#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uon h SER 3 N 0.00 0.12 0.45 -3.46 0.02 -1.96 0.13 113.55 108.85 1uon h SER 3 Ca 0.00 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 1uon h SER 3 Cb 0.00 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1uon h SER 3 CO 0.00 0.90 -0.21 -0.03 -1.14 0.00 0.00 176.83 176.35 1uon h MET 4 N 0.05 -0.58 -0.11 3.45 -1.53 -1.99 0.76 114.93 114.98 1uon h MET 4 Ca -0.02 0.04 -0.00 0.00 -3.44 0.00 0.00 59.70 56.27 1uon h MET 4 Cb 1.47 0.13 -0.01 0.00 -0.55 0.00 0.00 31.60 32.64 1uon h MET 4 CO 0.12 -0.36 0.06 0.82 0.14 0.00 0.00 176.91 177.69 1uon h ILE 5 N -0.64 1.08 -0.33 1.77 1.08 -1.95 -2.50 117.51 116.02 1uon h ILE 5 Ca -0.06 -0.22 0.07 0.00 -0.39 0.00 0.00 64.86 64.25 1uon h ILE 5 Cb 0.48 1.03 -0.06 0.00 -3.07 0.00 0.00 36.82 35.20 1uon h ILE 5 CO 0.10 0.07 -0.08 -0.07 -0.69 0.00 0.00 178.15 177.48 1uon h LEU 6 N 0.09 -0.30 0.24 1.44 3.38 -0.62 0.16 115.31 119.70 1uon h LEU 6 Ca 0.04 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1uon h LEU 6 Cb 0.06 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1uon h LEU 6 CO -0.01 -0.11 -0.13 0.74 0.09 0.00 0.00 178.44 179.03 1uon h THR 7 N 0.01 0.73 -0.46 0.22 2.02 -0.77 0.48 112.91 115.15 1uon h THR 7 Ca 0.16 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.28 1uon h THR 7 Cb 0.24 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 1uon h THR 7 CO -0.34 0.00 0.01 1.56 0.37 0.00 0.00 175.52 177.12 1uon h GLN 8 N -0.35 0.74 0.00 6.66 1.08 -1.19 -3.31 115.11 118.74 1uon h GLN 8 Ca -0.03 -0.18 0.00 0.00 -1.45 0.00 0.00 58.65 56.99 1uon h GLN 8 Cb 0.27 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 1uon h GLN 8 CO 0.04 0.74 -0.01 1.19 -0.95 0.00 0.00 178.83 179.84 1uon n PHE 9 N -4.23 0.00 0.00 2.96 3.72 0.02 -4.90 117.46 115.03 1uon n PHE 9 Ca 0.02 -0.57 0.00 0.00 -0.05 0.00 0.00 57.45 56.85 1uon n PHE 9 Cb 0.28 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 1uon n PHE 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1uon n GLY 10 N -0.67 -2.26 0.38 1.37 0.00 0.17 -0.37 105.19 103.80 1uon n GLY 10 Ca 0.04 0.46 0.17 0.00 0.00 0.00 0.00 46.02 46.68 1uon n GLY 10 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1uon h PRO 11 N 0.00 0.56 -0.29 1.61 0.11 -1.90 -1.54 132.00 130.56 1uon h PRO 11 Ca 0.00 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.98 1uon h PRO 11 Cb 0.00 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 30.98 1uon h PRO 11 CO 0.00 0.37 -0.19 0.35 -0.21 0.00 0.00 178.00 178.32 1uon h PHE 12 N 0.58 0.75 -0.44 0.65 3.57 -1.51 -1.99 116.94 118.55 1uon h PHE 12 Ca 0.53 -0.20 0.08 0.00 3.53 0.00 0.00 57.97 61.91 1uon h PHE 12 Cb 1.07 -0.17 -0.07 0.00 2.79 0.00 0.00 35.95 39.58 1uon h PHE 12 CO -0.00 0.90 0.03 0.82 -2.23 0.00 0.00 178.31 177.83 1uon h ILE 13 N 0.38 0.70 0.00 1.41 2.04 0.30 -0.34 117.51 122.00 1uon h ILE 13 Ca 0.06 -0.05 -0.06 0.00 1.00 0.00 0.00 64.86 65.81 1uon h ILE 13 Cb 0.73 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1uon h ILE 13 CO 0.05 0.03 -0.29 -0.33 0.00 0.00 0.00 178.15 177.61 1uon h GLU 14 N 0.15 0.00 0.00 2.37 5.08 -1.33 -2.52 114.58 118.32 1uon h GLU 14 Ca 0.22 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.50 1uon h GLU 14 Cb 0.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1uon h GLU 14 CO -0.33 0.29 -0.37 0.66 -1.00 0.00 0.00 179.01 178.25 1uon h SER 15 N 0.00 0.00 -0.48 1.42 4.64 -0.29 -1.34 113.55 117.50 1uon h SER 15 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1uon h SER 15 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1uon h SER 15 CO 0.04 0.37 0.00 2.30 -0.87 0.00 0.00 176.83 178.67 1uon n ILE 16 N -3.91 1.70 0.32 0.95 -5.35 -0.84 -4.22 119.36 108.00 1uon n ILE 16 Ca -0.01 -1.30 0.04 0.00 -0.27 0.00 0.00 62.75 61.20 1uon n ILE 16 Cb 0.43 0.15 0.03 0.00 -1.74 0.00 0.00 39.64 38.51 1uon n ILE 16 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1uon n SER 17 N 0.59 1.60 0.00 7.28 7.64 -1.04 -4.65 113.62 125.05 1uon n SER 17 Ca 0.21 -1.30 0.00 0.00 1.01 0.00 0.00 58.87 58.79 1uon n SER 17 Cb 0.76 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.99 1uon n SER 17 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uon n GLY 18 N 0.45 0.78 0.13 0.23 0.00 -1.22 -4.79 105.19 100.76 1uon n GLY 18 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 1uon n GLY 18 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1uon h ILE 19 N 0.00 1.11 -2.75 -0.61 2.04 -1.80 -3.42 117.51 112.07 1uon h ILE 19 Ca 0.00 -2.48 -0.47 0.00 1.00 0.00 0.00 64.86 62.90 1uon h ILE 19 Cb 0.00 2.84 -0.14 0.00 -0.74 0.00 0.00 36.82 38.78 1uon h ILE 19 CO 0.00 0.76 -0.68 0.28 0.00 0.00 0.00 178.15 178.51 1uon s THR 20 N -2.51 1.57 0.58 -0.27 -1.32 -0.53 -5.01 115.64 108.16 1uon s THR 20 Ca -0.17 -2.12 -0.18 0.00 -1.21 0.00 0.00 61.69 58.02 1uon s THR 20 Cb 0.04 -2.39 -0.04 0.00 -1.51 0.00 0.00 72.50 68.59 1uon s THR 20 CO 0.82 -0.33 1.10 -1.81 -2.21 0.00 0.00 174.62 172.18 1uon s ASP 21 N -3.41 5.64 0.21 8.08 1.11 -1.26 -4.24 116.67 122.80 1uon s ASP 21 Ca 0.29 2.03 -0.21 0.00 0.18 0.00 0.00 52.55 54.83 1uon s ASP 21 Cb 0.04 -2.56 -0.08 0.00 1.07 0.00 0.00 42.92 41.38 1uon s ASP 21 CO 0.11 -1.27 0.74 -1.10 1.18 0.00 0.00 175.17 174.83 1uon s GLN 22 N -3.64 4.33 -0.07 8.23 -0.21 0.42 -4.63 119.66 124.09 1uon s GLN 22 Ca 0.69 0.95 -0.08 0.00 0.02 0.00 0.00 55.36 56.94 1uon s GLN 22 Cb -0.20 -2.97 0.02 0.00 1.00 0.00 0.00 33.01 30.86 1uon s GLN 22 CO 0.32 0.43 0.21 -1.54 -2.12 0.00 0.00 175.29 172.59 1uon s SER 23 N -1.52 -0.20 0.43 5.90 1.04 -1.26 -4.78 113.70 113.31 1uon s SER 23 Ca 0.41 0.36 0.09 0.00 0.48 0.00 0.00 55.95 57.29 1uon s SER 23 Cb -0.18 0.41 0.94 0.00 0.10 0.00 0.00 66.02 67.29 1uon s SER 23 CO 0.22 -0.12 2.07 -1.13 0.98 0.00 0.00 173.24 175.27 1uon h ASN 24 N 5.58 0.37 -0.35 7.02 -1.24 -1.98 -0.87 115.58 124.11 1uon h ASN 24 Ca -0.26 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.74 1uon h ASN 24 Cb 1.19 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 40.14 1uon h ASN 24 CO 0.38 0.27 0.22 0.44 -1.29 0.00 0.00 177.43 177.45 1uon h ASP 25 N 0.43 0.40 -0.32 1.15 3.32 -1.96 0.15 116.42 119.59 1uon h ASP 25 Ca 0.12 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.02 1uon h ASP 25 Cb -0.04 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1uon h ASP 25 CO -0.02 0.31 -0.27 0.58 -1.72 0.00 0.00 179.24 178.11 1uon h VAL 26 N 0.46 1.29 -0.08 -1.35 2.07 -1.85 -2.66 116.25 114.14 1uon h VAL 26 Ca 0.13 -1.43 0.03 0.00 0.82 0.00 0.00 66.70 66.25 1uon h VAL 26 Cb -0.03 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1uon h VAL 26 CO -0.03 0.46 -0.12 0.15 0.02 0.00 0.00 177.57 178.06 1uon h PHE 27 N 0.51 -0.30 -0.15 1.57 3.57 -0.87 0.15 116.94 121.42 1uon h PHE 27 Ca 0.06 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 1uon h PHE 27 Cb 0.84 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 1uon h PHE 27 CO 0.07 -0.18 -0.19 0.93 -2.23 0.00 0.00 178.31 176.71 1uon h GLU 28 N -0.16 0.25 -0.36 1.11 5.08 -0.74 0.96 114.58 120.72 1uon h GLU 28 Ca 0.07 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 1uon h GLU 28 Cb 0.26 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1uon h GLU 28 CO -0.18 0.44 -0.36 -0.44 -1.00 0.00 0.00 179.01 177.47 1uon h ASP 29 N 0.24 0.95 -0.82 1.42 3.32 -1.05 0.09 116.42 120.56 1uon h ASP 29 Ca 0.04 -0.47 0.01 0.00 0.02 0.00 0.00 57.03 56.63 1uon h ASP 29 Cb 0.47 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 1uon h ASP 29 CO 0.03 1.22 0.54 0.00 -1.72 0.00 0.00 179.24 179.31 1uon h ALA 30 N 0.76 1.04 -0.04 3.45 0.00 0.06 0.16 119.26 124.69 1uon h ALA 30 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1uon h ALA 30 Cb 0.95 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1uon h ALA 30 CO 0.09 0.45 0.01 0.00 0.00 0.00 0.00 179.25 179.80 1uon h ALA 31 N 1.30 0.04 -0.99 0.00 0.00 -0.45 0.65 119.26 119.82 1uon h ALA 31 Ca 0.30 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.23 1uon h ALA 31 Cb -0.13 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 1uon h ALA 31 CO -0.06 -0.47 0.65 -0.22 0.00 0.00 0.00 179.25 179.14 1uon h LYS 32 N 0.03 1.27 -0.62 0.00 3.64 -0.48 -1.65 116.57 118.76 1uon h LYS 32 Ca 0.02 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.26 1uon h LYS 32 Cb 0.01 -0.29 -0.03 0.00 -0.41 0.00 0.00 32.23 31.52 1uon h LYS 32 CO -0.02 0.84 0.16 0.00 -2.27 0.00 0.00 179.45 178.16 1uon h ALA 33 N 1.40 1.11 -0.61 5.00 0.00 -0.07 -1.39 119.26 124.69 1uon h ALA 33 Ca 0.37 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1uon h ALA 33 Cb -0.11 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 1uon h ALA 33 CO -0.09 0.60 0.22 0.74 0.00 0.00 0.00 179.25 180.72 1uon h PHE 34 N 0.93 0.95 0.00 0.00 0.04 -0.08 -2.27 116.94 116.51 1uon h PHE 34 Ca 0.20 -0.08 -0.00 0.00 2.80 0.00 0.00 57.97 60.89 1uon h PHE 34 Cb 0.32 -0.28 -0.00 0.00 2.20 0.00 0.00 35.95 38.19 1uon h PHE 34 CO 0.02 0.77 -0.00 0.77 -0.60 0.00 0.00 178.31 179.27 1uon h SER 35 N 0.85 0.00 0.32 2.17 0.02 -0.97 -3.02 113.55 112.93 1uon h SER 35 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1uon h SER 35 Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1uon h SER 35 CO -0.01 0.00 -0.54 0.23 -1.14 0.00 0.00 176.83 175.37 1uon n MET 36 N -3.10 0.24 -2.47 3.45 2.81 -0.56 -4.85 117.12 112.65 1uon n MET 36 Ca 0.02 -0.16 -0.42 0.00 -1.81 0.00 0.00 57.70 55.33 1uon n MET 36 Cb 0.40 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.38 1uon n MET 36 CO 0.00 0.00 0.00 0.12 1.51 0.00 0.00 175.97 177.60 1uon s PHE 37 N -2.87 3.46 0.22 2.03 5.36 -0.88 -5.02 117.98 120.28 1uon s PHE 37 Ca 0.14 1.36 -0.10 0.00 -0.96 0.00 0.00 56.93 57.36 1uon s PHE 37 Cb 0.18 -3.37 -0.07 0.00 -0.34 0.00 0.00 43.02 39.41 1uon s PHE 37 CO 0.69 -1.08 0.55 0.95 -1.46 0.00 0.00 175.22 174.86 1uon s THR 38 N 1.11 4.92 0.18 0.12 -4.23 -1.26 -4.97 115.64 111.51 1uon s THR 38 Ca 0.58 0.51 -0.23 0.00 -1.18 0.00 0.00 61.69 61.37 1uon s THR 38 Cb -0.28 -3.63 0.09 0.00 1.34 0.00 0.00 72.50 70.02 1uon s THR 38 CO 0.29 -0.04 1.57 0.03 -0.54 0.00 0.00 174.62 175.93 1uon h ARG 39 N 2.65 -0.18 -0.23 3.99 3.08 -1.98 0.43 114.38 122.13 1uon h ARG 39 Ca -0.47 0.01 0.07 0.00 0.07 0.00 0.00 59.98 59.66 1uon h ARG 39 Cb 1.17 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 1uon h ARG 39 CO 0.69 -0.12 0.26 0.77 -1.07 0.00 0.00 179.97 180.50 1uon h SER 40 N -0.18 0.00 -0.06 7.04 0.02 -1.94 0.16 113.55 118.60 1uon h SER 40 Ca 0.21 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.05 1uon h SER 40 Cb 0.56 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 1uon h SER 40 CO -0.71 0.00 -0.33 0.44 -1.14 0.00 0.00 176.83 175.09 1uon h ASP 41 N 0.00 0.56 -0.78 3.07 3.32 -0.52 -1.33 116.42 120.74 1uon h ASP 41 Ca 0.11 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1uon h ASP 41 Cb 0.63 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.99 1uon h ASP 41 CO -0.00 0.86 0.50 0.58 -1.72 0.00 0.00 179.24 179.46 1uon h VAL 42 N 0.46 1.21 -0.27 -1.35 2.07 -0.48 0.24 116.25 118.12 1uon h VAL 42 Ca 0.05 -0.41 -0.17 0.00 0.82 0.00 0.00 66.70 67.00 1uon h VAL 42 Cb 0.80 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1uon h VAL 42 CO 0.07 0.21 -0.50 1.88 0.02 0.00 0.00 177.57 179.24 1uon h TYR 43 N 1.07 0.93 -0.53 1.57 0.05 -1.43 0.08 116.97 118.71 1uon h TYR 43 Ca 0.29 -0.31 -0.03 0.00 0.05 0.00 0.00 58.73 58.72 1uon h TYR 43 Cb -0.10 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 37.44 1uon h TYR 43 CO 0.00 1.10 0.19 0.87 -1.05 0.00 0.00 178.16 179.27 1uon h LYS 44 N 0.59 0.77 -0.41 4.88 1.57 -0.20 0.62 116.57 124.39 1uon h LYS 44 Ca 0.02 -0.12 -0.12 0.00 -1.87 0.00 0.00 60.65 58.56 1uon h LYS 44 Cb 1.07 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 1uon h LYS 44 CO 0.11 0.65 -0.23 0.00 -0.57 0.00 0.00 179.45 179.41 1uon h ALA 45 N 1.45 0.58 -0.53 3.86 0.00 -0.20 -2.78 119.26 121.64 1uon h ALA 45 Ca 0.18 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1uon h ALA 45 Cb 0.18 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1uon h ALA 45 CO -0.01 0.57 0.32 -0.07 0.00 0.00 0.00 179.25 180.05 1uon h LEU 46 N 0.70 0.63 -1.46 0.00 3.38 0.21 -1.52 115.31 117.26 1uon h LEU 46 Ca 0.09 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1uon h LEU 46 Cb 0.80 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1uon h LEU 46 CO 0.07 0.49 0.15 0.44 0.09 0.00 0.00 178.44 179.68 1uon h ASP 47 N 0.73 0.46 0.19 -0.43 3.32 -0.65 -2.43 116.42 117.61 1uon h ASP 47 Ca 0.19 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1uon h ASP 47 Cb -0.02 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.41 1uon h ASP 47 CO -0.04 0.42 0.00 -0.62 -1.72 0.00 0.00 179.24 177.28 1uon n GLU 48 N -4.40 0.12 -3.02 3.56 1.02 -0.57 -4.72 120.64 112.63 1uon n GLU 48 Ca 0.02 0.21 -0.41 0.00 -0.02 0.00 0.00 57.16 56.97 1uon n GLU 48 Cb 0.13 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.00 1uon n GLU 48 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1uon s ILE 49 N -2.61 4.96 -1.34 -3.67 1.01 -0.92 -3.88 121.20 114.74 1uon s ILE 49 Ca 0.08 1.36 -0.15 0.00 0.00 0.00 0.00 60.65 61.94 1uon s ILE 49 Cb 0.06 -4.02 -0.00 0.00 0.01 0.00 0.00 42.46 38.51 1uon s ILE 49 CO 0.14 0.06 2.22 -0.81 0.00 0.00 0.00 174.94 176.56 1uon n PRO 50 N 5.23 2.66 -1.66 2.79 -0.04 -1.26 -4.97 135.00 137.74 1uon n PRO 50 Ca 0.01 -2.43 -0.44 0.00 -0.04 0.00 0.00 63.50 60.61 1uon n PRO 50 Cb 0.49 -3.18 -0.01 0.00 -0.04 0.00 0.00 33.50 30.76 1uon n PRO 50 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1uon n PHE 51 N 6.14 1.98 -2.70 0.54 3.72 -1.26 -4.78 117.46 121.10 1uon n PHE 51 Ca 0.53 0.57 -0.31 0.00 -0.05 0.00 0.00 57.45 58.20 1uon n PHE 51 Cb 0.38 -2.38 -0.03 0.00 -0.94 0.00 0.00 39.48 36.51 1uon n PHE 51 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1uon s SER 52 N -0.25 6.53 0.52 4.37 0.15 0.23 -4.97 113.70 120.28 1uon s SER 52 Ca 0.59 1.25 0.19 0.00 0.70 0.00 0.00 55.95 58.68 1uon s SER 52 Cb -0.63 -2.37 1.35 0.00 -1.71 0.00 0.00 66.02 62.66 1uon s SER 52 CO 0.59 -0.47 2.14 0.44 1.20 0.00 0.00 173.24 177.15 1uon h ASP 53 N 1.09 0.00 0.64 5.45 3.32 -1.94 -1.45 116.42 123.53 1uon h ASP 53 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1uon h ASP 53 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1uon h ASP 53 CO 0.63 0.03 0.00 -2.24 -1.72 0.00 0.00 179.24 175.94 1uon h ASP 54 N 0.00 0.00 -0.18 6.45 3.04 -1.93 -1.95 116.42 121.85 1uon h ASP 54 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1uon h ASP 54 Cb 0.07 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.36 1uon h ASP 54 CO 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 179.24 177.20 1uon n ALA 55 N -1.93 2.51 -2.55 4.15 0.00 -0.54 -4.86 120.51 117.29 1uon n ALA 55 Ca 0.00 -0.50 -0.27 0.00 0.00 0.00 0.00 53.44 52.67 1uon n ALA 55 Cb 0.21 -1.08 -0.10 0.00 0.00 0.00 0.00 19.45 18.48 1uon n ALA 55 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1uon s MET 56 N -1.76 1.99 -0.10 0.00 -1.94 -0.73 -4.15 119.30 112.61 1uon s MET 56 Ca 0.30 -1.29 -0.27 0.00 -1.71 0.00 0.00 55.69 52.72 1uon s MET 56 Cb 0.16 -2.13 0.06 0.00 2.01 0.00 0.00 34.83 34.94 1uon s MET 56 CO 0.24 0.43 0.64 -0.48 -0.01 0.00 0.00 175.02 175.84 1uon s LEU 57 N -2.78 -0.47 -0.23 -0.03 2.34 -1.26 -5.05 118.68 111.20 1uon s LEU 57 Ca 0.24 0.82 -0.39 0.00 0.06 0.00 0.00 54.13 54.86 1uon s LEU 57 Cb -0.09 2.34 -0.15 0.00 -0.56 0.00 0.00 46.19 47.73 1uon s LEU 57 CO 0.14 -0.49 1.76 -2.65 -1.06 0.00 0.00 176.35 174.06 1uon n PRO 58 N 1.44 1.36 -3.52 1.48 -0.02 -1.26 -4.95 135.00 129.53 1uon n PRO 58 Ca -0.18 0.50 -0.38 0.00 -2.02 0.00 0.00 63.50 61.42 1uon n PRO 58 Cb 0.56 -2.22 -0.10 0.00 -0.02 0.00 0.00 33.50 31.73 1uon n PRO 58 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1uon s ILE 59 N 3.58 5.26 -0.09 4.25 1.01 -1.26 -5.04 121.20 128.92 1uon s ILE 59 Ca 0.97 0.35 -0.35 0.00 0.00 0.00 0.00 60.65 61.62 1uon s ILE 59 Cb -0.99 -3.60 -0.12 0.00 0.01 0.00 0.00 42.46 37.76 1uon s ILE 59 CO 0.62 0.23 1.84 -2.65 0.00 0.00 0.00 174.94 174.98 1uon n PRO 60 N 5.01 2.05 0.11 2.79 -0.02 -1.26 -4.90 135.00 138.78 1uon n PRO 60 Ca -0.12 0.75 0.03 0.00 -2.02 0.00 0.00 63.50 62.15 1uon n PRO 60 Cb 0.51 -2.57 0.43 0.00 -0.02 0.00 0.00 33.50 31.85 1uon n PRO 60 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1uon h PRO 61 N 8.67 0.29 0.00 0.52 0.11 -2.01 -2.40 132.00 137.18 1uon h PRO 61 Ca -0.48 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1uon h PRO 61 Cb 1.28 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1uon h PRO 61 CO 0.94 0.32 0.00 0.25 -0.21 0.00 0.00 178.00 179.31 1uon n THR 62 N -4.36 0.53 0.26 -1.15 -2.24 -1.26 -1.79 114.28 104.27 1uon n THR 62 Ca -0.00 0.13 0.15 0.00 -2.27 0.00 0.00 64.05 62.07 1uon n THR 62 Cb 0.19 -1.00 0.52 0.00 -2.10 0.00 0.00 70.33 67.95 1uon n THR 62 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1uon h ILE 63 N 0.00 0.03 0.00 2.28 2.04 -1.69 -3.30 117.51 116.87 1uon h ILE 63 Ca 0.00 -0.69 -0.35 0.00 1.00 0.00 0.00 64.86 64.82 1uon h ILE 63 Cb 0.05 1.67 -0.06 0.00 -0.74 0.00 0.00 36.82 37.74 1uon h ILE 63 CO 0.00 0.01 -2.31 -1.22 0.00 0.00 0.00 178.15 174.63 1uon n TYR 64 N -3.11 0.00 -3.26 1.37 4.01 -0.74 -4.79 117.16 110.65 1uon n TYR 64 Ca 0.02 0.00 -0.45 0.00 -0.16 0.00 0.00 57.90 57.30 1uon n TYR 64 Cb 0.38 -0.92 -0.05 0.00 -0.31 0.00 0.00 39.34 38.43 1uon n TYR 64 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1uon s THR 65 N -2.46 5.10 0.15 -0.72 -4.23 -1.24 -4.54 115.64 107.69 1uon s THR 65 Ca -0.17 -1.26 0.11 0.00 -1.18 0.00 0.00 61.69 59.19 1uon s THR 65 Cb 0.06 -4.35 -0.04 0.00 1.34 0.00 0.00 72.50 69.52 1uon s THR 65 CO 0.70 -0.89 -0.23 -0.54 -0.54 0.00 0.00 174.62 173.11 1uon s LYS 66 N 1.94 1.54 1.33 3.99 -0.14 -1.26 -4.86 119.74 122.29 1uon s LYS 66 Ca 0.06 -1.35 -0.22 0.00 -1.36 0.00 0.00 55.97 53.10 1uon s LYS 66 Cb -0.27 -1.94 0.34 0.00 -1.68 0.00 0.00 37.83 34.27 1uon s LYS 66 CO 0.05 0.44 1.02 -2.14 -0.76 0.00 0.00 175.35 173.96 1uon s PRO 67 N -2.27 -2.25 0.53 -1.68 0.02 -1.26 -3.78 135.00 124.31 1uon s PRO 67 Ca 0.17 -0.04 -0.17 0.00 0.02 0.00 0.00 61.00 60.98 1uon s PRO 67 Cb -0.10 -1.47 -0.07 0.00 0.02 0.00 0.00 34.50 32.88 1uon s PRO 67 CO 0.08 -4.39 1.00 0.45 -0.33 0.00 0.00 177.00 173.81 1uon s SER 68 N -3.60 6.46 0.34 2.53 0.15 -1.26 -1.23 113.70 117.07 1uon s SER 68 Ca 0.70 1.64 0.16 0.00 0.70 0.00 0.00 55.95 59.15 1uon s SER 68 Cb -0.10 -2.52 0.54 0.00 -1.71 0.00 0.00 66.02 62.24 1uon s SER 68 CO 0.57 -0.70 1.68 1.12 1.20 0.00 0.00 173.24 177.10 1uon h HIS 69 N 0.89 0.00 -1.19 3.44 2.07 -1.95 -3.36 115.15 115.06 1uon h HIS 69 Ca -0.47 0.00 0.34 0.00 -2.85 0.00 0.00 60.37 57.39 1uon h HIS 69 Cb 1.19 0.00 -0.09 0.00 2.57 0.00 0.00 27.41 31.09 1uon h HIS 69 CO 0.62 0.47 0.80 0.38 -3.07 0.00 0.00 177.93 177.13 1uon h ASP 70 N 0.00 0.25 0.62 3.10 2.03 -1.95 0.45 116.42 120.92 1uon h ASP 70 Ca -0.00 0.06 0.00 0.00 -0.73 0.00 0.00 57.03 56.36 1uon h ASP 70 Cb 0.99 0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.52 1uon h ASP 70 CO 0.06 0.00 -0.06 -1.54 -1.03 0.00 0.00 179.24 176.67 1uon n SER 71 N -4.47 0.15 -0.69 4.15 3.41 -1.26 -3.34 113.62 111.57 1uon n SER 71 Ca 0.29 -0.09 0.12 0.00 -0.26 0.00 0.00 58.87 58.92 1uon n SER 71 Cb 1.16 -0.25 0.35 0.00 -0.26 0.00 0.00 64.21 65.21 1uon n SER 71 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1uon n TYR 72 N -1.28 0.19 -4.27 7.33 4.01 0.15 -4.84 117.16 118.45 1uon n TYR 72 Ca 0.12 -0.10 -0.15 0.00 -0.16 0.00 0.00 57.90 57.61 1uon n TYR 72 Cb 0.28 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.21 1uon n TYR 72 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1uon s TYR 73 N -1.81 1.40 0.01 -0.72 2.02 -1.21 -0.11 117.35 116.93 1uon s TYR 73 Ca 0.34 -1.25 -0.29 0.00 -0.37 0.00 0.00 57.07 55.50 1uon s TYR 73 Cb 0.19 -0.78 0.10 0.00 -0.40 0.00 0.00 41.96 41.08 1uon s TYR 73 CO 0.29 -0.44 1.01 1.52 -1.57 0.00 0.00 175.55 176.37 1uon s TYR 74 N -3.90 -0.20 -0.22 2.71 -0.85 -0.38 -4.69 117.35 109.83 1uon s TYR 74 Ca 0.38 0.04 -0.10 0.00 -0.52 0.00 0.00 57.07 56.87 1uon s TYR 74 Cb 0.08 0.57 -0.05 0.00 0.38 0.00 0.00 41.96 42.93 1uon s TYR 74 CO 0.13 -0.54 0.13 0.42 -1.52 0.00 0.00 175.55 174.17 1uon s ILE 75 N -2.97 5.24 0.72 -3.49 -1.09 -1.26 -0.53 121.20 117.82 1uon s ILE 75 Ca 0.09 0.13 -0.07 0.00 -2.23 0.00 0.00 60.65 58.58 1uon s ILE 75 Cb -0.00 -3.41 0.16 0.00 -1.58 0.00 0.00 42.46 37.62 1uon s ILE 75 CO -0.04 0.40 0.98 -0.90 -1.23 0.00 0.00 174.94 174.15 1uon n ASP 76 N 3.91 0.66 0.18 3.58 5.68 -0.86 -4.91 116.55 124.79 1uon n ASP 76 Ca -0.16 -1.71 0.13 0.00 -0.50 0.00 0.00 54.79 52.56 1uon n ASP 76 Cb 0.52 -0.70 0.70 0.00 -1.14 0.00 0.00 41.12 40.51 1uon n ASP 76 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1uon h ALA 77 N -1.16 2.08 -0.53 2.12 0.00 -1.99 -0.24 119.26 119.54 1uon h ALA 77 Ca -0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1uon h ALA 77 Cb 1.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1uon h ALA 77 CO 0.28 -0.23 0.00 1.28 0.00 0.00 0.00 179.25 180.59 1uon n LEU 78 N -4.33 3.58 -0.34 0.00 4.77 -1.26 -4.92 117.00 114.50 1uon n LEU 78 Ca 0.01 -1.80 -0.04 0.00 -0.03 0.00 0.00 56.01 54.14 1uon n LEU 78 Cb 0.27 -0.47 -0.02 0.00 -2.33 0.00 0.00 43.42 40.87 1uon n LEU 78 CO 0.33 0.68 -0.04 -3.20 -1.33 0.00 0.00 177.39 173.83 1uon n ASN 79 N 0.93 -4.34 -4.81 -1.43 5.15 -0.10 -5.01 115.26 105.65 1uon n ASN 79 Ca 0.20 0.11 -0.36 0.00 -0.60 0.00 0.00 54.58 53.93 1uon n ASN 79 Cb 0.65 -2.24 -0.06 0.00 -0.53 0.00 0.00 39.78 37.60 1uon n ASN 79 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1uon s ARG 80 N -1.80 4.32 0.00 1.20 0.52 -1.26 -4.79 118.95 117.13 1uon s ARG 80 Ca 0.00 1.00 -0.30 0.00 -0.52 0.00 0.00 55.73 55.91 1uon s ARG 80 Cb 0.00 -2.73 -0.04 0.00 0.52 0.00 0.00 34.95 32.70 1uon s ARG 80 CO 0.00 0.29 1.11 0.08 0.02 0.00 0.00 175.30 176.80 1uon s VAL 81 N -1.67 4.43 0.17 3.52 1.01 -1.26 -2.02 120.40 124.58 1uon s VAL 81 Ca 0.48 1.74 0.07 0.00 0.00 0.00 0.00 61.98 64.27 1uon s VAL 81 Cb -0.16 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 1uon s VAL 81 CO 0.21 0.10 -0.14 -0.13 0.00 0.00 0.00 175.10 175.14 1uon s ARG 82 N 1.36 1.19 -0.08 2.72 1.81 0.31 -4.96 118.95 121.31 1uon s ARG 82 Ca 0.55 -1.47 -0.23 0.00 -1.72 0.00 0.00 55.73 52.86 1uon s ARG 82 Cb -0.25 -0.97 -0.04 0.00 -0.45 0.00 0.00 34.95 33.25 1uon s ARG 82 CO 0.26 0.16 0.69 0.50 -0.68 0.00 0.00 175.30 176.23 1uon s ARG 83 N -3.40 4.42 -0.27 3.54 6.06 -1.26 -1.25 118.95 126.78 1uon s ARG 83 Ca 0.18 0.85 -0.20 0.00 -2.50 0.00 0.00 55.73 54.06 1uon s ARG 83 Cb -0.01 -3.46 -0.02 0.00 0.06 0.00 0.00 34.95 31.53 1uon s ARG 83 CO 0.04 0.04 0.62 0.21 -2.50 0.00 0.00 175.30 173.72 1uon s LYS 84 N 0.88 4.03 0.41 5.12 2.36 0.84 -4.87 119.74 128.51 1uon s LYS 84 Ca 0.37 0.43 -0.25 0.00 -2.55 0.00 0.00 55.97 53.97 1uon s LYS 84 Cb -0.17 -3.68 -0.08 0.00 -1.05 0.00 0.00 37.83 32.84 1uon s LYS 84 CO 0.17 -0.47 1.18 0.99 1.55 0.00 0.00 175.35 178.78 1uon s THR 85 N 2.53 3.08 0.00 3.43 2.01 -1.26 -4.72 115.64 120.71 1uon s THR 85 Ca 0.25 0.90 0.00 0.00 0.31 0.00 0.00 61.69 63.15 1uon s THR 85 Cb -0.15 -3.50 0.00 0.00 0.01 0.00 0.00 72.50 68.86 1uon s THR 85 CO 0.10 0.07 0.00 -1.22 -0.69 0.00 0.00 174.62 172.88 1uon n TYR 86 N -0.03 0.00 -0.43 4.92 4.01 -1.26 -4.88 117.16 119.49 1uon n TYR 86 Ca 0.05 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.88 1uon n TYR 86 Cb 0.46 0.00 0.29 0.00 -0.31 0.00 0.00 39.34 39.78 1uon n TYR 86 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1uon n GLN 87 N -1.51 3.07 0.00 -0.72 1.13 -1.26 -5.06 117.38 113.02 1uon n GLN 87 Ca 0.00 -2.59 0.00 0.00 -1.94 0.00 0.00 57.00 52.47 1uon n GLN 87 Cb 0.02 -1.60 0.00 0.00 0.11 0.00 0.00 30.24 28.77 1uon n GLN 87 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1uon n GLY 88 N 1.09 3.03 0.21 1.08 0.00 -1.26 -4.78 105.19 104.56 1uon n GLY 88 Ca 0.21 -1.88 0.14 0.00 0.00 0.00 0.00 46.02 44.50 1uon n GLY 88 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1uon h PRO 89 N 0.00 0.00 0.00 1.61 0.11 -1.98 -1.32 132.00 130.42 1uon h PRO 89 Ca 0.00 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.90 1uon h PRO 89 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 1uon h PRO 89 CO 0.00 0.00 -1.03 -0.44 -0.21 0.00 0.00 178.00 176.32 1uon h ASP 90 N 0.00 0.00 0.00 -2.05 3.32 -2.03 -3.41 116.42 112.25 1uon h ASP 90 Ca 0.00 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.60 1uon h ASP 90 Cb 0.04 0.00 0.08 0.00 0.22 0.00 0.00 39.33 39.67 1uon h ASP 90 CO 0.00 0.97 1.60 -0.67 -1.72 0.00 0.00 179.24 179.43 1uon n ASP 91 N -3.32 1.47 0.00 6.45 2.03 -0.50 -4.13 116.55 118.56 1uon n ASP 91 Ca -0.01 -2.41 0.00 0.00 0.52 0.00 0.00 54.79 52.89 1uon n ASP 91 Cb 0.94 -0.69 0.00 0.00 -0.72 0.00 0.00 41.12 40.65 1uon n ASP 91 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1uon n VAL 92 N 6.07 0.00 -0.45 5.18 0.31 -1.26 -4.31 118.33 123.86 1uon n VAL 92 Ca 0.37 -0.45 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1uon n VAL 92 Cb 0.29 1.06 0.00 0.00 -0.91 0.00 0.00 33.84 34.28 1uon n VAL 92 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1uon n TYR 93 N -0.42 -2.04 -2.47 3.52 4.01 -1.26 -4.63 117.16 113.87 1uon n TYR 93 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 1uon n TYR 93 Cb 0.01 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.02 1uon n TYR 93 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1uon s VAL 94 N -0.54 4.27 0.49 -0.72 1.01 -1.25 -4.97 120.40 118.69 1uon s VAL 94 Ca 0.00 1.60 -0.15 0.00 0.00 0.00 0.00 61.98 63.43 1uon s VAL 94 Cb 0.00 -4.03 -0.07 0.00 0.00 0.00 0.00 36.38 32.28 1uon s VAL 94 CO 0.00 0.01 0.93 -2.16 0.00 0.00 0.00 175.10 173.88 1uon s PRO 95 N 2.12 3.90 -0.69 2.72 0.04 -1.26 -4.30 135.00 137.53 1uon s PRO 95 Ca 0.56 0.82 -0.25 0.00 0.04 0.00 0.00 61.00 62.17 1uon s PRO 95 Cb -0.25 -2.20 0.05 0.00 0.04 0.00 0.00 34.50 32.14 1uon s PRO 95 CO 0.22 -0.21 1.13 -0.80 0.04 0.00 0.00 177.00 177.38 1uon s ASN 96 N -3.11 6.18 0.27 6.66 0.01 0.16 -4.77 114.94 120.34 1uon s ASN 96 Ca 0.57 -0.65 0.03 0.00 -0.71 0.00 0.00 52.86 52.10 1uon s ASN 96 Cb -0.10 -2.50 -0.04 0.00 0.41 0.00 0.00 41.25 39.03 1uon s ASN 96 CO 0.32 -1.63 0.20 0.00 -1.51 0.00 0.00 177.10 174.47 1uon s SER 98 N -3.27 2.38 0.00 0.00 1.04 -0.37 -2.43 113.70 111.05 1uon s SER 98 Ca 0.40 1.09 0.00 0.00 0.48 0.00 0.00 55.95 57.92 1uon s SER 98 Cb 0.05 -1.71 0.00 0.00 0.10 0.00 0.00 66.02 64.45 1uon s SER 98 CO 0.20 -3.27 0.00 0.00 0.98 0.00 0.00 173.24 171.14 1uon n ILE 99 N -4.26 0.00 -0.29 -1.02 3.06 -1.26 -4.64 119.36 110.95 1uon n ILE 99 Ca 0.06 0.00 0.03 0.00 -2.50 0.00 0.00 62.75 60.34 1uon n ILE 99 Cb 0.58 0.01 0.23 0.00 0.54 0.00 0.00 39.64 41.00 1uon n ILE 99 CO 0.00 0.00 0.00 1.62 -2.50 0.00 0.00 176.55 175.67 1uon h VAL 100 N 0.00 1.10 0.00 9.51 3.04 -1.85 -1.69 116.25 126.35 1uon h VAL 100 Ca 0.00 -0.36 0.00 0.00 -1.01 0.00 0.00 66.70 65.33 1uon h VAL 100 Cb 0.00 -0.04 0.00 0.00 -2.01 0.00 0.00 31.29 29.24 1uon h VAL 100 CO 0.00 0.19 0.12 -1.84 -1.01 0.00 0.00 177.57 175.03 1uon n GLU 101 N -4.47 0.10 -0.36 4.17 0.00 -1.26 -1.09 120.64 117.73 1uon n GLU 101 Ca 0.13 0.57 0.08 0.00 0.00 0.00 0.00 57.16 57.94 1uon n GLU 101 Cb 0.16 -1.94 0.25 0.00 0.00 0.00 0.00 31.44 29.91 1uon n GLU 101 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1uon n LEU 102 N -2.03 3.69 -4.64 -1.84 4.77 -0.64 -5.01 117.00 111.31 1uon n LEU 102 Ca -0.01 -2.29 -0.27 0.00 -0.03 0.00 0.00 56.01 53.41 1uon n LEU 102 Cb 0.14 -0.41 -0.08 0.00 -2.33 0.00 0.00 43.42 40.74 1uon n LEU 102 CO 0.06 0.78 -0.36 -0.76 -1.33 0.00 0.00 177.39 175.79 1uon s LEU 103 N -1.52 3.25 -0.13 2.23 1.43 -0.25 -0.95 118.68 122.73 1uon s LEU 103 Ca 0.37 -0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 53.06 1uon s LEU 103 Cb 0.23 -1.93 -0.02 0.00 0.03 0.00 0.00 46.19 44.49 1uon s LEU 103 CO 0.19 0.11 -0.09 -1.61 0.23 0.00 0.00 176.35 175.19 1uon s GLU 104 N -2.74 3.42 0.54 1.70 2.02 0.39 -4.73 118.70 119.29 1uon s GLU 104 Ca 0.26 -0.61 -0.20 0.00 0.02 0.00 0.00 54.97 54.44 1uon s GLU 104 Cb -0.10 -2.73 -0.07 0.00 0.10 0.00 0.00 34.13 31.33 1uon s GLU 104 CO 0.17 0.27 0.95 -2.30 0.02 0.00 0.00 175.26 174.38 1uon n PRO 105 N 3.38 1.04 -3.05 0.39 -0.02 -1.26 -2.53 135.00 132.95 1uon n PRO 105 Ca -0.18 0.39 -0.39 0.00 -2.02 0.00 0.00 63.50 61.30 1uon n PRO 105 Cb 0.53 -2.10 -0.06 0.00 -0.02 0.00 0.00 33.50 31.85 1uon n PRO 105 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1uon s HIS 106 N -1.46 3.81 -0.57 6.00 2.46 0.61 -4.84 115.29 121.31 1uon s HIS 106 Ca 0.71 1.48 -0.27 0.00 0.47 0.00 0.00 55.06 57.45 1uon s HIS 106 Cb -0.46 -2.73 -0.02 0.00 -0.13 0.00 0.00 32.58 29.25 1uon s HIS 106 CO 0.51 0.43 1.79 -1.83 -2.47 0.00 0.00 174.74 173.16 1uon s GLU 107 N -0.67 2.82 0.00 2.88 1.03 -1.26 -2.75 118.70 120.75 1uon s GLU 107 Ca 0.35 0.69 0.00 0.00 0.03 0.00 0.00 54.97 56.04 1uon s GLU 107 Cb -0.21 -4.32 0.00 0.00 -0.80 0.00 0.00 34.13 28.79 1uon s GLU 107 CO 0.23 -2.50 0.00 2.41 -1.33 0.00 0.00 175.26 174.07 1uon n THR 108 N 7.18 0.00 -2.24 1.83 -1.04 -1.26 -4.91 114.28 113.84 1uon n THR 108 Ca 0.19 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.81 1uon n THR 108 Cb 0.51 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 69.03 1uon n THR 108 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1uon n LEU 109 N 0.00 7.47 -0.36 -4.42 4.77 -1.16 -4.83 117.00 118.48 1uon n LEU 109 Ca 0.00 -5.04 0.35 0.00 -0.03 0.00 0.00 56.01 51.29 1uon n LEU 109 Cb 0.00 -1.20 0.54 0.00 -2.33 0.00 0.00 43.42 40.43 1uon n LEU 109 CO 0.00 1.97 1.32 0.35 -1.33 0.00 0.00 177.39 179.69 1uon n THR 110 N 0.35 0.00 0.96 -5.08 -2.24 -1.11 0.12 114.28 107.27 1uon n THR 110 Ca 0.52 1.32 0.13 0.00 -2.27 0.00 0.00 64.05 63.75 1uon n THR 110 Cb 0.28 -2.31 0.42 0.00 -2.10 0.00 0.00 70.33 66.63 1uon n THR 110 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1uon n SER 111 N -3.42 0.29 -4.59 3.42 7.64 -1.26 -4.56 113.62 111.14 1uon n SER 111 Ca 0.29 0.16 -0.28 0.00 1.01 0.00 0.00 58.87 60.05 1uon n SER 111 Cb 1.67 -0.15 -0.09 0.00 -1.01 0.00 0.00 64.21 64.62 1uon n SER 111 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1uon s TYR 112 N -3.01 2.72 0.06 1.43 2.02 0.32 0.10 117.35 120.99 1uon s TYR 112 Ca 0.12 -0.18 -0.08 0.00 -0.37 0.00 0.00 57.07 56.56 1uon s TYR 112 Cb 0.18 -1.36 -0.00 0.00 -0.40 0.00 0.00 41.96 40.37 1uon s TYR 112 CO 0.62 0.48 0.18 0.20 -1.57 0.00 0.00 175.55 175.45 1uon s GLY 113 N -2.61 0.09 0.41 0.71 0.00 0.27 -0.28 107.32 105.90 1uon s GLY 113 Ca 0.24 -0.48 0.07 0.00 0.00 0.00 0.00 44.72 44.55 1uon s GLY 113 CO 0.15 -0.66 0.19 -1.60 0.00 0.00 0.00 173.10 171.19 1uon s ARG 114 N -3.18 2.24 0.20 2.90 3.52 -1.05 -1.22 118.95 122.37 1uon s ARG 114 Ca -0.00 -1.82 -0.32 0.00 -0.13 0.00 0.00 55.73 53.45 1uon s ARG 114 Cb 0.02 -2.01 -0.12 0.00 -1.56 0.00 0.00 34.95 31.28 1uon s ARG 114 CO -0.07 -0.12 1.74 -0.11 -0.81 0.00 0.00 175.30 175.93 1uon n LEU 115 N -1.26 4.04 -4.64 -0.88 7.94 -1.26 -0.47 117.00 120.47 1uon n LEU 115 Ca -0.01 1.05 -0.54 0.00 -1.11 0.00 0.00 56.01 55.40 1uon n LEU 115 Cb 0.64 -1.58 -0.06 0.00 0.53 0.00 0.00 43.42 42.95 1uon n LEU 115 CO 0.46 0.20 1.09 -0.24 -1.11 0.00 0.00 177.39 177.79 1uon n SER 116 N 4.17 1.98 0.22 1.96 2.88 -0.12 -4.69 113.62 120.02 1uon n SER 116 Ca 0.16 1.10 0.05 0.00 -1.33 0.00 0.00 58.87 58.85 1uon n SER 116 Cb 0.35 -1.17 0.51 0.00 -0.75 0.00 0.00 64.21 63.15 1uon n SER 116 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1uon h GLU 117 N 5.75 0.03 -0.34 -1.46 4.81 -1.92 -1.83 114.58 119.62 1uon h GLU 117 Ca -0.47 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1uon h GLU 117 Cb 1.33 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.69 1uon h GLU 117 CO 0.86 0.17 0.20 0.00 -0.73 0.00 0.00 179.01 179.51 1uon h ALA 118 N 1.83 0.43 -0.82 2.92 0.00 -1.99 -1.60 119.26 120.03 1uon h ALA 118 Ca 0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1uon h ALA 118 Cb 0.27 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1uon h ALA 118 CO 0.02 -0.06 0.49 0.82 0.00 0.00 0.00 179.25 180.51 1uon h ILE 119 N 0.43 1.23 -0.48 0.00 2.04 -1.70 -1.56 117.51 117.47 1uon h ILE 119 Ca 0.12 -0.52 -0.09 0.00 1.00 0.00 0.00 64.86 65.37 1uon h ILE 119 Cb 0.02 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.18 1uon h ILE 119 CO -0.02 0.24 -0.08 -0.33 0.00 0.00 0.00 178.15 177.97 1uon h GLU 120 N 1.13 0.84 -0.43 2.37 5.08 -1.27 -0.39 114.58 121.91 1uon h GLU 120 Ca 0.29 -0.27 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 1uon h GLU 120 Cb -0.03 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1uon h GLU 120 CO -0.05 0.89 -0.07 -0.91 -1.00 0.00 0.00 179.01 177.87 1uon h ASN 121 N 0.77 0.72 -0.21 1.42 -0.26 -0.85 0.37 115.58 117.54 1uon h ASN 121 Ca 0.13 -0.20 -0.11 0.00 -0.56 0.00 0.00 56.30 55.56 1uon h ASN 121 Cb 0.57 -0.19 -0.00 0.00 -1.06 0.00 0.00 38.32 37.64 1uon h ASN 121 CO 0.03 0.84 -0.31 0.03 -1.06 0.00 0.00 177.43 176.96 1uon h ARG 122 N 0.68 0.58 -0.99 0.81 3.08 -1.08 -1.03 114.38 116.43 1uon h ARG 122 Ca 0.12 -0.34 0.04 0.00 0.07 0.00 0.00 59.98 59.87 1uon h ARG 122 Cb 0.52 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.55 1uon h ARG 122 CO 0.03 0.95 0.65 0.00 -1.07 0.00 0.00 179.97 180.52 1uon h ALA 123 N 0.62 1.36 0.00 0.04 0.00 -0.58 0.69 119.26 121.39 1uon h ALA 123 Ca 0.02 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1uon h ALA 123 Cb 0.89 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1uon h ALA 123 CO 0.07 0.54 -0.53 0.87 0.00 0.00 0.00 179.25 180.20 1uon h LYS 124 N 1.25 0.00 0.00 0.00 1.57 -0.13 -1.91 116.57 117.35 1uon h LYS 124 Ca 0.39 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.07 1uon h LYS 124 Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1uon h LYS 124 CO -0.12 0.53 -0.49 -0.44 -0.57 0.00 0.00 179.45 178.36 1uon h ASP 125 N 0.00 0.00 0.00 0.86 5.19 0.33 -3.47 116.42 119.33 1uon h ASP 125 Ca -0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1uon h ASP 125 Cb 1.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.51 1uon h ASP 125 CO 0.07 0.49 0.00 0.61 -3.12 0.00 0.00 179.24 177.29 1uon n GLY 126 N -0.02 1.35 3.69 2.75 0.00 0.05 -5.09 105.19 107.92 1uon n GLY 126 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1uon n GLY 126 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1uon s ASP 127 N -1.77 6.70 0.13 1.61 2.15 -0.66 -4.92 116.67 119.92 1uon s ASP 127 Ca 0.00 2.31 -0.22 0.00 0.43 0.00 0.00 52.55 55.08 1uon s ASP 127 Cb 0.00 -2.56 -0.02 0.00 -0.30 0.00 0.00 42.92 40.05 1uon s ASP 127 CO 0.00 -0.83 1.67 0.28 -0.17 0.00 0.00 175.17 176.12 1uon h SER 128 N 8.29 -0.43 -0.67 -0.34 0.02 -1.93 0.15 113.55 118.63 1uon h SER 128 Ca -0.40 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 1uon h SER 128 Cb 1.19 0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.91 1uon h SER 128 CO 0.92 -0.18 0.44 -0.61 -1.14 0.00 0.00 176.83 176.26 1uon h GLN 129 N -0.15 0.89 -0.33 3.45 4.15 -1.99 -0.90 115.11 120.24 1uon h GLN 129 Ca 0.10 -0.06 -0.15 0.00 0.77 0.00 0.00 58.65 59.31 1uon h GLN 129 Cb 0.30 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 1uon h GLN 129 CO -0.25 0.60 -0.39 0.00 -1.93 0.00 0.00 178.83 176.86 1uon h ALA 130 N 1.57 0.68 -0.02 3.38 0.00 -1.74 -2.25 119.26 120.88 1uon h ALA 130 Ca 0.25 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1uon h ALA 130 Cb -0.09 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1uon h ALA 130 CO -0.05 0.67 -0.00 0.00 0.00 0.00 0.00 179.25 179.86 1uon h ARG 131 N 0.65 0.04 -0.58 0.00 3.08 -0.47 -0.25 114.38 116.85 1uon h ARG 131 Ca 0.05 -0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.21 1uon h ARG 131 Cb 0.95 -0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.90 1uon h ARG 131 CO 0.09 0.35 0.03 0.82 -1.07 0.00 0.00 179.97 180.19 1uon h ILE 132 N -0.28 0.55 -0.60 2.04 1.08 -1.13 0.14 117.51 119.31 1uon h ILE 132 Ca 0.01 -0.05 -0.09 0.00 -0.39 0.00 0.00 64.86 64.33 1uon h ILE 132 Cb 0.34 0.39 -0.02 0.00 -3.07 0.00 0.00 36.82 34.46 1uon h ILE 132 CO 0.00 0.03 0.01 0.00 -0.69 0.00 0.00 178.15 177.50 1uon h ALA 133 N 1.51 0.88 -0.22 1.87 0.00 -1.29 -1.72 119.26 120.30 1uon h ALA 133 Ca 0.30 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1uon h ALA 133 Cb 0.48 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1uon h ALA 133 CO -0.47 0.66 -0.01 1.15 0.00 0.00 0.00 179.25 180.58 1uon h THR 134 N 0.96 1.26 0.07 0.00 2.02 0.12 -0.51 112.91 116.83 1uon h THR 134 Ca 0.17 -0.91 0.02 0.00 0.77 0.00 0.00 66.41 66.46 1uon h THR 134 Cb 0.54 1.43 -0.03 0.00 -1.74 0.00 0.00 68.15 68.34 1uon h THR 134 CO 0.03 0.28 -0.23 0.74 0.37 0.00 0.00 175.52 176.71 1uon h THR 135 N 0.15 0.47 -0.33 3.16 2.02 -0.67 0.20 112.91 117.92 1uon h THR 135 Ca 0.06 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.30 1uon h THR 135 Cb 0.42 0.47 -0.06 0.00 -1.74 0.00 0.00 68.15 67.24 1uon h THR 135 CO 0.01 0.00 -0.04 0.22 0.37 0.00 0.00 175.52 176.09 1uon h TYR 136 N -0.41 -0.09 -0.77 3.16 3.20 -1.27 -0.86 116.97 119.95 1uon h TYR 136 Ca 0.04 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.94 1uon h TYR 136 Cb 0.45 0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.77 1uon h TYR 136 CO -0.24 -0.10 0.51 0.78 -1.64 0.00 0.00 178.16 177.47 1uon h GLY 137 N 0.05 1.08 1.95 1.82 0.00 -0.44 -0.14 103.07 107.38 1uon h GLY 137 Ca 0.16 -0.40 -0.13 0.00 0.00 0.00 0.00 47.33 46.96 1uon h GLY 137 CO -0.30 0.40 -0.60 3.21 0.00 0.00 0.00 176.54 179.25 1uon h ARG 138 N 1.04 0.05 0.01 4.80 3.08 -0.24 -1.74 114.38 121.38 1uon h ARG 138 Ca 0.28 -0.03 -0.25 0.00 0.07 0.00 0.00 59.98 60.05 1uon h ARG 138 Cb -0.12 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 1uon h ARG 138 CO -0.06 0.63 -1.32 0.97 -1.07 0.00 0.00 179.97 179.12 1uon h ILE 139 N 0.04 1.33 -0.22 2.04 6.09 -0.96 -1.42 117.51 124.41 1uon h ILE 139 Ca -0.01 -3.09 -0.14 0.00 -1.37 0.00 0.00 64.86 60.25 1uon h ILE 139 Cb 1.07 2.68 -0.01 0.00 0.47 0.00 0.00 36.82 41.03 1uon h ILE 139 CO 0.08 0.78 -0.45 0.00 -3.07 0.00 0.00 178.15 175.48 1uon h ALA 140 N 0.95 0.79 -0.27 0.18 0.00 -1.00 -0.04 119.26 119.88 1uon h ALA 140 Ca -0.14 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.27 1uon h ALA 140 Cb 1.89 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 1uon h ALA 140 CO 0.11 0.66 0.01 1.49 0.00 0.00 0.00 179.25 181.53 1uon h GLU 141 N 0.45 0.48 -0.79 0.00 4.81 -1.31 -2.62 114.58 115.60 1uon h GLU 141 Ca 0.03 -0.15 0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1uon h GLU 141 Cb 0.97 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.25 1uon h GLU 141 CO 0.09 0.63 0.49 1.03 -0.73 0.00 0.00 179.01 180.51 1uon h SER 142 N 0.27 0.78 -0.76 1.04 0.87 -0.98 -1.35 113.55 113.43 1uon h SER 142 Ca 0.08 0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.70 1uon h SER 142 Cb 0.40 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 62.17 1uon h SER 142 CO 0.01 0.51 0.50 -0.61 -0.53 0.00 0.00 176.83 176.71 1uon h GLN 143 N 0.92 0.85 0.00 2.24 4.15 -0.73 -1.30 115.11 121.24 1uon h GLN 143 Ca 0.34 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.71 1uon h GLN 143 Cb 0.11 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.61 1uon h GLN 143 CO -0.15 0.56 0.00 0.00 -1.93 0.00 0.00 178.83 177.31 1uon n ALA 144 N -2.43 2.30 1.06 3.38 0.00 -0.55 -3.41 120.51 120.87 1uon n ALA 144 Ca 0.10 -0.11 0.12 0.00 0.00 0.00 0.00 53.44 53.55 1uon n ALA 144 Cb 0.16 -1.45 0.20 0.00 0.00 0.00 0.00 19.45 18.36 1uon n ALA 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1uon n ARG 145 N -1.42 0.32 -0.27 0.00 1.74 -0.49 -4.55 116.66 111.99 1uon n ARG 145 Ca 0.09 -0.21 -0.01 0.00 -0.77 0.00 0.00 57.85 56.95 1uon n ARG 145 Cb 0.28 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.22 1uon n ARG 145 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1uon n GLN 146 N -1.16 0.53 -4.23 5.56 1.13 -1.22 -4.73 117.38 113.27 1uon n GLN 146 Ca 0.07 -0.05 -0.13 0.00 -1.94 0.00 0.00 57.00 54.95 1uon n GLN 146 Cb 0.35 -1.31 -0.10 0.00 0.11 0.00 0.00 30.24 29.29 1uon n GLN 146 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 1uon s ILE 147 N 1.13 0.94 0.15 5.09 -4.36 -1.22 -1.25 121.20 121.68 1uon s ILE 147 Ca 0.03 -2.01 -0.01 0.00 -0.26 0.00 0.00 60.65 58.40 1uon s ILE 147 Cb 0.02 -1.86 -0.17 0.00 1.25 0.00 0.00 42.46 41.70 1uon s ILE 147 CO 0.00 -0.73 1.34 0.11 0.24 0.00 0.00 174.94 175.90 1uon h LYS 148 N 2.81 0.32 -2.49 0.37 1.57 -0.87 -3.40 116.57 114.88 1uon h LYS 148 Ca -0.36 -0.35 0.16 0.00 -1.87 0.00 0.00 60.65 58.23 1uon h LYS 148 Cb 1.19 0.10 -0.05 0.00 0.08 0.00 0.00 32.23 33.55 1uon h LYS 148 CO 0.64 1.04 0.54 0.00 -0.57 0.00 0.00 179.45 181.10 1uon s ALA 149 N -3.26 -1.56 0.28 3.86 0.00 -1.26 -5.06 121.76 114.76 1uon s ALA 149 Ca -0.05 -0.22 -0.29 0.00 0.00 0.00 0.00 51.96 51.40 1uon s ALA 149 Cb 0.09 0.71 -0.13 0.00 0.00 0.00 0.00 23.12 23.79 1uon s ALA 149 CO 0.85 -1.05 1.21 -2.30 0.00 0.00 0.00 175.76 174.47 1uon n PRO 150 N -0.62 1.74 -0.34 0.00 -0.02 -1.26 -4.86 135.00 129.64 1uon n PRO 150 Ca -0.04 0.62 0.03 0.00 -2.02 0.00 0.00 63.50 62.08 1uon n PRO 150 Cb 0.60 -2.14 0.20 0.00 -0.02 0.00 0.00 33.50 32.15 1uon n PRO 150 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1uon h LEU 151 N 2.87 0.99 -1.91 2.45 3.38 -1.97 -2.65 115.31 118.47 1uon h LEU 151 Ca -0.43 0.01 0.24 0.00 0.09 0.00 0.00 57.88 57.79 1uon h LEU 151 Cb 1.31 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 1uon h LEU 151 CO 0.66 0.63 0.62 -0.33 0.09 0.00 0.00 178.44 180.11 1uon h GLU 152 N 1.12 0.07 -0.28 1.13 3.07 -1.98 -0.38 114.58 117.33 1uon h GLU 152 Ca 0.42 -0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.21 1uon h GLU 152 Cb 0.19 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 1uon h GLU 152 CO -0.16 0.05 -0.09 0.87 -1.40 0.00 0.00 179.01 178.28 1uon h LYS 153 N 0.07 0.55 -0.49 2.33 1.57 -1.84 -0.16 116.57 118.61 1uon h LYS 153 Ca 0.43 -0.22 -0.07 0.00 -1.87 0.00 0.00 60.65 58.92 1uon h LYS 153 Cb 1.58 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.84 1uon h LYS 153 CO -0.04 0.77 0.03 0.74 -0.57 0.00 0.00 179.45 180.37 1uon h PHE 154 N 0.30 0.83 -0.09 -1.35 0.04 -1.22 -0.74 116.94 114.71 1uon h PHE 154 Ca 0.07 -0.11 -0.02 0.00 2.80 0.00 0.00 57.97 60.71 1uon h PHE 154 Cb 0.57 -0.23 -0.00 0.00 2.20 0.00 0.00 35.95 38.49 1uon h PHE 154 CO 0.05 0.76 -0.04 0.28 -0.60 0.00 0.00 178.31 178.77 1uon h VAL 155 N 0.74 1.31 -0.32 -0.55 2.07 -1.28 -1.11 116.25 117.12 1uon h VAL 155 Ca 0.15 -1.02 0.03 0.00 0.82 0.00 0.00 66.70 66.69 1uon h VAL 155 Cb 0.41 1.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 1uon h VAL 155 CO 0.01 0.29 0.12 0.25 0.02 0.00 0.00 177.57 178.26 1uon h LEU 156 N -0.16 0.15 -0.43 2.57 5.85 -0.84 0.75 115.31 123.19 1uon h LEU 156 Ca 0.02 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.85 1uon h LEU 156 Cb 0.47 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.44 1uon h LEU 156 CO 0.01 0.12 -0.01 0.00 -0.34 0.00 0.00 178.44 178.22 1uon h ALA 157 N 1.20 0.39 -0.68 1.25 0.00 -1.06 -0.08 119.26 120.27 1uon h ALA 157 Ca 0.14 0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1uon h ALA 157 Cb 0.10 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1uon h ALA 157 CO -0.13 -0.40 0.43 1.25 0.00 0.00 0.00 179.25 180.39 1uon h LEU 158 N 0.09 0.70 -0.15 0.00 5.85 0.17 -0.65 115.31 121.33 1uon h LEU 158 Ca 0.21 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.94 1uon h LEU 158 Cb 0.31 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1uon h LEU 158 CO -0.37 0.49 0.08 -0.07 -0.34 0.00 0.00 178.44 178.23 1uon h LEU 159 N 0.84 0.13 -0.36 2.25 3.38 0.31 -0.26 115.31 121.60 1uon h LEU 159 Ca 0.27 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.25 1uon h LEU 159 Cb 0.02 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1uon h LEU 159 CO -0.11 0.10 0.23 0.58 0.09 0.00 0.00 178.44 179.33 1uon h VAL 160 N 0.17 1.07 -0.19 1.22 2.07 -0.72 -1.40 116.25 118.48 1uon h VAL 160 Ca 0.06 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1uon h VAL 160 Cb -0.00 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1uon h VAL 160 CO -0.03 0.08 0.04 0.00 0.02 0.00 0.00 177.57 177.68 1uon h ALA 161 N 1.14 0.25 0.00 1.67 0.00 -0.95 -2.92 119.26 118.45 1uon h ALA 161 Ca 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1uon h ALA 161 Cb -0.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1uon h ALA 161 CO -0.04 -0.10 0.00 0.39 0.00 0.00 0.00 179.25 179.50 1uon n GLU 162 N -4.77 0.20 0.20 0.00 -0.58 -0.13 -2.48 120.64 113.07 1uon n GLU 162 Ca -0.04 0.38 0.14 0.00 -0.42 0.00 0.00 57.16 57.22 1uon n GLU 162 Cb 0.18 -1.84 0.65 0.00 -0.57 0.00 0.00 31.44 29.86 1uon n GLU 162 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1uon h ALA 163 N 2.32 1.00 0.00 0.62 0.00 -1.04 -2.55 119.26 119.61 1uon h ALA 163 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1uon h ALA 163 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1uon h ALA 163 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1uon n GLY 164 N -0.48 -1.41 7.00 0.00 0.00 -1.04 -5.03 105.19 104.23 1uon n GLY 164 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1uon n GLY 164 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uon n GLY 165 N 1.04 -2.04 3.75 -0.02 0.00 -0.96 -4.87 105.19 102.09 1uon n GLY 165 Ca 0.06 -1.41 -0.37 0.00 0.00 0.00 0.00 46.02 44.30 1uon n GLY 165 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1uon s SER 166 N -4.00 5.19 -0.11 1.61 0.01 -1.26 -4.98 113.70 110.16 1uon s SER 166 Ca 0.00 2.54 -0.04 0.00 1.31 0.00 0.00 55.95 59.76 1uon s SER 166 Cb 0.00 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 1uon s SER 166 CO 0.00 -1.61 0.06 -0.76 0.41 0.00 0.00 173.24 171.34 1uon s LEU 167 N -3.86 3.93 -0.26 2.44 2.01 -1.26 -4.90 118.68 116.78 1uon s LEU 167 Ca 0.75 0.28 -0.26 0.00 0.01 0.00 0.00 54.13 54.91 1uon s LEU 167 Cb -0.35 -1.93 0.00 0.00 0.01 0.00 0.00 46.19 43.92 1uon s LEU 167 CO 0.39 0.38 0.89 -0.47 1.01 0.00 0.00 176.35 178.55 1uon s TYR 168 N -0.87 3.28 -0.15 0.29 5.04 -1.26 -1.75 117.35 121.93 1uon s TYR 168 Ca 0.13 1.17 -0.29 0.00 -2.44 0.00 0.00 57.07 55.64 1uon s TYR 168 Cb -0.12 -3.19 -0.02 0.00 0.35 0.00 0.00 41.96 38.99 1uon s TYR 168 CO 0.03 -0.48 1.24 0.34 -1.34 0.00 0.00 175.55 175.33 1uon s ASP 169 N 1.38 6.97 0.36 4.32 -1.08 -0.46 -4.92 116.67 123.24 1uon s ASP 169 Ca 0.38 1.69 0.06 0.00 -0.52 0.00 0.00 52.55 54.16 1uon s ASP 169 Cb -0.15 -2.54 0.68 0.00 -1.46 0.00 0.00 42.92 39.45 1uon s ASP 169 CO 0.09 -0.72 1.90 -0.65 0.52 0.00 0.00 175.17 176.30 1uon h PRO 170 N 8.02 0.43 0.00 4.34 0.11 -1.89 0.10 132.00 143.11 1uon h PRO 170 Ca -0.27 -0.09 -0.01 0.00 0.11 0.00 0.00 66.00 65.73 1uon h PRO 170 Cb 1.11 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1uon h PRO 170 CO 0.95 0.48 -0.09 0.28 -0.21 0.00 0.00 178.00 179.41 1uon h VAL 171 N 0.41 1.18 0.00 3.15 2.07 -1.95 -3.36 116.25 117.76 1uon h VAL 171 Ca 0.09 -1.92 -0.01 0.00 0.82 0.00 0.00 66.70 65.68 1uon h VAL 171 Cb 0.32 2.26 -0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1uon h VAL 171 CO 0.01 0.40 -0.05 -0.07 0.02 0.00 0.00 177.57 177.88 1uon h LEU 172 N -1.00 0.00 -1.12 2.57 3.38 -1.97 -3.47 115.31 113.70 1uon h LEU 172 Ca -0.02 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.58 1uon h LEU 172 Cb 0.72 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.61 1uon h LEU 172 CO -0.01 0.05 -0.68 0.00 0.09 0.00 0.00 178.44 177.88 1uon n GLN 173 N -3.16 -7.29 -3.48 1.13 6.02 0.02 -5.01 117.38 105.61 1uon n GLN 173 Ca 0.01 0.81 -0.12 0.00 -0.01 0.00 0.00 57.00 57.68 1uon n GLN 173 Cb 0.35 -5.76 -0.03 0.00 1.02 0.00 0.00 30.24 25.82 1uon n GLN 173 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 1uon s LYS 174 N -5.96 1.20 0.36 -1.09 -2.85 -1.24 -4.97 119.74 105.19 1uon s LYS 174 Ca 0.39 -0.42 -0.24 0.00 -1.00 0.00 0.00 55.97 54.69 1uon s LYS 174 Cb -0.17 0.55 -0.10 0.00 -2.06 0.00 0.00 37.83 36.05 1uon s LYS 174 CO 0.70 -0.50 0.95 0.71 0.10 0.00 0.00 175.35 177.32 1uon s TYR 175 N -3.39 3.56 0.80 1.78 2.02 -1.26 -1.36 117.35 119.50 1uon s TYR 175 Ca -0.00 1.72 -0.11 0.00 -0.37 0.00 0.00 57.07 58.31 1uon s TYR 175 Cb -0.00 -2.90 0.07 0.00 -0.40 0.00 0.00 41.96 38.72 1uon s TYR 175 CO -0.10 0.08 1.09 0.16 -1.57 0.00 0.00 175.55 175.22 1uon s ASP 176 N -1.80 4.29 -0.47 2.29 1.47 -0.72 -4.93 116.67 116.81 1uon s ASP 176 Ca 0.54 1.67 0.04 0.00 1.18 0.00 0.00 52.55 55.99 1uon s ASP 176 Cb -0.16 -2.39 0.43 0.00 -0.34 0.00 0.00 42.92 40.47 1uon s ASP 176 CO 0.20 -2.15 1.39 -0.62 0.68 0.00 0.00 175.17 174.68 1uon n GLU 177 N -3.58 3.31 -2.79 2.11 1.02 -1.26 -4.72 120.64 114.72 1uon n GLU 177 Ca 0.08 -4.07 -0.42 0.00 -0.02 0.00 0.00 57.16 52.73 1uon n GLU 177 Cb 0.54 -2.27 -0.03 0.00 -0.02 0.00 0.00 31.44 29.66 1uon n GLU 177 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1uon s ILE 178 N -5.01 4.82 0.30 -3.67 1.01 -1.26 -5.00 121.20 112.39 1uon s ILE 178 Ca 0.52 1.81 -0.29 0.00 0.00 0.00 0.00 60.65 62.69 1uon s ILE 178 Cb 0.42 -4.21 -0.13 0.00 0.01 0.00 0.00 42.46 38.55 1uon s ILE 178 CO -0.10 -0.02 1.29 -2.65 0.00 0.00 0.00 174.94 173.46 1uon n PRO 179 N 5.40 2.00 -1.41 2.79 -0.02 -1.26 -4.94 135.00 137.54 1uon n PRO 179 Ca 0.07 0.70 -0.29 0.00 -2.02 0.00 0.00 63.50 61.96 1uon n PRO 179 Cb 0.48 -2.28 0.17 0.00 -0.02 0.00 0.00 33.50 31.85 1uon n PRO 179 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 1uon s ASP 180 N -0.15 2.87 0.63 2.55 3.84 -1.26 -4.86 116.67 120.29 1uon s ASP 180 Ca 0.60 0.90 0.28 0.00 -0.00 0.00 0.00 52.55 54.33 1uon s ASP 180 Cb -0.61 -1.41 1.50 0.00 -1.38 0.00 0.00 42.92 41.02 1uon s ASP 180 CO 0.58 -2.95 1.88 -0.07 -0.00 0.00 0.00 175.17 174.61 1uon h LEU 181 N -1.77 0.00 0.00 2.11 3.38 -1.93 -0.01 115.31 117.09 1uon h LEU 181 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1uon h LEU 181 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1uon h LEU 181 CO 0.55 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.54 1uon n SER 182 N -3.26 0.00 -0.17 -0.43 3.41 -1.26 -1.18 113.62 110.72 1uon n SER 182 Ca 0.03 0.07 0.02 0.00 -0.26 0.00 0.00 58.87 58.73 1uon n SER 182 Cb 0.54 -0.25 0.03 0.00 -0.26 0.00 0.00 64.21 64.26 1uon n SER 182 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1uon n HIS 183 N -1.25 0.06 -2.68 7.33 8.25 -0.02 0.76 115.22 127.67 1uon n HIS 183 Ca 0.06 -0.21 -0.42 0.00 -0.26 0.00 0.00 57.72 56.89 1uon n HIS 183 Cb 0.08 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.14 1uon n HIS 183 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1uon s ASN 184 N -0.60 6.22 0.19 0.41 3.84 -0.32 -4.54 114.94 120.14 1uon s ASN 184 Ca 0.06 -0.53 -0.10 0.00 0.21 0.00 0.00 52.86 52.49 1uon s ASN 184 Cb 0.03 -2.50 0.11 0.00 -0.55 0.00 0.00 41.25 38.34 1uon s ASN 184 CO 0.05 -1.61 1.75 0.00 -2.79 0.00 0.00 177.10 174.50 1uon h PRO 186 N 0.97 0.32 -0.55 0.00 0.11 -1.86 -1.68 132.00 129.31 1uon h PRO 186 Ca 0.23 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.33 1uon h PRO 186 Cb 0.22 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.23 1uon h PRO 186 CO -0.02 0.21 0.35 -0.07 -0.21 0.00 0.00 178.00 178.26 1uon h LEU 187 N 0.32 0.59 -0.16 2.35 3.38 -1.78 -0.57 115.31 119.44 1uon h LEU 187 Ca 0.17 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.17 1uon h LEU 187 Cb 0.13 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 1uon h LEU 187 CO -0.16 0.42 -0.10 -0.25 0.09 0.00 0.00 178.44 178.44 1uon h TRP 188 N 0.70 -0.24 -0.48 1.13 7.01 -1.16 0.36 115.95 123.27 1uon h TRP 188 Ca 0.21 0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.27 1uon h TRP 188 Cb -0.04 0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 27.11 1uon h TRP 188 CO -0.05 -0.15 0.24 0.00 -2.79 0.00 0.00 178.44 175.69 1uon h PHE 190 N 0.47 0.06 -0.26 0.00 3.57 -0.40 0.20 116.94 120.58 1uon h PHE 190 Ca 0.21 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.71 1uon h PHE 190 Cb 0.12 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1uon h PHE 190 CO -0.10 -0.01 0.08 -0.09 -2.23 0.00 0.00 178.31 175.96 1uon h ARG 191 N 0.14 0.40 0.04 1.11 2.43 -0.39 -2.37 114.38 115.74 1uon h ARG 191 Ca 0.15 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1uon h ARG 191 Cb 0.18 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1uon h ARG 191 CO -0.22 0.46 -0.02 0.93 -1.51 0.00 0.00 179.97 179.61 1uon h GLU 192 N 0.25 -0.05 -0.38 0.20 4.39 -0.66 0.14 114.58 118.47 1uon h GLU 192 Ca 0.08 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.82 1uon h GLU 192 Cb 0.23 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 1uon h GLU 192 CO -0.00 0.11 0.18 0.82 -1.16 0.00 0.00 179.01 178.96 1uon h ILE 193 N -0.21 0.96 -0.37 3.13 2.04 -0.65 0.14 117.51 122.55 1uon h ILE 193 Ca -0.01 -0.13 -0.10 0.00 1.00 0.00 0.00 64.86 65.63 1uon h ILE 193 Cb 0.19 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1uon h ILE 193 CO 0.01 0.07 -0.14 0.00 0.00 0.00 0.00 178.15 178.08 1uon h ARG 195 N 0.55 0.90 -0.25 0.00 2.43 -0.35 0.35 114.38 118.01 1uon h ARG 195 Ca 0.09 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 1uon h ARG 195 Cb 0.68 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 1uon h ARG 195 CO 0.05 0.64 -0.03 1.25 -1.51 0.00 0.00 179.97 180.37 1uon h HIS 196 N 0.90 0.39 0.04 2.20 2.76 -0.61 0.99 115.15 121.83 1uon h HIS 196 Ca 0.24 -0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.37 1uon h HIS 196 Cb -0.03 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 28.81 1uon h HIS 196 CO -0.02 0.42 -0.02 0.82 -1.30 0.00 0.00 177.93 177.83 1uon h ILE 197 N 0.37 1.36 -0.08 6.26 2.04 -0.44 -3.27 117.51 123.75 1uon h ILE 197 Ca 0.08 -1.58 -0.03 0.00 1.00 0.00 0.00 64.86 64.33 1uon h ILE 197 Cb 0.29 2.36 -0.01 0.00 -0.74 0.00 0.00 36.82 38.73 1uon h ILE 197 CO 0.01 0.38 -0.10 0.77 0.00 0.00 0.00 178.15 179.21 1uon h SER 198 N -0.79 0.11 0.00 1.72 4.64 -0.81 -3.45 113.55 114.97 1uon h SER 198 Ca -0.01 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1uon h SER 198 Cb 0.67 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1uon h SER 198 CO 0.01 0.23 0.00 0.61 -0.87 0.00 0.00 176.83 176.81 1uon n GLY 199 N -1.09 3.34 0.00 -0.77 0.00 0.33 -0.33 105.19 106.67 1uon n GLY 199 Ca -0.02 0.21 0.13 0.00 0.00 0.00 0.00 46.02 46.34 1uon n GLY 199 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uon n PRO 200 N 14.00 0.05 -1.96 1.61 -0.04 -1.26 -4.88 135.00 142.52 1uon n PRO 200 Ca 0.00 0.03 -0.41 0.00 -0.04 0.00 0.00 63.50 63.08 1uon n PRO 200 Cb 0.00 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 1uon n PRO 200 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1uon s LEU 201 N -2.95 4.38 0.50 1.53 1.43 0.55 -4.90 118.68 119.21 1uon s LEU 201 Ca 0.15 2.81 0.22 0.00 -1.03 0.00 0.00 54.13 56.28 1uon s LEU 201 Cb 0.18 -3.64 1.29 0.00 0.03 0.00 0.00 46.19 44.05 1uon s LEU 201 CO 0.49 -0.73 2.05 -0.65 0.23 0.00 0.00 176.35 177.74 1uon h PRO 202 N 4.04 0.00 -5.77 1.29 0.11 -1.89 -3.41 132.00 126.36 1uon h PRO 202 Ca -0.48 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.03 1uon h PRO 202 Cb 1.23 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.25 1uon h PRO 202 CO 0.71 0.14 0.42 -0.51 -0.21 0.00 0.00 178.00 178.55 1uon s ASP 203 N -6.48 6.81 0.07 -2.05 1.01 -1.26 -4.95 116.67 109.82 1uon s ASP 203 Ca -0.03 1.01 0.24 0.00 0.71 0.00 0.00 52.55 54.48 1uon s ASP 203 Cb 0.14 -2.42 0.33 0.00 1.01 0.00 0.00 42.92 41.97 1uon s ASP 203 CO 0.63 -0.48 1.28 0.54 0.21 0.00 0.00 175.17 177.35 1uon n ARG 204 N 5.84 0.21 -2.89 8.23 5.12 -1.26 -4.77 116.66 127.14 1uon n ARG 204 Ca 0.05 0.04 -0.41 0.00 -1.93 0.00 0.00 57.85 55.60 1uon n ARG 204 Cb 0.48 -1.61 -0.04 0.00 -1.16 0.00 0.00 32.46 30.13 1uon n ARG 204 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1uon s ALA 205 N -3.13 3.35 0.35 7.54 0.00 -1.26 -4.74 121.76 123.87 1uon s ALA 205 Ca 0.07 0.22 0.30 0.00 0.00 0.00 0.00 51.96 52.55 1uon s ALA 205 Cb 0.15 -3.17 1.46 0.00 0.00 0.00 0.00 23.12 21.56 1uon s ALA 205 CO 0.73 -0.34 2.05 -1.35 0.00 0.00 0.00 175.76 176.86 1uon h PRO 206 N 6.97 0.00 -2.36 0.00 0.11 -1.90 -3.42 132.00 131.40 1uon h PRO 206 Ca -0.37 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.85 1uon h PRO 206 Cb 1.18 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.15 1uon h PRO 206 CO 0.79 0.10 0.47 1.52 -0.21 0.00 0.00 178.00 180.67 1uon s TYR 207 N -4.02 -0.32 -0.15 0.65 -0.85 -1.26 -1.50 117.35 109.90 1uon s TYR 207 Ca -0.02 0.15 0.01 0.00 -0.52 0.00 0.00 57.07 56.69 1uon s TYR 207 Cb 0.12 0.56 0.02 0.00 0.38 0.00 0.00 41.96 43.04 1uon s TYR 207 CO 0.57 -0.62 -0.17 -0.51 -1.52 0.00 0.00 175.55 173.29 1uon s LEU 208 N -2.59 1.86 -0.45 -3.49 1.43 -0.25 -4.95 118.68 110.25 1uon s LEU 208 Ca 0.06 -0.53 -0.26 0.00 -1.03 0.00 0.00 54.13 52.37 1uon s LEU 208 Cb -0.01 -1.27 0.03 0.00 0.03 0.00 0.00 46.19 44.96 1uon s LEU 208 CO -0.07 -0.00 0.95 -0.47 0.23 0.00 0.00 176.35 176.98 1uon s TYR 209 N 1.22 2.94 0.00 0.29 5.04 -1.26 -2.47 117.35 123.10 1uon s TYR 209 Ca 0.00 0.48 0.00 0.00 -2.44 0.00 0.00 57.07 55.11 1uon s TYR 209 Cb -0.14 -3.97 0.00 0.00 0.35 0.00 0.00 41.96 38.21 1uon s TYR 209 CO -0.08 -1.07 0.00 1.28 -1.34 0.00 0.00 175.55 174.34 1uon n LEU 210 N 7.17 0.00 -0.12 6.97 7.99 -1.23 -4.66 117.00 133.12 1uon n LEU 210 Ca 0.07 0.00 -0.17 0.00 -0.01 0.00 0.00 56.01 55.90 1uon n LEU 210 Cb 0.48 0.00 -0.11 0.00 -0.11 0.00 0.00 43.42 43.68 1uon n LEU 210 CO 0.64 0.00 -1.30 -1.54 -1.51 0.00 0.00 177.39 173.68 1uon n SER 211 N -0.68 2.10 0.00 -1.43 3.41 -1.26 -4.21 113.62 111.55 1uon n SER 211 Ca 0.00 -0.12 0.08 0.00 -0.26 0.00 0.00 58.87 58.57 1uon n SER 211 Cb 0.00 -0.40 0.47 0.00 -0.26 0.00 0.00 64.21 64.03 1uon n SER 211 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uon n ALA 212 N -3.24 2.08 0.00 7.33 0.00 -1.26 -4.88 120.51 120.54 1uon n ALA 212 Ca -0.43 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1uon n ALA 212 Cb 0.96 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 19.14 1uon n ALA 212 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uon n GLY 213 N 0.02 2.70 3.77 0.00 0.00 -1.26 -5.06 105.19 105.37 1uon n GLY 213 Ca 0.12 -2.09 -0.38 0.00 0.00 0.00 0.00 46.02 43.67 1uon n GLY 213 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uon s VAL 214 N -2.29 3.91 -0.04 1.61 1.01 -1.26 -3.55 120.40 119.80 1uon s VAL 214 Ca 0.00 1.65 0.04 0.00 0.00 0.00 0.00 61.98 63.67 1uon s VAL 214 Cb 0.00 -3.94 -0.00 0.00 0.00 0.00 0.00 36.38 32.44 1uon s VAL 214 CO 0.00 0.19 -0.14 -0.36 0.00 0.00 0.00 175.10 174.78 1uon s PHE 215 N -1.49 1.46 -0.10 5.22 0.08 -1.03 -4.76 117.98 117.35 1uon s PHE 215 Ca 0.50 -0.40 -0.06 0.00 0.12 0.00 0.00 56.93 57.09 1uon s PHE 215 Cb -0.23 -0.99 -0.04 0.00 -0.57 0.00 0.00 43.02 41.19 1uon s PHE 215 CO 0.29 -0.14 0.12 -1.58 -0.10 0.00 0.00 175.22 173.81 1uon s TRP 216 N 0.09 3.52 0.15 0.36 0.52 -0.35 -1.09 118.94 122.14 1uon s TRP 216 Ca -0.04 0.46 -0.31 0.00 0.02 0.00 0.00 56.10 56.23 1uon s TRP 216 Cb -0.11 -1.90 -0.10 0.00 -1.15 0.00 0.00 33.47 30.21 1uon s TRP 216 CO 0.02 0.69 1.65 -1.17 0.02 0.00 0.00 176.95 178.15 1uon s LEU 217 N -1.10 4.37 -0.84 2.99 2.96 -0.56 -0.57 118.68 125.94 1uon s LEU 217 Ca 0.16 2.66 -0.14 0.00 -0.22 0.00 0.00 54.13 56.59 1uon s LEU 217 Cb -0.12 -3.59 -0.10 0.00 0.50 0.00 0.00 46.19 42.88 1uon s LEU 217 CO 0.05 -0.89 2.00 0.23 -1.32 0.00 0.00 176.35 176.43 1uon n MET 218 N 4.50 1.78 -5.19 1.98 2.81 0.29 -4.83 117.12 118.46 1uon n MET 218 Ca 0.15 -1.65 -0.30 0.00 -1.81 0.00 0.00 57.70 54.09 1uon n MET 218 Cb 0.38 -2.68 -0.16 0.00 -0.71 0.00 0.00 33.22 30.05 1uon n MET 218 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1uon s SER 219 N 4.20 2.88 0.00 7.83 0.15 -1.26 -5.01 113.70 122.50 1uon s SER 219 Ca 0.48 -0.47 0.09 0.00 0.70 0.00 0.00 55.95 56.75 1uon s SER 219 Cb 0.12 -0.71 0.46 0.00 -1.71 0.00 0.00 66.02 64.18 1uon s SER 219 CO 0.04 0.24 1.21 -0.81 1.20 0.00 0.00 173.24 175.12 1uon n PRO 220 N 2.89 0.10 0.00 5.44 -0.04 -1.26 -1.65 135.00 140.48 1uon n PRO 220 Ca -0.17 0.23 0.10 0.00 -0.04 0.00 0.00 63.50 63.62 1uon n PRO 220 Cb 0.52 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.45 1uon n PRO 220 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1uon n ARG 221 N -1.34 1.10 -2.58 0.54 1.74 -1.26 -4.86 116.66 110.00 1uon n ARG 221 Ca 0.04 -0.78 -0.35 0.00 -0.77 0.00 0.00 57.85 55.99 1uon n ARG 221 Cb 0.08 -1.45 -0.04 0.00 -1.02 0.00 0.00 32.46 30.04 1uon n ARG 221 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 1uon s MET 222 N -2.49 3.97 0.08 5.56 1.75 -0.66 -4.62 119.30 122.91 1uon s MET 222 Ca 0.16 1.38 0.01 0.00 -1.25 0.00 0.00 55.69 55.98 1uon s MET 222 Cb 0.17 -2.25 -0.04 0.00 2.84 0.00 0.00 34.83 35.55 1uon s MET 222 CO 0.60 -0.29 -0.05 0.99 -0.65 0.00 0.00 175.02 175.62 1uon s THR 223 N -1.90 0.53 -0.30 10.11 2.01 -1.26 -4.32 115.64 120.51 1uon s THR 223 Ca 0.64 -1.85 0.26 0.00 0.31 0.00 0.00 61.69 61.04 1uon s THR 223 Cb -0.17 -1.57 0.28 0.00 0.01 0.00 0.00 72.50 71.04 1uon s THR 223 CO 0.21 -0.89 1.78 0.77 -0.69 0.00 0.00 174.62 175.80 1uon h SER 224 N 3.10 0.00 0.73 3.53 4.64 -1.77 -2.57 113.55 121.21 1uon h SER 224 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 1uon h SER 224 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1uon h SER 224 CO 0.64 0.00 -0.50 0.00 -0.87 0.00 0.00 176.83 176.10 1uon n ALA 225 N -1.85 3.13 -0.10 5.18 0.00 -1.26 -4.37 120.51 121.24 1uon n ALA 225 Ca 0.01 -0.27 -0.10 0.00 0.00 0.00 0.00 53.44 53.08 1uon n ALA 225 Cb 0.22 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 1uon n ALA 225 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1uon h ILE 226 N 0.00 1.21 -0.32 0.00 1.08 -1.83 -2.48 117.51 115.18 1uon h ILE 226 Ca 0.00 -0.70 0.06 0.00 -0.39 0.00 0.00 64.86 63.83 1uon h ILE 226 Cb 0.61 1.10 -0.06 0.00 -3.07 0.00 0.00 36.82 35.41 1uon h ILE 226 CO 0.00 0.23 -0.06 -0.65 -0.69 0.00 0.00 178.15 176.98 1uon h PRO 227 N 0.32 0.02 -0.30 2.37 0.11 -1.79 0.74 132.00 133.48 1uon h PRO 227 Ca 0.09 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.20 1uon h PRO 227 Cb 0.27 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 1uon h PRO 227 CO -0.00 0.01 0.17 -1.35 -0.21 0.00 0.00 178.00 176.62 1uon h PRO 228 N 0.02 0.41 -0.32 1.05 0.11 -1.83 -0.73 132.00 130.71 1uon h PRO 228 Ca 0.15 -0.05 0.06 0.00 0.11 0.00 0.00 66.00 66.28 1uon h PRO 228 Cb 0.23 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 31.20 1uon h PRO 228 CO -0.31 0.35 -0.02 1.25 -0.21 0.00 0.00 178.00 179.05 1uon h LEU 229 N 0.36 -0.18 -1.08 2.35 5.85 -1.06 -1.12 115.31 120.43 1uon h LEU 229 Ca 0.10 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 1uon h LEU 229 Cb 0.05 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1uon h LEU 229 CO -0.02 -0.05 -0.11 -0.07 -0.34 0.00 0.00 178.44 177.85 1uon h LEU 230 N 0.06 0.50 -0.92 2.25 3.38 -0.67 -1.96 115.31 117.95 1uon h LEU 230 Ca 0.16 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 1uon h LEU 230 Cb 0.22 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1uon h LEU 230 CO -0.28 0.65 -0.27 0.77 0.09 0.00 0.00 178.44 179.40 1uon h SER 231 N 0.48 0.48 -0.32 -0.43 4.64 -0.40 -1.38 113.55 116.62 1uon h SER 231 Ca 0.09 -0.17 -0.14 0.00 -0.47 0.00 0.00 61.79 61.10 1uon h SER 231 Cb 0.49 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1uon h SER 231 CO 0.03 0.74 -0.36 0.44 -0.87 0.00 0.00 176.83 176.81 1uon h ASP 232 N 0.42 0.87 -0.71 4.97 3.32 -0.85 -2.90 116.42 121.53 1uon h ASP 232 Ca 0.06 -0.48 -0.01 0.00 0.02 0.00 0.00 57.03 56.62 1uon h ASP 232 Cb 0.69 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 1uon h ASP 232 CO 0.05 1.17 0.40 -0.07 -1.72 0.00 0.00 179.24 179.08 1uon h LEU 233 N 0.58 0.88 -0.23 1.55 3.38 -1.09 -1.38 115.31 119.01 1uon h LEU 233 Ca 0.05 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1uon h LEU 233 Cb 0.94 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 1uon h LEU 233 CO 0.09 0.72 0.08 0.58 0.09 0.00 0.00 178.44 180.00 1uon h VAL 234 N 0.98 1.18 -0.22 1.22 2.07 -1.24 0.12 116.25 120.36 1uon h VAL 234 Ca 0.25 -0.55 0.04 0.00 0.82 0.00 0.00 66.70 67.27 1uon h VAL 234 Cb 0.02 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1uon h VAL 234 CO -0.04 0.18 -0.02 0.78 0.02 0.00 0.00 177.57 178.48 1uon h ASN 235 N 0.21 -0.14 -0.96 0.57 2.35 -1.31 0.12 115.58 116.41 1uon h ASN 235 Ca 0.07 0.06 0.03 0.00 -0.55 0.00 0.00 56.30 55.91 1uon h ASN 235 Cb 0.20 0.11 -0.05 0.00 0.05 0.00 0.00 38.32 38.62 1uon h ASN 235 CO -0.00 -0.04 0.63 -0.07 -1.65 0.00 0.00 177.43 176.30 1uon h LEU 236 N 0.04 1.07 -0.08 1.61 3.38 -1.03 0.46 115.31 120.75 1uon h LEU 236 Ca 0.10 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1uon h LEU 236 Cb 0.14 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1uon h LEU 236 CO -0.19 0.74 0.05 0.00 0.09 0.00 0.00 178.44 179.13 1uon h ALA 237 N 1.43 0.10 -0.08 1.53 0.00 0.26 -0.12 119.26 122.39 1uon h ALA 237 Ca 0.37 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 1uon h ALA 237 Cb -0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1uon h ALA 237 CO -0.11 -0.39 0.04 0.82 0.00 0.00 0.00 179.25 179.60 1uon h ILE 238 N 0.09 1.11 -0.59 0.00 1.08 -0.49 -3.09 117.51 115.63 1uon h ILE 238 Ca 0.03 -0.33 -0.00 0.00 -0.39 0.00 0.00 64.86 64.16 1uon h ILE 238 Cb 0.01 1.20 -0.03 0.00 -3.07 0.00 0.00 36.82 34.93 1uon h ILE 238 CO -0.01 0.10 0.35 -0.07 -0.69 0.00 0.00 178.15 177.83 1uon h LEU 239 N -0.01 0.70 -1.40 1.44 3.38 -0.81 0.34 115.31 118.95 1uon h LEU 239 Ca 0.03 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1uon h LEU 239 Cb 0.12 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1uon h LEU 239 CO -0.00 0.54 0.03 -0.61 0.09 0.00 0.00 178.44 178.49 1uon h GLN 240 N 0.81 0.42 0.01 1.13 4.15 -0.94 0.35 115.11 121.05 1uon h GLN 240 Ca 0.21 -0.07 -0.26 0.00 0.77 0.00 0.00 58.65 59.30 1uon h GLN 240 Cb -0.02 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.56 1uon h GLN 240 CO -0.04 0.43 -1.41 1.96 -1.93 0.00 0.00 178.83 177.85 1uon h GLN 241 N 0.42 0.03 0.00 1.69 1.08 -1.28 -3.14 115.11 113.90 1uon h GLN 241 Ca 0.10 -0.05 -0.07 0.00 -1.45 0.00 0.00 58.65 57.19 1uon h GLN 241 Cb 0.23 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 1uon h GLN 241 CO 0.00 0.77 -1.93 0.25 -0.95 0.00 0.00 178.83 176.97 1uon n THR 242 N -3.21 0.25 0.79 -0.54 -2.24 0.03 -4.20 114.28 105.16 1uon n THR 242 Ca -0.10 -0.50 0.09 0.00 -2.27 0.00 0.00 64.05 61.28 1uon n THR 242 Cb 1.01 -0.06 0.06 0.00 -2.10 0.00 0.00 70.33 69.24 1uon n THR 242 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1uon n ALA 243 N -2.26 2.64 -2.69 6.98 0.00 0.12 -1.15 120.51 124.15 1uon n ALA 243 Ca -0.09 -0.63 -0.21 0.00 0.00 0.00 0.00 53.44 52.51 1uon n ALA 243 Cb 0.61 -0.64 0.01 0.00 0.00 0.00 0.00 19.45 19.43 1uon n ALA 243 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uon n GLY 244 N 1.10 -0.51 3.67 0.00 0.00 -1.17 -4.70 105.19 103.57 1uon n GLY 244 Ca 0.10 0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1uon n GLY 244 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uon n LEU 245 N -3.46 4.88 -4.66 0.99 4.77 -1.19 -4.91 117.00 113.42 1uon n LEU 245 Ca -0.18 0.81 -0.42 0.00 -0.03 0.00 0.00 56.01 56.18 1uon n LEU 245 Cb 0.65 -1.47 -0.03 0.00 -2.33 0.00 0.00 43.42 40.24 1uon n LEU 245 CO 0.37 -1.46 1.35 -0.62 -1.33 0.00 0.00 177.39 175.70 1uon s ASP 246 N -1.34 6.69 0.24 -1.43 -1.08 -1.26 -4.86 116.67 113.64 1uon s ASP 246 Ca 0.80 2.21 -0.05 0.00 -0.52 0.00 0.00 52.55 54.99 1uon s ASP 246 Cb -0.39 -2.54 0.37 0.00 -1.46 0.00 0.00 42.92 38.90 1uon s ASP 246 CO 0.43 -0.91 1.83 -0.65 0.52 0.00 0.00 175.17 176.40 1uon h PRO 247 N 9.38 0.87 -0.70 4.34 0.11 -1.94 -1.78 132.00 142.28 1uon h PRO 247 Ca -0.39 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.69 1uon h PRO 247 Cb 1.17 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 32.05 1uon h PRO 247 CO 0.95 0.58 0.46 0.66 -0.21 0.00 0.00 178.00 180.45 1uon h SER 248 N 0.90 0.77 -0.07 -2.05 4.64 -1.96 -1.17 113.55 114.61 1uon h SER 248 Ca 0.39 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.67 1uon h SER 248 Cb 0.26 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1uon h SER 248 CO -0.21 0.55 -0.07 -0.07 -0.87 0.00 0.00 176.83 176.16 1uon h LEU 249 N 0.91 0.18 -0.93 5.97 3.38 -1.78 -3.17 115.31 119.85 1uon h LEU 249 Ca 0.27 -0.49 0.19 0.00 0.09 0.00 0.00 57.88 57.93 1uon h LEU 249 Cb -0.03 -0.05 -0.11 0.00 0.09 0.00 0.00 40.66 40.56 1uon h LEU 249 CO -0.07 0.63 0.51 0.58 0.09 0.00 0.00 178.44 180.19 1uon h VAL 250 N -0.27 0.66 -0.64 1.22 2.07 -0.69 0.36 116.25 118.95 1uon h VAL 250 Ca 0.01 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1uon h VAL 250 Cb 0.58 -0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 1uon h VAL 250 CO 0.02 0.12 0.42 0.11 0.02 0.00 0.00 177.57 178.25 1uon h LYS 251 N 0.64 0.85 -0.96 1.57 1.57 -1.22 0.36 116.57 119.38 1uon h LYS 251 Ca 0.54 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 59.29 1uon h LYS 251 Cb 0.87 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 32.94 1uon h LYS 251 CO -0.41 0.57 0.63 -0.07 -0.57 0.00 0.00 179.45 179.61 1uon h LEU 252 N 0.88 1.08 -0.97 2.94 3.38 -0.28 -0.31 115.31 122.02 1uon h LEU 252 Ca 0.24 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 58.09 1uon h LEU 252 Cb -0.09 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.39 1uon h LEU 252 CO -0.05 0.76 -0.24 1.23 0.09 0.00 0.00 178.44 180.23 1uon h GLY 253 N 1.26 0.50 1.05 0.83 0.00 -0.55 -2.53 103.07 103.62 1uon h GLY 253 Ca 0.37 -0.40 -0.12 0.00 0.00 0.00 0.00 47.33 47.18 1uon h GLY 253 CO -0.10 0.36 -0.21 -2.08 0.00 0.00 0.00 176.54 174.51 1uon h VAL 254 N 0.41 1.28 -0.27 4.60 2.07 -0.09 -2.58 116.25 121.66 1uon h VAL 254 Ca 0.06 -1.36 0.05 0.00 0.82 0.00 0.00 66.70 66.27 1uon h VAL 254 Cb 0.64 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 1uon h VAL 254 CO 0.05 0.46 -0.01 1.56 0.02 0.00 0.00 177.57 179.65 1uon h GLN 255 N 0.70 0.07 -0.27 1.57 4.20 -0.86 0.26 115.11 120.78 1uon h GLN 255 Ca 0.09 -0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.84 1uon h GLN 255 Cb 0.78 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.50 1uon h GLN 255 CO 0.06 0.04 0.00 0.82 -0.67 0.00 0.00 178.83 179.09 1uon h ILE 256 N 0.07 0.82 -0.90 2.54 2.04 -1.39 0.71 117.51 121.40 1uon h ILE 256 Ca 0.13 -0.03 0.03 0.00 1.00 0.00 0.00 64.86 65.98 1uon h ILE 256 Cb 0.17 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 1uon h ILE 256 CO -0.22 0.02 0.58 0.00 0.00 0.00 0.00 178.15 178.53 1uon h LEU 258 N 1.15 0.90 -0.83 0.00 3.38 0.31 -0.02 115.31 120.19 1uon h LEU 258 Ca 0.35 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 58.09 1uon h LEU 258 Cb -0.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1uon h LEU 258 CO -0.11 0.82 -0.17 0.45 0.09 0.00 0.00 178.44 179.52 1uon h HIS 259 N 0.95 0.76 -0.55 1.13 3.86 0.17 0.46 115.15 121.93 1uon h HIS 259 Ca 0.22 -0.15 -0.10 0.00 -1.16 0.00 0.00 60.37 59.17 1uon h HIS 259 Cb 0.22 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.48 1uon h HIS 259 CO 0.02 0.81 -0.07 0.00 0.86 0.00 0.00 177.93 179.55 1uon h ALA 260 N 1.20 0.84 0.00 2.45 0.00 -0.16 -0.20 119.26 123.40 1uon h ALA 260 Ca 0.10 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1uon h ALA 260 Cb 0.64 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1uon h ALA 260 CO 0.04 0.66 -0.28 0.00 0.00 0.00 0.00 179.25 179.68 1uon h ALA 261 N 1.01 0.93 0.00 0.00 0.00 -0.71 -3.01 119.26 117.48 1uon h ALA 261 Ca 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1uon h ALA 261 Cb 0.62 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1uon h ALA 261 CO 0.04 0.34 -0.40 0.00 0.00 0.00 0.00 179.25 179.24 1uon h ALA 262 N 1.72 0.77 -3.00 0.00 0.00 -0.34 -3.42 119.26 115.00 1uon h ALA 262 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1uon h ALA 262 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1uon h ALA 262 CO 0.04 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.16 1uon n SER 263 N -2.58 -0.35 -0.25 0.00 3.41 -0.14 -4.84 113.62 108.88 1uon n SER 263 Ca 0.03 -0.67 0.12 0.00 -0.26 0.00 0.00 58.87 58.09 1uon n SER 263 Cb 0.49 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.71 1uon n SER 263 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1uon n SER 264 N -2.54 1.14 -3.15 4.04 3.41 -1.26 -4.70 113.62 110.55 1uon n SER 264 Ca 0.00 -0.93 0.04 0.00 -0.26 0.00 0.00 58.87 57.73 1uon n SER 264 Cb 0.00 0.25 -0.01 0.00 -0.26 0.00 0.00 64.21 64.20 1uon n SER 264 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1uon s SER 265 N -2.59 -1.38 0.13 4.04 0.15 -1.26 0.38 113.70 113.17 1uon s SER 265 Ca 0.21 0.48 -0.30 0.00 0.70 0.00 0.00 55.95 57.04 1uon s SER 265 Cb 0.19 2.00 -0.06 0.00 -1.71 0.00 0.00 66.02 66.44 1uon s SER 265 CO 0.57 -0.25 1.58 0.22 1.20 0.00 0.00 173.24 176.55 1uon h TYR 266 N 7.95 -1.27 -0.00 3.44 3.20 -1.74 0.11 116.97 128.66 1uon h TYR 266 Ca -0.12 0.05 0.02 0.00 3.14 0.00 0.00 58.73 61.82 1uon h TYR 266 Cb 1.18 0.58 -0.02 0.00 1.54 0.00 0.00 36.73 40.00 1uon h TYR 266 CO 0.16 -0.49 -0.11 0.77 -1.64 0.00 0.00 178.16 176.85 1uon h SER 267 N -0.50 -0.33 -0.08 -2.11 0.02 -1.88 -0.69 113.55 107.98 1uon h SER 267 Ca 0.07 0.05 0.04 0.00 -0.84 0.00 0.00 61.79 61.11 1uon h SER 267 Cb 0.63 0.14 -0.05 0.00 0.14 0.00 0.00 62.40 63.27 1uon h SER 267 CO -0.42 -0.16 -0.20 -0.25 -1.14 0.00 0.00 176.83 174.66 1uon h TRP 268 N -0.19 -0.53 -0.83 3.45 7.01 -1.82 0.82 115.95 123.86 1uon h TRP 268 Ca 0.04 0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.14 1uon h TRP 268 Cb 0.25 0.25 -0.06 0.00 -2.10 0.00 0.00 29.16 27.49 1uon h TRP 268 CO -0.17 -0.28 0.50 0.35 -2.79 0.00 0.00 178.44 176.05 1uon h PHE 269 N -0.28 0.92 -0.56 2.65 3.57 -0.80 -1.36 116.94 121.09 1uon h PHE 269 Ca 0.08 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 1uon h PHE 269 Cb 0.40 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 1uon h PHE 269 CO -0.29 0.44 0.27 0.82 -2.23 0.00 0.00 178.31 177.33 1uon h ILE 270 N 0.89 1.20 -0.52 1.41 1.08 -0.25 -1.92 117.51 119.40 1uon h ILE 270 Ca 0.38 -0.56 0.01 0.00 -0.39 0.00 0.00 64.86 64.30 1uon h ILE 270 Cb 0.23 0.54 -0.03 0.00 -3.07 0.00 0.00 36.82 34.50 1uon h ILE 270 CO -0.20 0.23 0.33 0.25 -0.69 0.00 0.00 178.15 178.07 1uon h LEU 271 N 0.75 0.57 -1.00 1.44 5.85 -0.09 -0.76 115.31 122.07 1uon h LEU 271 Ca 0.19 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.81 1uon h LEU 271 Cb 0.11 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1uon h LEU 271 CO -0.03 0.41 -0.44 0.11 -0.34 0.00 0.00 178.44 178.15 1uon h LYS 272 N 0.68 0.00 -0.06 1.25 1.79 -1.05 -3.29 116.57 115.90 1uon h LYS 272 Ca 0.20 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 1uon h LYS 272 Cb -0.05 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.60 1uon h LYS 272 CO -0.06 0.44 0.00 0.25 -1.08 0.00 0.00 179.45 179.00 1uon n THR 273 N -3.75 0.07 0.10 -0.16 -2.24 -0.74 -4.68 114.28 102.88 1uon n THR 273 Ca -0.01 -0.54 0.05 0.00 -2.27 0.00 0.00 64.05 61.28 1uon n THR 273 Cb 0.51 1.27 0.26 0.00 -2.10 0.00 0.00 70.33 70.27 1uon n THR 273 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1uon n LYS 274 N 0.90 0.06 0.00 -0.78 2.85 -0.31 -1.36 118.16 119.52 1uon n LYS 274 Ca 0.10 0.50 0.12 0.00 -1.05 0.00 0.00 58.31 57.98 1uon n LYS 274 Cb 0.40 -1.87 0.14 0.00 -0.65 0.00 0.00 35.03 33.05 1uon n LYS 274 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1uon n SER 275 N -1.82 1.35 -0.08 -5.58 3.41 -1.26 -4.57 113.62 105.07 1uon n SER 275 Ca -0.01 -1.08 -0.14 0.00 -0.26 0.00 0.00 58.87 57.38 1uon n SER 275 Cb 0.18 0.41 -0.10 0.00 -0.26 0.00 0.00 64.21 64.44 1uon n SER 275 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1uon h ILE 276 N 1.37 0.00 -0.28 -1.33 2.04 -1.58 0.57 117.51 118.30 1uon h ILE 276 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1uon h ILE 276 Cb 0.60 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 1uon h ILE 276 CO 0.00 0.00 0.11 -0.26 0.00 0.00 0.00 178.15 178.00 1uon h PHE 277 N -0.48 0.43 -0.03 1.37 0.04 -1.83 -1.78 116.94 114.66 1uon h PHE 277 Ca 0.06 -0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 1uon h PHE 277 Cb 0.63 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 38.65 1uon h PHE 277 CO -0.67 0.43 0.02 -1.35 -0.60 0.00 0.00 178.31 176.14 1uon h PRO 278 N 0.31 0.04 -0.73 1.51 0.11 -1.78 -2.91 132.00 128.55 1uon h PRO 278 Ca 0.09 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.22 1uon h PRO 278 Cb 0.18 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 31.24 1uon h PRO 278 CO -0.01 0.08 0.47 1.96 -0.21 0.00 0.00 178.00 180.29 1uon h GLN 279 N -0.01 0.90 -0.31 1.05 1.08 -0.87 -1.83 115.11 115.12 1uon h GLN 279 Ca 0.01 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1uon h GLN 279 Cb 0.05 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.28 1uon h GLN 279 CO -0.00 0.60 0.00 0.09 -0.95 0.00 0.00 178.83 178.56 1uon n ASN 280 N -4.62 1.54 0.00 1.46 3.02 -0.67 -3.83 115.26 112.15 1uon n ASN 280 Ca 0.08 -2.02 0.00 0.00 -0.03 0.00 0.00 54.58 52.61 1uon n ASN 280 Cb 0.06 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.03 1uon n ASN 280 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1uon n THR 281 N 0.30 0.00 -0.29 3.41 -2.24 -1.10 -4.23 114.28 110.13 1uon n THR 281 Ca 0.09 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.75 1uon n THR 281 Cb 0.25 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.39 1uon n THR 281 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1uon h LEU 282 N 0.00 -1.99 -0.70 3.22 5.85 -1.58 0.78 115.31 120.89 1uon h LEU 282 Ca 0.00 0.29 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1uon h LEU 282 Cb 0.00 0.86 0.00 0.00 0.37 0.00 0.00 40.66 41.89 1uon h LEU 282 CO 0.00 -0.31 0.00 1.41 -0.34 0.00 0.00 178.44 179.20 1uon n HIS 283 N -5.32 0.00 -1.53 1.25 8.25 -0.75 -3.28 115.22 113.84 1uon n HIS 283 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1uon n HIS 283 Cb 0.30 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.35 1uon n HIS 283 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1uon n SER 284 N -0.15 0.03 -4.78 0.41 7.64 0.17 -4.83 113.62 112.13 1uon n SER 284 Ca 0.00 -1.56 -0.37 0.00 1.01 0.00 0.00 58.87 57.95 1uon n SER 284 Cb 0.17 -0.11 -0.05 0.00 -1.01 0.00 0.00 64.21 63.22 1uon n SER 284 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1uon s MET 285 N -0.03 4.36 -1.32 1.43 1.00 -0.63 -4.27 119.30 119.84 1uon s MET 285 Ca 0.00 1.53 -0.06 0.00 0.00 0.00 0.00 55.69 57.16 1uon s MET 285 Cb 0.00 -2.73 0.01 0.00 0.00 0.00 0.00 34.83 32.11 1uon s MET 285 CO 0.00 0.03 1.07 0.66 0.00 0.00 0.00 175.02 176.78 1uon n TYR 286 N 0.33 -2.54 0.28 -0.03 4.01 -1.26 -4.52 117.16 113.42 1uon n TYR 286 Ca 0.03 0.97 0.17 0.00 -0.16 0.00 0.00 57.90 58.91 1uon n TYR 286 Cb 0.49 -4.91 0.93 0.00 -0.31 0.00 0.00 39.34 35.54 1uon n TYR 286 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 1uon h GLU 287 N -2.33 0.00 -6.20 -0.72 5.08 -1.88 0.81 114.58 109.33 1uon h GLU 287 Ca -0.58 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.21 1uon h GLU 287 Cb 1.36 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.40 1uon h GLU 287 CO 0.55 0.00 -0.82 0.45 -1.00 0.00 0.00 179.01 178.19 1uon s SER 288 N -5.86 2.63 -0.23 1.42 0.15 -1.26 -4.20 113.70 106.35 1uon s SER 288 Ca -0.05 -0.72 -0.05 0.00 0.70 0.00 0.00 55.95 55.83 1uon s SER 288 Cb 0.15 -0.15 0.12 0.00 -1.71 0.00 0.00 66.02 64.42 1uon s SER 288 CO 0.52 0.06 0.43 -0.22 1.20 0.00 0.00 173.24 175.23 1uon s LEU 289 N -2.03 -0.73 -0.08 3.45 2.96 -1.26 -4.66 118.68 116.32 1uon s LEU 289 Ca 0.08 0.74 0.20 0.00 -0.22 0.00 0.00 54.13 54.93 1uon s LEU 289 Cb -0.09 1.39 -0.30 0.00 0.50 0.00 0.00 46.19 47.69 1uon s LEU 289 CO 0.05 -0.26 0.33 -0.62 -1.32 0.00 0.00 176.35 174.53 1uon n GLU 290 N 5.39 0.70 0.00 1.98 1.02 0.12 -0.92 120.64 128.92 1uon n GLU 290 Ca -0.06 -0.13 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 1uon n GLU 290 Cb 0.50 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 1uon n GLU 290 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1uon n GLY 291 N 1.48 1.37 0.00 0.62 0.00 -1.25 -4.63 105.19 102.78 1uon n GLY 291 Ca -0.13 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1uon n GLY 291 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uon n GLY 292 N 0.00 1.11 3.16 -0.02 0.00 -1.26 -2.72 105.19 105.45 1uon n GLY 292 Ca 0.00 -2.08 -0.20 0.00 0.00 0.00 0.00 46.02 43.74 1uon n GLY 292 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1uon s TYR 293 N -1.59 1.25 0.16 1.61 2.02 -1.25 -0.88 117.35 118.68 1uon s TYR 293 Ca 0.00 -0.38 0.04 0.00 -0.37 0.00 0.00 57.07 56.35 1uon s TYR 293 Cb 0.00 -0.73 -0.05 0.00 -0.40 0.00 0.00 41.96 40.78 1uon s TYR 293 CO 0.00 0.05 -0.07 0.00 -1.57 0.00 0.00 175.55 173.96 1uon n PRO 295 N -0.21 -0.97 -3.52 0.00 -0.02 -1.26 0.29 135.00 129.29 1uon n PRO 295 Ca -0.09 -0.23 -0.29 0.00 -2.02 0.00 0.00 63.50 60.86 1uon n PRO 295 Cb 0.61 -2.20 -0.13 0.00 -0.02 0.00 0.00 33.50 31.77 1uon n PRO 295 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1uon s ASN 296 N -2.43 3.19 0.12 2.55 2.47 -1.11 -4.28 114.94 115.45 1uon s ASN 296 Ca 0.65 -2.15 0.05 0.00 0.42 0.00 0.00 52.86 51.83 1uon s ASN 296 Cb -0.23 -0.52 -0.04 0.00 -1.45 0.00 0.00 41.25 39.01 1uon s ASN 296 CO 0.62 -0.32 0.08 -0.76 -3.72 0.00 0.00 177.10 173.00 1uon s LEU 297 N 1.08 3.70 -0.09 3.21 1.02 -1.26 -0.06 118.68 126.27 1uon s LEU 297 Ca 0.17 -0.12 0.01 0.00 0.02 0.00 0.00 54.13 54.21 1uon s LEU 297 Cb -0.22 -2.36 -0.02 0.00 0.02 0.00 0.00 46.19 43.61 1uon s LEU 297 CO -0.04 0.12 -0.12 -0.70 0.02 0.00 0.00 176.35 175.63 1uon s GLU 298 N -2.72 2.96 -0.49 1.70 2.12 -0.72 -4.96 118.70 116.60 1uon s GLU 298 Ca 0.29 -0.66 -0.22 0.00 0.36 0.00 0.00 54.97 54.74 1uon s GLU 298 Cb -0.11 -2.54 0.04 0.00 0.26 0.00 0.00 34.13 31.78 1uon s GLU 298 CO 0.22 0.44 0.74 -0.46 -0.54 0.00 0.00 175.26 175.65 1uon s TRP 299 N -0.23 2.98 1.04 5.30 -0.11 -1.26 -2.06 118.94 124.60 1uon s TRP 299 Ca 0.01 -0.13 -0.12 0.00 1.22 0.00 0.00 56.10 57.09 1uon s TRP 299 Cb -0.13 -3.64 0.21 0.00 -1.50 0.00 0.00 33.47 28.42 1uon s TRP 299 CO 0.03 -1.05 1.07 -0.51 -4.62 0.00 0.00 176.95 171.87 1uon s LEU 300 N 3.14 1.64 -0.03 5.86 1.02 -0.33 -4.89 118.68 125.08 1uon s LEU 300 Ca 0.24 1.63 0.00 0.00 0.02 0.00 0.00 54.13 56.02 1uon s LEU 300 Cb -0.15 -3.77 -0.03 0.00 0.02 0.00 0.00 46.19 42.26 1uon s LEU 300 CO 0.18 -3.54 -0.00 -1.61 0.02 0.00 0.00 176.35 171.39 1uon s GLU 301 N -4.65 2.85 0.27 1.70 0.41 -1.26 -3.03 118.70 114.99 1uon s GLU 301 Ca 0.67 -0.54 -0.27 0.00 -0.41 0.00 0.00 54.97 54.42 1uon s GLU 301 Cb -0.22 -2.71 -0.09 0.00 -1.78 0.00 0.00 34.13 29.33 1uon s GLU 301 CO 0.61 0.65 0.90 -1.25 -0.49 0.00 0.00 175.26 175.68 1uon s PRO 302 N -1.28 4.64 0.59 0.39 0.04 -1.26 -4.99 135.00 133.12 1uon s PRO 302 Ca 0.17 1.31 0.30 0.00 0.04 0.00 0.00 61.00 62.83 1uon s PRO 302 Cb -0.11 -3.01 1.35 0.00 0.04 0.00 0.00 34.50 32.77 1uon s PRO 302 CO 0.07 0.40 1.71 0.00 0.04 0.00 0.00 177.00 179.22 1uon h ARG 303 N 3.63 0.00 0.00 4.56 3.08 -1.88 0.65 114.38 124.42 1uon h ARG 303 Ca -0.46 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.59 1uon h ARG 303 Cb 1.20 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.25 1uon h ARG 303 CO 0.66 0.00 -0.00 0.66 -1.07 0.00 0.00 179.97 180.22 1uon h SER 304 N 0.00 0.00 0.96 7.04 4.64 -1.88 -0.71 113.55 123.59 1uon h SER 304 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 1uon h SER 304 Cb 1.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.00 1uon h SER 304 CO -0.00 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.43 1uon n ASP 305 N -3.26 0.10 -3.94 4.97 8.00 0.22 -4.91 116.55 117.72 1uon n ASP 305 Ca -0.03 0.51 -0.26 0.00 0.71 0.00 0.00 54.79 55.72 1uon n ASP 305 Cb 0.09 -0.54 -0.01 0.00 -0.02 0.00 0.00 41.12 40.64 1uon n ASP 305 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1uon n TYR 306 N -1.59 -1.75 -4.78 1.24 4.01 -0.27 -4.33 117.16 109.68 1uon n TYR 306 Ca 0.06 0.78 -0.33 0.00 -0.16 0.00 0.00 57.90 58.25 1uon n TYR 306 Cb 0.32 -3.77 -0.15 0.00 -0.31 0.00 0.00 39.34 35.42 1uon n TYR 306 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 1uon s LYS 307 N -6.51 3.25 0.17 -0.72 2.20 -1.26 -1.53 119.74 115.34 1uon s LYS 307 Ca 0.13 -0.75 0.06 0.00 -0.36 0.00 0.00 55.97 55.06 1uon s LYS 307 Cb -0.07 -2.56 -0.04 0.00 -1.51 0.00 0.00 37.83 33.65 1uon s LYS 307 CO 0.88 0.14 -0.13 -0.06 -0.36 0.00 0.00 175.35 175.82 1uon s PHE 308 N 0.51 1.49 -0.05 4.03 0.08 -0.10 -1.18 117.98 122.76 1uon s PHE 308 Ca -0.11 -0.64 0.02 0.00 0.12 0.00 0.00 56.93 56.33 1uon s PHE 308 Cb -0.16 -0.73 0.01 0.00 -0.57 0.00 0.00 43.02 41.57 1uon s PHE 308 CO 0.04 0.21 -0.10 -1.64 -0.10 0.00 0.00 175.22 173.63 1uon s MET 309 N -3.49 1.37 0.13 0.44 -1.94 -0.87 -4.69 119.30 110.24 1uon s MET 309 Ca 0.18 -0.35 -0.31 0.00 -1.71 0.00 0.00 55.69 53.50 1uon s MET 309 Cb -0.00 -1.19 -0.08 0.00 2.01 0.00 0.00 34.83 35.57 1uon s MET 309 CO 0.04 0.05 1.32 -0.47 -0.01 0.00 0.00 175.02 175.94 1uon s TYR 310 N 0.54 3.30 0.00 -0.03 5.04 -1.26 -1.75 117.35 123.18 1uon s TYR 310 Ca -0.10 1.12 0.00 0.00 -2.44 0.00 0.00 57.07 55.64 1uon s TYR 310 Cb -0.13 -3.60 0.00 0.00 0.35 0.00 0.00 41.96 38.58 1uon s TYR 310 CO 0.02 -1.97 0.73 -1.33 -1.34 0.00 0.00 175.55 171.67 1uon n MET 311 N 3.51 1.00 0.00 4.97 2.81 0.91 -4.97 117.12 125.36 1uon n MET 311 Ca 0.09 -0.98 0.00 0.00 -1.81 0.00 0.00 57.70 55.00 1uon n MET 311 Cb 0.43 -0.98 0.00 0.00 -0.71 0.00 0.00 33.22 31.96 1uon n MET 311 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1uon n GLY 312 N -0.25 0.54 3.43 3.03 0.00 -1.25 -4.96 105.19 105.74 1uon n GLY 312 Ca 0.00 -1.96 -0.29 0.00 0.00 0.00 0.00 46.02 43.76 1uon n GLY 312 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1uon s VAL 313 N -1.43 2.54 -0.39 1.61 -7.23 -1.26 -2.76 120.40 111.47 1uon s VAL 313 Ca 0.00 -1.57 -0.10 0.00 -1.81 0.00 0.00 61.98 58.50 1uon s VAL 313 Cb 0.00 -2.13 0.05 0.00 0.56 0.00 0.00 36.38 34.87 1uon s VAL 313 CO 0.00 0.14 0.22 -0.32 -0.31 0.00 0.00 175.10 174.83 1uon s MET 314 N -1.97 2.70 0.31 4.82 0.00 0.14 -4.87 119.30 120.43 1uon s MET 314 Ca 0.15 -1.27 -0.30 0.00 0.00 0.00 0.00 55.69 54.28 1uon s MET 314 Cb -0.10 -3.73 -0.11 0.00 0.00 0.00 0.00 34.83 30.88 1uon s MET 314 CO 0.07 -0.82 1.55 -2.14 0.00 0.00 0.00 175.02 173.69 1uon s PRO 315 N 1.48 4.13 0.16 4.11 0.02 -1.26 -2.07 135.00 141.58 1uon s PRO 315 Ca 0.02 2.55 0.03 0.00 0.02 0.00 0.00 61.00 63.62 1uon s PRO 315 Cb -0.21 -3.02 -0.03 0.00 0.02 0.00 0.00 34.50 31.25 1uon s PRO 315 CO 0.04 -0.59 0.28 -0.51 -0.33 0.00 0.00 177.00 175.89 1uon s LEU 316 N -0.84 4.28 0.36 -5.54 1.43 -0.06 -4.95 118.68 113.37 1uon s LEU 316 Ca 0.60 0.13 -0.16 0.00 -1.03 0.00 0.00 54.13 53.67 1uon s LEU 316 Cb -0.47 -2.85 0.05 0.00 0.03 0.00 0.00 46.19 42.94 1uon s LEU 316 CO 0.51 0.04 0.76 -0.94 0.23 0.00 0.00 176.35 176.95 1uon s SER 317 N -3.31 0.00 0.50 2.29 1.04 -1.26 -4.09 113.70 108.88 1uon s SER 317 Ca 0.34 -1.07 0.31 0.00 0.48 0.00 0.00 55.95 56.01 1uon s SER 317 Cb -0.11 0.82 1.41 0.00 0.10 0.00 0.00 66.02 68.25 1uon s SER 317 CO 0.28 -1.61 1.82 0.00 0.98 0.00 0.00 173.24 174.71 1uon h ALA 318 N 2.01 2.82 -0.62 5.32 0.00 -1.31 0.15 119.26 127.63 1uon h ALA 318 Ca -0.30 -0.01 0.18 0.00 0.00 0.00 0.00 54.91 54.78 1uon h ALA 318 Cb 1.25 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1uon h ALA 318 CO 0.37 -1.15 0.62 -0.22 0.00 0.00 0.00 179.25 178.87 1uon h LYS 319 N 0.11 0.00 -0.43 0.00 3.64 -1.95 -0.05 116.57 117.89 1uon h LYS 319 Ca 0.54 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.92 1uon h LYS 319 Cb 1.92 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.74 1uon h LYS 319 CO -0.08 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.76 1uon n TYR 320 N -3.73 0.58 -0.79 1.91 4.01 0.53 -4.95 117.16 114.72 1uon n TYR 320 Ca 0.12 -0.49 -0.33 0.00 -0.16 0.00 0.00 57.90 57.05 1uon n TYR 320 Cb 0.85 -0.02 0.13 0.00 -0.31 0.00 0.00 39.34 39.98 1uon n TYR 320 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1uon n ALA 321 N 0.78 -2.14 -1.69 -0.72 0.00 -0.03 -4.75 120.51 111.96 1uon n ALA 321 Ca 0.15 -0.58 -0.52 0.00 0.00 0.00 0.00 53.44 52.49 1uon n ALA 321 Cb 0.47 -1.89 -0.06 0.00 0.00 0.00 0.00 19.45 17.97 1uon n ALA 321 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1uon n ARG 322 N -2.23 1.73 -0.00 0.00 0.63 0.28 -4.81 116.66 112.25 1uon n ARG 322 Ca 0.08 0.63 0.05 0.00 -0.92 0.00 0.00 57.85 57.69 1uon n ARG 322 Cb 0.53 -2.40 -0.07 0.00 0.45 0.00 0.00 32.46 30.98 1uon n ARG 322 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 1uon n SER 323 N 5.60 2.13 -4.75 6.15 3.41 -1.26 -4.84 113.62 120.05 1uon n SER 323 Ca 0.23 -0.21 -0.35 0.00 -0.26 0.00 0.00 58.87 58.28 1uon n SER 323 Cb 0.23 1.31 0.04 0.00 -0.26 0.00 0.00 64.21 65.53 1uon n SER 323 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uon s ALA 324 N -2.44 2.49 0.47 7.33 0.00 -1.26 -4.89 121.76 123.46 1uon s ALA 324 Ca -0.01 0.93 -0.21 0.00 0.00 0.00 0.00 51.96 52.66 1uon s ALA 324 Cb 0.06 -3.43 -0.11 0.00 0.00 0.00 0.00 23.12 19.64 1uon s ALA 324 CO 0.39 -1.23 0.59 -2.30 0.00 0.00 0.00 175.76 173.21 1uon n PRO 325 N -1.80 0.64 -2.78 0.00 -0.02 -1.26 -4.95 135.00 124.84 1uon n PRO 325 Ca 0.13 0.24 -0.41 0.00 -2.02 0.00 0.00 63.50 61.44 1uon n PRO 325 Cb 0.50 -1.62 -0.05 0.00 -0.02 0.00 0.00 33.50 32.31 1uon n PRO 325 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1uon s SER 326 N -0.99 7.49 0.00 2.55 0.15 -1.26 -4.93 113.70 116.72 1uon s SER 326 Ca 0.65 1.78 0.20 0.00 0.70 0.00 0.00 55.95 59.28 1uon s SER 326 Cb -0.55 -2.57 0.31 0.00 -1.71 0.00 0.00 66.02 61.50 1uon s SER 326 CO 0.57 0.01 1.27 -0.46 1.20 0.00 0.00 173.24 175.83 1uon n ASN 327 N 2.42 3.08 -0.31 5.45 6.94 -1.26 -4.68 115.26 126.88 1uon n ASN 327 Ca 0.00 -1.91 -0.06 0.00 -0.02 0.00 0.00 54.58 52.59 1uon n ASN 327 Cb 0.49 -0.16 -0.02 0.00 -2.36 0.00 0.00 39.78 37.73 1uon n ASN 327 CO 0.00 0.00 0.00 -0.78 -1.03 0.00 0.00 177.26 175.45 1uon h ASP 328 N 3.90 -1.62 0.42 0.53 3.58 -1.95 -0.45 116.42 120.83 1uon h ASP 328 Ca 0.00 0.29 -0.01 0.00 0.42 0.00 0.00 57.03 57.73 1uon h ASP 328 Cb 0.88 0.77 -0.03 0.00 1.72 0.00 0.00 39.33 42.67 1uon h ASP 328 CO 0.00 -0.30 -0.45 0.50 -2.88 0.00 0.00 179.24 176.12 1uon h LYS 329 N -0.10 -0.85 -0.81 0.28 3.64 -1.99 -0.31 116.57 116.43 1uon h LYS 329 Ca 0.23 0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.69 1uon h LYS 329 Cb 0.54 0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.51 1uon h LYS 329 CO -0.85 -0.57 0.53 0.87 -2.27 0.00 0.00 179.45 177.16 1uon h LYS 330 N -0.89 1.02 -0.47 1.90 1.57 -1.86 -0.35 116.57 117.50 1uon h LYS 330 Ca -0.04 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1uon h LYS 330 Cb 0.79 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 1uon h LYS 330 CO -0.08 0.68 0.28 0.00 -0.57 0.00 0.00 179.45 179.75 1uon h ALA 331 N 1.31 0.60 -0.03 3.86 0.00 -0.90 -0.01 119.26 124.10 1uon h ALA 331 Ca 0.31 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.09 1uon h ALA 331 Cb -0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1uon h ALA 331 CO -0.08 -0.03 -0.54 0.00 0.00 0.00 0.00 179.25 178.59 1uon h ARG 332 N 0.56 0.08 -0.47 0.00 3.08 -0.71 -2.12 114.38 114.80 1uon h ARG 332 Ca 0.19 -0.05 -0.10 0.00 0.07 0.00 0.00 59.98 60.09 1uon h ARG 332 Cb 0.02 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1uon h ARG 332 CO -0.09 0.60 -0.08 0.93 -1.07 0.00 0.00 179.97 180.26 1uon h GLU 333 N 0.06 0.89 -0.44 0.04 5.08 -0.53 -1.19 114.58 118.49 1uon h GLU 333 Ca -0.00 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1uon h GLU 333 Cb 0.98 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 1uon h GLU 333 CO 0.07 0.97 0.26 1.25 -1.00 0.00 0.00 179.01 180.56 1uon h LEU 334 N 0.73 0.53 -0.54 1.33 6.46 -0.81 -0.46 115.31 122.56 1uon h LEU 334 Ca 0.12 -0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.80 1uon h LEU 334 Cb 0.62 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.39 1uon h LEU 334 CO 0.04 0.43 0.26 1.23 -0.62 0.00 0.00 178.44 179.79 1uon h GLY 335 N 0.58 0.82 1.00 3.75 0.00 -1.21 -2.57 103.07 105.44 1uon h GLY 335 Ca 0.16 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1uon h GLY 335 CO -0.03 0.38 0.36 0.83 0.00 0.00 0.00 176.54 178.09 1uon h GLU 336 N 0.72 0.92 -0.08 4.80 4.39 -0.88 0.29 114.58 124.73 1uon h GLU 336 Ca 0.18 -0.11 -0.05 0.00 0.34 0.00 0.00 59.36 59.72 1uon h GLU 336 Cb 0.11 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 1uon h GLU 336 CO -0.02 0.69 -0.20 -0.22 -1.16 0.00 0.00 179.01 178.10 1uon h LYS 337 N 0.90 0.14 -0.34 2.33 3.64 -0.87 -3.12 116.57 119.25 1uon h LYS 337 Ca 0.23 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 1uon h LYS 337 Cb 0.04 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1uon h LYS 337 CO -0.04 0.33 0.01 0.66 -2.27 0.00 0.00 179.45 178.15 1uon n TYR 338 N -4.25 1.21 -2.59 1.91 4.01 -0.99 -4.96 117.16 111.50 1uon n TYR 338 Ca -0.01 -0.90 -0.19 0.00 -0.16 0.00 0.00 57.90 56.64 1uon n TYR 338 Cb 0.29 -0.37 0.01 0.00 -0.31 0.00 0.00 39.34 38.96 1uon n TYR 338 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1uon n GLY 339 N -0.33 -0.37 0.17 2.72 0.00 -0.95 -4.91 105.19 101.52 1uon n GLY 339 Ca 0.24 -0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.26 1uon n GLY 339 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uon n LEU 340 N -2.99 1.74 0.28 0.99 4.77 0.98 -4.78 117.00 117.99 1uon n LEU 340 Ca -0.16 -2.50 0.16 0.00 -0.03 0.00 0.00 56.01 53.48 1uon n LEU 340 Cb 0.64 -0.30 0.93 0.00 -2.33 0.00 0.00 43.42 42.36 1uon n LEU 340 CO 0.32 0.58 1.14 0.77 -1.33 0.00 0.00 177.39 178.87 1uon h SER 341 N 0.00 0.00 -0.54 -1.43 4.64 -1.78 0.41 113.55 114.85 1uon h SER 341 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 1uon h SER 341 Cb 1.07 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.15 1uon h SER 341 CO 0.00 0.00 -0.05 -1.28 -0.87 0.00 0.00 176.83 174.63 1uon h SER 342 N 0.00 0.98 0.10 4.97 0.87 -1.89 -1.46 113.55 117.13 1uon h SER 342 Ca 0.02 -0.33 -0.01 0.00 -1.23 0.00 0.00 61.79 60.25 1uon h SER 342 Cb 0.13 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 61.83 1uon h SER 342 CO -0.00 1.08 -0.05 0.58 -0.53 0.00 0.00 176.83 177.91 1uon h VAL 343 N 0.87 1.10 -0.56 2.23 2.07 -1.32 -2.78 116.25 117.85 1uon h VAL 343 Ca 0.15 -1.20 0.10 0.00 0.82 0.00 0.00 66.70 66.57 1uon h VAL 343 Cb 0.60 1.82 -0.08 0.00 -1.52 0.00 0.00 31.29 32.11 1uon h VAL 343 CO 0.04 0.27 0.11 0.58 0.02 0.00 0.00 177.57 178.59 1uon h VAL 344 N -0.74 0.67 -0.73 2.57 2.07 -1.36 -0.71 116.25 118.02 1uon h VAL 344 Ca -0.01 -0.09 0.05 0.00 0.82 0.00 0.00 66.70 67.47 1uon h VAL 344 Cb 0.55 0.40 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 1uon h VAL 344 CO 0.02 0.05 0.44 1.23 0.02 0.00 0.00 177.57 179.33 1uon h GLY 345 N 0.25 1.07 0.97 2.17 0.00 -1.31 0.14 103.07 106.36 1uon h GLY 345 Ca 0.29 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.25 1uon h GLY 345 CO -0.38 0.23 0.12 -2.09 0.00 0.00 0.00 176.54 174.42 1uon h GLU 346 N 0.83 0.76 -0.57 4.80 4.57 -1.07 -1.14 114.58 122.75 1uon h GLU 346 Ca 0.31 -0.18 -0.05 0.00 -1.18 0.00 0.00 59.36 58.26 1uon h GLU 346 Cb 0.12 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.58 1uon h GLU 346 CO -0.15 0.74 0.16 -0.07 -1.18 0.00 0.00 179.01 178.51 1uon h LEU 347 N 0.64 0.84 -0.54 1.64 3.38 -0.62 -1.45 115.31 119.20 1uon h LEU 347 Ca 0.15 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1uon h LEU 347 Cb 0.32 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1uon h LEU 347 CO 0.00 0.84 0.33 0.03 0.09 0.00 0.00 178.44 179.73 1uon h ARG 348 N 0.80 0.74 0.13 1.13 2.47 -0.52 -0.57 114.38 118.56 1uon h ARG 348 Ca 0.18 -0.07 -0.01 0.00 -1.26 0.00 0.00 59.98 58.83 1uon h ARG 348 Cb 0.32 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.49 1uon h ARG 348 CO -0.00 0.53 -0.06 -0.22 0.56 0.00 0.00 179.97 180.78 1uon h LYS 349 N 0.73 -0.16 -0.68 0.04 3.64 -1.00 -2.55 116.57 116.59 1uon h LYS 349 Ca 0.19 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.55 1uon h LYS 349 Cb -0.01 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 1uon h LYS 349 CO -0.04 -0.02 0.27 0.00 -2.27 0.00 0.00 179.45 177.40 1uon h ARG 350 N -0.27 1.02 -0.41 1.90 3.08 -1.16 -2.50 114.38 116.03 1uon h ARG 350 Ca -0.02 -0.18 0.06 0.00 0.07 0.00 0.00 59.98 59.91 1uon h ARG 350 Cb 0.22 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1uon h ARG 350 CO 0.03 0.84 0.28 1.15 -1.07 0.00 0.00 179.97 181.20 1uon h THR 351 N 0.96 0.96 0.00 2.04 2.02 -1.01 -0.68 112.91 117.20 1uon h THR 351 Ca 0.23 -0.11 -0.09 0.00 0.77 0.00 0.00 66.41 67.21 1uon h THR 351 Cb 0.21 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 1uon h THR 351 CO -0.02 0.06 -0.43 0.11 0.37 0.00 0.00 175.52 175.61 1uon h LYS 352 N 0.32 0.00 0.00 6.66 1.57 -1.02 -3.06 116.57 121.04 1uon h LYS 352 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1uon h LYS 352 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1uon h LYS 352 CO -0.04 0.43 0.00 0.25 -0.57 0.00 0.00 179.45 179.52 1uon n THR 353 N -3.70 0.85 -2.98 -0.16 -2.24 -0.26 -4.47 114.28 101.32 1uon n THR 353 Ca -0.01 0.31 -0.44 0.00 -2.27 0.00 0.00 64.05 61.65 1uon n THR 353 Cb 0.51 -1.26 -0.05 0.00 -2.10 0.00 0.00 70.33 67.43 1uon n THR 353 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1uon s TYR 354 N -3.37 2.86 -1.41 4.78 2.02 -1.16 -4.83 117.35 116.24 1uon s TYR 354 Ca 0.03 -0.54 0.14 0.00 -0.37 0.00 0.00 57.07 56.33 1uon s TYR 354 Cb 0.09 -4.01 0.02 0.00 -0.40 0.00 0.00 41.96 37.67 1uon s TYR 354 CO 0.37 -1.37 0.82 1.33 -1.57 0.00 0.00 175.55 175.13 1uon n VAL 355 N 5.82 0.00 -5.25 0.71 0.24 -1.26 -4.27 118.33 114.32 1uon n VAL 355 Ca -0.05 -0.39 -0.30 0.00 -2.04 0.00 0.00 64.34 61.56 1uon n VAL 355 Cb 0.45 1.20 -0.16 0.00 -1.47 0.00 0.00 33.84 33.86 1uon n VAL 355 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1uon s LYS 356 N -1.60 2.09 -0.36 7.34 1.02 -1.26 0.12 119.74 127.08 1uon s LYS 356 Ca 0.13 -0.89 -0.20 0.00 0.02 0.00 0.00 55.97 55.03 1uon s LYS 356 Cb 0.12 -1.98 0.00 0.00 -0.52 0.00 0.00 37.83 35.45 1uon s LYS 356 CO 0.31 0.51 0.62 -1.58 -0.92 0.00 0.00 175.35 174.29 1uon s HIS 357 N -0.52 3.15 0.14 3.18 5.65 -1.10 -4.68 115.29 121.10 1uon s HIS 357 Ca 0.08 0.30 -0.05 0.00 0.25 0.00 0.00 55.06 55.63 1uon s HIS 357 Cb -0.10 -3.12 0.02 0.00 -1.18 0.00 0.00 32.58 28.20 1uon s HIS 357 CO -0.00 -0.63 0.28 -0.40 -0.65 0.00 0.00 174.74 173.33 1uon n ASP 358 N 6.02 -0.80 -0.08 9.88 5.68 -1.26 -3.74 116.55 132.25 1uon n ASP 358 Ca -0.02 -1.55 -0.06 0.00 -0.50 0.00 0.00 54.79 52.66 1uon n ASP 358 Cb 0.49 1.33 -0.00 0.00 -1.14 0.00 0.00 41.12 41.79 1uon n ASP 358 CO 0.00 0.00 0.00 -0.26 -1.33 0.00 0.00 177.20 175.61 1uon h PHE 359 N 1.34 -0.35 -0.46 2.11 0.04 -1.94 -1.96 116.94 115.72 1uon h PHE 359 Ca -0.12 0.03 0.08 0.00 2.80 0.00 0.00 57.97 60.77 1uon h PHE 359 Cb 0.43 0.20 -0.07 0.00 2.20 0.00 0.00 35.95 38.71 1uon h PHE 359 CO 0.00 -0.22 0.07 0.00 -0.60 0.00 0.00 178.31 177.56 1uon h ALA 360 N 1.16 0.49 -0.35 2.45 0.00 -1.96 -1.32 119.26 119.73 1uon h ALA 360 Ca 0.16 0.11 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 1uon h ALA 360 Cb 0.34 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1uon h ALA 360 CO -0.38 -0.34 -0.27 0.66 0.00 0.00 0.00 179.25 178.92 1uon h SER 361 N 0.19 0.74 0.48 0.00 4.64 -1.68 -2.33 113.55 115.59 1uon h SER 361 Ca 0.23 -0.28 -0.17 0.00 -0.47 0.00 0.00 61.79 61.09 1uon h SER 361 Cb 0.31 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.18 1uon h SER 361 CO -0.32 0.98 -0.75 -0.37 -0.87 0.00 0.00 176.83 175.49 1uon h VAL 362 N 0.62 1.44 -0.16 0.95 -1.51 -1.17 -2.72 116.25 113.70 1uon h VAL 362 Ca 0.08 -2.32 -0.05 0.00 -1.23 0.00 0.00 66.70 63.18 1uon h VAL 362 Cb 0.78 2.25 -0.01 0.00 -2.13 0.00 0.00 31.29 32.17 1uon h VAL 362 CO 0.06 0.68 -0.14 -0.09 -1.23 0.00 0.00 177.57 176.86 1uon h ARG 363 N 0.14 0.26 -0.29 5.19 2.43 -1.15 0.28 114.38 121.24 1uon h ARG 363 Ca -0.03 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.05 1uon h ARG 363 Cb 1.32 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.82 1uon h ARG 363 CO 0.11 0.40 0.04 -0.92 -1.51 0.00 0.00 179.97 178.09 1uon h TYR 364 N 0.24 0.52 0.32 2.20 3.20 -1.19 0.21 116.97 122.48 1uon h TYR 364 Ca 0.05 -0.08 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 1uon h TYR 364 Cb 0.39 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.53 1uon h TYR 364 CO 0.01 0.59 -0.15 0.82 -1.64 0.00 0.00 178.16 177.79 1uon h ILE 365 N 0.30 0.70 -0.36 1.81 2.04 -1.12 -0.13 117.51 120.76 1uon h ILE 365 Ca 0.09 -0.20 0.08 0.00 1.00 0.00 0.00 64.86 65.82 1uon h ILE 365 Cb 0.36 0.81 -0.08 0.00 -0.74 0.00 0.00 36.82 37.18 1uon h ILE 365 CO 0.01 0.04 -0.15 -0.09 0.00 0.00 0.00 178.15 177.96 1uon h ARG 366 N -0.54 -0.08 -0.50 2.37 1.12 -0.89 0.20 114.38 116.06 1uon h ARG 366 Ca -0.04 0.01 0.05 0.00 -1.11 0.00 0.00 59.98 58.88 1uon h ARG 366 Cb 0.40 0.02 -0.05 0.00 -0.01 0.00 0.00 29.97 30.33 1uon h ARG 366 CO 0.07 -0.05 0.23 -0.44 -3.11 0.00 0.00 179.97 176.67 1uon h ASP 367 N -0.08 0.32 -0.62 -3.80 5.19 -0.40 -1.82 116.42 115.20 1uon h ASP 367 Ca 0.18 0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 56.62 1uon h ASP 367 Cb 0.35 -0.02 -0.03 0.00 0.18 0.00 0.00 39.33 39.82 1uon h ASP 367 CO -0.41 0.22 0.38 0.00 -3.12 0.00 0.00 179.24 176.31 1uon h ALA 368 N 1.28 0.79 0.00 3.45 0.00 0.14 -2.33 119.26 122.60 1uon h ALA 368 Ca 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1uon h ALA 368 Cb 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1uon h ALA 368 CO -0.18 0.26 0.00 -1.33 0.00 0.00 0.00 179.25 178.01 1uon n MET 369 N -4.61 0.43 0.03 0.00 2.81 0.58 -2.31 117.12 114.05 1uon n MET 369 Ca 0.04 0.05 0.12 0.00 -1.81 0.00 0.00 57.70 56.11 1uon n MET 369 Cb 0.05 -1.50 0.23 0.00 -0.71 0.00 0.00 33.22 31.29 1uon n MET 369 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1uon n ALA 370 N -1.22 3.11 1.56 3.04 0.00 -0.75 -3.74 120.51 122.51 1uon n ALA 370 Ca 0.12 -0.27 0.15 0.00 0.00 0.00 0.00 53.44 53.44 1uon n ALA 370 Cb 0.16 -1.18 0.66 0.00 0.00 0.00 0.00 19.45 19.10 1uon n ALA 370 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uon s THR 372 N -2.26 3.73 0.44 0.00 2.01 -1.25 -4.59 115.64 113.71 1uon s THR 372 Ca 0.35 1.64 -0.21 0.00 0.31 0.00 0.00 61.69 63.78 1uon s THR 372 Cb 0.21 -4.05 -0.13 0.00 0.01 0.00 0.00 72.50 68.54 1uon s THR 372 CO 0.42 0.35 0.41 -0.24 -0.69 0.00 0.00 174.62 174.87 1uon n SER 373 N 1.71 -1.49 -0.41 3.53 2.88 -1.26 -4.74 113.62 113.84 1uon n SER 373 Ca 0.00 0.86 0.06 0.00 -1.33 0.00 0.00 58.87 58.46 1uon n SER 373 Cb 0.46 -1.05 0.14 0.00 -0.75 0.00 0.00 64.21 63.00 1uon n SER 373 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1uon n GLY 374 N 1.95 3.67 3.79 0.46 0.00 -1.26 -4.71 105.19 109.08 1uon n GLY 374 Ca 0.11 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 1uon n GLY 374 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1uon s ILE 375 N -1.93 3.69 -0.52 -0.61 -4.36 -1.26 -4.63 121.20 111.58 1uon s ILE 375 Ca 0.25 1.10 -0.23 0.00 -0.26 0.00 0.00 60.65 61.51 1uon s ILE 375 Cb 0.19 -3.47 0.04 0.00 1.25 0.00 0.00 42.46 40.47 1uon s ILE 375 CO 0.07 -0.18 0.83 -0.36 0.24 0.00 0.00 174.94 175.53 1uon s PHE 376 N -1.89 2.90 0.46 1.37 0.08 -1.26 -3.14 117.98 116.50 1uon s PHE 376 Ca 0.66 -0.12 -0.24 0.00 0.12 0.00 0.00 56.93 57.35 1uon s PHE 376 Cb -0.18 -3.85 -0.09 0.00 -0.57 0.00 0.00 43.02 38.33 1uon s PHE 376 CO 0.22 -1.20 1.12 1.28 -0.10 0.00 0.00 175.22 176.55 1uon n LEU 377 N 6.97 3.51 -3.99 -0.37 4.32 -0.78 -4.84 117.00 121.83 1uon n LEU 377 Ca -0.00 1.02 -0.14 0.00 -0.02 0.00 0.00 56.01 56.87 1uon n LEU 377 Cb 0.47 -1.43 -0.13 0.00 -1.62 0.00 0.00 43.42 40.71 1uon n LEU 377 CO 0.60 -1.17 -0.39 -0.69 -1.22 0.00 0.00 177.39 174.52 1uon s VAL 378 N -1.28 0.39 0.25 4.08 1.01 -1.26 -4.40 120.40 119.18 1uon s VAL 378 Ca 0.65 -0.55 -0.17 0.00 0.00 0.00 0.00 61.98 61.91 1uon s VAL 378 Cb -0.51 -0.39 0.01 0.00 0.00 0.00 0.00 36.38 35.49 1uon s VAL 378 CO 0.55 -0.12 0.58 0.00 0.00 0.00 0.00 175.10 176.11 1uon s ARG 379 N -0.72 1.61 0.52 2.72 1.70 -1.26 -3.90 118.95 119.62 1uon s ARG 379 Ca -0.04 -1.10 -0.19 0.00 -0.47 0.00 0.00 55.73 53.93 1uon s ARG 379 Cb -0.05 0.53 -0.07 0.00 -0.57 0.00 0.00 34.95 34.79 1uon s ARG 379 CO -0.00 -0.70 1.07 0.95 -1.08 0.00 0.00 175.30 175.53 1uon s THR 380 N -3.96 3.62 0.22 4.99 -4.23 -1.26 -4.89 115.64 110.13 1uon s THR 380 Ca 0.16 0.96 -0.08 0.00 -1.18 0.00 0.00 61.69 61.55 1uon s THR 380 Cb -0.03 -3.39 0.19 0.00 1.34 0.00 0.00 72.50 70.61 1uon s THR 380 CO 0.07 -0.26 1.70 -0.65 -0.54 0.00 0.00 174.62 174.93 1uon h PRO 381 N 1.25 0.27 -0.74 3.99 0.11 -1.99 -0.59 132.00 134.31 1uon h PRO 381 Ca -0.49 -0.02 0.13 0.00 0.11 0.00 0.00 66.00 65.74 1uon h PRO 381 Cb 1.23 -0.06 -0.09 0.00 0.11 0.00 0.00 31.00 32.19 1uon h PRO 381 CO 0.58 0.18 0.29 1.15 -0.21 0.00 0.00 178.00 179.99 1uon h THR 382 N 0.27 0.68 -0.41 -1.15 2.02 -1.94 -0.97 112.91 111.41 1uon h THR 382 Ca 0.35 -0.15 -0.08 0.00 0.77 0.00 0.00 66.41 67.30 1uon h THR 382 Cb 0.54 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1uon h THR 382 CO -0.44 0.08 -0.04 -0.33 0.37 0.00 0.00 175.52 175.17 1uon h GLU 383 N 0.45 0.75 0.04 6.66 4.39 -1.49 -1.62 114.58 123.76 1uon h GLU 383 Ca 0.40 -0.26 -0.00 0.00 0.34 0.00 0.00 59.36 59.84 1uon h GLU 383 Cb 0.58 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1uon h GLU 383 CO -0.39 0.85 -0.03 1.15 -1.16 0.00 0.00 179.01 179.44 1uon h THR 384 N 0.57 0.94 -0.72 1.13 2.02 -0.75 -0.99 112.91 115.11 1uon h THR 384 Ca 0.11 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.29 1uon h THR 384 Cb 0.54 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 1uon h THR 384 CO 0.03 0.00 0.46 0.58 0.37 0.00 0.00 175.52 176.96 1uon h VAL 385 N -0.07 1.19 0.00 3.16 2.07 -1.20 0.93 116.25 122.34 1uon h VAL 385 Ca -0.00 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1uon h VAL 385 Cb 0.06 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 1uon h VAL 385 CO 0.00 0.19 0.00 0.18 0.02 0.00 0.00 177.57 177.96 1uon n LEU 386 N -4.56 0.55 -0.09 2.57 4.77 -0.61 -1.88 117.00 117.75 1uon n LEU 386 Ca 0.07 0.59 -0.07 0.00 -0.03 0.00 0.00 56.01 56.56 1uon n LEU 386 Cb 0.03 -0.46 -0.16 0.00 -2.33 0.00 0.00 43.42 40.50 1uon n LEU 386 CO 0.36 -0.30 -1.10 1.67 -1.33 0.00 0.00 177.39 176.69 1uon n GLN 387 N -2.06 0.69 -0.05 3.23 7.27 -0.39 -4.46 117.38 121.61 1uon n GLN 387 Ca 0.04 -0.04 -0.10 0.00 0.07 0.00 0.00 57.00 56.98 1uon n GLN 387 Cb 0.31 -1.52 -0.15 0.00 2.41 0.00 0.00 30.24 31.30 1uon n GLN 387 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1uon n GLU 388 N -2.68 0.66 -1.57 3.69 -0.58 0.26 -4.39 120.64 116.03 1uon n GLU 388 Ca -0.29 0.19 -0.32 0.00 -0.42 0.00 0.00 57.16 56.32 1uon n GLU 388 Cb 1.08 -1.69 0.06 0.00 -0.57 0.00 0.00 31.44 30.31 1uon n GLU 388 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1uon n TYR 389 N -2.97 3.10 0.05 -0.32 4.01 -0.79 -4.58 117.16 115.66 1uon n TYR 389 Ca -0.24 -2.79 0.00 0.00 -0.16 0.00 0.00 57.90 54.72 1uon n TYR 389 Cb 1.09 -1.12 0.00 0.00 -0.31 0.00 0.00 39.34 38.99 1uon n TYR 389 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1uon n THR 390 N -0.83 0.61 -1.70 -0.72 -1.04 -1.26 -4.79 114.28 104.55 1uon n THR 390 Ca 0.57 0.20 -0.43 0.00 -2.04 0.00 0.00 64.05 62.35 1uon n THR 390 Cb 0.71 -1.32 -0.02 0.00 -1.82 0.00 0.00 70.33 67.88 1uon n THR 390 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1uon n GLN 391 N -3.28 2.24 -4.92 -2.82 6.02 -1.26 -5.01 117.38 108.35 1uon n GLN 391 Ca 0.00 0.79 -0.31 0.00 -0.01 0.00 0.00 57.00 57.48 1uon n GLN 391 Cb 0.14 -2.46 -0.14 0.00 1.02 0.00 0.00 30.24 28.79 1uon n GLN 391 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1uon s SER 392 N 0.16 3.34 0.33 1.08 0.01 -1.26 -4.94 113.70 112.42 1uon s SER 392 Ca 0.63 -0.51 -0.29 0.00 1.31 0.00 0.00 55.95 57.09 1uon s SER 392 Cb -0.59 -0.40 -0.11 0.00 0.21 0.00 0.00 66.02 65.14 1uon s SER 392 CO 0.53 0.27 1.50 -2.84 0.41 0.00 0.00 173.24 173.12 1uon s PRO 393 N -1.15 4.16 -0.58 12.44 0.02 -1.26 -4.95 135.00 143.67 1uon s PRO 393 Ca 0.12 2.51 -0.19 0.00 0.02 0.00 0.00 61.00 63.46 1uon s PRO 393 Cb -0.10 -3.02 0.10 0.00 0.02 0.00 0.00 34.50 31.51 1uon s PRO 393 CO 0.02 -0.52 0.68 -2.00 -0.33 0.00 0.00 177.00 174.86 1uon s GLU 394 N -1.28 3.04 -1.02 5.54 2.12 -1.26 -4.90 118.70 120.94 1uon s GLU 394 Ca 0.57 -1.32 -0.23 0.00 0.36 0.00 0.00 54.97 54.35 1uon s GLU 394 Cb -0.46 -4.26 0.03 0.00 0.26 0.00 0.00 34.13 29.71 1uon s GLU 394 CO 0.54 -1.51 1.55 0.42 -0.54 0.00 0.00 175.26 175.73 1uon s ILE 395 N 2.61 3.86 0.54 -3.70 -1.09 -1.26 -3.50 121.20 118.65 1uon s ILE 395 Ca 0.11 -0.78 0.42 0.00 -2.23 0.00 0.00 60.65 58.17 1uon s ILE 395 Cb -0.24 -4.90 0.43 0.00 -1.58 0.00 0.00 42.46 36.17 1uon s ILE 395 CO 0.06 -1.78 2.29 0.11 -1.23 0.00 0.00 174.94 174.39 1uon h LYS 396 N 9.88 0.00 -2.37 2.79 1.57 -1.53 -3.30 116.57 123.61 1uon h LYS 396 Ca 0.20 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.39 1uon h LYS 396 Cb 1.00 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 32.92 1uon h LYS 396 CO 1.40 0.00 -0.95 0.28 -0.57 0.00 0.00 179.45 179.61 1uon n VAL 397 N -3.06 -0.72 -0.89 0.50 0.31 -1.08 -4.97 118.33 108.42 1uon n VAL 397 Ca -0.02 -3.74 -0.33 0.00 -0.01 0.00 0.00 64.34 60.24 1uon n VAL 397 Cb 0.11 -1.78 0.13 0.00 -0.91 0.00 0.00 33.84 31.40 1uon n VAL 397 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1uon n PRO 398 N 2.43 -0.16 -2.63 5.55 -0.02 -1.25 -4.83 135.00 134.09 1uon n PRO 398 Ca 0.27 0.01 -0.43 0.00 -2.02 0.00 0.00 63.50 61.34 1uon n PRO 398 Cb 0.47 -2.16 -0.02 0.00 -0.02 0.00 0.00 33.50 31.77 1uon n PRO 398 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1uon s ILE 399 N -2.35 4.64 0.40 4.25 1.01 -1.26 -4.97 121.20 122.92 1uon s ILE 399 Ca 0.65 1.94 -0.26 0.00 0.00 0.00 0.00 60.65 62.98 1uon s ILE 399 Cb -0.25 -4.25 -0.10 0.00 0.01 0.00 0.00 42.46 37.86 1uon s ILE 399 CO 0.59 -0.08 1.24 -2.65 0.00 0.00 0.00 174.94 174.04 1uon n PRO 400 N 5.71 1.89 -0.18 2.79 -0.02 -1.26 -4.87 135.00 139.07 1uon n PRO 400 Ca 0.11 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1uon n PRO 400 Cb 0.47 -2.32 0.25 0.00 -0.02 0.00 0.00 33.50 31.88 1uon n PRO 400 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1uon h GLN 401 N 2.12 0.91 0.00 -0.52 4.15 -1.99 -1.56 115.11 118.23 1uon h GLN 401 Ca -0.47 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 58.87 1uon h GLN 401 Cb 1.30 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.80 1uon h GLN 401 CO 0.60 0.65 0.00 1.57 -1.93 0.00 0.00 178.83 179.72 1uon h LYS 402 N 0.92 0.00 -0.07 1.69 2.10 -2.02 -2.64 116.57 116.55 1uon h LYS 402 Ca 0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.89 1uon h LYS 402 Cb -0.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.32 1uon h LYS 402 CO -0.04 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.16 1uon n ASP 403 N -2.68 0.74 -4.74 7.07 8.00 -0.59 -4.84 116.55 119.51 1uon n ASP 403 Ca -0.02 -1.56 -0.31 0.00 0.71 0.00 0.00 54.79 53.61 1uon n ASP 403 Cb 0.09 -0.05 -0.07 0.00 -0.02 0.00 0.00 41.12 41.07 1uon n ASP 403 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1uon s TRP 404 N -1.91 3.14 0.56 1.24 0.52 -1.00 -1.16 118.94 120.35 1uon s TRP 404 Ca 0.29 0.07 -0.06 0.00 0.02 0.00 0.00 56.10 56.43 1uon s TRP 404 Cb 0.15 -1.63 0.12 0.00 -1.15 0.00 0.00 33.47 30.96 1uon s TRP 404 CO 0.23 0.51 0.77 0.25 0.02 0.00 0.00 176.95 178.73 1uon n THR 405 N 0.75 0.00 -1.38 2.01 -2.24 -0.52 -4.90 114.28 108.00 1uon n THR 405 Ca -0.11 -0.80 -0.29 0.00 -2.27 0.00 0.00 64.05 60.57 1uon n THR 405 Cb 0.52 -1.41 0.13 0.00 -2.10 0.00 0.00 70.33 67.47 1uon n THR 405 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1uon s GLY 406 N -4.57 1.60 0.78 3.38 0.00 -0.92 -4.65 107.32 102.95 1uon s GLY 406 Ca 0.46 -0.28 -0.12 0.00 0.00 0.00 0.00 44.72 44.78 1uon s GLY 406 CO 0.32 0.23 1.14 -4.14 0.00 0.00 0.00 173.10 170.65 1uon s PRO 407 N -5.09 1.97 -0.43 2.90 0.02 -1.26 -3.55 135.00 129.57 1uon s PRO 407 Ca 0.63 1.45 0.04 0.00 0.02 0.00 0.00 61.00 63.15 1uon s PRO 407 Cb -0.16 -1.84 0.18 0.00 0.02 0.00 0.00 34.50 32.69 1uon s PRO 407 CO 0.55 -1.90 0.37 -0.89 -0.33 0.00 0.00 177.00 174.80 1uon n ILE 408 N -3.35 -0.97 0.00 2.83 5.41 0.97 0.11 119.36 124.36 1uon n ILE 408 Ca 0.11 -3.58 0.00 0.00 1.00 0.00 0.00 62.75 60.28 1uon n ILE 408 Cb 0.52 -1.72 0.00 0.00 -0.71 0.00 0.00 39.64 37.73 1uon n ILE 408 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1uon n GLY 409 N 2.64 1.68 0.00 7.39 0.00 0.07 -2.52 105.19 114.45 1uon n GLY 409 Ca 0.29 -0.20 0.10 0.00 0.00 0.00 0.00 46.02 46.21 1uon n GLY 409 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1uon n GLU 410 N 0.70 0.01 -4.26 1.61 -0.58 -1.26 -4.96 120.64 111.89 1uon n GLU 410 Ca 0.00 -0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.50 1uon n GLU 410 Cb 0.00 -1.50 -0.07 0.00 -0.57 0.00 0.00 31.44 29.30 1uon n GLU 410 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 1uon s ILE 411 N -3.01 3.60 -0.05 -3.67 -5.25 -1.05 -4.92 121.20 106.86 1uon s ILE 411 Ca 0.08 -1.76 0.02 0.00 -0.99 0.00 0.00 60.65 58.00 1uon s ILE 411 Cb 0.16 -2.90 0.01 0.00 2.95 0.00 0.00 42.46 42.68 1uon s ILE 411 CO 0.87 -0.32 -0.10 -0.13 -1.79 0.00 0.00 174.94 173.47 1uon s ARG 412 N -3.54 1.29 0.31 0.37 0.52 -1.26 -0.02 118.95 116.62 1uon s ARG 412 Ca 0.31 -0.33 -0.27 0.00 -0.52 0.00 0.00 55.73 54.92 1uon s ARG 412 Cb -0.07 -1.14 -0.10 0.00 0.52 0.00 0.00 34.95 34.17 1uon s ARG 412 CO 0.20 0.05 0.96 0.42 0.02 0.00 0.00 175.30 176.95 1uon s ILE 413 N 0.52 4.11 -0.55 1.52 1.01 -1.26 -4.78 121.20 121.77 1uon s ILE 413 Ca -0.10 1.82 -0.26 0.00 0.00 0.00 0.00 60.65 62.11 1uon s ILE 413 Cb -0.13 -4.04 0.04 0.00 0.01 0.00 0.00 42.46 38.33 1uon s ILE 413 CO 0.02 0.21 1.05 -0.22 0.00 0.00 0.00 174.94 176.00 1uon s LEU 414 N -1.91 3.81 0.31 2.97 0.20 -1.26 -1.44 118.68 121.36 1uon s LEU 414 Ca 0.49 -0.10 -0.27 0.00 0.69 0.00 0.00 54.13 54.94 1uon s LEU 414 Cb -0.21 -3.02 -0.14 0.00 -0.43 0.00 0.00 46.19 42.39 1uon s LEU 414 CO 0.26 -1.32 0.94 0.29 -0.29 0.00 0.00 176.35 176.23 1uon n LYS 415 N 7.86 1.20 0.00 1.98 5.02 -0.31 -4.82 118.16 129.10 1uon n LYS 415 Ca 0.05 0.42 0.07 0.00 -2.02 0.00 0.00 58.31 56.83 1uon n LYS 415 Cb 0.48 -1.79 0.41 0.00 -0.02 0.00 0.00 35.03 34.12 1uon n LYS 415 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1uon n ASP 416 N 1.19 0.00 -1.21 4.39 5.68 -1.26 -2.26 116.55 123.08 1uon n ASP 416 Ca 0.10 -0.72 0.12 0.00 -0.50 0.00 0.00 54.79 53.78 1uon n ASP 416 Cb 0.33 0.00 0.25 0.00 -1.14 0.00 0.00 41.12 40.56 1uon n ASP 416 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1uon n THR 417 N -0.88 0.71 -2.20 2.12 -2.24 -1.26 -4.97 114.28 105.57 1uon n THR 417 Ca 0.10 -0.86 -0.41 0.00 -2.27 0.00 0.00 64.05 60.62 1uon n THR 417 Cb 0.05 0.78 -0.03 0.00 -2.10 0.00 0.00 70.33 69.03 1uon n THR 417 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1uon s THR 418 N -1.27 3.05 -2.46 4.28 -1.32 -0.96 -4.89 115.64 112.09 1uon s THR 418 Ca 0.42 0.94 0.23 0.00 -1.21 0.00 0.00 61.69 62.06 1uon s THR 418 Cb 0.23 -3.60 0.42 0.00 -1.51 0.00 0.00 72.50 68.05 1uon s THR 418 CO 0.32 0.17 1.49 -1.54 -2.21 0.00 0.00 174.62 172.85 1uon n SER 419 N 1.94 2.38 -4.78 8.08 3.41 -1.26 -4.88 113.62 118.51 1uon n SER 419 Ca 0.04 -1.81 -0.33 0.00 -0.26 0.00 0.00 58.87 56.50 1uon n SER 419 Cb 0.42 -0.13 0.02 0.00 -0.26 0.00 0.00 64.21 64.27 1uon n SER 419 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1uon s SER 420 N -1.64 5.53 0.26 4.04 0.15 -1.26 -4.92 113.70 115.86 1uon s SER 420 Ca 0.34 1.99 0.24 0.00 0.70 0.00 0.00 55.95 59.22 1uon s SER 420 Cb 0.20 -2.55 0.99 0.00 -1.71 0.00 0.00 66.02 62.94 1uon s SER 420 CO 0.29 -1.34 1.72 0.00 1.20 0.00 0.00 173.24 175.11 1uon n ILE 421 N -1.93 0.82 0.31 6.45 0.13 -1.26 -2.03 119.36 121.85 1uon n ILE 421 Ca 0.10 0.22 0.19 0.00 -1.10 0.00 0.00 62.75 62.16 1uon n ILE 421 Cb 0.52 -1.16 1.00 0.00 -0.84 0.00 0.00 39.64 39.16 1uon n ILE 421 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1uon h ALA 422 N 2.26 1.18 -0.62 1.51 0.00 -1.96 -2.54 119.26 119.09 1uon h ALA 422 Ca 0.00 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.00 1uon h ALA 422 Cb 0.37 -0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.04 1uon h ALA 422 CO 0.00 0.03 -0.27 -0.09 0.00 0.00 0.00 179.25 178.91 1uon h ARG 423 N 0.00 -0.10 -0.37 0.00 2.43 -1.75 0.73 114.38 115.31 1uon h ARG 423 Ca -0.00 0.01 -0.16 0.00 -0.81 0.00 0.00 59.98 59.02 1uon h ARG 423 Cb 0.12 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1uon h ARG 423 CO 0.00 -0.07 -0.39 1.88 -1.51 0.00 0.00 179.97 179.89 1uon h TYR 424 N -0.11 1.08 -0.84 2.20 0.05 -1.70 -2.21 116.97 115.45 1uon h TYR 424 Ca 0.27 -0.32 -0.02 0.00 0.05 0.00 0.00 58.73 58.71 1uon h TYR 424 Cb 0.53 -0.23 -0.04 0.00 1.01 0.00 0.00 36.73 38.01 1uon h TYR 424 CO -0.60 1.14 0.45 1.25 -1.05 0.00 0.00 178.16 179.34 1uon h LEU 425 N 0.74 1.06 -0.43 3.88 5.85 -1.46 -2.51 115.31 122.44 1uon h LEU 425 Ca 0.06 -0.11 -0.12 0.00 0.84 0.00 0.00 57.88 58.56 1uon h LEU 425 Cb 0.97 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1uon h LEU 425 CO 0.09 0.86 -0.19 0.22 -0.34 0.00 0.00 178.44 179.08 1uon h TYR 426 N 1.17 1.02 -0.55 1.25 5.03 -0.78 -2.96 116.97 121.14 1uon h TYR 426 Ca 0.29 -0.25 -0.01 0.00 2.58 0.00 0.00 58.73 61.34 1uon h TYR 426 Cb 0.05 -0.24 -0.03 0.00 1.55 0.00 0.00 36.73 38.07 1uon h TYR 426 CO 0.01 1.03 0.29 -0.09 -1.32 0.00 0.00 178.16 178.08 1uon h ARG 427 N 0.71 0.78 0.06 1.82 2.43 -1.16 -1.19 114.38 117.83 1uon h ARG 427 Ca 0.10 -0.10 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1uon h ARG 427 Cb 0.76 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1uon h ARG 427 CO 0.06 0.61 -0.03 1.15 -1.51 0.00 0.00 179.97 180.26 1uon h THR 428 N 0.75 1.00 -0.21 0.20 2.02 -1.46 0.19 112.91 115.40 1uon h THR 428 Ca 0.19 -0.20 -0.06 0.00 0.77 0.00 0.00 66.41 67.11 1uon h THR 428 Cb 0.07 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 1uon h THR 428 CO -0.03 0.05 -0.15 -0.50 0.37 0.00 0.00 175.52 175.26 1uon h TRP 429 N -0.17 0.38 0.06 3.16 4.06 -1.46 -1.11 115.95 120.87 1uon h TRP 429 Ca -0.01 -0.05 -0.00 0.00 2.06 0.00 0.00 58.89 60.88 1uon h TRP 429 Cb 0.14 -0.10 0.00 0.00 -1.00 0.00 0.00 29.16 28.20 1uon h TRP 429 CO -0.05 0.50 -0.03 -0.92 -3.56 0.00 0.00 178.44 174.38 1uon h TYR 430 N 0.33 -0.07 0.25 0.49 3.20 -1.00 0.60 116.97 120.77 1uon h TYR 430 Ca 0.06 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1uon h TYR 430 Cb 0.47 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.74 1uon h TYR 430 CO 0.01 0.23 -0.28 1.25 -1.64 0.00 0.00 178.16 177.73 1uon h LEU 431 N -0.38 -0.77 -1.01 2.82 7.12 -0.78 -1.26 115.31 121.04 1uon h LEU 431 Ca -0.01 0.07 0.02 0.00 0.13 0.00 0.00 57.88 58.10 1uon h LEU 431 Cb 0.34 0.27 -0.05 0.00 -0.53 0.00 0.00 40.66 40.69 1uon h LEU 431 CO 0.01 -0.40 0.66 0.00 -0.13 0.00 0.00 178.44 178.59 1uon h ALA 432 N 0.04 1.30 -0.04 1.25 0.00 -1.22 -1.74 119.26 118.85 1uon h ALA 432 Ca -0.00 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1uon h ALA 432 Cb 0.55 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1uon h ALA 432 CO -0.08 0.62 -0.05 0.00 0.00 0.00 0.00 179.25 179.74 1uon h ALA 433 N 1.39 -0.02 -0.21 0.00 0.00 -0.45 -0.20 119.26 119.76 1uon h ALA 433 Ca 0.38 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.32 1uon h ALA 433 Cb -0.09 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1uon h ALA 433 CO -0.10 -0.53 0.11 0.00 0.00 0.00 0.00 179.25 178.73 1uon h ALA 434 N 0.96 0.26 -0.51 0.00 0.00 -0.90 -0.48 119.26 118.59 1uon h ALA 434 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1uon h ALA 434 Cb 0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1uon h ALA 434 CO -0.09 -0.29 0.18 0.00 0.00 0.00 0.00 179.25 179.05 1uon h ARG 435 N 0.24 0.77 0.65 0.00 3.08 -1.16 0.08 114.38 118.03 1uon h ARG 435 Ca 0.09 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 1uon h ARG 435 Cb 0.01 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 29.95 1uon h ARG 435 CO -0.05 0.70 -0.31 1.98 -1.07 0.00 0.00 179.97 181.22 1uon h MET 436 N 0.68 -0.84 0.00 0.04 4.05 -0.89 -2.05 114.93 115.92 1uon h MET 436 Ca 0.17 0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.64 1uon h MET 436 Cb 0.23 0.19 0.00 0.00 -0.80 0.00 0.00 31.60 31.22 1uon h MET 436 CO -0.01 -0.56 0.00 0.00 0.23 0.00 0.00 176.91 176.57 1uon h ALA 437 N -0.51 1.00 0.00 0.39 0.00 -1.00 -1.74 119.26 117.40 1uon h ALA 437 Ca -0.09 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 1uon h ALA 437 Cb 0.67 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1uon h ALA 437 CO 0.15 0.00 -0.78 0.00 0.00 0.00 0.00 179.25 178.62 1uon h ALA 438 N 2.03 0.61 -2.78 0.00 0.00 -0.32 -3.43 119.26 115.38 1uon h ALA 438 Ca 0.00 -0.63 -0.53 0.00 0.00 0.00 0.00 54.91 53.75 1uon h ALA 438 Cb 0.11 -0.02 0.08 0.00 0.00 0.00 0.00 17.79 17.97 1uon h ALA 438 CO 0.00 0.81 0.89 1.04 0.00 0.00 0.00 179.25 181.99 1uon n GLN 439 N -3.19 2.72 -0.16 0.00 6.02 -0.65 -4.91 117.38 117.21 1uon n GLN 439 Ca -0.01 0.97 -0.03 0.00 -0.01 0.00 0.00 57.00 57.92 1uon n GLN 439 Cb 0.80 -2.76 0.18 0.00 1.02 0.00 0.00 30.24 29.48 1uon n GLN 439 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1uon h PRO 440 N 4.89 0.90 -0.98 -1.09 0.11 -1.89 -2.79 132.00 131.16 1uon h PRO 440 Ca -0.47 -0.17 0.12 0.00 0.11 0.00 0.00 66.00 65.60 1uon h PRO 440 Cb 1.22 -0.14 -0.08 0.00 0.11 0.00 0.00 31.00 32.11 1uon h PRO 440 CO 0.80 0.77 0.62 -0.09 -0.21 0.00 0.00 178.00 179.89 1uon h ARG 441 N 0.87 0.92 -0.93 1.05 2.43 -1.94 -0.61 114.38 116.17 1uon h ARG 441 Ca 0.20 -0.06 0.26 0.00 -0.81 0.00 0.00 59.98 59.57 1uon h ARG 441 Cb 0.24 -0.21 -0.05 0.00 -0.42 0.00 0.00 29.97 29.54 1uon h ARG 441 CO -0.01 0.61 0.65 1.15 -1.51 0.00 0.00 179.97 180.86 1uon h THR 442 N 0.95 0.56 -0.61 0.20 2.02 -1.79 0.15 112.91 114.40 1uon h THR 442 Ca 0.48 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.63 1uon h THR 442 Cb 0.51 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1uon h THR 442 CO -0.25 0.02 0.00 0.79 0.37 0.00 0.00 175.52 176.45 1uon n TRP 443 N -4.33 1.92 -3.50 3.16 7.02 -0.24 -4.72 117.44 116.76 1uon n TRP 443 Ca 0.20 -0.69 -0.37 0.00 -1.02 0.00 0.00 57.50 55.61 1uon n TRP 443 Cb 0.93 -0.43 -0.08 0.00 -2.42 0.00 0.00 31.31 29.30 1uon n TRP 443 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1uon s ASP 444 N -0.81 6.34 0.46 -0.99 -1.08 0.54 -4.97 116.67 116.16 1uon s ASP 444 Ca 0.54 0.40 0.30 0.00 -0.52 0.00 0.00 52.55 53.27 1uon s ASP 444 Cb 0.39 -2.18 1.39 0.00 -1.46 0.00 0.00 42.92 41.06 1uon s ASP 444 CO 0.19 -0.00 1.68 -0.65 0.52 0.00 0.00 175.17 176.91 1uon h PRO 445 N 7.27 0.14 0.02 4.34 0.11 -1.91 0.04 132.00 142.01 1uon h PRO 445 Ca -0.38 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.72 1uon h PRO 445 Cb 1.16 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1uon h PRO 445 CO 0.71 0.09 -0.01 1.25 -0.21 0.00 0.00 178.00 179.83 1uon h LEU 446 N 0.15 -0.03 -0.78 2.35 5.85 -1.93 -1.22 115.31 119.69 1uon h LEU 446 Ca 0.73 -0.36 0.10 0.00 0.84 0.00 0.00 57.88 59.19 1uon h LEU 446 Cb 2.37 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 43.33 1uon h LEU 446 CO -0.28 0.35 0.41 0.15 -0.34 0.00 0.00 178.44 178.73 1uon h PHE 447 N -0.41 0.74 0.00 1.25 3.57 -1.27 0.16 116.94 120.98 1uon h PHE 447 Ca -0.00 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 1uon h PHE 447 Cb 0.39 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1uon h PHE 447 CO 0.05 0.27 -0.20 1.96 -2.23 0.00 0.00 178.31 178.16 1uon h GLN 448 N 0.68 0.00 0.02 1.11 4.20 -1.34 -1.51 115.11 118.26 1uon h GLN 448 Ca 0.39 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.89 1uon h GLN 448 Cb 0.42 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.22 1uon h GLN 448 CO -0.28 0.20 -0.83 0.00 -0.67 0.00 0.00 178.83 177.26 1uon h ALA 449 N 1.80 0.08 -0.81 3.87 0.00 0.27 -0.72 119.26 123.74 1uon h ALA 449 Ca -0.00 -0.64 0.03 0.00 0.00 0.00 0.00 54.91 54.30 1uon h ALA 449 Cb 0.79 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 1uon h ALA 449 CO 0.03 0.50 0.52 0.82 0.00 0.00 0.00 179.25 181.12 1uon h ILE 450 N 0.09 1.14 -0.44 0.00 2.04 -0.52 0.28 117.51 120.11 1uon h ILE 450 Ca -0.11 -0.35 -0.14 0.00 1.00 0.00 0.00 64.86 65.26 1uon h ILE 450 Cb 1.52 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1uon h ILE 450 CO 0.16 0.19 -0.25 0.24 0.00 0.00 0.00 178.15 178.49 1uon h MET 451 N 1.02 0.95 0.00 2.37 2.86 -1.26 -0.98 114.93 119.89 1uon h MET 451 Ca 0.32 -0.43 -0.02 0.00 -2.06 0.00 0.00 59.70 57.50 1uon h MET 451 Cb -0.02 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.62 1uon h MET 451 CO -0.10 1.10 -0.12 0.00 1.06 0.00 0.00 176.91 178.84 1uon h ARG 452 N 0.78 0.00 0.00 1.72 3.08 -0.53 -2.97 114.38 116.47 1uon h ARG 452 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1uon h ARG 452 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.88 1uon h ARG 452 CO 0.07 0.12 -0.80 0.66 -1.07 0.00 0.00 179.97 178.95 1uon h SER 453 N 0.00 0.00 -0.36 7.04 4.64 0.03 -3.39 113.55 121.51 1uon h SER 453 Ca -0.00 -0.19 0.06 0.00 -0.47 0.00 0.00 61.79 61.19 1uon h SER 453 Cb 0.61 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.64 1uon h SER 453 CO 0.02 0.10 0.01 -0.61 -0.87 0.00 0.00 176.83 175.47 1uon h GLN 454 N 0.00 0.10 -0.26 4.77 4.15 -1.02 -2.45 115.11 120.42 1uon h GLN 454 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1uon h GLN 454 Cb 0.81 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.47 1uon h GLN 454 CO 0.00 0.07 0.00 2.48 -1.93 0.00 0.00 178.83 179.45 1uon n TYR 455 N -5.17 0.33 -2.95 3.99 0.18 -1.26 -4.63 117.16 107.65 1uon n TYR 455 Ca 0.02 -0.17 -0.44 0.00 1.88 0.00 0.00 57.90 59.19 1uon n TYR 455 Cb 0.19 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.12 1uon n TYR 455 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1uon s VAL 456 N -1.67 4.69 0.21 -3.48 1.01 -0.92 -4.79 120.40 115.45 1uon s VAL 456 Ca 0.30 -1.30 0.01 0.00 0.00 0.00 0.00 61.98 60.99 1uon s VAL 456 Cb 0.16 -4.72 -0.05 0.00 0.00 0.00 0.00 36.38 31.78 1uon s VAL 456 CO 0.23 -1.44 0.07 0.42 0.00 0.00 0.00 175.10 174.39 1uon s THR 457 N 2.87 0.43 -2.00 3.92 -4.23 -1.26 -4.83 115.64 110.54 1uon s THR 457 Ca 0.28 -1.98 0.10 0.00 -1.18 0.00 0.00 61.69 58.91 1uon s THR 457 Cb -0.10 -2.39 0.30 0.00 1.34 0.00 0.00 72.50 71.65 1uon s THR 457 CO -0.04 -0.19 1.24 0.00 -0.54 0.00 0.00 174.62 175.09 1uon n ALA 458 N -0.32 2.36 -1.99 3.99 0.00 -1.26 -2.18 120.51 121.11 1uon n ALA 458 Ca -0.02 -0.07 -0.20 0.00 0.00 0.00 0.00 53.44 53.15 1uon n ALA 458 Cb 0.65 -1.17 0.04 0.00 0.00 0.00 0.00 19.45 18.97 1uon n ALA 458 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1uon s ARG 459 N -2.00 2.47 0.70 0.00 1.81 -1.26 -4.82 118.95 115.85 1uon s ARG 459 Ca 0.16 -1.02 -0.11 0.00 -1.72 0.00 0.00 55.73 53.04 1uon s ARG 459 Cb 0.07 -2.55 0.01 0.00 -0.45 0.00 0.00 34.95 32.03 1uon s ARG 459 CO 0.12 -0.72 1.06 0.20 -0.68 0.00 0.00 175.30 175.28 1uon s GLY 460 N -4.47 1.66 -0.29 -3.53 0.00 -1.26 -1.50 107.32 97.93 1uon s GLY 460 Ca 0.58 0.01 0.18 0.00 0.00 0.00 0.00 44.72 45.49 1uon s GLY 460 CO 0.38 0.32 1.33 0.61 0.00 0.00 0.00 173.10 175.75 1uon n GLY 461 N -2.17 1.89 3.72 0.20 0.00 -1.26 -4.71 105.19 102.86 1uon n GLY 461 Ca 0.07 -0.59 -0.23 0.00 0.00 0.00 0.00 46.02 45.27 1uon n GLY 461 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uon n SER 462 N -1.07 -2.67 -0.22 1.61 7.64 -1.19 -3.45 113.62 114.27 1uon n SER 462 Ca -0.06 -0.76 0.03 0.00 1.01 0.00 0.00 58.87 59.08 1uon n SER 462 Cb 0.84 -4.21 0.14 0.00 -1.01 0.00 0.00 64.21 59.98 1uon n SER 462 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1uon h GLY 463 N -2.00 0.88 0.91 0.23 0.00 -1.92 -2.54 103.07 98.63 1uon h GLY 463 Ca -0.60 -0.03 -0.00 0.00 0.00 0.00 0.00 47.33 46.71 1uon h GLY 463 CO 0.59 -0.16 0.03 0.00 0.00 0.00 0.00 176.54 177.00 1uon h ALA 464 N 1.55 0.08 -0.83 3.60 0.00 -1.96 -2.32 119.26 119.37 1uon h ALA 464 Ca 0.36 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.26 1uon h ALA 464 Cb 0.58 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 1uon h ALA 464 CO -0.46 -0.38 0.55 0.00 0.00 0.00 0.00 179.25 178.96 1uon h ALA 465 N 0.93 1.51 -0.32 0.00 0.00 -1.85 -2.15 119.26 117.38 1uon h ALA 465 Ca 0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1uon h ALA 465 Cb 0.10 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1uon h ALA 465 CO -0.00 0.40 0.07 1.25 0.00 0.00 0.00 179.25 180.97 1uon h LEU 466 N 1.01 0.49 -1.10 0.00 6.46 -1.28 0.59 115.31 121.48 1uon h LEU 466 Ca 0.34 -0.24 0.08 0.00 -0.12 0.00 0.00 57.88 57.93 1uon h LEU 466 Cb 0.07 -0.13 -0.07 0.00 -0.73 0.00 0.00 40.66 39.80 1uon h LEU 466 CO -0.10 0.61 0.61 -0.09 -0.62 0.00 0.00 178.44 178.85 1uon h ARG 467 N 0.35 1.00 0.03 1.25 2.43 -0.86 -1.45 114.38 117.14 1uon h ARG 467 Ca 0.10 -0.06 -0.24 0.00 -0.81 0.00 0.00 59.98 58.96 1uon h ARG 467 Cb 0.32 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 1uon h ARG 467 CO 0.00 0.66 -1.21 1.05 -1.51 0.00 0.00 179.97 178.96 1uon h GLU 468 N 1.03 0.06 0.00 0.20 4.11 -1.17 -1.08 114.58 117.74 1uon h GLU 468 Ca 0.42 -0.11 -0.03 0.00 0.07 0.00 0.00 59.36 59.71 1uon h GLU 468 Cb 0.29 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 1uon h GLU 468 CO -0.18 0.95 -0.16 0.66 0.07 0.00 0.00 179.01 180.36 1uon h SER 469 N 0.02 0.00 0.40 3.06 4.64 -0.49 -1.61 113.55 119.57 1uon h SER 469 Ca -0.10 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.90 1uon h SER 469 Cb 1.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.96 1uon h SER 469 CO 0.13 0.16 -1.55 0.25 -0.87 0.00 0.00 176.83 174.96 1uon h LEU 470 N 0.00 0.48 -1.85 5.97 5.85 -1.22 -3.27 115.31 121.27 1uon h LEU 470 Ca -0.00 -0.64 -0.01 0.00 0.84 0.00 0.00 57.88 58.07 1uon h LEU 470 Cb 0.53 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 1uon h LEU 470 CO 0.02 1.53 -0.00 0.22 -0.34 0.00 0.00 178.44 179.87 1uon h TYR 471 N 0.08 0.08 0.00 1.25 5.03 -0.57 -1.52 116.97 121.33 1uon h TYR 471 Ca -0.26 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.05 1uon h TYR 471 Cb 2.04 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 40.30 1uon h TYR 471 CO 0.08 0.10 0.00 0.00 -1.32 0.00 0.00 178.16 177.01 1uon h ALA 472 N 1.91 1.00 0.00 1.82 0.00 -1.36 -0.72 119.26 121.91 1uon h ALA 472 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1uon h ALA 472 Cb 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1uon h ALA 472 CO 0.00 0.00 -0.15 0.44 0.00 0.00 0.00 179.25 179.54 1uon n ILE 473 N -2.56 1.84 -3.55 0.00 -5.35 -0.62 -5.00 119.36 104.12 1uon n ILE 473 Ca -0.01 -2.35 -0.20 0.00 -0.27 0.00 0.00 62.75 59.92 1uon n ILE 473 Cb 0.09 -0.18 0.07 0.00 -1.74 0.00 0.00 39.64 37.88 1uon n ILE 473 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1uon n ASN 474 N -1.27 -2.49 -3.85 7.28 2.85 -0.28 -5.00 115.26 112.50 1uon n ASN 474 Ca 0.16 -0.67 -0.30 0.00 -0.11 0.00 0.00 54.58 53.65 1uon n ASN 474 Cb 0.66 -4.77 -0.15 0.00 1.24 0.00 0.00 39.78 36.76 1uon n ASN 474 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1uon s VAL 475 N -3.43 1.48 -0.13 3.44 1.01 -0.91 -5.02 120.40 116.85 1uon s VAL 475 Ca 0.11 -1.83 -0.17 0.00 0.00 0.00 0.00 61.98 60.09 1uon s VAL 475 Cb -0.05 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 1uon s VAL 475 CO 0.76 -0.65 0.45 -0.94 0.00 0.00 0.00 175.10 174.72 1uon s SER 476 N 1.28 6.64 0.47 3.32 1.04 -1.26 -4.00 113.70 121.18 1uon s SER 476 Ca 0.10 0.76 -0.07 0.00 0.48 0.00 0.00 55.95 57.22 1uon s SER 476 Cb -0.18 -2.27 -0.04 0.00 0.10 0.00 0.00 66.02 63.63 1uon s SER 476 CO -0.17 0.01 0.79 -0.76 0.98 0.00 0.00 173.24 174.09 1uon s LEU 477 N 0.66 3.65 0.40 2.42 1.43 -1.26 -5.03 118.68 120.94 1uon s LEU 477 Ca 0.24 1.00 -0.27 0.00 -1.03 0.00 0.00 54.13 54.08 1uon s LEU 477 Cb -0.15 -3.95 -0.09 0.00 0.03 0.00 0.00 46.19 42.03 1uon s LEU 477 CO 0.09 -0.55 1.36 -2.84 0.23 0.00 0.00 176.35 174.64 1uon s PRO 478 N -4.55 4.00 -0.01 1.29 0.02 -1.26 -4.91 135.00 129.59 1uon s PRO 478 Ca 0.49 2.28 0.19 0.00 0.02 0.00 0.00 61.00 63.98 1uon s PRO 478 Cb -0.10 -2.83 -0.24 0.00 0.02 0.00 0.00 34.50 31.36 1uon s PRO 478 CO 0.42 -0.51 0.70 -0.40 -0.33 0.00 0.00 177.00 176.89 1uon n ASP 479 N 0.23 0.78 -3.88 2.53 5.75 -1.26 -4.81 116.55 115.89 1uon n ASP 479 Ca 0.03 -0.68 -0.25 0.00 -0.01 0.00 0.00 54.79 53.88 1uon n ASP 479 Cb 0.42 1.26 -0.00 0.00 -1.03 0.00 0.00 41.12 41.77 1uon n ASP 479 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1uon n PHE 480 N -1.66 -1.75 -1.68 2.11 3.72 -1.26 -4.78 117.46 112.16 1uon n PHE 480 Ca 0.02 0.78 -0.49 0.00 -0.05 0.00 0.00 57.45 57.71 1uon n PHE 480 Cb 0.36 -3.93 -0.05 0.00 -0.94 0.00 0.00 39.48 34.92 1uon n PHE 480 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1uon n LYS 481 N -4.37 2.02 0.00 -1.08 4.81 -1.26 -2.66 118.16 115.63 1uon n LYS 481 Ca -0.29 0.74 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 1uon n LYS 481 Cb 0.67 -2.55 0.00 0.00 0.02 0.00 0.00 35.03 33.17 1uon n LYS 481 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1uon n GLY 482 N 4.20 0.73 3.75 3.14 0.00 -1.26 -4.95 105.19 110.81 1uon n GLY 482 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 1uon n GLY 482 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uon s LEU 483 N 0.00 4.40 0.00 0.99 1.43 -1.09 -4.39 118.68 120.02 1uon s LEU 483 Ca 0.00 1.19 0.00 0.00 -1.03 0.00 0.00 54.13 54.29 1uon s LEU 483 Cb 0.00 -2.98 0.00 0.00 0.03 0.00 0.00 46.19 43.24 1uon s LEU 483 CO 0.00 0.06 0.43 -2.65 0.23 0.00 0.00 176.35 174.42 1uon n PRO 484 N 2.91 0.61 -4.11 1.29 -0.02 -1.26 -4.83 135.00 129.59 1uon n PRO 484 Ca -0.06 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.19 1uon n PRO 484 Cb 0.51 -1.26 -0.05 0.00 -0.02 0.00 0.00 33.50 32.68 1uon n PRO 484 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1uon s VAL 485 N -0.41 4.42 0.01 -1.45 -7.23 -1.26 -4.62 120.40 109.86 1uon s VAL 485 Ca 0.00 -1.28 -0.30 0.00 -1.81 0.00 0.00 61.98 58.59 1uon s VAL 485 Cb 0.00 -3.33 -0.04 0.00 0.56 0.00 0.00 36.38 33.57 1uon s VAL 485 CO 0.00 -0.24 1.13 -0.75 -0.31 0.00 0.00 175.10 174.93 1uon s LYS 486 N -3.50 4.44 0.25 4.82 2.20 -0.42 -4.93 119.74 122.60 1uon s LYS 486 Ca 0.32 1.63 0.11 0.00 -0.36 0.00 0.00 55.97 57.67 1uon s LYS 486 Cb -0.09 -3.44 0.25 0.00 -1.51 0.00 0.00 37.83 33.04 1uon s LYS 486 CO 0.24 -0.25 1.54 0.00 -0.36 0.00 0.00 175.35 176.52 1uon h ALA 487 N 6.98 0.81 -0.07 3.13 0.00 -1.95 -3.34 119.26 124.82 1uon h ALA 487 Ca -0.39 -0.61 -0.29 0.00 0.00 0.00 0.00 54.91 53.63 1uon h ALA 487 Cb 1.20 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.81 1uon h ALA 487 CO 0.82 0.84 0.20 0.00 0.00 0.00 0.00 179.25 181.10 1uon n ALA 488 N -2.37 6.52 -2.67 0.00 0.00 -1.26 -4.63 120.51 116.10 1uon n ALA 488 Ca -0.01 -2.19 -0.19 0.00 0.00 0.00 0.00 53.44 51.05 1uon n ALA 488 Cb 0.69 -2.42 -0.13 0.00 0.00 0.00 0.00 19.45 17.59 1uon n ALA 488 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1uon s THR 489 N 0.72 1.15 0.44 0.00 -4.23 -1.26 -3.98 115.64 108.47 1uon s THR 489 Ca 0.66 -1.19 0.38 0.00 -1.18 0.00 0.00 61.69 60.36 1uon s THR 489 Cb 0.31 -1.07 0.40 0.00 1.34 0.00 0.00 72.50 73.48 1uon s THR 489 CO -0.03 -0.12 2.19 0.11 -0.54 0.00 0.00 174.62 176.23 1uon h LYS 490 N 4.55 0.00 -0.50 3.99 1.57 -0.93 -0.91 116.57 124.33 1uon h LYS 490 Ca -0.40 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.30 1uon h LYS 490 Cb 1.19 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.48 1uon h LYS 490 CO 0.42 0.02 0.00 0.82 -0.57 0.00 0.00 179.45 180.14 1uon h ILE 491 N 0.00 1.26 -0.42 1.86 2.04 -1.71 0.27 117.51 120.81 1uon h ILE 491 Ca -0.00 -1.08 -0.06 0.00 1.00 0.00 0.00 64.86 64.72 1uon h ILE 491 Cb 0.22 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1uon h ILE 491 CO 0.00 0.38 0.03 0.15 0.00 0.00 0.00 178.15 178.71 1uon h PHE 492 N 0.75 0.79 -0.57 1.37 3.57 -1.47 -2.31 116.94 119.08 1uon h PHE 492 Ca 0.14 -0.13 0.06 0.00 3.53 0.00 0.00 57.97 61.58 1uon h PHE 492 Cb 0.52 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 38.99 1uon h PHE 492 CO 0.04 0.78 0.27 1.96 -2.23 0.00 0.00 178.31 179.13 1uon h GLN 493 N 0.58 0.50 -0.58 1.11 4.20 -0.83 -1.16 115.11 118.92 1uon h GLN 493 Ca 0.12 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.81 1uon h GLN 493 Cb 0.45 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 1uon h GLN 493 CO 0.02 0.33 0.38 0.00 -0.67 0.00 0.00 178.83 178.89 1uon h ALA 494 N 1.33 0.74 -0.44 3.87 0.00 -0.21 -1.28 119.26 123.27 1uon h ALA 494 Ca 0.26 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1uon h ALA 494 Cb 0.21 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1uon h ALA 494 CO -0.20 0.16 0.10 0.00 0.00 0.00 0.00 179.25 179.31 1uon h ALA 495 N 1.22 1.35 -0.21 0.00 0.00 -0.82 0.17 119.26 120.98 1uon h ALA 495 Ca 0.22 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 1uon h ALA 495 Cb -0.08 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1uon h ALA 495 CO -0.05 0.46 -0.57 1.96 0.00 0.00 0.00 179.25 181.05 1uon h GLN 496 N 0.64 0.65 0.00 0.00 4.20 -0.56 -3.25 115.11 116.79 1uon h GLN 496 Ca 0.15 -0.43 0.00 0.00 0.06 0.00 0.00 58.65 58.43 1uon h GLN 496 Cb 0.25 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1uon h GLN 496 CO -0.00 1.04 -0.60 1.28 -0.67 0.00 0.00 178.83 179.88 1uon n LEU 497 N -3.96 0.61 -0.33 1.46 4.77 -0.55 -4.47 117.00 114.54 1uon n LEU 497 Ca -0.04 0.15 0.26 0.00 -0.03 0.00 0.00 56.01 56.35 1uon n LEU 497 Cb 0.63 -0.21 0.50 0.00 -2.33 0.00 0.00 43.42 42.01 1uon n LEU 497 CO 0.48 0.01 1.05 0.00 -1.33 0.00 0.00 177.39 177.60 1uon h ALA 498 N 2.67 1.93 -0.60 -1.18 0.00 -0.70 -2.32 119.26 119.07 1uon h ALA 498 Ca 0.00 0.25 -0.40 0.00 0.00 0.00 0.00 54.91 54.76 1uon h ALA 498 Cb 0.66 0.30 -0.26 0.00 0.00 0.00 0.00 17.79 18.49 1uon h ALA 498 CO 0.00 -0.75 -0.20 0.09 0.00 0.00 0.00 179.25 178.38 1uon n ASN 499 N -5.21 4.26 -4.20 0.00 3.02 -1.26 -4.54 115.26 107.32 1uon n ASN 499 Ca 0.33 -3.79 -0.28 0.00 -0.03 0.00 0.00 54.58 50.81 1uon n ASN 499 Cb 1.09 -0.59 -0.16 0.00 -0.61 0.00 0.00 39.78 39.51 1uon n ASN 499 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1uon s LEU 500 N -3.49 2.00 0.48 3.41 1.43 -0.87 -5.12 118.68 116.51 1uon s LEU 500 Ca 0.50 -0.42 -0.23 0.00 -1.03 0.00 0.00 54.13 52.95 1uon s LEU 500 Cb 0.43 -1.15 -0.07 0.00 0.03 0.00 0.00 46.19 45.42 1uon s LEU 500 CO 0.01 0.21 1.23 -2.84 0.23 0.00 0.00 176.35 175.19 1uon s PRO 501 N -0.14 3.61 0.45 1.29 0.02 -1.26 -4.90 135.00 134.07 1uon s PRO 501 Ca -0.02 1.93 0.26 0.00 0.02 0.00 0.00 61.00 63.20 1uon s PRO 501 Cb -0.12 -2.40 1.30 0.00 0.02 0.00 0.00 34.50 33.30 1uon s PRO 501 CO 0.02 -0.72 1.75 0.35 -0.33 0.00 0.00 177.00 178.07 1uon h PHE 502 N 1.94 0.44 0.00 6.54 3.57 -1.97 0.18 116.94 127.64 1uon h PHE 502 Ca -0.50 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 60.99 1uon h PHE 502 Cb 1.26 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.88 1uon h PHE 502 CO 0.51 -0.00 -0.12 0.66 -2.23 0.00 0.00 178.31 177.13 1uon h SER 503 N 0.22 0.00 1.24 0.41 4.64 -1.95 -0.37 113.55 117.73 1uon h SER 503 Ca 0.63 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.95 1uon h SER 503 Cb 1.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.04 1uon h SER 503 CO -0.23 0.12 -0.72 0.45 -0.87 0.00 0.00 176.83 175.58 1uon h HIS 504 N 0.00 0.00 -0.01 4.77 3.86 -1.00 -3.35 115.15 119.42 1uon h HIS 504 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1uon h HIS 504 Cb 0.31 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.78 1uon h HIS 504 CO 0.00 0.00 -0.03 0.25 0.86 0.00 0.00 177.93 179.01 1uon n THR 505 N -2.73 0.00 -0.28 2.45 -2.24 -0.99 -4.67 114.28 105.82 1uon n THR 505 Ca 0.01 -0.49 0.06 0.00 -2.27 0.00 0.00 64.05 61.37 1uon n THR 505 Cb 0.53 1.19 0.20 0.00 -2.10 0.00 0.00 70.33 70.16 1uon n THR 505 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1uon h SER 506 N 1.79 0.50 -0.39 3.42 0.02 -1.22 -1.29 113.55 116.39 1uon h SER 506 Ca 0.00 0.09 0.11 0.00 -0.84 0.00 0.00 61.79 61.15 1uon h SER 506 Cb 0.40 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 1uon h SER 506 CO 0.00 0.22 0.29 -0.37 -1.14 0.00 0.00 176.83 175.83 1uon h VAL 507 N 0.61 0.76 0.00 2.27 -1.51 -1.86 -0.56 116.25 115.96 1uon h VAL 507 Ca 0.44 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.91 1uon h VAL 507 Cb 0.59 0.79 -0.00 0.00 -2.13 0.00 0.00 31.29 30.55 1uon h VAL 507 CO -0.35 0.00 -0.00 0.00 -1.23 0.00 0.00 177.57 175.99 1uon h ALA 508 N 1.78 1.14 0.00 5.19 0.00 -1.53 -0.31 119.26 125.53 1uon h ALA 508 Ca 0.19 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1uon h ALA 508 Cb 0.77 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1uon h ALA 508 CO -0.00 0.01 -0.03 0.82 0.00 0.00 0.00 179.25 180.05 1uon h ILE 509 N 0.00 0.24 -0.35 0.00 2.04 -1.24 -1.17 117.51 117.03 1uon h ILE 509 Ca -0.00 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1uon h ILE 509 Cb 0.04 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1uon h ILE 509 CO 0.00 0.03 0.00 0.18 0.00 0.00 0.00 178.15 178.36 1uon n LEU 510 N -3.36 3.00 -4.61 1.44 4.77 -0.13 -4.86 117.00 113.25 1uon n LEU 510 Ca -0.02 -1.71 -0.30 0.00 -0.03 0.00 0.00 56.01 53.95 1uon n LEU 510 Cb 0.15 -0.23 0.20 0.00 -2.33 0.00 0.00 43.42 41.21 1uon n LEU 510 CO 0.25 0.70 0.61 0.00 -1.33 0.00 0.00 177.39 177.63 1uon s ALA 511 N -1.08 0.71 1.17 -1.18 0.00 -0.44 -4.93 121.76 116.00 1uon s ALA 511 Ca 0.28 0.23 -0.15 0.00 0.00 0.00 0.00 51.96 52.32 1uon s ALA 511 Cb 0.16 -3.34 0.27 0.00 0.00 0.00 0.00 23.12 20.21 1uon s ALA 511 CO 0.21 -3.14 1.04 -0.51 0.00 0.00 0.00 175.76 173.37 1uon s ASP 512 N -2.70 1.07 -0.08 0.00 1.01 -1.26 -4.74 116.67 109.95 1uon s ASP 512 Ca 0.67 1.13 0.03 0.00 0.71 0.00 0.00 52.55 55.10 1uon s ASP 512 Cb -0.23 -1.73 0.00 0.00 1.01 0.00 0.00 42.92 41.97 1uon s ASP 512 CO 0.60 -4.09 -0.19 -0.89 0.21 0.00 0.00 175.17 170.81 1uon s THR 513 N -2.68 1.68 0.74 -1.27 2.01 0.80 -4.78 115.64 112.14 1uon s THR 513 Ca 0.68 -0.80 -0.12 0.00 0.31 0.00 0.00 61.69 61.76 1uon s THR 513 Cb -0.19 -1.47 0.03 0.00 0.01 0.00 0.00 72.50 70.88 1uon s THR 513 CO 0.60 0.48 1.12 -0.44 -0.69 0.00 0.00 174.62 175.69 1uon s SER 514 N 0.43 5.15 0.21 3.53 0.01 -1.26 -0.22 113.70 121.55 1uon s SER 514 Ca -0.16 1.02 -0.19 0.00 1.31 0.00 0.00 55.95 57.93 1uon s SER 514 Cb -0.17 -1.72 -0.08 0.00 0.21 0.00 0.00 66.02 64.26 1uon s SER 514 CO 0.07 -1.52 0.69 -0.32 0.41 0.00 0.00 173.24 172.57 1uon s MET 515 N -5.43 4.20 -0.16 12.44 1.75 -1.15 -4.29 119.30 126.67 1uon s MET 515 Ca 0.59 0.80 -0.07 0.00 -1.25 0.00 0.00 55.69 55.76 1uon s MET 515 Cb -0.11 -2.89 0.06 0.00 2.84 0.00 0.00 34.83 34.73 1uon s MET 515 CO 0.51 0.41 0.36 0.20 -0.65 0.00 0.00 175.02 175.85 1uon s GLY 516 N -1.66 -0.27 0.25 2.11 0.00 -1.18 -4.98 107.32 101.59 1uon s GLY 516 Ca 0.42 1.36 0.10 0.00 0.00 0.00 0.00 44.72 46.60 1uon s GLY 516 CO 0.21 1.79 -0.17 1.08 0.00 0.00 0.00 173.10 176.00 1uon s LEU 517 N 1.74 2.58 -0.11 0.66 1.43 -1.26 0.13 118.68 123.85 1uon s LEU 517 Ca -0.07 -1.03 -0.05 0.00 -1.03 0.00 0.00 54.13 51.95 1uon s LEU 517 Cb -0.10 -0.91 0.05 0.00 0.03 0.00 0.00 46.19 45.26 1uon s LEU 517 CO -0.11 -0.06 0.24 -0.60 0.23 0.00 0.00 176.35 176.04 1uon s ARG 518 N -3.57 0.16 0.20 1.70 3.52 -0.90 -4.80 118.95 115.24 1uon s ARG 518 Ca 0.27 0.61 -0.10 0.00 -0.13 0.00 0.00 55.73 56.37 1uon s ARG 518 Cb -0.03 -0.11 -0.07 0.00 -1.56 0.00 0.00 34.95 33.18 1uon s ARG 518 CO 0.12 -0.23 0.53 -0.80 -0.81 0.00 0.00 175.30 174.11 1uon s ASN 519 N 1.80 6.67 0.12 -2.12 0.01 -1.26 -1.57 114.94 118.58 1uon s ASN 519 Ca -0.04 0.93 0.03 0.00 -0.71 0.00 0.00 52.86 53.07 1uon s ASN 519 Cb -0.11 -2.23 -0.04 0.00 0.41 0.00 0.00 41.25 39.28 1uon s ASN 519 CO -0.08 -0.01 -0.08 -1.10 -1.51 0.00 0.00 177.10 174.32 1uon s GLN 520 N -2.55 0.92 0.11 -0.60 -0.21 -1.26 -4.88 119.66 111.18 1uon s GLN 520 Ca 0.44 -1.36 -0.26 0.00 0.02 0.00 0.00 55.36 54.19 1uon s GLN 520 Cb -0.12 -0.38 -0.07 0.00 1.00 0.00 0.00 33.01 33.44 1uon s GLN 520 CO 0.21 0.02 0.82 0.08 -2.12 0.00 0.00 175.29 174.30 1uon s VAL 521 N -3.43 4.53 -0.84 1.09 1.01 -1.26 -1.86 120.40 119.64 1uon s VAL 521 Ca 0.13 1.77 0.00 0.00 0.00 0.00 0.00 61.98 63.88 1uon s VAL 521 Cb 0.04 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.24 1uon s VAL 521 CO -0.02 0.41 0.00 0.00 0.00 0.00 0.00 175.10 175.49 1uon n GLN 522 N 2.33 -1.73 -4.32 2.72 6.02 -1.19 -4.92 117.38 116.30 1uon n GLN 522 Ca -0.03 0.71 -0.19 0.00 -0.01 0.00 0.00 57.00 57.48 1uon n GLN 522 Cb 0.49 -4.97 -0.09 0.00 1.02 0.00 0.00 30.24 26.70 1uon n GLN 522 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1uon s ARG 523 N -2.51 1.63 0.39 -1.09 3.52 -1.25 -4.96 118.95 114.68 1uon s ARG 523 Ca 0.00 -1.93 -0.02 0.00 -0.13 0.00 0.00 55.73 53.65 1uon s ARG 523 Cb 0.00 0.05 -0.03 0.00 -1.56 0.00 0.00 34.95 33.40 1uon s ARG 523 CO 0.00 -0.51 0.63 -0.98 -0.81 0.00 0.00 175.30 173.63 1uon s ARG 524 N -3.73 3.51 0.56 5.12 1.70 -1.26 -4.29 118.95 120.55 1uon s ARG 524 Ca 0.37 -0.14 -0.20 0.00 -0.47 0.00 0.00 55.73 55.29 1uon s ARG 524 Cb 0.04 -2.56 -0.05 0.00 -0.57 0.00 0.00 34.95 31.81 1uon s ARG 524 CO 0.20 0.03 1.20 -2.14 -1.08 0.00 0.00 175.30 173.51 1uon s PRO 525 N -4.45 3.15 -0.06 3.89 0.02 -1.26 -4.53 135.00 131.75 1uon s PRO 525 Ca 0.43 1.83 0.05 0.00 0.02 0.00 0.00 61.00 63.32 1uon s PRO 525 Cb -0.10 -2.03 -0.02 0.00 0.02 0.00 0.00 34.50 32.37 1uon s PRO 525 CO 0.39 -1.06 -0.20 -0.98 -0.33 0.00 0.00 177.00 174.82 1uon s ARG 526 N -3.20 2.61 0.46 5.54 1.70 -0.61 -4.97 118.95 120.48 1uon s ARG 526 Ca 0.74 -0.80 -0.19 0.00 -0.47 0.00 0.00 55.73 55.01 1uon s ARG 526 Cb -0.30 -2.29 -0.10 0.00 -0.57 0.00 0.00 34.95 31.69 1uon s ARG 526 CO 0.34 0.46 0.96 -1.54 -1.08 0.00 0.00 175.30 174.43 1uon s SER 527 N -0.33 6.80 0.03 -2.89 1.04 -1.26 -2.13 113.70 114.96 1uon s SER 527 Ca 0.02 1.62 0.05 0.00 0.48 0.00 0.00 55.95 58.12 1uon s SER 527 Cb -0.13 -2.52 -0.02 0.00 0.10 0.00 0.00 66.02 63.46 1uon s SER 527 CO 0.02 -0.45 -0.14 -0.51 0.98 0.00 0.00 173.24 173.14 1uon s ILE 528 N -2.35 1.12 -0.36 -1.02 1.10 0.35 -4.86 121.20 115.17 1uon s ILE 528 Ca 0.60 -0.94 -0.03 0.00 -0.51 0.00 0.00 60.65 59.77 1uon s ILE 528 Cb -0.09 -1.00 0.08 0.00 0.15 0.00 0.00 42.46 41.59 1uon s ILE 528 CO 0.21 0.06 0.12 -0.04 -2.11 0.00 0.00 174.94 173.17 1uon s MET 529 N -1.01 2.28 -1.16 3.50 -1.94 -1.26 -3.08 119.30 116.63 1uon s MET 529 Ca 0.02 -1.51 -0.20 0.00 -1.71 0.00 0.00 55.69 52.29 1uon s MET 529 Cb -0.07 -3.43 0.06 0.00 2.01 0.00 0.00 34.83 33.40 1uon s MET 529 CO 0.01 -0.84 1.58 -1.25 -0.01 0.00 0.00 175.02 174.51 1uon s PRO 530 N 1.24 3.80 0.69 2.03 0.05 -1.26 -2.63 135.00 138.91 1uon s PRO 530 Ca 0.02 -1.60 -0.17 0.00 0.05 0.00 0.00 61.00 59.30 1uon s PRO 530 Cb -0.21 -5.43 0.01 0.00 0.05 0.00 0.00 34.50 28.92 1uon s PRO 530 CO -0.02 -2.21 1.26 -0.51 0.05 0.00 0.00 177.00 175.57 1uon s LEU 531 N 4.47 3.46 0.52 -3.56 1.43 -1.26 -3.15 118.68 120.59 1uon s LEU 531 Ca 0.49 2.53 -0.04 0.00 -1.03 0.00 0.00 54.13 56.09 1uon s LEU 531 Cb 0.02 -4.61 -0.01 0.00 0.03 0.00 0.00 46.19 41.62 1uon s LEU 531 CO -0.01 -2.15 0.80 0.54 0.23 0.00 0.00 176.35 175.76 1uon s ASN 532 N -1.63 5.85 0.23 2.29 2.20 -1.22 -4.49 114.94 118.16 1uon s ASN 532 Ca 0.80 0.64 -0.09 0.00 -0.94 0.00 0.00 52.86 53.26 1uon s ASN 532 Cb -0.34 -1.80 0.36 0.00 -2.00 0.00 0.00 41.25 37.46 1uon s ASN 532 CO 0.42 -0.82 1.64 0.58 -2.94 0.00 0.00 177.10 175.98 1uon h VAL 533 N 0.11 0.39 -0.22 3.54 2.07 -1.91 0.24 116.25 120.46 1uon h VAL 533 Ca -0.46 -0.03 -0.07 0.00 0.82 0.00 0.00 66.70 66.96 1uon h VAL 533 Cb 1.24 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1uon h VAL 533 CO 0.60 0.02 -0.16 -0.65 0.02 0.00 0.00 177.57 177.40 1uon h PRO 534 N 0.09 0.38 -0.37 1.57 0.11 -1.93 0.14 132.00 131.98 1uon h PRO 534 Ca 0.37 -0.11 -0.13 0.00 0.11 0.00 0.00 66.00 66.24 1uon h PRO 534 Cb 0.62 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.67 1uon h PRO 534 CO -0.63 0.53 -0.30 1.96 -0.21 0.00 0.00 178.00 179.36 1uon h GLN 535 N 0.35 0.79 -0.15 1.05 4.20 -1.18 -1.79 115.11 118.37 1uon h GLN 535 Ca 0.06 -0.36 -0.20 0.00 0.06 0.00 0.00 58.65 58.22 1uon h GLN 535 Cb 0.49 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1uon h GLN 535 CO 0.03 0.99 -0.71 1.96 -0.67 0.00 0.00 178.83 180.43 1uon h GLN 536 N 0.67 0.65 0.26 1.46 1.08 -0.26 -2.97 115.11 116.00 1uon h GLN 536 Ca 0.08 -0.50 -0.00 0.00 -1.45 0.00 0.00 58.65 56.77 1uon h GLN 536 Cb 0.83 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 28.35 1uon h GLN 536 CO 0.07 1.12 -0.18 0.37 -0.95 0.00 0.00 178.83 179.26 1uon h GLN 537 N 0.46 -0.43 0.00 1.46 4.15 -0.58 -2.20 115.11 117.97 1uon h GLN 537 Ca -0.03 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1uon h GLN 537 Cb 1.31 0.10 0.00 0.00 0.21 0.00 0.00 27.48 29.09 1uon h GLN 537 CO 0.14 -0.28 0.00 -0.24 -1.93 0.00 0.00 178.83 176.51 1uon h VAL 538 N -0.44 0.00 -0.00 2.39 3.04 -1.39 -1.93 116.25 117.91 1uon h VAL 538 Ca -0.02 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.52 1uon h VAL 538 Cb 0.38 0.91 0.00 0.00 -2.01 0.00 0.00 31.29 30.57 1uon h VAL 538 CO 0.00 0.00 -0.11 -1.20 -1.01 0.00 0.00 177.57 175.25 1uon n SER 539 N -2.58 0.28 -0.12 3.17 7.64 -0.83 -4.39 113.62 116.79 1uon n SER 539 Ca -0.00 -0.23 -0.06 0.00 1.01 0.00 0.00 58.87 59.59 1uon n SER 539 Cb 0.14 -0.16 0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1uon n SER 539 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1uon h ALA 540 N 3.37 0.03 -0.87 -0.43 0.00 -1.33 -1.92 119.26 118.12 1uon h ALA 540 Ca 0.00 0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.16 1uon h ALA 540 Cb 0.39 0.54 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 1uon h ALA 540 CO 0.00 -0.60 0.56 -1.35 0.00 0.00 0.00 179.25 177.86 1uon h PRO 541 N -0.16 0.76 -0.20 0.00 0.11 -1.84 0.12 132.00 130.79 1uon h PRO 541 Ca 0.20 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.23 1uon h PRO 541 Cb 0.46 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 1uon h PRO 541 CO -0.50 0.50 -0.01 1.25 -0.21 0.00 0.00 178.00 179.03 1uon h HIS 542 N 0.78 0.40 -0.20 0.65 2.76 -1.67 -2.34 115.15 115.52 1uon h HIS 542 Ca 0.41 -0.07 -0.01 0.00 -2.20 0.00 0.00 60.37 58.50 1uon h HIS 542 Cb 0.52 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.37 1uon h HIS 542 CO -0.00 0.56 0.08 1.15 -1.30 0.00 0.00 177.93 178.42 1uon h THR 543 N 0.12 1.17 -0.60 6.26 2.02 -0.59 -2.52 112.91 118.76 1uon h THR 543 Ca 0.06 -0.51 -0.02 0.00 0.77 0.00 0.00 66.41 66.71 1uon h THR 543 Cb 0.41 1.13 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 1uon h THR 543 CO 0.01 0.16 0.30 -0.07 0.37 0.00 0.00 175.52 176.29 1uon h LEU 544 N 0.16 0.78 -0.75 2.58 3.38 -0.82 -0.45 115.31 120.20 1uon h LEU 544 Ca 0.07 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1uon h LEU 544 Cb 0.18 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1uon h LEU 544 CO -0.00 0.68 0.07 0.74 0.09 0.00 0.00 178.44 180.02 1uon h THR 545 N 0.82 1.26 -0.70 0.22 2.02 -1.43 -0.66 112.91 114.44 1uon h THR 545 Ca 0.21 -1.04 -0.07 0.00 0.77 0.00 0.00 66.41 66.28 1uon h THR 545 Cb 0.10 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 1uon h THR 545 CO -0.03 0.38 0.17 0.00 0.37 0.00 0.00 175.52 176.41 1uon h ALA 546 N 1.12 0.97 -0.65 6.16 0.00 -1.10 -1.82 119.26 123.94 1uon h ALA 546 Ca 0.19 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1uon h ALA 546 Cb 0.45 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1uon h ALA 546 CO 0.02 0.66 0.05 -0.44 0.00 0.00 0.00 179.25 179.54 1uon h ASP 547 N 1.06 1.07 -0.82 0.00 3.32 -0.68 -1.88 116.42 118.49 1uon h ASP 547 Ca 0.22 -0.28 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 1uon h ASP 547 Cb 0.37 -0.29 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 1uon h ASP 547 CO 0.00 1.09 0.40 0.22 -1.72 0.00 0.00 179.24 179.23 1uon h TYR 548 N 1.02 1.19 -0.26 4.55 3.20 -0.73 -0.07 116.97 125.88 1uon h TYR 548 Ca 0.19 -0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.98 1uon h TYR 548 Cb 0.51 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 1uon h TYR 548 CO 0.04 0.86 0.06 0.82 -1.64 0.00 0.00 178.16 178.30 1uon h ILE 549 N 1.18 1.22 -0.00 1.81 2.04 -1.03 -1.41 117.51 121.31 1uon h ILE 549 Ca 0.28 -0.71 -0.07 0.00 1.00 0.00 0.00 64.86 65.37 1uon h ILE 549 Cb 0.12 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1uon h ILE 549 CO -0.04 0.23 -0.32 0.78 0.00 0.00 0.00 178.15 178.81 1uon h ASN 550 N 0.24 0.01 0.63 1.72 2.35 -0.95 0.45 115.58 120.02 1uon h ASN 550 Ca 0.08 -0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.56 1uon h ASN 550 Cb 0.29 -0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.62 1uon h ASN 550 CO 0.00 0.32 -1.48 0.22 -1.65 0.00 0.00 177.43 174.84 1uon h TYR 551 N 0.01 0.06 0.00 1.19 3.20 -0.92 -3.40 116.97 117.11 1uon h TYR 551 Ca -0.00 -0.05 -0.07 0.00 3.14 0.00 0.00 58.73 61.75 1uon h TYR 551 Cb 0.56 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 1uon h TYR 551 CO 0.00 1.07 -1.35 0.72 -1.64 0.00 0.00 178.16 176.96 1uon n HIS 552 N -3.20 0.00 0.44 -3.82 8.25 -0.54 -4.85 115.22 111.50 1uon n HIS 552 Ca -0.12 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.41 1uon n HIS 552 Cb 1.02 -0.23 -0.09 0.00 1.12 0.00 0.00 29.99 31.80 1uon n HIS 552 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1uon n MET 553 N -2.06 1.62 -1.02 -0.41 2.81 0.15 -5.05 117.12 113.17 1uon n MET 553 Ca -0.07 -0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.78 1uon n MET 553 Cb 0.52 -1.24 0.00 0.00 -0.71 0.00 0.00 33.22 31.80 1uon n MET 553 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1uon n ASN 554 N -1.58 0.57 -3.95 7.83 0.23 -1.05 -4.78 115.26 112.53 1uon n ASN 554 Ca 0.01 -0.51 -0.31 0.00 -0.53 0.00 0.00 54.58 53.24 1uon n ASN 554 Cb 0.28 0.00 -0.15 0.00 -2.08 0.00 0.00 39.78 37.83 1uon n ASN 554 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 1uon s LEU 555 N 0.00 4.02 0.06 -4.53 2.96 -1.18 -4.87 118.68 115.15 1uon s LEU 555 Ca 0.00 -1.95 -0.05 0.00 -0.22 0.00 0.00 54.13 51.91 1uon s LEU 555 Cb 0.00 -1.43 -0.02 0.00 0.50 0.00 0.00 46.19 45.24 1uon s LEU 555 CO 0.00 -0.37 0.07 -0.94 -1.32 0.00 0.00 176.35 173.79 1uon s SER 556 N 1.10 0.31 -0.22 3.68 1.04 -1.26 -2.33 113.70 116.01 1uon s SER 556 Ca 0.09 -0.81 -0.02 0.00 0.48 0.00 0.00 55.95 55.68 1uon s SER 556 Cb -0.19 0.26 0.01 0.00 0.10 0.00 0.00 66.02 66.20 1uon s SER 556 CO -0.12 -0.64 -0.08 -2.16 0.98 0.00 0.00 173.24 171.23 1uon s PRO 557 N -3.75 3.15 -0.08 4.02 0.04 -1.21 -4.95 135.00 132.22 1uon s PRO 557 Ca 0.05 -0.76 -0.22 0.00 0.04 0.00 0.00 61.00 60.11 1uon s PRO 557 Cb 0.06 -2.92 -0.04 0.00 0.04 0.00 0.00 34.50 31.64 1uon s PRO 557 CO -0.10 -0.26 0.64 0.99 0.04 0.00 0.00 177.00 178.32 1uon s THR 558 N 1.40 5.07 -4.60 1.26 2.01 -1.26 -4.74 115.64 114.78 1uon s THR 558 Ca 0.04 1.32 0.00 0.00 0.31 0.00 0.00 61.69 63.36 1uon s THR 558 Cb -0.15 -3.98 0.00 0.00 0.01 0.00 0.00 72.50 68.38 1uon s THR 558 CO -0.06 0.28 0.00 -1.54 -0.69 0.00 0.00 174.62 172.61 1uon n SER 559 N 3.70 0.00 0.03 3.53 3.41 -1.26 -5.02 113.62 118.01 1uon n SER 559 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1uon n SER 559 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1uon n SER 559 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uon n GLY 560 N 0.00 -0.04 0.00 5.00 0.00 -1.26 -5.07 105.19 103.82 1uon n GLY 560 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1uon n GLY 560 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uon n SER 561 N -3.03 0.00 -1.82 1.61 7.64 -1.26 -5.04 113.62 111.71 1uon n SER 561 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.86 1uon n SER 561 Cb 0.23 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.42 1uon n SER 561 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1uon n ALA 562 N 0.00 -2.99 -0.96 -0.43 0.00 -1.26 -3.83 120.51 111.03 1uon n ALA 562 Ca 0.00 0.73 -0.38 0.00 0.00 0.00 0.00 53.44 53.79 1uon n ALA 562 Cb 0.00 -1.53 -0.05 0.00 0.00 0.00 0.00 19.45 17.87 1uon n ALA 562 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1uon n VAL 563 N 0.80 0.00 0.00 0.00 0.31 -1.26 0.57 118.33 118.74 1uon n VAL 563 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1uon n VAL 563 Cb 0.17 -0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.10 1uon n VAL 563 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1uon n ILE 564 N 0.97 0.00 1.14 2.52 0.13 -1.26 -4.62 119.36 118.24 1uon n ILE 564 Ca 0.13 0.00 0.13 0.00 -1.10 0.00 0.00 62.75 61.91 1uon n ILE 564 Cb 0.05 0.00 0.64 0.00 -0.84 0.00 0.00 39.64 39.49 1uon n ILE 564 CO 0.00 0.00 0.00 1.21 2.80 0.00 0.00 176.55 180.56 1uon n GLU 565 N 0.00 0.21 -0.97 9.51 4.07 0.19 -1.88 120.64 131.77 1uon n GLU 565 Ca 0.00 0.03 -0.19 0.00 -0.06 0.00 0.00 57.16 56.94 1uon n GLU 565 Cb 0.00 -1.50 0.14 0.00 -0.06 0.00 0.00 31.44 30.02 1uon n GLU 565 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1uon n LYS 566 N -1.39 2.00 -2.92 5.31 5.02 -1.12 -4.80 118.16 120.27 1uon n LYS 566 Ca 0.10 -2.36 -0.22 0.00 -2.02 0.00 0.00 58.31 53.81 1uon n LYS 566 Cb 0.27 -1.92 0.02 0.00 -0.02 0.00 0.00 35.03 33.37 1uon n LYS 566 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1uon n VAL 567 N -0.76 -2.35 -0.23 -0.18 0.31 -0.79 -4.84 118.33 109.49 1uon n VAL 567 Ca 0.47 0.03 -0.01 0.00 -0.01 0.00 0.00 64.34 64.81 1uon n VAL 567 Cb 1.37 -2.12 0.10 0.00 -0.91 0.00 0.00 33.84 32.27 1uon n VAL 567 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1uon h ILE 568 N 0.90 0.94 -0.95 2.52 2.04 -1.92 -2.87 117.51 118.17 1uon h ILE 568 Ca -0.40 -0.23 0.24 0.00 1.00 0.00 0.00 64.86 65.47 1uon h ILE 568 Cb 0.93 0.23 -0.12 0.00 -0.74 0.00 0.00 36.82 37.11 1uon h ILE 568 CO 0.19 0.12 0.50 -0.65 0.00 0.00 0.00 178.15 178.31 1uon h PRO 569 N 0.66 0.48 -0.99 2.37 0.11 -1.88 -1.23 132.00 131.51 1uon h PRO 569 Ca 0.30 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.40 1uon h PRO 569 Cb 0.22 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 31.17 1uon h PRO 569 CO -0.20 0.32 0.66 1.25 -0.21 0.00 0.00 178.00 179.82 1uon h LEU 570 N 0.49 1.13 -0.70 2.35 5.85 -1.86 -2.33 115.31 120.24 1uon h LEU 570 Ca 0.61 -0.02 -0.13 0.00 0.84 0.00 0.00 57.88 59.17 1uon h LEU 570 Cb 1.16 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 1uon h LEU 570 CO -0.50 0.80 -0.42 1.23 -0.34 0.00 0.00 178.44 179.21 1uon h GLY 571 N 1.32 0.54 0.91 3.75 0.00 -1.34 -1.14 103.07 107.12 1uon h GLY 571 Ca 0.37 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 1uon h GLY 571 CO -0.09 0.50 -0.04 -2.08 0.00 0.00 0.00 176.54 174.83 1uon h VAL 572 N 0.41 0.98 0.65 4.60 2.07 -1.20 -0.82 116.25 122.95 1uon h VAL 572 Ca 0.03 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 1uon h VAL 572 Cb 0.91 1.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1uon h VAL 572 CO 0.08 0.05 -0.36 0.22 0.02 0.00 0.00 177.57 177.58 1uon h TYR 573 N -0.20 -0.93 -0.80 1.57 3.20 -1.37 -2.24 116.97 116.19 1uon h TYR 573 Ca -0.01 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 61.94 1uon h TYR 573 Cb 0.17 0.32 -0.05 0.00 1.54 0.00 0.00 36.73 38.71 1uon h TYR 573 CO -0.04 -0.56 0.52 0.00 -1.64 0.00 0.00 178.16 176.44 1uon h ALA 574 N -0.62 1.75 -0.01 1.82 0.00 -1.20 -2.36 119.26 118.64 1uon h ALA 574 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1uon h ALA 574 Cb 0.74 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1uon h ALA 574 CO 0.12 0.09 -0.10 -1.13 0.00 0.00 0.00 179.25 178.22 1uon n SER 575 N -4.51 1.33 -4.65 0.00 3.41 -0.32 -3.42 113.62 105.46 1uon n SER 575 Ca 0.13 -1.26 -0.39 0.00 -0.26 0.00 0.00 58.87 57.09 1uon n SER 575 Cb 0.32 0.05 -0.07 0.00 -0.26 0.00 0.00 64.21 64.25 1uon n SER 575 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1uon s SER 576 N -2.20 6.48 0.59 4.04 0.01 -0.85 -1.86 113.70 119.91 1uon s SER 576 Ca 0.32 0.57 -0.20 0.00 1.31 0.00 0.00 55.95 57.96 1uon s SER 576 Cb 0.20 -2.26 -0.03 0.00 0.21 0.00 0.00 66.02 64.14 1uon s SER 576 CO 0.41 -0.16 1.30 -2.84 0.41 0.00 0.00 173.24 172.36 1uon s PRO 577 N 1.65 2.90 0.00 12.44 0.02 -1.26 0.19 135.00 150.94 1uon s PRO 577 Ca 0.21 2.08 0.14 0.00 0.02 0.00 0.00 61.00 63.45 1uon s PRO 577 Cb -0.15 -2.04 0.79 0.00 0.02 0.00 0.00 34.50 33.11 1uon s PRO 577 CO 0.09 -1.33 1.31 -2.30 -0.33 0.00 0.00 177.00 174.44 1uon n PRO 578 N -1.45 0.34 -2.04 5.54 -0.02 -1.26 -4.97 135.00 131.14 1uon n PRO 578 Ca 0.13 0.06 -0.32 0.00 -2.02 0.00 0.00 63.50 61.36 1uon n PRO 578 Cb 0.47 -1.50 -0.00 0.00 -0.02 0.00 0.00 33.50 32.45 1uon n PRO 578 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1uon s ASN 579 N -2.23 6.20 0.05 2.55 0.01 0.13 -3.64 114.94 118.01 1uon s ASN 579 Ca 0.18 1.55 -0.05 0.00 -0.71 0.00 0.00 52.86 53.83 1uon s ASN 579 Cb 0.10 -2.50 -0.02 0.00 0.41 0.00 0.00 41.25 39.24 1uon s ASN 579 CO 0.18 -0.88 0.08 -1.10 -1.51 0.00 0.00 177.10 173.87 1uon s GLN 580 N -4.62 0.65 0.01 -0.60 -0.21 -0.82 -4.38 119.66 109.69 1uon s GLN 580 Ca 0.58 -0.93 -0.03 0.00 0.02 0.00 0.00 55.36 55.00 1uon s GLN 580 Cb -0.12 0.25 -0.01 0.00 1.00 0.00 0.00 33.01 34.13 1uon s GLN 580 CO 0.44 -0.16 0.04 -1.54 -2.12 0.00 0.00 175.29 171.94 1uon s SER 581 N -2.52 0.12 -0.15 5.90 1.04 -1.25 -0.47 113.70 116.38 1uon s SER 581 Ca 0.01 -0.30 -0.02 0.00 0.48 0.00 0.00 55.95 56.12 1uon s SER 581 Cb 0.03 0.14 -0.02 0.00 0.10 0.00 0.00 66.02 66.26 1uon s SER 581 CO -0.08 -0.27 -0.08 -0.63 0.98 0.00 0.00 173.24 173.16 1uon s ILE 582 N -1.17 3.43 -0.91 -1.02 -1.09 -0.45 -4.68 121.20 115.31 1uon s ILE 582 Ca -0.13 -0.52 -0.14 0.00 -2.23 0.00 0.00 60.65 57.63 1uon s ILE 582 Cb -0.08 -2.48 0.20 0.00 -1.58 0.00 0.00 42.46 38.53 1uon s ILE 582 CO -0.00 0.50 0.93 0.20 -1.23 0.00 0.00 174.94 175.34 1uon s ASN 583 N 0.47 6.82 0.23 3.58 0.01 -0.38 -1.27 114.94 124.40 1uon s ASN 583 Ca -0.06 -2.67 -0.30 0.00 -0.71 0.00 0.00 52.86 49.12 1uon s ASN 583 Cb -0.15 -2.26 -0.09 0.00 0.41 0.00 0.00 41.25 39.16 1uon s ASN 583 CO 0.04 -0.66 0.98 -0.63 -1.51 0.00 0.00 177.10 175.32 1uon s ILE 584 N 0.64 3.99 -0.02 0.60 1.01 0.54 -2.68 121.20 125.28 1uon s ILE 584 Ca 0.24 1.94 -0.12 0.00 0.00 0.00 0.00 60.65 62.72 1uon s ILE 584 Cb -0.08 -4.24 0.02 0.00 0.01 0.00 0.00 42.46 38.16 1uon s ILE 584 CO -0.09 0.44 0.25 -0.62 0.00 0.00 0.00 174.94 174.92 1uon s ASP 585 N -0.93 -0.13 -0.19 3.58 -1.08 0.24 0.28 116.67 118.44 1uon s ASP 585 Ca 0.43 0.04 -0.01 0.00 -0.52 0.00 0.00 52.55 52.49 1uon s ASP 585 Cb -0.27 0.31 0.01 0.00 -1.46 0.00 0.00 42.92 41.50 1uon s ASP 585 CO 0.34 -0.38 -0.14 -0.63 0.52 0.00 0.00 175.17 174.89 1uon s ILE 586 N -1.16 2.62 0.28 4.11 1.01 -1.03 0.27 121.20 127.30 1uon s ILE 586 Ca -0.12 -0.75 -0.20 0.00 0.00 0.00 0.00 60.65 59.57 1uon s ILE 586 Cb -0.06 -2.14 -0.09 0.00 0.01 0.00 0.00 42.46 40.18 1uon s ILE 586 CO 0.03 0.49 0.79 -0.94 0.00 0.00 0.00 174.94 175.31 1uon s SER 587 N 1.32 7.06 -1.34 3.58 1.04 -0.87 -3.70 113.70 120.78 1uon s SER 587 Ca 0.04 1.51 -0.03 0.00 0.48 0.00 0.00 55.95 57.95 1uon s SER 587 Cb -0.14 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.53 1uon s SER 587 CO -0.08 -0.06 0.39 0.00 0.98 0.00 0.00 173.24 174.46 1uon n ALA 588 N 0.38 -0.74 -0.17 5.32 0.00 -1.26 -4.45 120.51 119.60 1uon n ALA 588 Ca 0.00 0.22 -0.11 0.00 0.00 0.00 0.00 53.44 53.55 1uon n ALA 588 Cb 0.51 -3.00 -0.08 0.00 0.00 0.00 0.00 19.45 16.88 1uon n ALA 588 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uon h ASP 590 N -0.26 0.92 0.90 0.00 3.32 -1.91 0.34 116.42 119.74 1uon h ASP 590 Ca 0.08 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1uon h ASP 590 Cb 0.46 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1uon h ASP 590 CO -0.56 0.50 0.00 0.00 -1.72 0.00 0.00 179.24 177.46 1uon n ALA 591 N -2.35 2.10 0.67 3.45 0.00 -0.71 -0.41 120.51 123.26 1uon n ALA 591 Ca 0.18 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.67 1uon n ALA 591 Cb 0.33 -1.40 0.13 0.00 0.00 0.00 0.00 19.45 18.52 1uon n ALA 591 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1uon n SER 592 N -1.62 0.63 -4.35 0.00 7.64 0.09 -4.13 113.62 111.87 1uon n SER 592 Ca 0.06 -0.09 -0.46 0.00 1.01 0.00 0.00 58.87 59.39 1uon n SER 592 Cb 0.30 0.40 -0.01 0.00 -1.01 0.00 0.00 64.21 63.89 1uon n SER 592 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1uon s ILE 593 N -3.14 5.61 0.46 0.44 -1.09 -1.07 -4.87 121.20 117.54 1uon s ILE 593 Ca 0.06 -2.69 0.04 0.00 -2.23 0.00 0.00 60.65 55.84 1uon s ILE 593 Cb 0.15 -4.57 -0.04 0.00 -1.58 0.00 0.00 42.46 36.41 1uon s ILE 593 CO 0.75 -1.17 0.02 0.42 -1.23 0.00 0.00 174.94 173.73 1uon s THR 594 N 0.07 1.61 0.27 2.92 -4.23 -1.26 -4.14 115.64 110.87 1uon s THR 594 Ca 0.25 -1.97 -0.03 0.00 -1.18 0.00 0.00 61.69 58.76 1uon s THR 594 Cb -0.09 -2.58 0.15 0.00 1.34 0.00 0.00 72.50 71.32 1uon s THR 594 CO -0.08 0.00 1.81 -0.25 -0.54 0.00 0.00 174.62 175.56 1uon h TRP 595 N 1.53 0.93 -1.04 3.99 2.91 -1.88 -1.59 115.95 120.80 1uon h TRP 595 Ca -0.44 -0.08 0.27 0.00 1.13 0.00 0.00 58.89 59.77 1uon h TRP 595 Cb 1.28 -0.27 -0.08 0.00 -0.51 0.00 0.00 29.16 29.57 1uon h TRP 595 CO 1.11 0.76 0.69 -0.44 -1.03 0.00 0.00 178.44 179.53 1uon h ASP 596 N 0.87 0.35 0.00 2.65 3.32 -1.96 -2.54 116.42 119.11 1uon h ASP 596 Ca 0.19 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1uon h ASP 596 Cb 0.29 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1uon h ASP 596 CO -0.00 0.07 -0.51 0.33 -1.72 0.00 0.00 179.24 177.42 1uon n PHE 597 N -4.53 0.00 -0.00 4.55 7.35 -1.23 -4.71 117.46 118.89 1uon n PHE 597 Ca 0.24 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.93 1uon n PHE 597 Cb 0.92 0.12 -0.00 0.00 0.35 0.00 0.00 39.48 40.87 1uon n PHE 597 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 1uon h PHE 598 N 0.00 0.00 -0.98 -5.13 0.04 -1.64 -3.37 116.94 105.86 1uon h PHE 598 Ca 0.00 0.00 0.15 0.00 2.80 0.00 0.00 57.97 60.92 1uon h PHE 598 Cb 0.51 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 38.57 1uon h PHE 598 CO 0.00 0.00 0.61 -0.07 -0.60 0.00 0.00 178.31 178.25 1uon h LEU 599 N -0.04 0.80 -1.34 1.54 3.38 -1.47 0.25 115.31 118.43 1uon h LEU 599 Ca 0.00 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1uon h LEU 599 Cb 0.01 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1uon h LEU 599 CO 0.00 0.37 -0.27 0.77 0.09 0.00 0.00 178.44 179.40 1uon h SER 600 N 0.82 0.08 0.03 -0.43 4.64 -1.67 0.21 113.55 117.24 1uon h SER 600 Ca 0.51 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.77 1uon h SER 600 Cb 0.72 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1uon h SER 600 CO -0.29 0.36 -0.18 0.58 -0.87 0.00 0.00 176.83 176.43 1uon h VAL 601 N 0.08 1.72 -0.22 0.95 2.07 -1.27 -2.97 116.25 116.61 1uon h VAL 601 Ca 0.01 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.19 1uon h VAL 601 Cb 0.53 3.30 -0.01 0.00 -1.52 0.00 0.00 31.29 33.59 1uon h VAL 601 CO 0.04 0.62 0.14 0.40 0.02 0.00 0.00 177.57 178.79 1uon h ILE 602 N -0.83 1.07 -0.96 4.57 2.04 -0.40 -0.21 117.51 122.79 1uon h ILE 602 Ca -0.03 -0.15 0.08 0.00 1.00 0.00 0.00 64.86 65.76 1uon h ILE 602 Cb 1.12 0.78 -0.07 0.00 -0.74 0.00 0.00 36.82 37.91 1uon h ILE 602 CO 0.03 0.07 0.60 0.24 0.00 0.00 0.00 178.15 179.09 1uon h MET 603 N 0.28 1.02 0.15 2.37 2.86 -0.72 -2.05 114.93 118.84 1uon h MET 603 Ca 0.08 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1uon h MET 603 Cb -0.01 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.42 1uon h MET 603 CO -0.02 0.68 -0.07 0.00 1.06 0.00 0.00 176.91 178.56 1uon h ALA 604 N 1.47 -0.20 -0.97 6.32 0.00 -1.22 -1.27 119.26 123.39 1uon h ALA 604 Ca 0.43 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.24 1uon h ALA 604 Cb 0.27 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 1uon h ALA 604 CO -0.20 -0.48 0.63 0.00 0.00 0.00 0.00 179.25 179.20 1uon h ALA 605 N 0.33 1.40 -0.02 0.00 0.00 -0.80 -1.01 119.26 119.16 1uon h ALA 605 Ca -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1uon h ALA 605 Cb 0.37 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1uon h ALA 605 CO 0.03 0.49 -0.03 0.82 0.00 0.00 0.00 179.25 180.56 1uon h ILE 606 N 1.19 1.45 -0.96 0.00 2.04 -1.39 0.28 117.51 120.11 1uon h ILE 606 Ca 0.40 -1.37 0.15 0.00 1.00 0.00 0.00 64.86 65.04 1uon h ILE 606 Cb 0.07 2.33 -0.08 0.00 -0.74 0.00 0.00 36.82 38.40 1uon h ILE 606 CO -0.14 0.36 0.61 -0.74 0.00 0.00 0.00 178.15 178.25 1uon h HIS 607 N -0.50 0.99 0.01 1.37 2.76 -0.88 -0.79 115.15 118.10 1uon h HIS 607 Ca 0.00 0.03 -0.16 0.00 -2.20 0.00 0.00 60.37 58.04 1uon h HIS 607 Cb 0.61 -0.31 -0.02 0.00 1.55 0.00 0.00 27.41 29.24 1uon h HIS 607 CO 0.12 0.33 -0.87 0.93 -1.30 0.00 0.00 177.93 177.14 1uon h GLU 608 N 0.80 0.02 0.00 5.26 4.39 -1.18 -3.30 114.58 120.56 1uon h GLU 608 Ca 0.50 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.17 1uon h GLU 608 Cb 0.72 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 1uon h GLU 608 CO -0.27 1.01 0.00 0.78 -1.16 0.00 0.00 179.01 179.37 1uon h GLY 609 N -0.92 0.00 1.00 -3.84 0.00 -0.34 -1.32 103.07 97.65 1uon h GLY 609 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1uon h GLY 609 CO -0.12 0.00 -0.68 -0.62 0.00 0.00 0.00 176.54 175.12 1uon n VAL 610 N -3.05 0.22 0.00 4.60 0.31 -0.31 -2.52 118.33 117.58 1uon n VAL 610 Ca -0.02 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 1uon n VAL 610 Cb 0.12 0.04 0.00 0.00 -0.91 0.00 0.00 33.84 33.09 1uon n VAL 610 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1uon n ALA 611 N -1.74 -0.06 -0.22 3.52 0.00 -0.50 -2.42 120.51 119.10 1uon n ALA 611 Ca 0.04 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.71 1uon n ALA 611 Cb 0.41 0.31 0.61 0.00 0.00 0.00 0.00 19.45 20.77 1uon n ALA 611 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1uon h SER 612 N 0.00 0.23 0.78 0.00 4.64 -1.83 -1.54 113.55 115.83 1uon h SER 612 Ca 0.00 0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.29 1uon h SER 612 Cb 0.00 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 1uon h SER 612 CO 0.00 0.08 -1.26 -1.20 -0.87 0.00 0.00 176.83 173.58 1uon n SER 613 N -4.41 0.75 0.01 4.97 7.64 -1.21 -4.08 113.62 117.28 1uon n SER 613 Ca 0.19 0.30 0.11 0.00 1.01 0.00 0.00 58.87 60.48 1uon n SER 613 Cb 0.82 0.53 0.01 0.00 -1.01 0.00 0.00 64.21 64.55 1uon n SER 613 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1uon n SER 614 N -2.70 0.67 -4.38 6.43 3.41 -1.01 -4.92 113.62 111.12 1uon n SER 614 Ca -0.04 -0.45 -0.44 0.00 -0.26 0.00 0.00 58.87 57.68 1uon n SER 614 Cb 0.66 0.84 -0.01 0.00 -0.26 0.00 0.00 64.21 65.44 1uon n SER 614 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uon n ILE 615 N -1.75 1.38 -3.98 -1.33 3.06 -0.61 -3.00 119.36 113.13 1uon n ILE 615 Ca 0.03 -0.50 -0.28 0.00 -2.50 0.00 0.00 62.75 59.50 1uon n ILE 615 Cb 0.39 -0.18 -0.02 0.00 0.54 0.00 0.00 39.64 40.37 1uon n ILE 615 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1uon n GLY 616 N 2.05 -0.33 3.61 4.50 0.00 -1.26 -4.97 105.19 108.79 1uon n GLY 616 Ca 0.13 0.20 -0.13 0.00 0.00 0.00 0.00 46.02 46.22 1uon n GLY 616 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uon s LYS 617 N -6.65 0.77 0.95 1.61 1.02 -1.16 -5.08 119.74 111.20 1uon s LYS 617 Ca 0.08 0.71 -0.15 0.00 0.02 0.00 0.00 55.97 56.63 1uon s LYS 617 Cb -0.03 0.37 0.20 0.00 -0.52 0.00 0.00 37.83 37.85 1uon s LYS 617 CO 0.91 -0.14 1.30 -1.25 -0.92 0.00 0.00 175.35 175.25 1uon s PRO 618 N -0.04 0.66 -0.27 -1.68 0.04 -1.26 -1.23 135.00 131.23 1uon s PRO 618 Ca -0.01 -0.51 -0.10 0.00 0.04 0.00 0.00 61.00 60.42 1uon s PRO 618 Cb -0.04 -1.89 0.11 0.00 0.04 0.00 0.00 34.50 32.73 1uon s PRO 618 CO 0.01 -2.37 0.58 0.12 0.04 0.00 0.00 177.00 175.38 1uon s PHE 619 N -3.84 -1.15 -1.39 0.56 5.36 0.01 -4.70 117.98 112.83 1uon s PHE 619 Ca 0.74 2.07 -0.07 0.00 -0.96 0.00 0.00 56.93 58.70 1uon s PHE 619 Cb -0.04 0.64 0.04 0.00 -0.34 0.00 0.00 43.02 43.33 1uon s PHE 619 CO 0.52 -0.60 0.54 -1.33 -1.46 0.00 0.00 175.22 172.90 1uon n MET 620 N 5.29 -4.04 -0.04 10.12 2.81 -1.26 -0.91 117.12 129.09 1uon n MET 620 Ca -0.12 0.65 0.00 0.00 -1.81 0.00 0.00 57.70 56.42 1uon n MET 620 Cb 0.50 -5.42 0.00 0.00 -0.71 0.00 0.00 33.22 27.59 1uon n MET 620 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1uon n GLY 621 N -1.32 1.25 3.66 3.03 0.00 -1.26 -5.00 105.19 105.54 1uon n GLY 621 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 1uon n GLY 621 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uon s VAL 622 N -2.47 5.04 0.76 1.61 1.01 -0.09 -4.60 120.40 121.66 1uon s VAL 622 Ca 0.00 1.13 -0.12 0.00 0.00 0.00 0.00 61.98 62.99 1uon s VAL 622 Cb 0.00 -3.92 0.05 0.00 0.00 0.00 0.00 36.38 32.51 1uon s VAL 622 CO 0.00 0.12 1.11 -2.16 0.00 0.00 0.00 175.10 174.18 1uon s PRO 623 N 1.86 2.43 0.74 2.72 0.04 -1.26 -0.81 135.00 140.71 1uon s PRO 623 Ca 0.27 0.44 -0.12 0.00 0.04 0.00 0.00 61.00 61.64 1uon s PRO 623 Cb -0.16 -1.97 0.03 0.00 0.04 0.00 0.00 34.50 32.44 1uon s PRO 623 CO 0.10 -1.34 1.12 0.00 0.04 0.00 0.00 177.00 176.93 1uon s ALA 624 N -3.34 2.82 0.01 8.56 0.00 -1.26 -3.79 121.76 124.76 1uon s ALA 624 Ca 0.60 -0.43 -0.00 0.00 0.00 0.00 0.00 51.96 52.12 1uon s ALA 624 Cb -0.12 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 19.99 1uon s ALA 624 CO 0.52 -1.30 0.02 -1.13 0.00 0.00 0.00 175.76 173.87 1uon n SER 625 N -3.10 -0.05 -4.37 0.00 3.41 -0.83 -4.87 113.62 103.81 1uon n SER 625 Ca 0.07 -1.03 -0.30 0.00 -0.26 0.00 0.00 58.87 57.35 1uon n SER 625 Cb 0.58 0.08 -0.14 0.00 -0.26 0.00 0.00 64.21 64.47 1uon n SER 625 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1uon s ILE 626 N -2.78 2.26 0.04 -1.33 1.09 -1.26 -0.82 121.20 118.40 1uon s ILE 626 Ca 0.00 -1.41 -0.00 0.00 -1.10 0.00 0.00 60.65 58.14 1uon s ILE 626 Cb -0.00 -1.91 -0.03 0.00 -1.06 0.00 0.00 42.46 39.46 1uon s ILE 626 CO 0.00 0.32 -0.03 0.54 -0.10 0.00 0.00 174.94 175.67 1uon s VAL 627 N -0.86 0.20 0.14 2.92 0.11 -0.86 -4.94 120.40 117.11 1uon s VAL 627 Ca 0.13 -1.38 -0.31 0.00 -2.93 0.00 0.00 61.98 57.49 1uon s VAL 627 Cb -0.10 -0.92 -0.08 0.00 -1.53 0.00 0.00 36.38 33.75 1uon s VAL 627 CO 0.03 -0.74 1.37 0.21 -3.33 0.00 0.00 175.10 172.64 1uon s ASN 628 N -2.21 6.84 -0.15 3.54 3.84 -1.26 -1.13 114.94 124.41 1uon s ASN 628 Ca -0.04 2.36 -0.02 0.00 0.21 0.00 0.00 52.86 55.37 1uon s ASN 628 Cb -0.01 -2.59 -0.02 0.00 -0.55 0.00 0.00 41.25 38.08 1uon s ASN 628 CO -0.05 -0.62 -0.09 -0.62 -2.79 0.00 0.00 177.10 172.93 1uon s ASP 629 N 0.89 4.28 -0.00 -4.21 3.68 0.32 -0.75 116.67 120.88 1uon s ASP 629 Ca 0.62 -0.29 0.03 0.00 2.13 0.00 0.00 52.55 55.05 1uon s ASP 629 Cb -0.37 -1.68 0.06 0.00 -1.45 0.00 0.00 42.92 39.48 1uon s ASP 629 CO 0.33 0.13 1.02 -0.62 0.13 0.00 0.00 175.17 176.16 1uon n GLU 630 N 3.78 0.03 -0.01 4.34 1.02 0.30 -2.47 120.64 127.63 1uon n GLU 630 Ca -0.18 -1.16 -0.04 0.00 -0.02 0.00 0.00 57.16 55.77 1uon n GLU 630 Cb 0.52 -0.46 -0.03 0.00 -0.02 0.00 0.00 31.44 31.45 1uon n GLU 630 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1uon h SER 631 N 0.12 -0.44 -4.13 1.62 0.02 -1.60 -2.99 113.55 106.15 1uon h SER 631 Ca -0.03 0.05 -0.51 0.00 -0.84 0.00 0.00 61.79 60.46 1uon h SER 631 Cb 1.45 0.17 0.10 0.00 0.14 0.00 0.00 62.40 64.26 1uon h SER 631 CO 0.01 -0.12 0.42 -0.69 -1.14 0.00 0.00 176.83 175.31 1uon s VAL 632 N -3.68 2.95 0.09 2.27 1.01 -1.26 -2.16 120.40 119.61 1uon s VAL 632 Ca -0.04 0.53 -0.30 0.00 0.00 0.00 0.00 61.98 62.17 1uon s VAL 632 Cb 0.02 -3.13 -0.06 0.00 0.00 0.00 0.00 36.38 33.21 1uon s VAL 632 CO 0.15 -0.19 1.16 -0.69 0.00 0.00 0.00 175.10 175.54 1uon s VAL 633 N -1.91 4.03 0.00 2.92 1.01 -1.26 -3.94 120.40 121.24 1uon s VAL 633 Ca 0.72 1.53 0.00 0.00 0.00 0.00 0.00 61.98 64.23 1uon s VAL 633 Cb -0.25 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.15 1uon s VAL 633 CO 0.35 0.16 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1uon n GLY 634 N 2.89 2.07 3.50 4.51 0.00 -1.26 -4.93 105.19 111.97 1uon n GLY 634 Ca 0.07 -0.12 -0.55 0.00 0.00 0.00 0.00 46.02 45.42 1uon n GLY 634 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1uon n VAL 635 N 0.00 0.19 -3.78 1.61 0.31 -1.25 -4.94 118.33 110.47 1uon n VAL 635 Ca 0.00 -0.13 -0.29 0.00 -0.01 0.00 0.00 64.34 63.91 1uon n VAL 635 Cb 0.00 -1.25 -0.16 0.00 -0.91 0.00 0.00 33.84 31.52 1uon n VAL 635 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1uon s ARG 636 N 5.24 0.88 0.10 5.55 3.52 -1.26 -4.44 118.95 128.54 1uon s ARG 636 Ca 1.08 -0.70 0.01 0.00 -0.13 0.00 0.00 55.73 55.99 1uon s ARG 636 Cb -1.07 -2.19 -0.00 0.00 -1.56 0.00 0.00 34.95 30.13 1uon s ARG 636 CO 0.59 -0.71 0.04 0.00 -0.81 0.00 0.00 175.30 174.40 1uon n ALA 637 N 4.92 0.14 -2.80 6.12 0.00 -1.03 -4.98 120.51 122.89 1uon n ALA 637 Ca -0.08 -0.52 -0.33 0.00 0.00 0.00 0.00 53.44 52.51 1uon n ALA 637 Cb 0.45 0.35 -0.07 0.00 0.00 0.00 0.00 19.45 20.19 1uon n ALA 637 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uon s ALA 638 N -2.28 3.64 -0.10 0.00 0.00 -1.26 -0.52 121.76 121.23 1uon s ALA 638 Ca 0.05 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.17 1uon s ALA 638 Cb 0.00 -1.62 0.02 0.00 0.00 0.00 0.00 23.12 21.52 1uon s ALA 638 CO 0.04 0.70 -0.12 0.50 0.00 0.00 0.00 175.76 176.87 1uon s ARG 639 N -1.76 1.92 0.04 0.00 3.52 -0.28 -4.87 118.95 117.51 1uon s ARG 639 Ca 0.23 -0.45 -0.30 0.00 -0.13 0.00 0.00 55.73 55.08 1uon s ARG 639 Cb -0.12 -1.72 -0.05 0.00 -1.56 0.00 0.00 34.95 31.50 1uon s ARG 639 CO 0.15 -0.11 1.24 -2.14 -0.81 0.00 0.00 175.30 173.63 1uon s PRO 640 N 1.15 4.39 0.20 5.12 0.02 -1.26 -2.02 135.00 142.58 1uon s PRO 640 Ca -0.04 1.81 0.09 0.00 0.02 0.00 0.00 61.00 62.87 1uon s PRO 640 Cb -0.14 -3.41 -0.04 0.00 0.02 0.00 0.00 34.50 30.93 1uon s PRO 640 CO -0.03 -0.35 -0.17 0.96 -0.33 0.00 0.00 177.00 177.08 1uon s ILE 641 N 1.46 1.90 0.89 2.83 -4.36 0.00 -5.00 121.20 118.92 1uon s ILE 641 Ca 0.59 -2.09 -0.13 0.00 -0.26 0.00 0.00 60.65 58.76 1uon s ILE 641 Cb -0.29 -1.98 0.13 0.00 1.25 0.00 0.00 42.46 41.56 1uon s ILE 641 CO 0.28 -0.42 1.21 -0.94 0.24 0.00 0.00 174.94 175.31 1uon s SER 642 N -3.00 3.79 0.23 4.36 1.04 -1.26 -1.97 113.70 116.88 1uon s SER 642 Ca 0.20 0.67 -0.05 0.00 0.48 0.00 0.00 55.95 57.25 1uon s SER 642 Cb -0.04 -1.04 0.22 0.00 0.10 0.00 0.00 66.02 65.26 1uon s SER 642 CO 0.08 -2.35 1.72 1.23 0.98 0.00 0.00 173.24 174.90 1uon h GLY 643 N -1.37 1.01 0.78 7.32 0.00 -1.26 0.23 103.07 109.78 1uon h GLY 643 Ca -0.46 -0.69 0.05 0.00 0.00 0.00 0.00 47.33 46.22 1uon h GLY 643 CO 0.56 0.64 0.47 1.98 0.00 0.00 0.00 176.54 180.19 1uon h MET 644 N 0.87 0.86 -0.09 4.80 1.85 -1.83 -0.20 114.93 121.20 1uon h MET 644 Ca 0.17 -0.05 -0.12 0.00 -0.61 0.00 0.00 59.70 59.08 1uon h MET 644 Cb 0.47 -0.19 -0.01 0.00 0.43 0.00 0.00 31.60 32.29 1uon h MET 644 CO 0.02 0.57 -0.50 1.96 -0.40 0.00 0.00 176.91 178.56 1uon h GLN 645 N 0.89 0.23 -0.78 0.39 4.20 -1.72 -2.56 115.11 115.76 1uon h GLN 645 Ca 0.32 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 1uon h GLN 645 Cb 0.10 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.86 1uon h GLN 645 CO -0.15 0.68 0.36 -0.97 -0.67 0.00 0.00 178.83 178.08 1uon h ASN 646 N 0.18 1.03 0.46 1.46 -0.73 0.89 0.51 115.58 119.37 1uon h ASN 646 Ca 0.01 -0.13 -0.02 0.00 1.87 0.00 0.00 56.30 58.03 1uon h ASN 646 Cb 0.95 -0.26 0.00 0.00 0.27 0.00 0.00 38.32 39.28 1uon h ASN 646 CO 0.08 0.88 -0.22 0.24 -0.37 0.00 0.00 177.43 178.03 1uon h MET 647 N 1.11 -0.59 -0.97 6.67 2.86 -0.69 0.39 114.93 123.70 1uon h MET 647 Ca 0.27 0.04 0.11 0.00 -2.06 0.00 0.00 59.70 58.06 1uon h MET 647 Cb 0.14 0.13 -0.08 0.00 0.06 0.00 0.00 31.60 31.86 1uon h MET 647 CO -0.03 -0.39 0.62 0.82 1.06 0.00 0.00 176.91 178.99 1uon h ILE 648 N -0.62 0.94 0.02 -1.22 1.08 -1.26 0.41 117.51 116.85 1uon h ILE 648 Ca -0.06 -0.33 0.02 0.00 -0.39 0.00 0.00 64.86 64.09 1uon h ILE 648 Cb 0.48 -0.11 -0.02 0.00 -3.07 0.00 0.00 36.82 34.09 1uon h ILE 648 CO 0.10 0.18 -0.12 -0.61 -0.69 0.00 0.00 178.15 177.01 1uon h GLN 649 N 0.96 -0.21 -0.11 2.37 5.75 -0.27 0.39 115.11 124.00 1uon h GLN 649 Ca 0.47 0.01 -0.15 0.00 -0.15 0.00 0.00 58.65 58.83 1uon h GLN 649 Cb 0.46 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.05 1uon h GLN 649 CO -0.23 -0.14 -0.60 0.45 -2.65 0.00 0.00 178.83 175.66 1uon h HIS 650 N -0.22 0.47 -0.42 3.99 3.86 0.36 -2.85 115.15 120.34 1uon h HIS 650 Ca 0.04 -0.18 -0.13 0.00 -1.16 0.00 0.00 60.37 58.94 1uon h HIS 650 Cb 0.26 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 1uon h HIS 650 CO -0.17 0.87 -0.27 1.25 0.86 0.00 0.00 177.93 180.47 1uon h LEU 651 N 0.27 0.92 -1.29 2.43 5.85 0.04 -2.74 115.31 120.80 1uon h LEU 651 Ca -0.00 -0.37 -0.03 0.00 0.84 0.00 0.00 57.88 58.32 1uon h LEU 651 Cb 1.12 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 1uon h LEU 651 CO 0.10 1.13 0.19 0.28 -0.34 0.00 0.00 178.44 179.80 1uon h SER 652 N 0.76 0.61 -0.61 1.25 0.02 -0.17 0.08 113.55 115.49 1uon h SER 652 Ca 0.09 -0.07 -0.07 0.00 -0.84 0.00 0.00 61.79 60.90 1uon h SER 652 Cb 0.83 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.18 1uon h SER 652 CO 0.07 0.56 0.13 0.50 -1.14 0.00 0.00 176.83 176.95 1uon h LYS 653 N 0.67 1.02 -0.03 3.45 3.64 -1.25 -1.21 116.57 122.86 1uon h LYS 653 Ca 0.16 -0.25 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1uon h LYS 653 Cb 0.14 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1uon h LYS 653 CO -0.02 0.92 -0.07 1.25 -2.27 0.00 0.00 179.45 179.27 1uon h LEU 654 N 0.97 0.11 -1.59 5.20 5.85 -1.15 -2.56 115.31 122.14 1uon h LEU 654 Ca 0.20 -0.58 0.04 0.00 0.84 0.00 0.00 57.88 58.38 1uon h LEU 654 Cb 0.38 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1uon h LEU 654 CO 0.01 0.67 0.33 1.88 -0.34 0.00 0.00 178.44 180.98 1uon h TYR 655 N -0.44 0.51 -0.02 1.25 0.05 -0.95 -0.24 116.97 117.13 1uon h TYR 655 Ca 0.00 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 1uon h TYR 655 Cb 0.65 -0.17 -0.00 0.00 1.01 0.00 0.00 36.73 38.22 1uon h TYR 655 CO 0.12 0.30 -0.02 0.87 -1.05 0.00 0.00 178.16 178.38 1uon h LYS 656 N 0.53 0.06 -0.15 4.88 1.57 -1.22 -3.33 116.57 118.91 1uon h LYS 656 Ca 0.20 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 1uon h LYS 656 Cb 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1uon h LYS 656 CO -0.05 0.52 0.03 -0.09 -0.57 0.00 0.00 179.45 179.29 1uon h ARG 657 N -0.41 0.25 0.00 3.15 2.43 -1.15 -3.49 114.38 115.16 1uon h ARG 657 Ca 0.00 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1uon h ARG 657 Cb 0.51 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1uon h ARG 657 CO 0.01 0.43 0.00 0.41 -1.51 0.00 0.00 179.97 179.30 1uon n GLY 658 N -0.45 0.82 3.54 2.80 0.00 -0.13 -4.91 105.19 106.87 1uon n GLY 658 Ca -0.05 -2.29 -0.34 0.00 0.00 0.00 0.00 46.02 43.34 1uon n GLY 658 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1uon s PHE 659 N -1.01 3.08 -0.73 1.61 0.08 -0.03 -4.82 117.98 116.15 1uon s PHE 659 Ca 0.00 -0.17 -0.22 0.00 0.12 0.00 0.00 56.93 56.66 1uon s PHE 659 Cb 0.00 -1.96 0.08 0.00 -0.57 0.00 0.00 43.02 40.58 1uon s PHE 659 CO 0.00 0.06 1.01 -1.12 -0.10 0.00 0.00 175.22 175.07 1uon s SER 660 N 0.21 6.29 -0.33 1.36 0.01 -1.26 -1.74 113.70 118.23 1uon s SER 660 Ca -0.01 -1.26 -0.25 0.00 1.31 0.00 0.00 55.95 55.74 1uon s SER 660 Cb -0.13 -2.42 0.01 0.00 0.21 0.00 0.00 66.02 63.69 1uon s SER 660 CO 0.02 -1.35 0.87 -0.47 0.41 0.00 0.00 173.24 172.73 1uon s TYR 661 N 3.73 3.15 -0.42 2.43 5.04 0.11 -0.14 117.35 131.25 1uon s TYR 661 Ca 0.25 0.84 -0.23 0.00 -2.44 0.00 0.00 57.07 55.49 1uon s TYR 661 Cb -0.14 -3.43 0.02 0.00 0.35 0.00 0.00 41.96 38.76 1uon s TYR 661 CO 0.05 -0.69 0.79 0.50 -1.34 0.00 0.00 175.55 174.86 1uon s ARG 662 N 3.23 3.53 -0.41 4.97 3.52 0.70 0.13 118.95 134.61 1uon s ARG 662 Ca 0.36 0.05 -0.12 0.00 -0.13 0.00 0.00 55.73 55.89 1uon s ARG 662 Cb -0.13 -3.90 0.05 0.00 -1.56 0.00 0.00 34.95 29.42 1uon s ARG 662 CO 0.15 -1.04 0.27 0.08 -0.81 0.00 0.00 175.30 173.95 1uon s VAL 663 N 3.26 4.67 -0.70 7.11 1.01 0.92 -2.92 120.40 133.76 1uon s VAL 663 Ca 0.31 -1.05 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 1uon s VAL 663 Cb -0.12 -3.72 0.18 0.00 0.00 0.00 0.00 36.38 32.71 1uon s VAL 663 CO 0.21 -0.40 0.53 0.20 0.00 0.00 0.00 175.10 175.64 1uon s ASN 664 N 1.95 5.41 -0.94 3.32 0.01 -1.26 -1.79 114.94 121.64 1uon s ASN 664 Ca 0.03 -3.11 -0.24 0.00 -0.71 0.00 0.00 52.86 48.82 1uon s ASN 664 Cb -0.21 -1.86 0.04 0.00 0.41 0.00 0.00 41.25 39.62 1uon s ASN 664 CO 0.06 -0.31 1.44 -0.62 -1.51 0.00 0.00 177.10 176.15 1uon s ASP 665 N 0.40 6.33 0.00 -1.22 -1.08 -1.03 -4.87 116.67 115.20 1uon s ASP 665 Ca 0.20 -1.14 0.12 0.00 -0.52 0.00 0.00 52.55 51.22 1uon s ASP 665 Cb -0.16 -2.57 0.57 0.00 -1.46 0.00 0.00 42.92 39.30 1uon s ASP 665 CO -0.06 -1.67 1.36 -1.54 0.52 0.00 0.00 175.17 173.78 1uon n SER 666 N 9.33 0.00 0.06 -0.34 3.41 -1.26 -1.67 113.62 123.15 1uon n SER 666 Ca 0.26 0.34 0.08 0.00 -0.26 0.00 0.00 58.87 59.29 1uon n SER 666 Cb 0.50 -0.41 -0.05 0.00 -0.26 0.00 0.00 64.21 63.99 1uon n SER 666 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1uon n PHE 667 N -1.41 0.79 -3.91 7.33 3.72 -1.26 -4.69 117.46 118.03 1uon n PHE 667 Ca 0.04 0.24 -0.32 0.00 -0.05 0.00 0.00 57.45 57.36 1uon n PHE 667 Cb 0.13 -0.92 -0.13 0.00 -0.94 0.00 0.00 39.48 37.61 1uon n PHE 667 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1uon s SER 668 N -5.33 4.72 -0.16 4.37 0.01 -0.67 -3.91 113.70 112.73 1uon s SER 668 Ca -0.03 -2.60 -0.40 0.00 1.31 0.00 0.00 55.95 54.23 1uon s SER 668 Cb 0.10 -1.70 -0.17 0.00 0.21 0.00 0.00 66.02 64.46 1uon s SER 668 CO 0.82 -0.34 1.52 -2.65 0.41 0.00 0.00 173.24 172.99 1uon n PRO 669 N 3.71 0.84 -0.97 12.44 -0.02 -1.26 -1.12 135.00 148.62 1uon n PRO 669 Ca 0.04 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1uon n PRO 669 Cb 0.37 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1uon n PRO 669 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uon n GLY 670 N 3.32 0.49 3.19 -1.23 0.00 -1.26 -4.78 105.19 104.93 1uon n GLY 670 Ca 0.24 -0.22 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 1uon n GLY 670 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1uon n ASN 671 N 0.41 5.92 -4.19 1.61 5.03 -0.28 -4.76 115.26 119.00 1uon n ASN 671 Ca 0.00 -3.20 -0.34 0.00 0.87 0.00 0.00 54.58 51.91 1uon n ASN 671 Cb 0.00 -1.34 -0.14 0.00 -1.02 0.00 0.00 39.78 37.28 1uon n ASN 671 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 1uon s ASP 672 N -0.02 4.23 0.08 6.41 1.01 -1.26 -2.46 116.67 124.66 1uon s ASP 672 Ca 0.31 -0.88 -0.22 0.00 0.71 0.00 0.00 52.55 52.47 1uon s ASP 672 Cb -0.03 -1.64 0.05 0.00 1.01 0.00 0.00 42.92 42.31 1uon s ASP 672 CO 0.00 -0.12 0.52 0.72 0.21 0.00 0.00 175.17 176.51 1uon s PHE 673 N 1.31 -0.42 -0.23 4.23 -0.12 -0.74 -5.03 117.98 116.98 1uon s PHE 673 Ca 0.00 0.37 -0.05 0.00 -0.05 0.00 0.00 56.93 57.20 1uon s PHE 673 Cb -0.17 0.38 -0.01 0.00 -0.63 0.00 0.00 43.02 42.59 1uon s PHE 673 CO -0.05 -0.70 -0.00 0.99 -0.05 0.00 0.00 175.22 175.41 1uon s THR 674 N -2.91 3.67 -0.19 -4.49 2.01 -1.26 -0.05 115.64 112.42 1uon s THR 674 Ca -0.03 -0.40 -0.05 0.00 0.31 0.00 0.00 61.69 61.51 1uon s THR 674 Cb -0.00 -2.70 -0.03 0.00 0.01 0.00 0.00 72.50 69.78 1uon s THR 674 CO -0.05 0.39 0.01 -2.28 -0.69 0.00 0.00 174.62 171.99 1uon s HIS 675 N 1.52 3.08 -0.01 4.92 2.46 0.12 -4.91 115.29 122.48 1uon s HIS 675 Ca 0.06 -0.30 -0.17 0.00 0.47 0.00 0.00 55.06 55.11 1uon s HIS 675 Cb -0.15 -2.06 -0.06 0.00 -0.13 0.00 0.00 32.58 30.19 1uon s HIS 675 CO -0.01 -0.12 0.49 1.41 -2.47 0.00 0.00 174.74 174.04 1uon s MET 676 N 0.76 4.13 0.03 2.88 1.75 -1.26 0.09 119.30 127.68 1uon s MET 676 Ca 0.01 0.54 -0.09 0.00 -1.25 0.00 0.00 55.69 54.90 1uon s MET 676 Cb -0.14 -3.29 0.00 0.00 2.84 0.00 0.00 34.83 34.25 1uon s MET 676 CO 0.02 0.52 0.18 -0.08 -0.65 0.00 0.00 175.02 175.01 1uon s THR 677 N -0.61 0.10 -1.72 10.11 -1.32 -0.71 -4.97 115.64 116.52 1uon s THR 677 Ca 0.26 -0.86 0.18 0.00 -1.21 0.00 0.00 61.69 60.06 1uon s THR 677 Cb -0.17 -0.80 0.40 0.00 -1.51 0.00 0.00 72.50 70.42 1uon s THR 677 CO 0.15 -0.47 1.32 0.35 -2.21 0.00 0.00 174.62 173.76 1uon n THR 678 N 0.87 0.73 -2.32 5.08 -2.24 -1.26 -0.86 114.28 114.28 1uon n THR 678 Ca -0.20 -0.86 -0.38 0.00 -2.27 0.00 0.00 64.05 60.34 1uon n THR 678 Cb 0.58 0.74 -0.02 0.00 -2.10 0.00 0.00 70.33 69.53 1uon n THR 678 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1uon s THR 679 N -1.14 3.20 0.33 4.28 2.01 -1.26 -4.67 115.64 118.39 1uon s THR 679 Ca 0.33 1.02 -0.28 0.00 0.31 0.00 0.00 61.69 63.07 1uon s THR 679 Cb 0.18 -3.57 -0.10 0.00 0.01 0.00 0.00 72.50 69.02 1uon s THR 679 CO 0.25 0.10 1.25 0.12 -0.69 0.00 0.00 174.62 175.65 1uon s PHE 680 N -1.41 3.15 0.35 4.92 5.36 0.46 -4.84 117.98 125.96 1uon s PHE 680 Ca 0.56 1.48 -0.28 0.00 -0.96 0.00 0.00 56.93 57.73 1uon s PHE 680 Cb -0.30 -3.58 -0.10 0.00 -0.34 0.00 0.00 43.02 38.70 1uon s PHE 680 CO 0.38 -1.56 1.33 -2.14 -1.46 0.00 0.00 175.22 171.77 1uon s PRO 681 N -1.78 4.27 -0.18 10.12 0.02 -1.26 -4.78 135.00 141.40 1uon s PRO 681 Ca 0.49 2.25 -0.09 0.00 0.02 0.00 0.00 61.00 63.67 1uon s PRO 681 Cb -0.37 -3.01 -0.22 0.00 0.02 0.00 0.00 34.50 30.92 1uon s PRO 681 CO 0.49 -0.28 0.15 0.43 -0.33 0.00 0.00 177.00 177.47 1uon n SER 682 N 0.65 2.02 0.00 2.53 7.64 -1.26 -4.20 113.62 121.01 1uon n SER 682 Ca 0.01 0.21 0.04 0.00 1.01 0.00 0.00 58.87 60.13 1uon n SER 682 Cb 0.42 -0.80 0.22 0.00 -1.01 0.00 0.00 64.21 63.03 1uon n SER 682 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uon n GLY 683 N 1.84 -0.34 3.78 0.23 0.00 -1.08 -4.73 105.19 104.89 1uon n GLY 683 Ca -0.37 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.23 1uon n GLY 683 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1uon s SER 684 N -1.89 7.10 0.28 1.61 0.15 -1.26 -4.51 113.70 115.18 1uon s SER 684 Ca 0.11 2.00 0.23 0.00 0.70 0.00 0.00 55.95 58.98 1uon s SER 684 Cb 0.05 -2.59 1.05 0.00 -1.71 0.00 0.00 66.02 62.82 1uon s SER 684 CO 0.08 -0.25 1.69 0.35 1.20 0.00 0.00 173.24 176.31 1uon n THR 685 N 0.44 0.92 0.01 6.45 -2.24 -1.26 -2.56 114.28 116.04 1uon n THR 685 Ca 0.03 0.43 -0.09 0.00 -2.27 0.00 0.00 64.05 62.14 1uon n THR 685 Cb 0.49 -1.39 -0.14 0.00 -2.10 0.00 0.00 70.33 67.19 1uon n THR 685 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1uon h ALA 686 N 2.16 0.62 -1.52 6.98 0.00 -1.91 -3.43 119.26 122.15 1uon h ALA 686 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 54.91 53.61 1uon h ALA 686 Cb 0.22 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1uon h ALA 686 CO 0.00 1.46 0.00 2.41 0.00 0.00 0.00 179.25 183.12 1uon n THR 687 N -3.17 0.00 0.06 0.00 -1.04 -1.06 -0.22 114.28 108.85 1uon n THR 687 Ca -0.13 0.68 -0.15 0.00 -2.04 0.00 0.00 64.05 62.41 1uon n THR 687 Cb 1.02 -0.99 -0.08 0.00 -1.82 0.00 0.00 70.33 68.46 1uon n THR 687 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 1uon h SER 688 N 0.00 -1.49 -0.83 8.00 0.87 -1.83 -1.33 113.55 116.94 1uon h SER 688 Ca 0.00 0.17 0.03 0.00 -1.23 0.00 0.00 61.79 60.76 1uon h SER 688 Cb 0.00 0.57 -0.05 0.00 -0.44 0.00 0.00 62.40 62.49 1uon h SER 688 CO 0.00 -0.50 0.55 0.00 -0.53 0.00 0.00 176.83 176.35 1uon h THR 689 N -0.63 1.16 0.33 2.23 1.03 -1.80 -1.85 112.91 113.37 1uon h THR 689 Ca 0.03 -0.36 -0.02 0.00 -0.01 0.00 0.00 66.41 66.05 1uon h THR 689 Cb 0.70 0.01 0.00 0.00 -1.07 0.00 0.00 68.15 67.79 1uon h THR 689 CO -0.34 0.19 -0.17 -0.08 -0.01 0.00 0.00 175.52 175.12 1uon h GLU 690 N 1.05 -0.44 -0.17 0.00 4.22 -0.12 -1.23 114.58 117.89 1uon h GLU 690 Ca 0.32 0.03 -0.04 0.00 0.08 0.00 0.00 59.36 59.75 1uon h GLU 690 Cb -0.01 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1uon h GLU 690 CO -0.09 -0.29 -0.08 0.45 -2.18 0.00 0.00 179.01 176.82 1uon h HIS 691 N -0.46 0.27 -0.37 0.92 3.86 -1.05 -1.57 115.15 116.75 1uon h HIS 691 Ca -0.04 -0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.07 1uon h HIS 691 Cb 0.35 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.73 1uon h HIS 691 CO -0.06 0.35 -0.04 1.15 0.86 0.00 0.00 177.93 180.19 1uon h THR 692 N 0.26 1.27 -0.41 2.45 2.02 -1.01 -1.14 112.91 116.34 1uon h THR 692 Ca 0.06 -1.08 -0.01 0.00 0.77 0.00 0.00 66.41 66.15 1uon h THR 692 Cb 0.30 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 1uon h THR 692 CO 0.01 0.36 0.21 0.00 0.37 0.00 0.00 175.52 176.47 1uon h ALA 693 N 0.85 0.53 -0.47 6.16 0.00 -0.60 -2.35 119.26 123.38 1uon h ALA 693 Ca 0.10 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1uon h ALA 693 Cb 0.53 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1uon h ALA 693 CO 0.03 0.09 -0.19 -0.91 0.00 0.00 0.00 179.25 178.27 1uon h ASN 694 N 0.53 0.96 0.02 0.00 2.35 -1.27 -1.39 115.58 116.79 1uon h ASN 694 Ca 0.14 -0.35 0.01 0.00 -0.55 0.00 0.00 56.30 55.56 1uon h ASN 694 Cb 0.10 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.17 1uon h ASN 694 CO -0.02 1.12 -0.39 -1.13 -1.65 0.00 0.00 177.43 175.36 1uon h ASN 695 N 0.82 -1.20 -0.89 5.81 -0.73 -0.94 -0.09 115.58 118.37 1uon h ASN 695 Ca 0.11 0.13 -0.01 0.00 1.87 0.00 0.00 56.30 58.41 1uon h ASN 695 Cb 0.75 0.45 -0.04 0.00 0.27 0.00 0.00 38.32 39.75 1uon h ASN 695 CO 0.06 -0.39 0.53 0.77 -0.37 0.00 0.00 177.43 178.04 1uon h SER 696 N -0.51 1.07 -0.49 1.15 4.64 -1.42 -2.16 113.55 115.83 1uon h SER 696 Ca 0.01 -0.06 0.01 0.00 -0.47 0.00 0.00 61.79 61.27 1uon h SER 696 Cb 0.53 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.33 1uon h SER 696 CO -0.25 0.82 0.31 0.74 -0.87 0.00 0.00 176.83 177.59 1uon h THR 697 N 1.23 1.10 -0.21 2.95 2.02 -0.81 0.16 112.91 119.34 1uon h THR 697 Ca 0.32 -0.22 -0.17 0.00 0.77 0.00 0.00 66.41 67.11 1uon h THR 697 Cb -0.05 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 66.76 1uon h THR 697 CO -0.06 0.12 -0.55 0.24 0.37 0.00 0.00 175.52 175.64 1uon h MET 698 N 0.64 0.64 -0.28 6.66 2.86 -0.83 -1.00 114.93 123.61 1uon h MET 698 Ca 0.19 -0.40 -0.08 0.00 -2.06 0.00 0.00 59.70 57.34 1uon h MET 698 Cb -0.04 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1uon h MET 698 CO -0.06 1.02 -0.19 1.98 1.06 0.00 0.00 176.91 180.72 1uon h MET 699 N 0.49 0.50 -0.04 1.72 -1.53 -1.11 0.56 114.93 115.52 1uon h MET 699 Ca 0.01 -0.16 -0.01 0.00 -3.44 0.00 0.00 59.70 56.10 1uon h MET 699 Cb 1.11 -0.04 -0.00 0.00 -0.55 0.00 0.00 31.60 32.12 1uon h MET 699 CO 0.11 0.66 -0.01 1.49 0.14 0.00 0.00 176.91 179.31 1uon h GLU 700 N 0.45 0.07 -0.61 0.39 4.22 -0.50 -1.88 114.58 116.72 1uon h GLU 700 Ca 0.08 -0.02 0.02 0.00 0.08 0.00 0.00 59.36 59.51 1uon h GLU 700 Cb 0.58 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 1uon h GLU 700 CO 0.04 0.40 0.41 1.15 -2.18 0.00 0.00 179.01 178.83 1uon h THR 701 N -0.28 1.11 0.35 0.32 2.02 -0.75 0.54 112.91 116.22 1uon h THR 701 Ca 0.01 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 1uon h THR 701 Cb 0.38 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 1uon h THR 701 CO 0.00 0.14 -0.17 0.15 0.37 0.00 0.00 175.52 176.01 1uon h PHE 702 N 0.76 -0.44 0.00 3.16 3.57 -0.76 0.21 116.94 123.44 1uon h PHE 702 Ca 0.24 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 1uon h PHE 702 Cb 0.02 0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.90 1uon h PHE 702 CO -0.00 -0.13 -0.15 -0.07 -2.23 0.00 0.00 178.31 175.73 1uon h LEU 703 N -0.74 0.00 0.04 0.59 3.38 -0.96 0.10 115.31 117.72 1uon h LEU 703 Ca -0.05 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.57 1uon h LEU 703 Cb 0.50 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 1uon h LEU 703 CO 0.08 0.15 -2.08 0.41 0.09 0.00 0.00 178.44 177.09 1uon n THR 704 N -4.19 1.60 0.00 0.22 -1.04 0.15 -4.68 114.28 106.33 1uon n THR 704 Ca -0.02 -0.72 0.00 0.00 -2.04 0.00 0.00 64.05 61.26 1uon n THR 704 Cb 0.22 -1.21 0.00 0.00 -1.82 0.00 0.00 70.33 67.53 1uon n THR 704 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1uon n VAL 705 N -3.16 0.00 -0.01 12.58 0.31 0.70 -4.82 118.33 123.94 1uon n VAL 705 Ca -0.30 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.01 1uon n VAL 705 Cb 1.06 -0.80 -0.01 0.00 -0.91 0.00 0.00 33.84 33.17 1uon n VAL 705 CO 0.00 0.00 0.00 -0.25 -1.32 0.00 0.00 176.83 175.26 1uon h TRP 706 N 0.00 -0.23 0.00 3.52 7.01 -1.48 -1.98 115.95 122.79 1uon h TRP 706 Ca 0.00 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.01 1uon h TRP 706 Cb 0.00 0.11 0.00 0.00 -2.10 0.00 0.00 29.16 27.17 1uon h TRP 706 CO 0.00 -0.07 0.00 0.41 -2.79 0.00 0.00 178.44 175.99 1uon n GLY 707 N -1.06 -2.54 0.33 2.65 0.00 0.35 -0.41 105.19 104.50 1uon n GLY 707 Ca -0.01 0.50 0.27 0.00 0.00 0.00 0.00 46.02 46.78 1uon n GLY 707 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1uon h PRO 708 N 0.00 0.21 0.00 1.61 0.11 -1.73 0.58 132.00 132.78 1uon h PRO 708 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1uon h PRO 708 Cb 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.06 1uon h PRO 708 CO 0.00 0.14 0.00 0.39 -0.21 0.00 0.00 178.00 178.32 1uon n GLU 709 N -5.12 0.46 -0.11 1.05 1.02 0.45 -3.74 120.64 114.65 1uon n GLU 709 Ca 0.34 0.02 0.10 0.00 -0.02 0.00 0.00 57.16 57.60 1uon n GLU 709 Cb 1.09 -1.50 0.15 0.00 -0.02 0.00 0.00 31.44 31.17 1uon n GLU 709 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1uon n HIS 710 N -1.25 0.08 -3.56 -0.32 8.25 0.20 -5.02 115.22 113.61 1uon n HIS 710 Ca 0.14 -1.00 -0.11 0.00 -0.26 0.00 0.00 57.72 56.50 1uon n HIS 710 Cb 0.21 -0.17 -0.05 0.00 1.12 0.00 0.00 29.99 31.11 1uon n HIS 710 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1uon s THR 711 N -2.88 0.00 0.00 1.59 -1.32 -1.21 -5.02 115.64 106.80 1uon s THR 711 Ca 0.33 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.81 1uon s THR 711 Cb 0.29 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.28 1uon s THR 711 CO 0.03 0.00 0.81 0.47 -2.21 0.00 0.00 174.62 173.73 1uon n ASP 712 N 0.55 1.53 -4.60 8.08 9.92 -1.26 -4.82 116.55 125.95 1uon n ASP 712 Ca -0.11 -1.66 -0.43 0.00 -0.53 0.00 0.00 54.79 52.07 1uon n ASP 712 Cb 0.59 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.04 1uon n ASP 712 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1uon s ASP 713 N -0.66 5.70 0.31 -2.24 -1.08 -1.26 -4.89 116.67 112.55 1uon s ASP 713 Ca 0.00 1.43 0.07 0.00 -0.52 0.00 0.00 52.55 53.54 1uon s ASP 713 Cb 0.00 -2.52 0.80 0.00 -1.46 0.00 0.00 42.92 39.74 1uon s ASP 713 CO 0.00 -1.84 1.76 -0.65 0.52 0.00 0.00 175.17 174.96 1uon h PRO 714 N 13.78 0.67 -0.16 4.34 0.11 -1.98 0.10 132.00 148.87 1uon h PRO 714 Ca -0.35 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.64 1uon h PRO 714 Cb 1.19 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1uon h PRO 714 CO 1.02 0.44 -0.22 -0.44 -0.21 0.00 0.00 178.00 178.60 1uon h ASP 715 N 0.69 0.47 -0.44 -2.05 3.32 -1.98 -0.05 116.42 116.38 1uon h ASP 715 Ca 0.61 -0.51 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 1uon h ASP 715 Cb 1.03 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.43 1uon h ASP 715 CO -0.42 0.89 0.19 0.58 -1.72 0.00 0.00 179.24 178.77 1uon h VAL 716 N 0.06 1.19 -0.43 -1.35 2.07 -1.73 0.49 116.25 116.56 1uon h VAL 716 Ca 0.02 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 1uon h VAL 716 Cb 0.78 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1uon h VAL 716 CO 0.05 0.22 0.25 -0.07 0.02 0.00 0.00 177.57 178.04 1uon h LEU 717 N 0.57 0.51 -0.04 2.57 3.38 -0.77 0.69 115.31 122.23 1uon h LEU 717 Ca 0.15 -0.03 -0.21 0.00 0.09 0.00 0.00 57.88 57.88 1uon h LEU 717 Cb 0.16 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.80 1uon h LEU 717 CO -0.02 0.40 -0.79 -0.09 0.09 0.00 0.00 178.44 178.03 1uon h ARG 718 N 0.59 0.61 0.28 1.13 2.43 -0.17 -2.35 114.38 116.91 1uon h ARG 718 Ca 0.15 -0.60 -0.01 0.00 -0.81 0.00 0.00 59.98 58.71 1uon h ARG 718 Cb -0.01 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1uon h ARG 718 CO -0.03 1.21 -0.14 1.25 -1.51 0.00 0.00 179.97 180.76 1uon h LEU 719 N 0.24 -0.32 -0.97 3.80 5.85 0.58 -2.23 115.31 122.26 1uon h LEU 719 Ca -0.09 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.65 1uon h LEU 719 Cb 1.46 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 42.51 1uon h LEU 719 CO 0.16 -0.19 0.64 0.24 -0.34 0.00 0.00 178.44 178.94 1uon h MET 720 N -0.42 1.20 -0.28 1.25 2.86 -0.97 -1.82 114.93 116.75 1uon h MET 720 Ca -0.04 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 1uon h MET 720 Cb 0.32 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 1uon h MET 720 CO 0.06 0.79 0.12 -0.22 1.06 0.00 0.00 176.91 178.72 1uon h LYS 721 N 1.23 0.38 -0.01 1.72 3.64 -1.16 -1.56 116.57 120.83 1uon h LYS 721 Ca 0.39 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 1uon h LYS 721 Cb -0.01 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1uon h LYS 721 CO -0.12 0.32 0.00 -1.13 -2.27 0.00 0.00 179.45 176.25 1uon n SER 722 N -4.43 0.29 -4.62 4.20 3.41 -0.70 -4.80 113.62 106.98 1uon n SER 722 Ca 0.01 -1.17 -0.34 0.00 -0.26 0.00 0.00 58.87 57.11 1uon n SER 722 Cb 0.12 -0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.97 1uon n SER 722 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1uon s LEU 723 N -1.92 3.40 0.01 1.04 1.43 -0.59 -4.97 118.68 117.08 1uon s LEU 723 Ca 0.43 0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.59 1uon s LEU 723 Cb 0.20 -1.78 -0.01 0.00 0.03 0.00 0.00 46.19 44.64 1uon s LEU 723 CO 0.34 0.33 -0.06 -0.89 0.23 0.00 0.00 176.35 176.30 1uon s THR 724 N -0.62 0.42 -1.30 5.49 2.01 -1.26 -4.98 115.64 115.39 1uon s THR 724 Ca 0.10 -0.46 0.17 0.00 0.31 0.00 0.00 61.69 61.81 1uon s THR 724 Cb -0.12 -0.40 0.24 0.00 0.01 0.00 0.00 72.50 72.24 1uon s THR 724 CO 0.02 -0.03 1.50 2.30 -0.69 0.00 0.00 174.62 177.72 1uon n ILE 725 N 2.53 0.62 0.23 1.82 -5.35 -1.26 0.04 119.36 117.99 1uon n ILE 725 Ca -0.16 0.16 0.11 0.00 -0.27 0.00 0.00 62.75 62.59 1uon n ILE 725 Cb 0.57 -0.88 -0.08 0.00 -1.74 0.00 0.00 39.64 37.51 1uon n ILE 725 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1uon n GLN 726 N -1.35 0.51 0.00 6.28 3.00 -1.26 -3.12 117.38 121.44 1uon n GLN 726 Ca 0.07 -0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 1uon n GLN 726 Cb 0.15 -1.61 0.00 0.00 0.00 0.00 0.00 30.24 28.78 1uon n GLN 726 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1uon n ARG 727 N -2.23 3.04 -0.01 -1.09 1.74 -0.89 -4.74 116.66 112.47 1uon n ARG 727 Ca -0.01 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.09 1uon n ARG 727 Cb 0.52 -0.92 0.02 0.00 -1.02 0.00 0.00 32.46 31.06 1uon n ARG 727 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1uon n ASN 728 N -1.81 1.56 -3.82 0.55 3.02 0.11 -4.95 115.26 109.91 1uon n ASN 728 Ca 0.00 -1.37 -0.27 0.00 -0.03 0.00 0.00 54.58 52.91 1uon n ASN 728 Cb 0.42 -0.02 -0.17 0.00 -0.61 0.00 0.00 39.78 39.40 1uon n ASN 728 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1uon s TYR 729 N -0.48 1.34 -0.14 3.10 5.04 -1.18 -0.59 117.35 124.45 1uon s TYR 729 Ca 0.05 -0.92 -0.03 0.00 -2.44 0.00 0.00 57.07 53.73 1uon s TYR 729 Cb 0.03 -1.15 -0.03 0.00 0.35 0.00 0.00 41.96 41.17 1uon s TYR 729 CO 0.05 -0.59 -0.03 0.08 -1.34 0.00 0.00 175.55 173.72 1uon s VAL 730 N 1.75 3.95 0.07 3.14 1.01 -0.96 -4.25 120.40 125.11 1uon s VAL 730 Ca 0.00 -0.35 -0.09 0.00 0.00 0.00 0.00 61.98 61.54 1uon s VAL 730 Cb -0.16 -2.71 -0.00 0.00 0.00 0.00 0.00 36.38 33.51 1uon s VAL 730 CO -0.07 0.52 0.19 0.00 0.00 0.00 0.00 175.10 175.73 1uon s GLN 732 N -3.35 0.20 7.95 0.00 0.74 -0.72 -3.32 119.66 121.16 1uon s GLN 732 Ca 0.01 0.82 0.00 0.00 0.05 0.00 0.00 55.36 56.24 1uon s GLN 732 Cb 0.03 0.06 0.00 0.00 1.10 0.00 0.00 33.01 34.20 1uon s GLN 732 CO -0.08 -0.27 0.00 0.41 -0.55 0.00 0.00 175.29 174.80 1uon n GLY 733 N 5.28 3.95 1.11 2.59 0.00 -1.26 -1.29 105.19 115.57 1uon n GLY 733 Ca -0.08 0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.05 1uon n GLY 733 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1uon n ASP 734 N 8.34 4.06 -4.80 1.61 5.75 -1.26 -3.42 116.55 126.82 1uon n ASP 734 Ca 0.00 -2.59 -0.36 0.00 -0.01 0.00 0.00 54.79 51.83 1uon n ASP 734 Cb 0.00 -0.49 -0.07 0.00 -1.03 0.00 0.00 41.12 39.53 1uon n ASP 734 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1uon s ASP 735 N -1.31 6.10 0.01 -1.12 2.15 -0.41 -2.46 116.67 119.63 1uon s ASP 735 Ca 0.41 0.34 -0.00 0.00 0.43 0.00 0.00 52.55 53.72 1uon s ASP 735 Cb 0.29 -1.97 -0.01 0.00 -0.30 0.00 0.00 42.92 40.93 1uon s ASP 735 CO 0.16 0.34 -0.01 -0.83 -0.17 0.00 0.00 175.17 174.66 1uon s GLY 736 N -0.61 0.13 -0.25 2.66 0.00 0.14 -1.75 107.32 107.63 1uon s GLY 736 Ca 0.12 -0.31 -0.00 0.00 0.00 0.00 0.00 44.72 44.53 1uon s GLY 736 CO 0.02 -0.35 0.02 -2.27 0.00 0.00 0.00 173.10 170.52 1uon s LEU 737 N -0.81 2.26 -0.51 0.66 2.96 -0.15 -0.34 118.68 122.75 1uon s LEU 737 Ca -0.09 -1.27 -0.22 0.00 -0.22 0.00 0.00 54.13 52.34 1uon s LEU 737 Cb -0.06 -0.97 0.04 0.00 0.50 0.00 0.00 46.19 45.71 1uon s LEU 737 CO -0.00 -0.31 0.78 -0.32 -1.32 0.00 0.00 176.35 175.17 1uon s MET 738 N 1.54 3.25 -0.46 1.98 -2.45 -0.40 -2.27 119.30 120.50 1uon s MET 738 Ca 0.01 -0.50 -0.20 0.00 -1.25 0.00 0.00 55.69 53.75 1uon s MET 738 Cb -0.18 -4.05 0.03 0.00 1.25 0.00 0.00 34.83 31.88 1uon s MET 738 CO -0.12 -1.30 0.62 0.42 1.05 0.00 0.00 175.02 175.69 1uon s ILE 739 N 3.27 4.86 -0.60 10.11 1.01 0.24 -1.35 121.20 138.75 1uon s ILE 739 Ca 0.24 -0.10 -0.18 0.00 0.00 0.00 0.00 60.65 60.61 1uon s ILE 739 Cb -0.15 -4.21 0.12 0.00 0.01 0.00 0.00 42.46 38.22 1uon s ILE 739 CO 0.17 -0.64 0.66 -0.63 0.00 0.00 0.00 174.94 174.50 1uon s ILE 740 N 2.71 4.99 0.76 2.92 1.09 0.38 -4.73 121.20 129.32 1uon s ILE 740 Ca 0.19 -1.27 -0.15 0.00 -1.10 0.00 0.00 60.65 58.33 1uon s ILE 740 Cb -0.16 -4.46 0.02 0.00 -1.06 0.00 0.00 42.46 36.81 1uon s ILE 740 CO 0.16 -1.06 0.93 0.47 -0.10 0.00 0.00 174.94 175.35 1uon n ASP 741 N 5.86 0.23 -4.87 3.58 10.43 -1.26 -1.94 116.55 128.57 1uon n ASP 741 Ca -0.08 0.61 -0.21 0.00 2.57 0.00 0.00 54.79 57.68 1uon n ASP 741 Cb 0.42 -1.40 -0.03 0.00 1.84 0.00 0.00 41.12 41.95 1uon n ASP 741 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 1uon s GLY 742 N -1.77 1.57 0.09 0.44 0.00 -1.24 -4.73 107.32 101.67 1uon s GLY 742 Ca 0.71 -1.50 0.01 0.00 0.00 0.00 0.00 44.72 43.94 1uon s GLY 742 CO 0.53 -1.48 0.08 2.41 0.00 0.00 0.00 173.10 174.63 1uon n THR 743 N -1.33 0.00 0.18 0.90 -1.04 0.41 -4.88 114.28 108.51 1uon n THR 743 Ca -0.05 -0.35 0.06 0.00 -2.04 0.00 0.00 64.05 61.68 1uon n THR 743 Cb 0.59 -0.50 0.12 0.00 -1.82 0.00 0.00 70.33 68.71 1uon n THR 743 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 1uon h THR 744 N 0.45 0.54 0.00 12.58 2.02 -2.00 -2.80 112.91 123.69 1uon h THR 744 Ca -0.05 -1.70 0.00 0.00 0.77 0.00 0.00 66.41 65.43 1uon h THR 744 Cb 0.21 2.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.83 1uon h THR 744 CO 0.08 0.30 0.00 0.00 0.37 0.00 0.00 175.52 176.27 1uon n ALA 745 N -2.18 2.30 0.00 6.16 0.00 -1.26 -4.97 120.51 120.56 1uon n ALA 745 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1uon n ALA 745 Cb 0.64 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.04 1uon n ALA 745 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uon n GLY 746 N 0.31 1.05 3.78 0.00 0.00 -1.06 -4.98 105.19 104.30 1uon n GLY 746 Ca 0.02 -1.64 -0.23 0.00 0.00 0.00 0.00 46.02 44.17 1uon n GLY 746 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uon s LYS 747 N 0.00 2.78 0.40 1.61 -2.85 -1.26 -0.44 119.74 119.99 1uon s LYS 747 Ca 0.00 -1.09 -0.26 0.00 -1.00 0.00 0.00 55.97 53.62 1uon s LYS 747 Cb 0.00 -2.50 -0.09 0.00 -2.06 0.00 0.00 37.83 33.18 1uon s LYS 747 CO 0.00 0.41 1.35 0.08 0.10 0.00 0.00 175.35 177.29 1uon s VAL 748 N -2.07 2.45 0.10 1.79 1.01 -1.26 -4.90 120.40 117.51 1uon s VAL 748 Ca 0.32 0.41 -0.36 0.00 0.00 0.00 0.00 61.98 62.35 1uon s VAL 748 Cb -0.08 -3.25 -0.17 0.00 0.00 0.00 0.00 36.38 32.89 1uon s VAL 748 CO 0.23 0.07 1.29 -3.20 0.00 0.00 0.00 175.10 173.49 1uon n ASN 749 N 0.17 1.49 -0.01 3.32 5.15 -1.26 -4.89 115.26 119.23 1uon n ASN 749 Ca 0.03 1.13 -0.02 0.00 -0.60 0.00 0.00 54.58 55.12 1uon n ASN 749 Cb 0.42 -1.18 0.23 0.00 -0.53 0.00 0.00 39.78 38.73 1uon n ASN 749 CO 0.00 0.00 0.00 -1.28 1.40 0.00 0.00 177.26 177.38 1uon h SER 750 N 4.23 0.53 -0.38 1.20 0.87 -1.90 -2.37 113.55 115.72 1uon h SER 750 Ca -0.47 -0.14 -0.16 0.00 -1.23 0.00 0.00 61.79 59.80 1uon h SER 750 Cb 1.34 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.16 1uon h SER 750 CO 0.75 0.68 -0.36 -0.08 -0.53 0.00 0.00 176.83 177.29 1uon h GLU 751 N 0.50 0.94 -0.63 2.24 4.81 -1.92 -0.04 114.58 120.48 1uon h GLU 751 Ca 0.09 -0.48 -0.09 0.00 -0.13 0.00 0.00 59.36 58.75 1uon h GLU 751 Cb 0.50 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 1uon h GLU 751 CO 0.03 1.14 0.05 1.15 -0.73 0.00 0.00 179.01 180.65 1uon h THR 752 N 0.77 1.26 -0.38 0.32 2.02 -1.91 -1.71 112.91 113.28 1uon h THR 752 Ca 0.07 -1.10 -0.03 0.00 0.77 0.00 0.00 66.41 66.12 1uon h THR 752 Cb 0.96 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 1uon h THR 752 CO 0.09 0.41 0.13 0.40 0.37 0.00 0.00 175.52 176.92 1uon h ILE 753 N 1.00 1.21 -0.21 3.11 2.04 -1.24 -2.15 117.51 121.28 1uon h ILE 753 Ca 0.19 -0.66 0.03 0.00 1.00 0.00 0.00 64.86 65.42 1uon h ILE 753 Cb 0.50 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 1uon h ILE 753 CO 0.02 0.23 0.14 1.56 0.00 0.00 0.00 178.15 180.11 1uon h GLN 754 N 0.47 0.14 -0.12 2.37 1.08 -0.65 -0.92 115.11 117.47 1uon h GLN 754 Ca 0.12 -0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 57.26 1uon h GLN 754 Cb 0.23 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.63 1uon h GLN 754 CO -0.01 0.09 -0.14 -0.91 -0.95 0.00 0.00 178.83 176.91 1uon h ASN 755 N 0.14 0.34 -0.17 1.46 2.35 -0.82 -2.63 115.58 116.24 1uon h ASN 755 Ca 0.09 -0.50 0.03 0.00 -0.55 0.00 0.00 56.30 55.37 1uon h ASN 755 Cb 0.18 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.42 1uon h ASN 755 CO -0.01 0.77 -0.04 -0.78 -1.65 0.00 0.00 177.43 175.71 1uon h ASP 756 N -0.09 -0.16 -0.59 5.81 3.58 -0.72 -2.51 116.42 121.74 1uon h ASP 756 Ca 0.02 0.05 0.04 0.00 0.42 0.00 0.00 57.03 57.56 1uon h ASP 756 Cb 0.68 0.11 -0.04 0.00 1.72 0.00 0.00 39.33 41.80 1uon h ASP 756 CO 0.03 -0.06 0.34 -0.07 -2.88 0.00 0.00 179.24 176.61 1uon h LEU 757 N 0.00 0.53 -1.56 2.28 3.38 -1.22 -1.58 115.31 117.14 1uon h LEU 757 Ca 0.08 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1uon h LEU 757 Cb 0.13 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1uon h LEU 757 CO -0.18 0.36 0.16 -0.33 0.09 0.00 0.00 178.44 178.54 1uon h GLU 758 N 0.66 0.46 -0.17 1.13 5.08 -1.17 -0.64 114.58 119.92 1uon h GLU 758 Ca 0.25 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.39 1uon h GLU 758 Cb 0.09 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1uon h GLU 758 CO -0.13 0.36 -0.60 -0.07 -1.00 0.00 0.00 179.01 177.56 1uon h LEU 759 N 0.46 0.65 -0.17 1.33 3.38 -0.95 -1.61 115.31 118.40 1uon h LEU 759 Ca 0.12 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1uon h LEU 759 Cb 0.05 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1uon h LEU 759 CO -0.02 1.10 0.07 0.40 0.09 0.00 0.00 178.44 180.08 1uon h ILE 760 N 0.43 1.16 -0.06 1.22 2.04 -0.36 0.74 117.51 122.67 1uon h ILE 760 Ca -0.00 -0.49 0.03 0.00 1.00 0.00 0.00 64.86 65.40 1uon h ILE 760 Cb 1.16 1.17 -0.04 0.00 -0.74 0.00 0.00 36.82 38.38 1uon h ILE 760 CO 0.11 0.15 -0.15 -1.28 0.00 0.00 0.00 178.15 176.99 1uon h SER 761 N 0.11 -0.45 -0.44 1.72 0.87 -1.05 -1.39 113.55 112.93 1uon h SER 761 Ca 0.06 0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.67 1uon h SER 761 Cb 0.18 0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 1uon h SER 761 CO -0.00 -0.20 0.20 0.11 -0.53 0.00 0.00 176.83 176.41 1uon h LYS 762 N -0.22 0.70 -0.37 2.24 1.57 -1.18 -2.89 116.57 116.42 1uon h LYS 762 Ca 0.07 -0.10 0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1uon h LYS 762 Cb 0.31 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 1uon h LYS 762 CO -0.19 0.58 0.17 -0.92 -0.57 0.00 0.00 179.45 178.51 1uon h TYR 763 N 0.70 0.31 0.00 -1.35 3.20 0.20 -2.98 116.97 117.05 1uon h TYR 763 Ca 0.17 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 1uon h TYR 763 Cb 0.13 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.32 1uon h TYR 763 CO 0.01 0.15 -0.15 0.78 -1.64 0.00 0.00 178.16 177.31 1uon h GLY 764 N 0.35 0.00 2.00 1.82 0.00 -1.14 -2.52 103.07 103.58 1uon h GLY 764 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 1uon h GLY 764 CO -0.13 0.00 -0.04 0.83 0.00 0.00 0.00 176.54 177.20 1uon h GLU 765 N 0.00 0.00 0.00 4.80 5.08 -1.52 0.10 114.58 123.05 1uon h GLU 765 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1uon h GLU 765 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1uon h GLU 765 CO 0.02 0.04 0.00 0.93 -1.00 0.00 0.00 179.01 179.00 1uon h GLU 766 N 0.00 0.00 0.00 2.33 5.08 -1.57 -2.29 114.58 118.13 1uon h GLU 766 Ca -0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1uon h GLU 766 Cb 0.13 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 29.16 1uon h GLU 766 CO 0.01 0.00 -0.78 1.97 -1.00 0.00 0.00 179.01 179.20 1uon n PHE 767 N -3.03 0.00 -1.03 4.33 1.16 -0.76 -2.64 117.46 115.48 1uon n PHE 767 Ca 0.00 -0.60 -0.01 0.00 -1.87 0.00 0.00 57.45 54.97 1uon n PHE 767 Cb 0.26 -0.15 -0.00 0.00 -1.61 0.00 0.00 39.48 37.98 1uon n PHE 767 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1uon n GLY 768 N 0.01 0.47 3.38 4.97 0.00 -1.06 -4.85 105.19 108.11 1uon n GLY 768 Ca 0.08 -1.03 -0.35 0.00 0.00 0.00 0.00 46.02 44.72 1uon n GLY 768 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1uon s TRP 769 N -2.04 2.97 -0.52 1.61 0.52 -0.05 -4.58 118.94 116.86 1uon s TRP 769 Ca 0.00 -0.67 -0.16 0.00 0.02 0.00 0.00 56.10 55.29 1uon s TRP 769 Cb 0.00 -2.06 0.12 0.00 -1.15 0.00 0.00 33.47 30.38 1uon s TRP 769 CO 0.00 -0.36 0.47 0.21 0.02 0.00 0.00 176.95 177.29 1uon s LYS 770 N 1.09 2.96 0.09 4.98 2.20 -1.26 -3.33 119.74 126.47 1uon s LYS 770 Ca 0.01 -1.63 -0.31 0.00 -0.36 0.00 0.00 55.97 53.69 1uon s LYS 770 Cb -0.15 -4.24 -0.06 0.00 -1.51 0.00 0.00 37.83 31.87 1uon s LYS 770 CO 0.00 -1.25 1.26 0.71 -0.36 0.00 0.00 175.35 175.71 1uon s TYR 771 N 1.60 3.38 -0.81 4.03 2.02 -1.26 -2.05 117.35 124.26 1uon s TYR 771 Ca 0.03 1.20 -0.11 0.00 -0.37 0.00 0.00 57.07 57.83 1uon s TYR 771 Cb -0.28 -3.50 0.21 0.00 -0.40 0.00 0.00 41.96 37.99 1uon s TYR 771 CO 0.04 -1.60 0.72 0.34 -1.57 0.00 0.00 175.55 173.47 1uon s ASP 772 N 1.01 6.46 0.03 2.29 -1.08 0.75 -4.93 116.67 121.20 1uon s ASP 772 Ca 0.60 -2.81 -0.10 0.00 -0.52 0.00 0.00 52.55 49.72 1uon s ASP 772 Cb -0.32 -2.13 -0.05 0.00 -1.46 0.00 0.00 42.92 38.96 1uon s ASP 772 CO 0.30 -0.50 0.35 -0.63 0.52 0.00 0.00 175.17 175.21 1uon s ILE 773 N -0.02 5.16 -0.06 4.11 1.01 -1.26 -0.60 121.20 129.55 1uon s ILE 773 Ca 0.19 0.45 -0.02 0.00 0.00 0.00 0.00 60.65 61.27 1uon s ILE 773 Cb -0.12 -3.62 0.03 0.00 0.01 0.00 0.00 42.46 38.76 1uon s ILE 773 CO -0.08 0.40 0.04 0.00 0.00 0.00 0.00 174.94 175.31 1uon s ALA 774 N -1.27 0.41 -0.31 9.38 0.00 -1.09 -4.98 121.76 123.90 1uon s ALA 774 Ca 0.28 0.05 0.03 0.00 0.00 0.00 0.00 51.96 52.32 1uon s ALA 774 Cb -0.14 -0.68 0.09 0.00 0.00 0.00 0.00 23.12 22.38 1uon s ALA 774 CO 0.15 -0.51 0.02 -0.47 0.00 0.00 0.00 175.76 174.95 1uon s TYR 775 N 2.10 3.18 0.00 0.00 5.04 -1.26 -1.25 117.35 125.15 1uon s TYR 775 Ca 0.05 -2.53 0.00 0.00 -2.44 0.00 0.00 57.07 52.15 1uon s TYR 775 Cb -0.12 -2.40 0.00 0.00 0.35 0.00 0.00 41.96 39.79 1uon s TYR 775 CO -0.04 -0.90 0.67 -0.40 -1.34 0.00 0.00 175.55 173.54 1uon n ASP 776 N 4.43 0.00 -0.00 4.32 5.68 -1.26 -4.33 116.55 125.39 1uon n ASP 776 Ca -0.02 -1.43 -0.00 0.00 -0.50 0.00 0.00 54.79 52.84 1uon n ASP 776 Cb 0.42 -0.09 -0.00 0.00 -1.14 0.00 0.00 41.12 40.32 1uon n ASP 776 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1uon n GLY 777 N 0.00 0.48 3.46 6.12 0.00 -1.26 -4.74 105.19 109.24 1uon n GLY 777 Ca 0.00 -0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 1uon n GLY 777 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uon s THR 778 N -1.99 1.92 -0.10 2.61 2.01 -1.26 -4.51 115.64 114.32 1uon s THR 778 Ca 0.00 -2.19 0.02 0.00 0.31 0.00 0.00 61.69 59.83 1uon s THR 778 Cb 0.00 -2.44 0.01 0.00 0.01 0.00 0.00 72.50 70.08 1uon s THR 778 CO 0.00 -0.32 -0.16 0.00 -0.69 0.00 0.00 174.62 173.45 1uon s ALA 779 N -2.83 1.71 -0.09 7.40 0.00 0.41 -4.62 121.76 123.74 1uon s ALA 779 Ca 0.30 -0.73 -0.02 0.00 0.00 0.00 0.00 51.96 51.51 1uon s ALA 779 Cb 0.02 -0.79 0.04 0.00 0.00 0.00 0.00 23.12 22.38 1uon s ALA 779 CO 0.13 0.01 0.04 -2.00 0.00 0.00 0.00 175.76 173.93 1uon s GLU 780 N 0.84 0.32 -0.09 0.00 2.12 -1.26 0.11 118.70 120.74 1uon s GLU 780 Ca -0.10 0.10 -0.04 0.00 0.36 0.00 0.00 54.97 55.30 1uon s GLU 780 Cb -0.15 -1.08 0.05 0.00 0.26 0.00 0.00 34.13 33.20 1uon s GLU 780 CO 0.01 -0.40 0.19 -0.47 -0.54 0.00 0.00 175.26 174.05 1uon s TYR 781 N 2.04 -0.25 -1.43 5.30 5.04 -0.89 -4.82 117.35 122.35 1uon s TYR 781 Ca 0.04 0.67 -0.05 0.00 -2.44 0.00 0.00 57.07 55.28 1uon s TYR 781 Cb -0.13 -0.08 0.04 0.00 0.35 0.00 0.00 41.96 42.14 1uon s TYR 781 CO -0.05 -0.23 0.72 1.28 -1.34 0.00 0.00 175.55 175.93 1uon n LEU 782 N 4.60 -2.64 -2.31 6.97 4.77 -1.26 -1.69 117.00 125.44 1uon n LEU 782 Ca -0.19 -0.87 -0.21 0.00 -0.03 0.00 0.00 56.01 54.72 1uon n LEU 782 Cb 0.51 -2.49 -0.02 0.00 -2.33 0.00 0.00 43.42 39.10 1uon n LEU 782 CO 0.12 0.42 -0.26 0.29 -1.33 0.00 0.00 177.39 176.63 1uon n LYS 783 N -4.43 -1.68 -5.00 3.23 4.76 -1.26 -4.97 118.16 108.81 1uon n LYS 783 Ca -0.18 1.02 -0.32 0.00 -2.87 0.00 0.00 58.31 55.96 1uon n LYS 783 Cb 0.62 -5.66 -0.16 0.00 -1.84 0.00 0.00 35.03 28.00 1uon n LYS 783 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1uon s LEU 784 N -5.88 2.42 -0.11 -0.35 2.01 -0.68 -4.93 118.68 111.16 1uon s LEU 784 Ca 0.00 -0.43 -0.01 0.00 0.01 0.00 0.00 54.13 53.70 1uon s LEU 784 Cb 0.00 -1.51 -0.03 0.00 0.01 0.00 0.00 46.19 44.66 1uon s LEU 784 CO 0.00 0.18 -0.05 -0.31 1.01 0.00 0.00 176.35 177.18 1uon s TYR 785 N 0.26 3.00 -0.00 0.29 2.02 -1.26 -2.09 117.35 119.56 1uon s TYR 785 Ca -0.13 -0.11 0.01 0.00 -0.37 0.00 0.00 57.07 56.48 1uon s TYR 785 Cb -0.16 -1.82 -0.00 0.00 -0.40 0.00 0.00 41.96 39.57 1uon s TYR 785 CO 0.07 0.18 -0.05 -0.06 -1.57 0.00 0.00 175.55 174.12 1uon s PHE 786 N -0.32 0.42 -0.09 2.71 0.08 0.12 -0.46 117.98 120.44 1uon s PHE 786 Ca 0.05 -0.08 -0.04 0.00 0.12 0.00 0.00 56.93 56.98 1uon s PHE 786 Cb -0.12 -0.28 0.05 0.00 -0.57 0.00 0.00 43.02 42.10 1uon s PHE 786 CO 0.02 -0.01 0.19 -1.50 -0.10 0.00 0.00 175.22 173.82 1uon s ILE 787 N -0.09 -0.17 -1.56 0.64 2.07 -0.40 -0.45 121.20 121.24 1uon s ILE 787 Ca 0.02 0.24 -0.12 0.00 -1.41 0.00 0.00 60.65 59.38 1uon s ILE 787 Cb -0.02 -0.31 0.09 0.00 0.13 0.00 0.00 42.46 42.35 1uon s ILE 787 CO -0.00 0.10 0.78 0.49 -1.91 0.00 0.00 174.94 174.40 1uon n PHE 788 N 4.73 -1.93 -0.97 3.50 3.01 -0.78 -0.45 117.46 124.57 1uon n PHE 788 Ca -0.16 0.83 0.00 0.00 1.01 0.00 0.00 57.45 59.12 1uon n PHE 788 Cb 0.51 -3.56 0.00 0.00 -0.01 0.00 0.00 39.48 36.42 1uon n PHE 788 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1uon n GLY 789 N -1.63 0.54 3.43 1.37 0.00 -1.09 -4.35 105.19 103.45 1uon n GLY 789 Ca -0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 1uon n GLY 789 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uon s ARG 791 N 0.48 4.69 -0.52 0.00 3.52 -0.09 -1.28 118.95 125.75 1uon s ARG 791 Ca -0.06 1.51 -0.03 0.00 -0.13 0.00 0.00 55.73 57.02 1uon s ARG 791 Cb -0.15 -3.35 0.14 0.00 -1.56 0.00 0.00 34.95 30.02 1uon s ARG 791 CO 0.03 0.20 0.33 0.42 -0.81 0.00 0.00 175.30 175.47 1uon s ILE 792 N -0.10 3.49 0.45 4.11 -1.09 0.39 -0.91 121.20 127.55 1uon s ILE 792 Ca 0.47 -2.55 -0.25 0.00 -2.23 0.00 0.00 60.65 56.10 1uon s ILE 792 Cb -0.25 -3.33 -0.09 0.00 -1.58 0.00 0.00 42.46 37.21 1uon s ILE 792 CO 0.31 -0.79 1.32 -2.65 -1.23 0.00 0.00 174.94 171.90 1uon n PRO 793 N 4.00 1.97 -3.56 2.79 -0.02 -1.26 -4.26 135.00 134.64 1uon n PRO 793 Ca 0.03 0.70 -0.41 0.00 -2.02 0.00 0.00 63.50 61.81 1uon n PRO 793 Cb 0.39 -2.48 -0.08 0.00 -0.02 0.00 0.00 33.50 31.32 1uon n PRO 793 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1uon s ASN 794 N -0.58 5.76 0.55 2.55 3.84 -1.26 -4.81 114.94 120.99 1uon s ASN 794 Ca 0.63 -2.31 0.32 0.00 0.21 0.00 0.00 52.86 51.71 1uon s ASN 794 Cb -0.48 -2.00 1.53 0.00 -0.55 0.00 0.00 41.25 39.76 1uon s ASN 794 CO 0.56 -0.58 2.07 -0.07 -2.79 0.00 0.00 177.10 176.29 1uon h LEU 795 N 7.94 0.00 -1.04 3.21 4.07 -1.87 -3.01 115.31 124.60 1uon h LEU 795 Ca -0.10 0.00 0.04 0.00 0.08 0.00 0.00 57.88 57.90 1uon h LEU 795 Cb 1.03 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.72 1uon h LEU 795 CO 0.80 0.08 0.64 0.28 -1.08 0.00 0.00 178.44 179.16 1uon h SER 796 N 0.00 1.06 0.19 -0.43 0.02 -1.76 -2.25 113.55 110.38 1uon h SER 796 Ca -0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1uon h SER 796 Cb 0.38 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1uon h SER 796 CO 0.01 0.72 -0.00 0.54 -1.14 0.00 0.00 176.83 176.96 1uon n ARG 797 N -4.45 0.81 -2.86 3.45 1.74 -1.14 -4.03 116.66 110.19 1uon n ARG 797 Ca 0.14 -0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.94 1uon n ARG 797 Cb 0.11 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.02 1uon n ARG 797 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1uon n HIS 798 N -1.09 3.91 -1.70 -1.55 8.25 -0.84 -4.97 115.22 117.23 1uon n HIS 798 Ca 0.21 -3.84 -0.57 0.00 -0.26 0.00 0.00 57.72 53.25 1uon n HIS 798 Cb 0.15 -0.42 -0.07 0.00 1.12 0.00 0.00 29.99 30.77 1uon n HIS 798 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1uon n PRO 799 N -0.28 1.12 -0.22 -0.41 -0.02 -1.26 -4.86 135.00 129.07 1uon n PRO 799 Ca 0.32 0.41 -0.08 0.00 -2.02 0.00 0.00 63.50 62.14 1uon n PRO 799 Cb 0.44 -2.08 0.03 0.00 -0.02 0.00 0.00 33.50 31.87 1uon n PRO 799 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1uon h ILE 800 N 4.99 1.25 -0.00 4.25 2.04 -1.94 -3.07 117.51 125.02 1uon h ILE 800 Ca -0.47 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 64.54 1uon h ILE 800 Cb 1.32 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 1uon h ILE 800 CO 0.94 0.33 -0.68 1.33 0.00 0.00 0.00 178.15 180.06 1uon n VAL 801 N -4.37 0.00 -2.74 1.67 0.24 -1.26 -4.91 118.33 106.95 1uon n VAL 801 Ca 0.04 -0.05 -0.33 0.00 -2.04 0.00 0.00 64.34 61.96 1uon n VAL 801 Cb 0.22 0.72 -0.06 0.00 -1.47 0.00 0.00 33.84 33.25 1uon n VAL 801 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1uon s GLY 802 N -2.87 2.31 -0.28 7.63 0.00 -1.16 -0.29 107.32 112.66 1uon s GLY 802 Ca 0.12 0.33 -0.11 0.00 0.00 0.00 0.00 44.72 45.06 1uon s GLY 802 CO 0.73 0.60 0.63 1.25 0.00 0.00 0.00 173.10 176.32 1uon s LYS 803 N -3.37 0.58 0.34 2.90 2.20 -0.38 -4.44 119.74 117.57 1uon s LYS 803 Ca 0.61 1.34 -0.29 0.00 -0.36 0.00 0.00 55.97 57.27 1uon s LYS 803 Cb -0.09 0.61 -0.11 0.00 -1.51 0.00 0.00 37.83 36.73 1uon s LYS 803 CO 0.17 -0.19 1.39 -2.00 -0.36 0.00 0.00 175.35 174.36 1uon s GLU 804 N 2.50 4.26 -0.33 4.03 2.12 -1.26 -3.40 118.70 126.61 1uon s GLU 804 Ca -0.07 2.35 0.01 0.00 0.36 0.00 0.00 54.97 57.63 1uon s GLU 804 Cb -0.10 -3.04 0.15 0.00 0.26 0.00 0.00 34.13 31.39 1uon s GLU 804 CO -0.18 -0.34 0.33 1.03 -0.54 0.00 0.00 175.26 175.55 1uon s ARG 805 N -1.68 0.48 -0.09 4.30 0.52 -1.26 -5.00 118.95 116.21 1uon s ARG 805 Ca 0.52 -0.53 -0.18 0.00 -0.52 0.00 0.00 55.73 55.02 1uon s ARG 805 Cb -0.42 -0.72 -0.14 0.00 0.52 0.00 0.00 34.95 34.19 1uon s ARG 805 CO 0.55 -1.12 0.60 0.00 0.02 0.00 0.00 175.30 175.36 1uon h ALA 806 N 7.65 -0.10 -1.99 2.13 0.00 -1.94 -3.47 119.26 121.53 1uon h ALA 806 Ca -0.04 -0.24 -0.41 0.00 0.00 0.00 0.00 54.91 54.22 1uon h ALA 806 Cb 1.06 0.04 0.19 0.00 0.00 0.00 0.00 17.79 19.09 1uon h ALA 806 CO 0.27 -0.14 0.13 0.54 0.00 0.00 0.00 179.25 180.05 1uon s ASN 807 N -5.69 0.82 0.07 0.00 2.20 -1.26 -5.00 114.94 106.08 1uon s ASN 807 Ca -0.11 0.59 0.22 0.00 -0.94 0.00 0.00 52.86 52.62 1uon s ASN 807 Cb -0.01 -0.81 -0.17 0.00 -2.00 0.00 0.00 41.25 38.26 1uon s ASN 807 CO 0.40 -4.18 0.74 -1.20 -2.94 0.00 0.00 177.10 169.92 1uon n SER 808 N -4.79 0.44 -4.39 3.54 7.64 -1.26 -4.98 113.62 109.82 1uon n SER 808 Ca 0.14 0.17 -0.41 0.00 1.01 0.00 0.00 58.87 59.78 1uon n SER 808 Cb 0.60 1.14 0.01 0.00 -1.01 0.00 0.00 64.21 64.94 1uon n SER 808 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1uon n SER 809 N -2.51 -1.82 -4.78 6.43 3.41 -1.26 -4.92 113.62 108.17 1uon n SER 809 Ca -0.04 0.82 -0.31 0.00 -0.26 0.00 0.00 58.87 59.08 1uon n SER 809 Cb 0.61 -1.03 0.07 0.00 -0.26 0.00 0.00 64.21 63.60 1uon n SER 809 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uon s ALA 810 N -1.64 2.41 0.69 7.33 0.00 -1.26 -5.01 121.76 124.28 1uon s ALA 810 Ca 0.62 0.24 -0.14 0.00 0.00 0.00 0.00 51.96 52.68 1uon s ALA 810 Cb -0.57 -3.25 0.02 0.00 0.00 0.00 0.00 23.12 19.32 1uon s ALA 810 CO 0.60 -1.55 1.12 -1.83 0.00 0.00 0.00 175.76 174.10 1uon s GLU 811 N -4.86 2.56 0.53 0.00 -1.05 -1.26 -4.97 118.70 109.66 1uon s GLU 811 Ca 0.61 1.42 -0.22 0.00 -0.15 0.00 0.00 54.97 56.63 1uon s GLU 811 Cb -0.16 -1.92 -0.05 0.00 -0.44 0.00 0.00 34.13 31.56 1uon s GLU 811 CO 0.54 -1.44 1.34 -1.21 0.95 0.00 0.00 175.26 175.44 1uon s GLU 812 N -4.20 3.23 0.41 -4.83 2.02 -1.26 -4.93 118.70 109.15 1uon s GLU 812 Ca 0.67 2.19 -0.25 0.00 0.02 0.00 0.00 54.97 57.60 1uon s GLU 812 Cb -0.21 -2.29 -0.11 0.00 0.10 0.00 0.00 34.13 31.62 1uon s GLU 812 CO 0.45 -1.10 1.11 -2.30 0.02 0.00 0.00 175.26 173.44 1uon n PRO 813 N -0.94 1.58 0.00 0.39 -0.02 -1.26 -4.76 135.00 130.00 1uon n PRO 813 Ca 0.10 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1uon n PRO 813 Cb 0.45 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1uon n PRO 813 CO 0.00 0.00 0.00 1.87 1.98 0.00 0.00 175.50 179.35 1uon n TRP 814 N -0.31 0.00 -0.01 6.00 -0.00 -1.26 -1.94 117.44 119.92 1uon n TRP 814 Ca 0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 57.50 57.58 1uon n TRP 814 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.70 1uon n TRP 814 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 177.69 175.39 1uon n PRO 815 N -0.09 -0.01 -0.34 5.87 -0.02 -1.26 0.26 135.00 139.41 1uon n PRO 815 Ca 0.00 0.06 0.29 0.00 -2.02 0.00 0.00 63.50 61.82 1uon n PRO 815 Cb 0.00 -0.08 0.54 0.00 -0.02 0.00 0.00 33.50 33.94 1uon n PRO 815 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1uon h ALA 816 N 0.05 2.15 -0.45 3.55 0.00 -1.25 -0.28 119.26 123.03 1uon h ALA 816 Ca 0.01 0.21 0.10 0.00 0.00 0.00 0.00 54.91 55.23 1uon h ALA 816 Cb 0.02 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1uon h ALA 816 CO -0.04 -0.83 0.32 0.97 0.00 0.00 0.00 179.25 179.66 1uon h ILE 817 N 0.17 0.85 -0.94 0.00 6.09 -0.42 -2.36 117.51 120.91 1uon h ILE 817 Ca 0.79 -0.06 -0.00 0.00 -1.37 0.00 0.00 64.86 64.22 1uon h ILE 817 Cb 2.02 0.67 -0.05 0.00 0.47 0.00 0.00 36.82 39.94 1uon h ILE 817 CO -0.64 0.03 0.57 -0.07 -3.07 0.00 0.00 178.15 174.98 1uon h LEU 818 N 0.16 1.11 -1.18 2.19 3.38 -1.23 -0.40 115.31 119.35 1uon h LEU 818 Ca 0.21 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1uon h LEU 818 Cb 0.63 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1uon h LEU 818 CO -0.03 0.85 0.24 0.44 0.09 0.00 0.00 178.44 180.03 1uon h ASP 819 N 1.29 0.74 -0.45 -0.43 3.32 -1.59 0.01 116.42 119.30 1uon h ASP 819 Ca 0.34 -0.08 -0.12 0.00 0.02 0.00 0.00 57.03 57.18 1uon h ASP 819 Cb -0.07 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 1uon h ASP 819 CO -0.07 0.65 -0.17 1.56 -1.72 0.00 0.00 179.24 179.50 1uon h GLN 820 N 0.81 0.95 -0.42 3.56 4.20 -1.35 -0.54 115.11 122.31 1uon h GLN 820 Ca 0.20 -0.37 -0.12 0.00 0.06 0.00 0.00 58.65 58.42 1uon h GLN 820 Cb 0.13 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1uon h GLN 820 CO -0.02 1.03 -0.20 0.82 -0.67 0.00 0.00 178.83 179.79 1uon h ILE 821 N 0.83 1.27 -0.42 2.54 1.08 -0.49 -1.04 117.51 121.29 1uon h ILE 821 Ca 0.12 -1.32 -0.09 0.00 -0.39 0.00 0.00 64.86 63.17 1uon h ILE 821 Cb 0.72 1.17 -0.02 0.00 -3.07 0.00 0.00 36.82 35.62 1uon h ILE 821 CO 0.06 0.45 -0.12 0.24 -0.69 0.00 0.00 178.15 178.08 1uon h MET 822 N 0.72 0.75 -0.36 2.37 2.86 -0.74 -1.42 114.93 119.11 1uon h MET 822 Ca 0.10 -0.25 -0.06 0.00 -2.06 0.00 0.00 59.70 57.44 1uon h MET 822 Cb 0.73 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.31 1uon h MET 822 CO 0.06 0.84 -0.02 0.78 1.06 0.00 0.00 176.91 179.63 1uon h GLY 823 N 0.97 0.61 1.21 8.32 0.00 -0.68 0.45 103.07 113.96 1uon h GLY 823 Ca 0.11 -0.38 -0.10 0.00 0.00 0.00 0.00 47.33 46.97 1uon h GLY 823 CO 0.04 0.35 -0.07 -2.08 0.00 0.00 0.00 176.54 174.78 1uon h VAL 824 N 0.54 1.26 -0.01 4.60 2.07 -0.61 -0.89 116.25 123.22 1uon h VAL 824 Ca 0.11 -1.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.45 1uon h VAL 824 Cb 0.37 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1uon h VAL 824 CO 0.01 0.42 0.00 0.15 0.02 0.00 0.00 177.57 178.17 1uon h PHE 825 N 0.85 0.02 -0.30 1.57 3.57 -0.38 -2.83 116.94 119.43 1uon h PHE 825 Ca 0.14 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1uon h PHE 825 Cb 0.59 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 1uon h PHE 825 CO 0.04 0.29 0.20 0.74 -2.23 0.00 0.00 178.31 177.34 1uon h PHE 826 N -0.26 0.38 -0.69 0.41 0.04 -0.79 -1.42 116.94 114.62 1uon h PHE 826 Ca 0.00 0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.71 1uon h PHE 826 Cb 0.28 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.27 1uon h PHE 826 CO 0.02 0.24 0.13 -0.91 -0.60 0.00 0.00 178.31 177.19 1uon h ASN 827 N 0.41 1.07 -0.23 2.17 2.35 -1.08 -1.88 115.58 118.39 1uon h ASN 827 Ca 0.11 -0.25 -0.03 0.00 -0.55 0.00 0.00 56.30 55.58 1uon h ASN 827 Cb -0.05 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.02 1uon h ASN 827 CO -0.02 1.05 0.06 1.23 -1.65 0.00 0.00 177.43 178.09 1uon h GLY 828 N 1.05 0.50 1.21 2.83 0.00 -1.02 0.38 103.07 108.01 1uon h GLY 828 Ca 0.21 -0.26 -0.15 0.00 0.00 0.00 0.00 47.33 47.14 1uon h GLY 828 CO 0.01 0.24 -0.34 -2.08 0.00 0.00 0.00 176.54 174.38 1uon h VAL 829 N 0.45 1.27 0.00 4.60 2.07 -0.99 -1.07 116.25 122.59 1uon h VAL 829 Ca 0.11 -1.50 -0.12 0.00 0.82 0.00 0.00 66.70 66.00 1uon h VAL 829 Cb 0.21 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1uon h VAL 829 CO -0.00 0.50 -0.58 0.45 0.02 0.00 0.00 177.57 177.97 1uon h HIS 830 N 0.73 0.00 -0.00 1.57 -0.00 -0.67 -3.10 115.15 113.68 1uon h HIS 830 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.44 1uon h HIS 830 Cb 0.91 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.32 1uon h HIS 830 CO 0.05 0.58 -0.19 -0.25 -0.00 0.00 0.00 177.93 178.12 1uon n ASP 831 N -3.33 0.62 -2.46 2.45 8.00 0.13 -4.97 116.55 116.98 1uon n ASP 831 Ca 0.01 -0.58 -0.14 0.00 0.71 0.00 0.00 54.79 54.79 1uon n ASP 831 Cb 0.73 -0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.87 1uon n ASP 831 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1uon n GLY 832 N 1.33 -0.01 3.60 0.44 0.00 -0.49 -4.84 105.19 105.23 1uon n GLY 832 Ca 0.12 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1uon n GLY 832 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uon s LEU 833 N -4.91 0.88 -0.43 0.99 1.43 -0.71 -4.46 118.68 111.47 1uon s LEU 833 Ca 0.28 0.82 -0.28 0.00 -1.03 0.00 0.00 54.13 53.92 1uon s LEU 833 Cb -0.12 -2.67 -0.02 0.00 0.03 0.00 0.00 46.19 43.41 1uon s LEU 833 CO 0.46 -3.90 1.81 -1.10 0.23 0.00 0.00 176.35 173.85 1uon s GLN 834 N -5.24 3.09 0.23 1.70 -1.52 -0.30 -4.88 119.66 112.73 1uon s GLN 834 Ca 0.69 1.13 -0.16 0.00 -1.95 0.00 0.00 55.36 55.07 1uon s GLN 834 Cb -0.13 -4.26 0.25 0.00 -0.22 0.00 0.00 33.01 28.66 1uon s GLN 834 CO 0.57 -2.16 1.57 0.11 -0.25 0.00 0.00 175.29 175.12 1uon h TRP 835 N 13.59 -0.90 0.35 0.91 5.08 -1.89 0.45 115.95 133.55 1uon h TRP 835 Ca -0.30 0.09 -0.02 0.00 1.08 0.00 0.00 58.89 59.74 1uon h TRP 835 Cb 1.16 0.52 0.00 0.00 -3.00 0.00 0.00 29.16 27.85 1uon h TRP 835 CO 0.99 -0.40 -0.17 1.96 -1.28 0.00 0.00 178.44 179.54 1uon h GLN 836 N -0.04 -0.46 -0.80 0.12 4.20 -1.96 0.14 115.11 116.31 1uon h GLN 836 Ca 0.34 0.03 0.11 0.00 0.06 0.00 0.00 58.65 59.20 1uon h GLN 836 Cb 0.60 0.10 -0.08 0.00 0.30 0.00 0.00 27.48 28.41 1uon h GLN 836 CO -0.90 -0.21 0.42 0.00 -0.67 0.00 0.00 178.83 177.47 1uon h ARG 837 N -0.63 0.65 -0.37 1.46 2.47 -1.74 0.00 114.38 116.22 1uon h ARG 837 Ca -0.05 -0.04 -0.06 0.00 -1.26 0.00 0.00 59.98 58.57 1uon h ARG 837 Cb 0.46 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.62 1uon h ARG 837 CO 0.08 0.43 -0.01 2.35 0.56 0.00 0.00 179.97 183.38 1uon h TRP 838 N 0.67 0.72 -0.33 3.04 -0.00 -0.75 -1.63 115.95 117.68 1uon h TRP 838 Ca 0.41 -0.13 -0.03 0.00 -0.00 0.00 0.00 58.89 59.14 1uon h TRP 838 Cb 0.47 -0.19 -0.01 0.00 -0.00 0.00 0.00 29.16 29.43 1uon h TRP 838 CO -0.09 0.76 0.09 0.82 -0.00 0.00 0.00 178.44 180.02 1uon h ILE 839 N 0.48 1.21 -0.30 2.65 2.04 -0.08 -0.58 117.51 122.94 1uon h ILE 839 Ca 0.10 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 1uon h ILE 839 Cb 0.48 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1uon h ILE 839 CO 0.02 0.24 0.16 -0.09 0.00 0.00 0.00 178.15 178.49 1uon h ARG 840 N 0.38 0.41 -0.77 2.37 2.43 -0.99 -1.70 114.38 116.51 1uon h ARG 840 Ca 0.11 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1uon h ARG 840 Cb 0.28 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.71 1uon h ARG 840 CO -0.00 0.35 0.50 -0.92 -1.51 0.00 0.00 179.97 178.39 1uon h TYR 841 N 0.36 0.99 -0.49 2.20 3.20 -1.19 -2.12 116.97 119.92 1uon h TYR 841 Ca 0.10 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 1uon h TYR 841 Cb 0.06 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 37.97 1uon h TYR 841 CO -0.03 0.64 0.27 0.77 -1.64 0.00 0.00 178.16 178.16 1uon h SER 842 N 1.05 0.60 -0.33 -2.11 0.02 -0.73 0.13 113.55 112.18 1uon h SER 842 Ca 0.28 -0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 61.08 1uon h SER 842 Cb -0.09 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 1uon h SER 842 CO -0.06 0.49 -0.21 -0.50 -1.14 0.00 0.00 176.83 175.41 1uon h TRP 843 N 0.68 0.91 -0.11 3.45 4.06 -0.74 0.93 115.95 125.14 1uon h TRP 843 Ca 0.18 -0.21 -0.02 0.00 2.06 0.00 0.00 58.89 60.90 1uon h TRP 843 Cb 0.02 -0.22 -0.00 0.00 -1.00 0.00 0.00 29.16 27.96 1uon h TRP 843 CO 0.00 0.94 -0.00 0.00 -3.56 0.00 0.00 178.44 175.82 1uon h ALA 844 N 1.05 0.14 0.09 1.49 0.00 -0.62 -0.55 119.26 120.87 1uon h ALA 844 Ca 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1uon h ALA 844 Cb 0.73 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1uon h ALA 844 CO 0.06 -0.16 -0.07 1.25 0.00 0.00 0.00 179.25 180.32 1uon h LEU 845 N -0.09 -0.19 -0.29 0.00 6.46 -0.69 -0.55 115.31 119.95 1uon h LEU 845 Ca 0.03 0.02 0.05 0.00 -0.12 0.00 0.00 57.88 57.85 1uon h LEU 845 Cb 0.37 0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.32 1uon h LEU 845 CO 0.01 -0.12 0.03 0.00 -0.62 0.00 0.00 178.44 177.73 1uon n ALA 848 N -2.36 2.13 -0.55 0.00 0.00 -0.23 -2.45 120.51 117.05 1uon n ALA 848 Ca 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1uon n ALA 848 Cb 0.24 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.41 1uon n ALA 848 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1uon n PHE 849 N -1.02 0.00 1.74 0.00 3.72 -0.49 -4.82 117.46 116.60 1uon n PHE 849 Ca 0.13 -0.04 0.15 0.00 -0.05 0.00 0.00 57.45 57.63 1uon n PHE 849 Cb 0.07 -0.00 0.84 0.00 -0.94 0.00 0.00 39.48 39.44 1uon n PHE 849 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1uon n SER 850 N -0.04 0.00 -4.02 4.37 3.41 -0.44 -4.81 113.62 112.08 1uon n SER 850 Ca 0.00 -0.77 -0.21 0.00 -0.26 0.00 0.00 58.87 57.64 1uon n SER 850 Cb 0.19 -0.05 -0.15 0.00 -0.26 0.00 0.00 64.21 63.93 1uon n SER 850 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1uon s ARG 851 N -2.11 1.01 -0.00 4.33 3.52 -1.26 -1.29 118.95 123.16 1uon s ARG 851 Ca 0.41 -0.34 0.00 0.00 -0.13 0.00 0.00 55.73 55.67 1uon s ARG 851 Cb 0.20 -0.94 -0.00 0.00 -1.56 0.00 0.00 34.95 32.65 1uon s ARG 851 CO 0.36 0.15 -0.01 -1.14 -0.81 0.00 0.00 175.30 173.84 1uon s GLN 852 N 0.09 0.11 -0.01 5.12 2.00 -0.18 -4.99 119.66 121.81 1uon s GLN 852 Ca -0.02 -0.06 -0.30 0.00 -2.00 0.00 0.00 55.36 52.98 1uon s GLN 852 Cb -0.08 -0.10 -0.03 0.00 0.80 0.00 0.00 33.01 33.60 1uon s GLN 852 CO 0.00 0.03 1.08 0.50 -0.50 0.00 0.00 175.29 176.40 1uon s ARG 853 N -0.06 4.47 0.15 1.67 3.52 -1.26 -0.48 118.95 126.96 1uon s ARG 853 Ca 0.00 1.55 0.09 0.00 -0.13 0.00 0.00 55.73 57.24 1uon s ARG 853 Cb -0.01 -3.46 -0.04 0.00 -1.56 0.00 0.00 34.95 29.88 1uon s ARG 853 CO -0.00 -0.22 -0.16 0.95 -0.81 0.00 0.00 175.30 175.07 1uon s THR 854 N 1.41 2.91 -0.02 4.11 -4.23 -0.94 -4.92 115.64 113.96 1uon s THR 854 Ca 0.54 -1.64 0.04 0.00 -1.18 0.00 0.00 61.69 59.45 1uon s THR 854 Cb -0.23 -2.39 -0.01 0.00 1.34 0.00 0.00 72.50 71.21 1uon s THR 854 CO 0.25 -0.01 -0.16 -0.04 -0.54 0.00 0.00 174.62 174.12 1uon s MET 855 N -2.49 1.38 -0.00 3.99 -1.94 -1.26 -2.44 119.30 116.54 1uon s MET 855 Ca 0.21 -0.55 0.01 0.00 -1.71 0.00 0.00 55.69 53.65 1uon s MET 855 Cb -0.09 -1.29 0.01 0.00 2.01 0.00 0.00 34.83 35.47 1uon s MET 855 CO 0.12 0.29 0.68 -0.89 -0.01 0.00 0.00 175.02 175.21 1uon n ILE 856 N 2.87 0.23 0.00 2.53 2.08 -1.20 -4.93 119.36 120.95 1uon n ILE 856 Ca -0.16 -0.25 0.00 0.00 0.56 0.00 0.00 62.75 62.90 1uon n ILE 856 Cb 0.54 0.80 0.00 0.00 -0.75 0.00 0.00 39.64 40.23 1uon n ILE 856 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1uon n GLY 857 N -0.14 0.75 3.71 7.39 0.00 -1.26 -4.55 105.19 111.09 1uon n GLY 857 Ca 0.01 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1uon n GLY 857 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1uon n GLU 858 N 0.00 0.00 -1.81 1.61 2.13 -1.26 -4.85 120.64 116.46 1uon n GLU 858 Ca 0.00 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.41 1uon n GLU 858 Cb 0.00 -3.30 -0.00 0.00 0.27 0.00 0.00 31.44 28.40 1uon n GLU 858 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1uon n SER 859 N 0.00 5.40 -4.55 4.31 7.64 -1.26 -4.92 113.62 120.24 1uon n SER 859 Ca 0.00 -2.88 -0.40 0.00 1.01 0.00 0.00 58.87 56.61 1uon n SER 859 Cb 0.00 -1.58 -0.03 0.00 -1.01 0.00 0.00 64.21 61.59 1uon n SER 859 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1uon s VAL 860 N 2.02 3.53 0.00 0.44 1.01 -1.26 -3.26 120.40 122.87 1uon s VAL 860 Ca 0.50 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.77 1uon s VAL 860 Cb 0.14 -4.40 0.00 0.00 0.00 0.00 0.00 36.38 32.12 1uon s VAL 860 CO -0.06 -1.36 0.00 0.61 0.00 0.00 0.00 175.10 174.29 1uon n GLY 861 N 5.56 5.28 2.95 4.51 0.00 -1.02 -4.99 105.19 117.48 1uon n GLY 861 Ca 0.12 -2.13 -0.13 0.00 0.00 0.00 0.00 46.02 43.89 1uon n GLY 861 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1uon s TYR 862 N 0.05 -0.14 -0.22 1.61 2.02 -1.26 -2.20 117.35 117.20 1uon s TYR 862 Ca 0.00 0.39 -0.16 0.00 -0.37 0.00 0.00 57.07 56.93 1uon s TYR 862 Cb 0.00 -0.03 -0.04 0.00 -0.40 0.00 0.00 41.96 41.50 1uon s TYR 862 CO 0.00 -0.11 0.39 -0.51 -1.57 0.00 0.00 175.55 173.75 1uon s LEU 863 N 0.62 4.12 -0.07 -1.29 1.43 0.37 -4.95 118.68 118.91 1uon s LEU 863 Ca -0.05 0.46 0.01 0.00 -1.03 0.00 0.00 54.13 53.52 1uon s LEU 863 Cb -0.06 -2.49 0.02 0.00 0.03 0.00 0.00 46.19 43.68 1uon s LEU 863 CO -0.03 -0.11 -0.08 -1.58 0.23 0.00 0.00 176.35 174.78 1uon s GLN 864 N 1.53 1.38 -0.18 1.70 2.00 -1.26 -1.01 119.66 123.83 1uon s GLN 864 Ca 0.18 -0.27 -0.16 0.00 -2.00 0.00 0.00 55.36 53.11 1uon s GLN 864 Cb -0.15 -1.29 -0.04 0.00 0.80 0.00 0.00 33.01 32.33 1uon s GLN 864 CO 0.08 -0.09 0.41 0.71 -0.50 0.00 0.00 175.29 175.90 1uon s TYR 865 N 1.07 3.41 0.81 1.67 2.02 -0.41 -5.04 117.35 120.89 1uon s TYR 865 Ca -0.08 0.68 -0.11 0.00 -0.37 0.00 0.00 57.07 57.19 1uon s TYR 865 Cb -0.14 -2.51 0.09 0.00 -0.40 0.00 0.00 41.96 38.99 1uon s TYR 865 CO -0.01 0.06 1.13 -2.14 -1.57 0.00 0.00 175.55 173.01 1uon s PRO 866 N 1.07 1.81 0.40 -1.71 0.02 -1.26 -4.88 135.00 130.44 1uon s PRO 866 Ca 0.20 1.39 0.10 0.00 0.02 0.00 0.00 61.00 62.71 1uon s PRO 866 Cb -0.15 -1.83 0.90 0.00 0.02 0.00 0.00 34.50 33.44 1uon s PRO 866 CO 0.08 -2.02 1.98 0.00 -0.33 0.00 0.00 177.00 176.71 1uon h MET 867 N -1.25 0.54 -0.01 5.54 -0.00 -1.91 -1.71 114.93 116.12 1uon h MET 867 Ca -0.44 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.23 1uon h MET 867 Cb 1.25 -0.12 -0.00 0.00 -0.00 0.00 0.00 31.60 32.73 1uon h MET 867 CO 0.48 0.36 0.08 -1.49 -0.00 0.00 0.00 176.91 176.33 1uon h TRP 868 N 0.56 0.00 -0.20 -0.10 4.06 -1.90 -1.53 115.95 116.84 1uon h TRP 868 Ca 0.27 0.00 -0.16 0.00 2.06 0.00 0.00 58.89 61.06 1uon h TRP 868 Cb 0.35 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.50 1uon h TRP 868 CO -0.00 0.00 -0.55 0.77 -3.56 0.00 0.00 178.44 175.10 1uon h SER 869 N 0.00 0.65 -0.12 -3.49 0.02 -1.44 -2.31 113.55 106.86 1uon h SER 869 Ca 0.01 -0.35 -0.12 0.00 -0.84 0.00 0.00 61.79 60.49 1uon h SER 869 Cb 0.16 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1uon h SER 869 CO -0.00 1.07 -0.31 -0.26 -1.14 0.00 0.00 176.83 176.20 1uon h PHE 870 N 0.45 0.69 -0.11 3.45 0.04 -1.43 -1.09 116.94 118.95 1uon h PHE 870 Ca 0.01 -0.17 -0.00 0.00 2.80 0.00 0.00 57.97 60.61 1uon h PHE 870 Cb 1.10 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 39.08 1uon h PHE 870 CO 0.05 0.84 0.06 0.28 -0.60 0.00 0.00 178.31 178.94 1uon h VAL 871 N 0.52 1.08 -0.95 -0.55 2.07 -1.42 0.31 116.25 117.30 1uon h VAL 871 Ca 0.06 -0.22 0.14 0.00 0.82 0.00 0.00 66.70 67.51 1uon h VAL 871 Cb 0.79 1.02 -0.09 0.00 -1.52 0.00 0.00 31.29 31.48 1uon h VAL 871 CO 0.06 0.07 0.57 0.22 0.02 0.00 0.00 177.57 178.51 1uon h TYR 872 N 0.10 1.02 0.00 1.57 3.20 -1.06 0.12 116.97 121.91 1uon h TYR 872 Ca 0.04 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1uon h TYR 872 Cb 0.06 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.02 1uon h TYR 872 CO -0.05 0.32 0.00 0.91 -1.64 0.00 0.00 178.16 177.70 1uon n TRP 873 N -4.73 0.57 0.00 -3.82 8.01 -0.44 -1.00 117.44 116.03 1uon n TRP 873 Ca 0.19 0.21 0.00 0.00 -1.31 0.00 0.00 57.50 56.59 1uon n TRP 873 Cb 0.43 -0.84 0.00 0.00 -2.01 0.00 0.00 31.31 28.89 1uon n TRP 873 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1uon n GLY 874 N 0.32 0.77 3.62 6.99 0.00 0.40 -4.84 105.19 112.46 1uon n GLY 874 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1uon n GLY 874 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1uon s LEU 875 N 0.00 3.92 0.40 0.99 2.96 -0.01 -4.83 118.68 122.10 1uon s LEU 875 Ca 0.00 0.81 -0.26 0.00 -0.22 0.00 0.00 54.13 54.46 1uon s LEU 875 Cb 0.00 -3.43 -0.09 0.00 0.50 0.00 0.00 46.19 43.17 1uon s LEU 875 CO 0.00 -0.91 1.24 -2.16 -1.32 0.00 0.00 176.35 173.20 1uon s PRO 876 N 3.67 4.03 0.49 0.98 0.04 -1.26 -3.79 135.00 139.17 1uon s PRO 876 Ca 0.43 2.01 -0.22 0.00 0.04 0.00 0.00 61.00 63.27 1uon s PRO 876 Cb -0.11 -2.75 -0.07 0.00 0.04 0.00 0.00 34.50 31.61 1uon s PRO 876 CO 0.18 -0.39 1.16 -0.51 0.04 0.00 0.00 177.00 177.48 1uon s LEU 877 N -2.41 3.91 -0.17 -3.56 1.43 -1.26 -4.97 118.68 111.66 1uon s LEU 877 Ca 0.56 2.28 -0.14 0.00 -1.03 0.00 0.00 54.13 55.80 1uon s LEU 877 Cb -0.35 -4.37 -0.23 0.00 0.03 0.00 0.00 46.19 41.28 1uon s LEU 877 CO 0.44 -1.05 0.29 0.52 0.23 0.00 0.00 176.35 176.78 1uon n VAL 878 N -0.80 1.66 -3.62 -1.59 0.31 -1.26 -4.32 118.33 108.71 1uon n VAL 878 Ca 0.09 -0.33 -0.03 0.00 -0.01 0.00 0.00 64.34 64.05 1uon n VAL 878 Cb 0.49 -1.90 -0.06 0.00 -0.91 0.00 0.00 33.84 31.46 1uon n VAL 878 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1uon s LYS 879 N -2.46 0.48 0.06 5.55 2.20 -1.26 -0.25 119.74 124.06 1uon s LYS 879 Ca -0.26 0.89 -0.14 0.00 -0.36 0.00 0.00 55.97 56.11 1uon s LYS 879 Cb 0.06 0.20 0.02 0.00 -1.51 0.00 0.00 37.83 36.60 1uon s LYS 879 CO 0.68 -0.11 0.31 0.00 -0.36 0.00 0.00 175.35 175.86 1uon s ALA 880 N 1.67 -0.67 -1.29 3.13 0.00 -1.26 -0.43 121.76 122.92 1uon s ALA 880 Ca -0.08 -0.08 -0.04 0.00 0.00 0.00 0.00 51.96 51.75 1uon s ALA 880 Cb -0.05 0.40 0.03 0.00 0.00 0.00 0.00 23.12 23.50 1uon s ALA 880 CO -0.17 -0.47 0.28 1.19 0.00 0.00 0.00 175.76 176.60 1uon n PHE 881 N 0.35 -1.62 -1.14 0.00 3.72 -1.26 -1.38 117.46 116.13 1uon n PHE 881 Ca -0.18 0.26 -0.04 0.00 -0.05 0.00 0.00 57.45 57.45 1uon n PHE 881 Cb 0.61 -3.26 -0.01 0.00 -0.94 0.00 0.00 39.48 35.88 1uon n PHE 881 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1uon n GLY 882 N -1.08 0.64 3.94 1.37 0.00 -1.26 -4.59 105.19 104.20 1uon n GLY 882 Ca -0.10 -0.91 -0.27 0.00 0.00 0.00 0.00 46.02 44.74 1uon n GLY 882 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uon s SER 883 N -2.96 4.10 0.69 1.61 1.04 -0.48 -5.05 113.70 112.65 1uon s SER 883 Ca 0.00 0.30 -0.11 0.00 0.48 0.00 0.00 55.95 56.62 1uon s SER 883 Cb 0.00 -0.67 0.01 0.00 0.10 0.00 0.00 66.02 65.46 1uon s SER 883 CO 0.00 -2.09 1.06 -1.81 0.98 0.00 0.00 173.24 171.38 1uon s ASP 884 N -4.69 5.38 0.42 7.02 1.01 -1.26 -4.70 116.67 119.85 1uon s ASP 884 Ca 0.66 1.64 -0.17 0.00 0.71 0.00 0.00 52.55 55.39 1uon s ASP 884 Cb -0.07 -2.50 -0.09 0.00 1.01 0.00 0.00 42.92 41.27 1uon s ASP 884 CO 0.48 -1.44 0.89 -2.16 0.21 0.00 0.00 175.17 173.14 1uon s PRO 885 N -4.97 4.04 -1.47 8.23 0.04 -1.26 -4.21 135.00 135.40 1uon s PRO 885 Ca 0.58 0.89 -0.08 0.00 0.04 0.00 0.00 61.00 62.43 1uon s PRO 885 Cb -0.14 -2.25 0.03 0.00 0.04 0.00 0.00 34.50 32.17 1uon s PRO 885 CO 0.54 -0.05 0.76 0.91 0.04 0.00 0.00 177.00 179.19 1uon n TRP 886 N -0.91 -2.17 0.79 0.56 7.02 0.65 -4.86 117.44 118.51 1uon n TRP 886 Ca 0.05 0.67 0.12 0.00 -1.02 0.00 0.00 57.50 57.33 1uon n TRP 886 Cb 0.54 -4.25 0.30 0.00 -2.42 0.00 0.00 31.31 25.49 1uon n TRP 886 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 1uon n ILE 887 N -4.54 0.22 -3.84 -0.99 -5.35 -1.26 -4.69 119.36 98.92 1uon n ILE 887 Ca -0.05 -0.14 -0.35 0.00 -0.27 0.00 0.00 62.75 61.94 1uon n ILE 887 Cb 0.58 -0.14 -0.09 0.00 -1.74 0.00 0.00 39.64 38.25 1uon n ILE 887 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1uon s PHE 888 N -3.08 3.29 0.38 4.28 0.08 -1.26 -0.36 117.98 121.32 1uon s PHE 888 Ca 0.10 0.14 -0.07 0.00 0.12 0.00 0.00 56.93 57.22 1uon s PHE 888 Cb 0.15 -2.16 -0.05 0.00 -0.57 0.00 0.00 43.02 40.40 1uon s PHE 888 CO 0.66 0.13 0.69 0.45 -0.10 0.00 0.00 175.22 177.05 1uon s SER 889 N 0.63 6.42 0.00 1.36 0.15 0.30 -4.76 113.70 117.80 1uon s SER 889 Ca 0.06 0.90 0.20 0.00 0.70 0.00 0.00 55.95 57.81 1uon s SER 889 Cb -0.13 -2.23 1.18 0.00 -1.71 0.00 0.00 66.02 63.14 1uon s SER 889 CO 0.01 -0.37 1.59 -2.67 1.20 0.00 0.00 173.24 173.00 1uon n TRP 890 N -1.43 0.00 0.89 3.44 2.14 -1.26 -1.98 117.44 119.23 1uon n TRP 890 Ca 0.00 0.00 0.05 0.00 2.07 0.00 0.00 57.50 59.62 1uon n TRP 890 Cb 0.54 -0.03 0.15 0.00 -0.81 0.00 0.00 31.31 31.17 1uon n TRP 890 CO 0.00 0.00 0.00 0.66 2.07 0.00 0.00 177.69 180.42 1uon n TYR 891 N -1.03 0.48 -1.77 -2.67 4.01 -1.26 -4.87 117.16 110.05 1uon n TYR 891 Ca 0.15 -0.23 -0.42 0.00 -0.16 0.00 0.00 57.90 57.24 1uon n TYR 891 Cb 0.08 -0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 39.06 1uon n TYR 891 CO 0.00 0.00 0.00 1.41 -0.46 0.00 0.00 176.86 177.81 1uon s MET 892 N -1.57 4.14 1.35 -0.72 -2.45 -0.84 -4.46 119.30 114.75 1uon s MET 892 Ca 0.22 2.57 -0.20 0.00 -1.25 0.00 0.00 55.69 57.03 1uon s MET 892 Cb 0.12 -3.07 0.33 0.00 1.25 0.00 0.00 34.83 33.47 1uon s MET 892 CO 0.15 -0.69 0.82 -2.30 1.05 0.00 0.00 175.02 174.04 1uon n PRO 893 N 3.38 -3.93 -3.68 4.11 -0.02 -1.26 -4.92 135.00 128.68 1uon n PRO 893 Ca 0.13 -1.15 -0.20 0.00 -2.02 0.00 0.00 63.50 60.26 1uon n PRO 893 Cb 0.36 -1.93 -0.02 0.00 -0.02 0.00 0.00 33.50 31.90 1uon n PRO 893 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1uon s THR 894 N -2.18 4.15 0.00 3.45 -1.32 -1.26 -4.05 115.64 114.43 1uon s THR 894 Ca 0.64 -1.12 0.00 0.00 -1.21 0.00 0.00 61.69 60.00 1uon s THR 894 Cb -0.15 -3.42 0.00 0.00 -1.51 0.00 0.00 72.50 67.42 1uon s THR 894 CO 0.57 -0.20 0.00 0.61 -2.21 0.00 0.00 174.62 173.39 1uon n GLY 895 N -1.51 0.96 0.32 6.08 0.00 -0.17 -2.37 105.19 108.50 1uon n GLY 895 Ca -0.02 -0.60 0.09 0.00 0.00 0.00 0.00 46.02 45.49 1uon n GLY 895 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1uon h ASP 896 N 5.34 0.59 -0.71 1.61 3.32 -1.96 0.11 116.42 124.72 1uon h ASP 896 Ca 0.00 0.10 0.02 0.00 0.02 0.00 0.00 57.03 57.17 1uon h ASP 896 Cb 0.00 -0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 1uon h ASP 896 CO 0.00 0.23 0.46 0.25 -1.72 0.00 0.00 179.24 178.45 1uon h LEU 897 N 0.65 0.77 -0.46 1.55 5.85 -1.93 0.11 115.31 121.87 1uon h LEU 897 Ca 0.50 -0.01 -0.16 0.00 0.84 0.00 0.00 57.88 59.05 1uon h LEU 897 Cb 0.74 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1uon h LEU 897 CO -0.38 0.55 -0.41 1.23 -0.34 0.00 0.00 178.44 179.08 1uon h GLY 898 N 0.91 0.90 1.02 3.75 0.00 -0.82 -1.49 103.07 107.35 1uon h GLY 898 Ca 0.27 -0.94 -0.03 0.00 0.00 0.00 0.00 47.33 46.63 1uon h GLY 898 CO -0.08 0.85 0.32 -0.33 0.00 0.00 0.00 176.54 177.30 1uon h MET 899 N 0.67 1.04 -0.17 4.80 2.86 -0.31 -1.98 114.93 121.84 1uon h MET 899 Ca 0.05 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1uon h MET 899 Cb 0.99 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.46 1uon h MET 899 CO 0.09 0.83 0.09 -0.92 1.06 0.00 0.00 176.91 178.07 1uon h TYR 900 N 1.00 0.24 0.46 -0.22 3.20 -0.67 -2.04 116.97 118.94 1uon h TYR 900 Ca 0.24 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 1uon h TYR 900 Cb 0.15 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 1uon h TYR 900 CO 0.01 0.23 -0.41 0.77 -1.64 0.00 0.00 178.16 177.12 1uon h SER 901 N 0.18 -1.08 0.14 -2.11 0.02 -0.86 0.05 113.55 109.88 1uon h SER 901 Ca 0.06 0.09 -0.09 0.00 -0.84 0.00 0.00 61.79 61.01 1uon h SER 901 Cb 0.07 0.35 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 1uon h SER 901 CO -0.01 -0.57 -0.31 4.11 -1.14 0.00 0.00 176.83 178.91 1uon h TRP 902 N -0.87 0.30 -0.30 3.45 5.08 -1.42 -2.33 115.95 119.87 1uon h TRP 902 Ca -0.05 -0.07 -0.14 0.00 1.08 0.00 0.00 58.89 59.72 1uon h TRP 902 Cb 0.75 -0.07 -0.01 0.00 -3.00 0.00 0.00 29.16 26.83 1uon h TRP 902 CO -0.19 0.56 -0.37 0.82 -1.28 0.00 0.00 178.44 177.97 1uon h ILE 903 N 0.24 1.29 -0.04 0.12 2.04 -1.20 -3.10 117.51 116.86 1uon h ILE 903 Ca 0.03 -1.53 -0.14 0.00 1.00 0.00 0.00 64.86 64.22 1uon h ILE 903 Cb 0.67 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 1uon h ILE 903 CO 0.05 0.49 -0.59 0.28 0.00 0.00 0.00 178.15 178.38 1uon h SER 904 N 0.57 0.16 0.58 1.72 0.02 -0.79 0.60 113.55 116.42 1uon h SER 904 Ca 0.05 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1uon h SER 904 Cb 0.90 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.39 1uon h SER 904 CO 0.08 0.71 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.40 1uon h LEU 905 N 0.11 0.00 -2.48 5.07 3.38 -1.34 -3.15 115.31 116.89 1uon h LEU 905 Ca -0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1uon h LEU 905 Cb 1.07 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.72 1uon h LEU 905 CO 0.09 0.01 -0.56 2.30 0.09 0.00 0.00 178.44 180.36 1uon n ILE 906 N -3.12 0.46 -0.34 1.22 -5.35 -1.12 -4.91 119.36 106.20 1uon n ILE 906 Ca -0.01 -0.85 -0.04 0.00 -0.27 0.00 0.00 62.75 61.58 1uon n ILE 906 Cb 0.21 0.46 0.00 0.00 -1.74 0.00 0.00 39.64 38.57 1uon n ILE 906 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 1uon h ARG 907 N 0.33 -0.06 -0.34 6.28 2.43 -0.84 0.10 114.38 122.28 1uon h ARG 907 Ca -0.06 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1uon h ARG 907 Cb 1.44 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.97 1uon h ARG 907 CO 0.03 -0.04 0.20 -1.35 -1.51 0.00 0.00 179.97 177.30 1uon h PRO 908 N -0.06 0.40 -0.63 0.20 0.11 -1.87 -0.43 132.00 129.71 1uon h PRO 908 Ca 0.28 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 66.43 1uon h PRO 908 Cb 0.56 -0.09 -0.06 0.00 0.11 0.00 0.00 31.00 31.52 1uon h PRO 908 CO -0.89 0.26 0.31 1.25 -0.21 0.00 0.00 178.00 178.72 1uon h LEU 909 N 0.41 0.41 0.24 2.35 7.12 -1.52 -0.23 115.31 124.10 1uon h LEU 909 Ca 0.14 0.05 -0.01 0.00 0.13 0.00 0.00 57.88 58.18 1uon h LEU 909 Cb 0.01 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.11 1uon h LEU 909 CO -0.07 0.26 -0.12 0.24 -0.13 0.00 0.00 178.44 178.63 1uon h MET 910 N 0.56 -0.31 -0.69 1.25 2.86 -0.28 0.11 114.93 118.42 1uon h MET 910 Ca 0.30 0.02 0.10 0.00 -2.06 0.00 0.00 59.70 58.06 1uon h MET 910 Cb 0.27 0.07 -0.08 0.00 0.06 0.00 0.00 31.60 31.92 1uon h MET 910 CO -0.23 -0.14 0.31 1.15 1.06 0.00 0.00 176.91 179.07 1uon h THR 911 N -0.42 0.79 -0.20 2.22 2.02 -0.75 0.22 112.91 116.78 1uon h THR 911 Ca -0.03 -0.18 -0.04 0.00 0.77 0.00 0.00 66.41 66.93 1uon h THR 911 Cb 0.32 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1uon h THR 911 CO 0.05 0.10 -0.01 -0.09 0.37 0.00 0.00 175.52 175.94 1uon h ARG 912 N 0.52 0.37 -0.39 6.66 2.43 -0.86 -2.21 114.38 120.90 1uon h ARG 912 Ca 0.35 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1uon h ARG 912 Cb 0.42 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 1uon h ARG 912 CO -0.30 0.58 0.24 2.35 -1.51 0.00 0.00 179.97 181.33 1uon h TRP 913 N 0.12 0.50 -0.50 2.20 7.01 -0.14 -1.35 115.95 123.80 1uon h TRP 913 Ca 0.06 0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.10 1uon h TRP 913 Cb 0.42 -0.17 -0.04 0.00 -2.10 0.00 0.00 29.16 27.27 1uon h TRP 913 CO 0.04 0.34 0.26 0.52 -2.79 0.00 0.00 178.44 176.81 1uon h MET 914 N 0.52 0.49 -0.09 2.65 2.86 -0.48 -2.46 114.93 118.42 1uon h MET 914 Ca 0.14 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 1uon h MET 914 Cb -0.02 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.53 1uon h MET 914 CO -0.03 0.32 0.01 0.28 1.06 0.00 0.00 176.91 178.55 1uon h VAL 915 N 0.50 1.23 0.00 -2.22 2.07 -1.23 -0.20 116.25 116.41 1uon h VAL 915 Ca 0.22 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1uon h VAL 915 Cb 0.12 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1uon h VAL 915 CO -0.15 0.20 0.00 0.00 0.02 0.00 0.00 177.57 177.64 1uon n ALA 916 N -2.27 1.43 -1.35 1.67 0.00 -0.53 -1.66 120.51 117.80 1uon n ALA 916 Ca -0.06 -0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.43 1uon n ALA 916 Cb 0.18 -1.07 0.18 0.00 0.00 0.00 0.00 19.45 18.74 1uon n ALA 916 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1uon n ASN 917 N -1.24 2.06 0.00 0.00 4.13 -0.95 -4.98 115.26 114.28 1uon n ASN 917 Ca 0.02 -3.52 0.00 0.00 1.68 0.00 0.00 54.58 52.76 1uon n ASN 917 Cb 0.03 -0.49 0.00 0.00 -1.54 0.00 0.00 39.78 37.78 1uon n ASN 917 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1uon n GLY 918 N -1.25 2.17 3.01 7.41 0.00 -0.67 -4.96 105.19 110.90 1uon n GLY 918 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1uon n GLY 918 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1uon n TYR 919 N -2.00 3.79 -4.42 1.61 4.01 -0.12 -4.92 117.16 115.10 1uon n TYR 919 Ca 0.00 -2.94 -0.27 0.00 -0.16 0.00 0.00 57.90 54.53 1uon n TYR 919 Cb 0.00 -2.42 -0.12 0.00 -0.31 0.00 0.00 39.34 36.49 1uon n TYR 919 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1uon s VAL 920 N 2.72 2.34 0.21 -0.72 1.01 -1.26 0.08 120.40 124.78 1uon s VAL 920 Ca 0.47 -2.03 -0.13 0.00 0.00 0.00 0.00 61.98 60.29 1uon s VAL 920 Cb 0.09 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.36 1uon s VAL 920 CO -0.03 -0.12 0.44 0.28 0.00 0.00 0.00 175.10 175.68 1uon s THR 921 N -1.67 0.02 -0.14 3.92 -1.32 -0.84 -4.54 115.64 111.07 1uon s THR 921 Ca 0.21 -1.24 0.17 0.00 -1.21 0.00 0.00 61.69 59.61 1uon s THR 921 Cb -0.08 -1.96 -0.10 0.00 -1.51 0.00 0.00 72.50 68.85 1uon s THR 921 CO 0.10 -0.10 0.91 0.44 -2.21 0.00 0.00 174.62 173.75 1uon h ASP 922 N 2.31 0.00 -3.08 8.08 3.32 -1.98 -3.44 116.42 121.62 1uon h ASP 922 Ca -0.28 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.24 1uon h ASP 922 Cb 1.25 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.82 1uon h ASP 922 CO 0.39 0.52 0.67 -0.13 -1.72 0.00 0.00 179.24 178.97 1uon s ARG 923 N -2.97 4.36 -0.50 3.56 0.52 -1.26 -4.97 118.95 117.70 1uon s ARG 923 Ca -0.02 1.98 -0.19 0.00 -0.52 0.00 0.00 55.73 56.98 1uon s ARG 923 Cb 0.09 -3.27 0.05 0.00 0.52 0.00 0.00 34.95 32.34 1uon s ARG 923 CO 0.80 -0.37 0.62 0.00 0.02 0.00 0.00 175.30 176.37 1uon s SER 925 N 2.61 6.70 0.38 0.00 0.15 0.62 -4.85 113.70 119.31 1uon s SER 925 Ca 0.16 2.61 0.11 0.00 0.70 0.00 0.00 55.95 59.53 1uon s SER 925 Cb -0.19 -2.64 0.75 0.00 -1.71 0.00 0.00 66.02 62.23 1uon s SER 925 CO 0.12 -0.57 1.86 0.74 1.20 0.00 0.00 173.24 176.59 1uon h THR 926 N 2.85 1.23 0.00 6.45 2.02 -1.96 0.27 112.91 123.77 1uon h THR 926 Ca -0.49 -1.09 -0.32 0.00 0.77 0.00 0.00 66.41 65.28 1uon h THR 926 Cb 1.23 1.53 -0.05 0.00 -1.74 0.00 0.00 68.15 69.12 1uon h THR 926 CO 0.65 0.32 -1.93 0.52 0.37 0.00 0.00 175.52 175.45 1uon n VAL 927 N -4.16 1.52 -1.12 3.16 0.31 -1.26 -4.67 118.33 112.11 1uon n VAL 927 Ca -0.02 -0.20 -0.02 0.00 -0.01 0.00 0.00 64.34 64.10 1uon n VAL 927 Cb 0.36 -2.01 0.27 0.00 -0.91 0.00 0.00 33.84 31.55 1uon n VAL 927 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1uon n PHE 928 N -4.34 1.75 -0.45 3.52 3.72 -1.25 -4.94 117.46 115.48 1uon n PHE 928 Ca -0.41 -1.21 0.00 0.00 -0.05 0.00 0.00 57.45 55.78 1uon n PHE 928 Cb 0.76 -0.55 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 1uon n PHE 928 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1uon n GLY 929 N -0.48 2.86 1.50 1.37 0.00 0.08 -1.58 105.19 108.93 1uon n GLY 929 Ca 0.34 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 46.18 1uon n GLY 929 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1uon n ASN 930 N 2.18 3.31 -4.78 1.61 4.13 -1.26 0.23 115.26 120.68 1uon n ASN 930 Ca 0.00 -2.68 -0.37 0.00 1.68 0.00 0.00 54.58 53.20 1uon n ASN 930 Cb 0.00 -0.64 -0.06 0.00 -1.54 0.00 0.00 39.78 37.53 1uon n ASN 930 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1uon s ALA 931 N -1.52 3.62 -1.47 5.41 0.00 -0.62 -1.99 121.76 125.20 1uon s ALA 931 Ca 0.25 -0.31 -0.12 0.00 0.00 0.00 0.00 51.96 51.78 1uon s ALA 931 Cb 0.21 -2.43 -0.04 0.00 0.00 0.00 0.00 23.12 20.86 1uon s ALA 931 CO 0.05 0.24 2.58 -3.47 0.00 0.00 0.00 175.76 175.17 1uon n ASP 932 N 2.86 6.40 -0.29 0.00 -0.08 0.11 -4.72 116.55 120.82 1uon n ASP 932 Ca -0.12 -2.65 0.13 0.00 -1.51 0.00 0.00 54.79 50.64 1uon n ASP 932 Cb 0.52 -1.53 0.38 0.00 2.34 0.00 0.00 41.12 42.82 1uon n ASP 932 CO 0.00 0.00 0.00 0.10 0.12 0.00 0.00 177.20 177.42 1uon h TYR 933 N 5.62 0.86 -0.37 -0.67 -0.00 -1.92 -1.92 116.97 118.56 1uon h TYR 933 Ca 0.71 0.03 0.00 0.00 0.00 0.00 0.00 58.73 59.47 1uon h TYR 933 Cb 0.42 -0.27 -0.02 0.00 0.00 0.00 0.00 36.73 36.86 1uon h TYR 933 CO 1.71 0.28 0.23 0.00 -0.00 0.00 0.00 178.16 180.38 1uon h ARG 934 N 0.69 0.50 -0.36 0.10 3.08 -1.92 0.89 114.38 117.36 1uon h ARG 934 Ca 0.49 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 60.39 1uon h ARG 934 Cb 0.82 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 1uon h ARG 934 CO -0.24 0.36 -0.21 -0.09 -1.07 0.00 0.00 179.97 178.71 1uon h ARG 935 N 0.49 0.77 0.39 0.04 2.43 -1.77 -2.91 114.38 113.82 1uon h ARG 935 Ca 0.13 -0.36 -0.01 0.00 -0.81 0.00 0.00 59.98 58.93 1uon h ARG 935 Cb -0.02 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1uon h ARG 935 CO -0.03 0.98 -0.23 0.00 -1.51 0.00 0.00 179.97 179.18 1uon h PHE 937 N -0.60 0.00 0.19 0.00 0.04 -0.87 0.05 116.94 115.75 1uon h PHE 937 Ca -0.04 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.40 1uon h PHE 937 Cb 0.49 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.66 1uon h PHE 937 CO -0.09 0.02 -1.51 -0.91 -0.60 0.00 0.00 178.31 175.22 1uon h ASN 938 N 0.00 0.64 -0.24 2.17 2.35 -1.35 -1.30 115.58 117.86 1uon h ASN 938 Ca -0.00 -0.77 -0.20 0.00 -0.55 0.00 0.00 56.30 54.78 1uon h ASN 938 Cb 0.19 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1uon h ASN 938 CO 0.00 1.62 -0.64 -0.33 -1.65 0.00 0.00 177.43 176.44 1uon h GLU 939 N 0.11 0.85 0.00 0.81 5.08 -0.85 -3.02 114.58 117.56 1uon h GLU 939 Ca -0.25 -0.60 0.00 0.00 -1.00 0.00 0.00 59.36 57.51 1uon h GLU 939 Cb 2.10 0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.44 1uon h GLU 939 CO 0.22 1.22 0.00 1.28 -1.00 0.00 0.00 179.01 180.73 1uon n LEU 940 N -3.99 0.11 -0.38 1.33 4.77 -0.05 -4.89 117.00 113.91 1uon n LEU 940 Ca -0.06 0.52 -0.05 0.00 -0.03 0.00 0.00 56.01 56.39 1uon n LEU 940 Cb 0.67 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 41.26 1uon n LEU 940 CO 0.51 -0.12 -0.05 0.29 -1.33 0.00 0.00 177.39 176.70 1uon n LYS 941 N -1.61 -0.34 -0.06 3.23 4.76 -1.14 -4.56 118.16 118.44 1uon n LYS 941 Ca 0.06 0.66 -0.11 0.00 -2.87 0.00 0.00 58.31 56.05 1uon n LYS 941 Cb 0.29 -4.37 0.02 0.00 -1.84 0.00 0.00 35.03 29.14 1uon n LYS 941 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1uon h LEU 942 N 0.00 0.82 -0.03 -0.35 6.46 -1.54 0.20 115.31 120.86 1uon h LEU 942 Ca -0.10 -0.39 -0.02 0.00 -0.12 0.00 0.00 57.88 57.24 1uon h LEU 942 Cb 0.34 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.04 1uon h LEU 942 CO 0.15 1.14 -0.06 1.88 -0.62 0.00 0.00 178.44 180.93 1uon h TYR 943 N 0.61 0.13 -0.04 1.25 0.05 -1.71 -1.47 116.97 115.78 1uon h TYR 943 Ca 0.04 -0.05 0.04 0.00 0.05 0.00 0.00 58.73 58.81 1uon h TYR 943 Cb 1.01 -0.02 -0.06 0.00 1.01 0.00 0.00 36.73 38.67 1uon h TYR 943 CO 0.05 0.64 -0.35 1.96 -1.05 0.00 0.00 178.16 179.41 1uon h GLN 944 N -0.42 -0.46 -0.98 4.88 7.50 -1.76 0.10 115.11 123.96 1uon h GLN 944 Ca 0.00 0.03 0.02 0.00 0.50 0.00 0.00 58.65 59.21 1uon h GLN 944 Cb 0.63 0.11 -0.05 0.00 0.05 0.00 0.00 27.48 28.22 1uon h GLN 944 CO 0.01 -0.31 0.64 0.78 -1.50 0.00 0.00 178.83 178.46 1uon h GLY 945 N -0.48 1.40 0.61 3.46 0.00 -0.65 0.22 103.07 107.63 1uon h GLY 945 Ca 0.07 -0.50 0.06 0.00 0.00 0.00 0.00 47.33 46.96 1uon h GLY 945 CO -0.31 0.46 0.24 -1.82 0.00 0.00 0.00 176.54 175.11 1uon h TYR 946 N 1.28 0.44 0.09 5.60 3.20 -0.17 -1.59 116.97 125.82 1uon h TYR 946 Ca 0.37 0.02 -0.27 0.00 3.14 0.00 0.00 58.73 62.00 1uon h TYR 946 Cb -0.07 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 1uon h TYR 946 CO -0.00 0.18 -1.27 1.88 -1.64 0.00 0.00 178.16 177.31 1uon h TYR 947 N 0.46 0.34 -0.30 -3.82 0.05 -0.48 -3.30 116.97 109.91 1uon h TYR 947 Ca 0.25 -0.25 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 1uon h TYR 947 Cb 0.22 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 37.93 1uon h TYR 947 CO -0.13 1.22 0.01 0.52 -1.05 0.00 0.00 178.16 178.73 1uon h MET 948 N 0.05 0.46 0.00 4.88 2.86 -0.37 -2.22 114.93 120.59 1uon h MET 948 Ca -0.13 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.40 1uon h MET 948 Cb 1.93 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 33.52 1uon h MET 948 CO 0.17 0.49 -0.08 0.00 1.06 0.00 0.00 176.91 178.55 1uon h ALA 949 N 1.57 1.31 -0.42 6.32 0.00 -1.37 -2.31 119.26 124.35 1uon h ALA 949 Ca 0.10 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1uon h ALA 949 Cb 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1uon h ALA 949 CO 0.01 0.10 0.00 1.04 0.00 0.00 0.00 179.25 180.39 1uon n GLN 950 N -3.63 2.10 -3.99 0.00 6.02 -0.84 -4.91 117.38 112.13 1uon n GLN 950 Ca -0.02 -1.69 -0.32 0.00 -0.01 0.00 0.00 57.00 54.95 1uon n GLN 950 Cb 0.19 -1.39 -0.06 0.00 1.02 0.00 0.00 30.24 30.00 1uon n GLN 950 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1uon s LEU 951 N -1.14 4.15 -0.04 1.08 1.43 -0.87 -5.05 118.68 118.24 1uon s LEU 951 Ca 0.33 0.23 -0.39 0.00 -1.03 0.00 0.00 54.13 53.27 1uon s LEU 951 Cb 0.18 -2.55 -0.17 0.00 0.03 0.00 0.00 46.19 43.67 1uon s LEU 951 CO 0.24 0.24 1.38 -2.65 0.23 0.00 0.00 176.35 175.79 1uon n PRO 952 N 0.84 0.86 -0.77 1.29 -0.02 -1.26 -4.88 135.00 131.05 1uon n PRO 952 Ca -0.10 0.31 0.05 0.00 -2.02 0.00 0.00 63.50 61.74 1uon n PRO 952 Cb 0.52 -1.93 0.33 0.00 -0.02 0.00 0.00 33.50 32.41 1uon n PRO 952 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1uon n ARG 953 N 2.96 4.21 -3.66 -0.52 1.74 -1.26 -4.88 116.66 115.25 1uon n ARG 953 Ca 0.21 -2.65 -0.15 0.00 -0.77 0.00 0.00 57.85 54.49 1uon n ARG 953 Cb 0.14 -2.14 -0.08 0.00 -1.02 0.00 0.00 32.46 29.36 1uon n ARG 953 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1uon s ASN 954 N -0.66 -0.39 0.60 0.55 4.22 -1.26 -2.89 114.94 115.10 1uon s ASN 954 Ca 0.46 0.37 -0.18 0.00 -2.14 0.00 0.00 52.86 51.36 1uon s ASN 954 Cb 0.35 0.42 -0.06 0.00 1.28 0.00 0.00 41.25 43.25 1uon s ASN 954 CO 0.13 -0.51 0.87 -2.65 -2.04 0.00 0.00 177.10 172.90 1uon n PRO 955 N 1.15 0.81 -4.31 3.55 -0.02 -1.26 -4.99 135.00 129.92 1uon n PRO 955 Ca -0.20 0.31 -0.32 0.00 -2.02 0.00 0.00 63.50 61.27 1uon n PRO 955 Cb 0.56 -2.07 -0.09 0.00 -0.02 0.00 0.00 33.50 31.88 1uon n PRO 955 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1uon s LYS 956 N -2.62 2.58 0.00 -0.52 1.02 -1.26 -5.01 119.74 113.93 1uon s LYS 956 Ca 0.74 -0.74 0.14 0.00 0.02 0.00 0.00 55.97 56.13 1uon s LYS 956 Cb -0.42 -2.54 -0.13 0.00 -0.52 0.00 0.00 37.83 34.22 1uon s LYS 956 CO 0.48 0.59 0.61 1.63 -0.92 0.00 0.00 175.35 177.74 1uon n LYS 957 N 1.22 2.39 -1.78 1.68 4.01 -1.26 -4.86 118.16 119.55 1uon n LYS 957 Ca -0.14 -0.10 -0.36 0.00 -0.51 0.00 0.00 58.31 57.20 1uon n LYS 957 Cb 0.52 -1.16 0.06 0.00 -0.51 0.00 0.00 35.03 33.95 1uon n LYS 957 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1uon s SER 958 N -2.22 4.73 0.00 4.39 1.04 -1.26 -2.45 113.70 117.93 1uon s SER 958 Ca 0.06 2.50 0.00 0.00 0.48 0.00 0.00 55.95 58.99 1uon s SER 958 Cb 0.11 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.62 1uon s SER 958 CO 0.54 -1.91 0.00 0.61 0.98 0.00 0.00 173.24 173.45 1uon n GLY 959 N 0.68 0.82 3.74 7.32 0.00 -1.26 -5.03 105.19 111.47 1uon n GLY 959 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1uon n GLY 959 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uon s ARG 960 N -0.67 4.45 -0.29 1.61 0.52 -1.03 -4.86 118.95 118.69 1uon s ARG 960 Ca 0.00 1.97 -0.37 0.00 -0.52 0.00 0.00 55.73 56.81 1uon s ARG 960 Cb 0.00 -3.20 -0.13 0.00 0.52 0.00 0.00 34.95 32.14 1uon s ARG 960 CO 0.00 -0.14 1.99 0.00 0.02 0.00 0.00 175.30 177.18 1uon n ALA 961 N 2.29 0.61 -3.92 2.13 0.00 -1.26 -4.92 120.51 115.45 1uon n ALA 961 Ca 0.04 0.15 -0.33 0.00 0.00 0.00 0.00 53.44 53.31 1uon n ALA 961 Cb 0.44 -2.42 -0.14 0.00 0.00 0.00 0.00 19.45 17.32 1uon n ALA 961 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uon s ALA 962 N 5.50 2.84 -0.77 0.00 0.00 -1.26 -4.67 121.76 123.41 1uon s ALA 962 Ca 1.03 -2.20 -0.24 0.00 0.00 0.00 0.00 51.96 50.56 1uon s ALA 962 Cb -0.92 -1.94 -0.17 0.00 0.00 0.00 0.00 23.12 20.09 1uon s ALA 962 CO 0.56 -1.51 2.44 -1.13 0.00 0.00 0.00 175.76 176.12 1uon n SER 963 N 4.43 1.07 -0.09 0.00 3.41 -1.26 -4.79 113.62 116.38 1uon n SER 963 Ca -0.05 -0.62 0.05 0.00 -0.26 0.00 0.00 58.87 57.99 1uon n SER 963 Cb 0.42 -1.27 0.09 0.00 -0.26 0.00 0.00 64.21 63.19 1uon n SER 963 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1uon n ARG 964 N 8.23 -0.02 0.07 4.33 0.00 -1.26 -1.24 116.66 126.78 1uon n ARG 964 Ca 0.52 0.40 -0.13 0.00 -0.00 0.00 0.00 57.85 58.63 1uon n ARG 964 Cb 0.33 -0.64 -0.08 0.00 0.00 0.00 0.00 32.46 32.07 1uon n ARG 964 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 1uon h GLU 965 N 0.00 -0.15 0.00 -0.14 4.81 -2.00 -0.48 114.58 116.63 1uon h GLU 965 Ca 0.17 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.33 1uon h GLU 965 Cb 0.37 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1uon h GLU 965 CO -0.25 0.10 -0.38 -0.24 -0.73 0.00 0.00 179.01 177.51 1uon h VAL 966 N -0.39 0.95 -0.47 0.32 3.04 -1.54 -1.61 116.25 116.55 1uon h VAL 966 Ca -0.02 -1.49 -0.09 0.00 -1.01 0.00 0.00 66.70 64.09 1uon h VAL 966 Cb 0.32 1.89 -0.02 0.00 -2.01 0.00 0.00 31.29 31.47 1uon h VAL 966 CO 0.03 0.37 -0.07 -0.09 -1.01 0.00 0.00 177.57 176.80 1uon h ARG 967 N 0.00 0.84 0.04 4.17 1.12 -1.22 -1.77 114.38 117.55 1uon h ARG 967 Ca -0.00 -0.27 -0.22 0.00 -1.11 0.00 0.00 59.98 58.38 1uon h ARG 967 Cb 0.86 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 30.73 1uon h ARG 967 CO 0.05 0.88 -1.01 0.93 -3.11 0.00 0.00 179.97 177.71 1uon h GLU 968 N 0.76 0.16 -0.35 0.20 5.08 -0.65 -2.87 114.58 116.92 1uon h GLU 968 Ca 0.13 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1uon h GLU 968 Cb 0.56 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1uon h GLU 968 CO 0.03 1.04 0.17 1.96 -1.00 0.00 0.00 179.01 181.21 1uon h GLN 969 N 0.07 0.50 0.72 2.33 4.20 -1.10 -1.26 115.11 120.57 1uon h GLN 969 Ca -0.06 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.55 1uon h GLN 969 Cb 1.71 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 29.40 1uon h GLN 969 CO 0.15 0.45 -0.38 0.35 -0.67 0.00 0.00 178.83 178.73 1uon h PHE 970 N 0.43 -0.99 0.00 2.96 3.57 -1.37 -0.32 116.94 121.22 1uon h PHE 970 Ca 0.12 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 1uon h PHE 970 Cb 0.11 0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.19 1uon h PHE 970 CO -0.02 -0.60 -0.02 1.79 -2.23 0.00 0.00 178.31 177.24 1uon h THR 971 N -1.01 0.16 0.05 4.41 1.35 -1.51 0.06 112.91 116.41 1uon h THR 971 Ca -0.10 -0.18 -0.22 0.00 -0.55 0.00 0.00 66.41 65.36 1uon h THR 971 Cb 0.79 1.15 0.02 0.00 -1.73 0.00 0.00 68.15 68.38 1uon h THR 971 CO 0.14 0.02 -0.88 -0.61 -0.25 0.00 0.00 175.52 173.94 1uon h GLN 972 N 0.00 0.52 -0.04 4.72 5.75 -0.85 -1.68 115.11 123.53 1uon h GLN 972 Ca -0.00 -0.62 -0.00 0.00 -0.15 0.00 0.00 58.65 57.88 1uon h GLN 972 Cb 0.15 0.19 -0.00 0.00 1.07 0.00 0.00 27.48 28.89 1uon h GLN 972 CO 0.00 1.24 0.03 0.00 -2.65 0.00 0.00 178.83 177.45 1uon h ALA 973 N 0.30 0.05 -0.46 3.38 0.00 0.38 0.01 119.26 122.93 1uon h ALA 973 Ca -0.12 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.84 1uon h ALA 973 Cb 1.59 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.30 1uon h ALA 973 CO 0.17 -0.43 0.11 -0.07 0.00 0.00 0.00 179.25 179.03 1uon h LEU 974 N 0.02 0.05 -0.59 0.00 3.38 -1.08 -1.10 115.31 116.00 1uon h LEU 974 Ca 0.01 0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.11 1uon h LEU 974 Cb 0.03 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 1uon h LEU 974 CO -0.00 0.06 0.32 -1.28 0.09 0.00 0.00 178.44 177.63 1uon h SER 975 N 0.26 0.48 -0.41 -0.43 0.87 -0.73 -1.90 113.55 111.69 1uon h SER 975 Ca 0.23 0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.76 1uon h SER 975 Cb 0.27 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 1uon h SER 975 CO -0.28 0.32 0.08 0.44 -0.53 0.00 0.00 176.83 176.86 1uon h ASP 976 N 0.61 0.70 -0.14 6.23 3.32 -0.21 0.77 116.42 127.69 1uon h ASP 976 Ca 0.26 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 1uon h ASP 976 Cb 0.14 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1uon h ASP 976 CO -0.16 0.71 0.08 0.22 -1.72 0.00 0.00 179.24 178.38 1uon h TYR 977 N 0.71 0.19 -0.03 4.55 3.20 -0.66 -1.39 116.97 123.54 1uon h TYR 977 Ca 0.15 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.96 1uon h TYR 977 Cb 0.32 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.53 1uon h TYR 977 CO 0.02 0.18 -0.23 1.25 -1.64 0.00 0.00 178.16 177.73 1uon h LEU 978 N 0.15 0.26 -2.86 2.82 5.85 -1.00 -3.29 115.31 117.23 1uon h LEU 978 Ca 0.05 -0.69 -0.22 0.00 0.84 0.00 0.00 57.88 57.86 1uon h LEU 978 Cb 0.05 -0.08 -0.13 0.00 0.37 0.00 0.00 40.66 40.87 1uon h LEU 978 CO -0.01 0.91 0.28 0.23 -0.34 0.00 0.00 178.44 179.52 1uon n MET 979 N -4.52 1.58 -0.11 1.25 2.81 0.26 -4.56 117.12 113.83 1uon n MET 979 Ca -0.09 -1.33 -0.09 0.00 -1.81 0.00 0.00 57.70 54.38 1uon n MET 979 Cb 0.47 -1.53 -0.07 0.00 -0.71 0.00 0.00 33.22 31.38 1uon n MET 979 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 1uon h GLN 980 N 0.48 -0.23 -6.34 0.03 4.20 -1.33 -3.38 115.11 108.55 1uon h GLN 980 Ca 0.28 0.02 -0.57 0.00 0.06 0.00 0.00 58.65 58.43 1uon h GLN 980 Cb 1.81 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 29.61 1uon h GLN 980 CO 0.48 -0.15 1.16 1.21 -0.67 0.00 0.00 178.83 180.86 1uon s ASN 981 N -4.31 6.21 0.54 1.46 3.84 -1.26 -4.90 114.94 116.52 1uon s ASN 981 Ca -0.09 1.32 0.28 0.00 0.21 0.00 0.00 52.86 54.58 1uon s ASN 981 Cb 0.06 -2.53 1.44 0.00 -0.55 0.00 0.00 41.25 39.67 1uon s ASN 981 CO 0.41 -1.45 1.94 -0.65 -2.79 0.00 0.00 177.10 174.56 1uon h PRO 982 N 11.41 0.00 -0.62 0.43 0.11 -1.99 -1.48 132.00 139.86 1uon h PRO 982 Ca -0.32 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 1uon h PRO 982 Cb 1.15 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 1uon h PRO 982 CO 1.03 0.00 0.34 1.49 -0.21 0.00 0.00 178.00 180.65 1uon h GLU 983 N 0.00 0.87 0.25 1.05 4.81 -1.93 0.11 114.58 119.74 1uon h GLU 983 Ca 0.33 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 1uon h GLU 983 Cb 1.34 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1uon h GLU 983 CO -0.00 0.66 -0.12 1.25 -0.73 0.00 0.00 179.01 180.07 1uon h LEU 984 N 0.85 -0.28 -0.41 1.64 6.46 -1.64 -2.15 115.31 119.77 1uon h LEU 984 Ca 0.22 -0.07 0.06 0.00 -0.12 0.00 0.00 57.88 57.97 1uon h LEU 984 Cb 0.05 0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 39.99 1uon h LEU 984 CO -0.03 -0.11 0.08 0.50 -0.62 0.00 0.00 178.44 178.26 1uon h LYS 985 N -0.44 0.21 -0.77 1.25 3.64 -1.40 0.02 116.57 119.07 1uon h LYS 985 Ca -0.03 -0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.44 1uon h LYS 985 Cb 0.34 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.06 1uon h LYS 985 CO 0.06 0.14 0.51 1.03 -2.27 0.00 0.00 179.45 178.91 1uon h SER 986 N 0.21 0.58 -0.52 4.20 0.87 -0.67 -0.74 113.55 117.48 1uon h SER 986 Ca 0.20 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.74 1uon h SER 986 Cb 0.24 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 1uon h SER 986 CO -0.26 0.33 0.17 0.03 -0.53 0.00 0.00 176.83 176.57 1uon h ARG 987 N 0.63 0.81 -0.35 2.24 3.08 -0.33 -2.38 114.38 118.09 1uon h ARG 987 Ca 0.36 -0.17 -0.13 0.00 0.07 0.00 0.00 59.98 60.12 1uon h ARG 987 Cb 0.56 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1uon h ARG 987 CO -0.14 0.74 -0.28 0.28 -1.07 0.00 0.00 179.97 179.51 1uon h VAL 988 N 0.72 1.29 -0.75 2.04 2.07 -0.61 -2.12 116.25 118.89 1uon h VAL 988 Ca 0.17 -1.44 0.05 0.00 0.82 0.00 0.00 66.70 66.30 1uon h VAL 988 Cb 0.27 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 1uon h VAL 988 CO -0.01 0.47 0.49 -0.07 0.02 0.00 0.00 177.57 178.48 1uon h LEU 989 N 0.60 0.74 0.23 2.57 3.38 -1.19 0.15 115.31 121.79 1uon h LEU 989 Ca 0.07 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1uon h LEU 989 Cb 0.85 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1uon h LEU 989 CO 0.07 0.49 -0.11 -0.09 0.09 0.00 0.00 178.44 178.89 1uon h ARG 990 N 0.85 -0.30 -0.99 1.13 1.12 -1.21 -2.29 114.38 112.68 1uon h ARG 990 Ca 0.31 0.02 0.17 0.00 -1.11 0.00 0.00 59.98 59.37 1uon h ARG 990 Cb 0.16 0.07 -0.10 0.00 -0.01 0.00 0.00 29.97 30.09 1uon h ARG 990 CO -0.10 -0.02 0.62 0.78 -3.11 0.00 0.00 179.97 178.13 1uon h GLY 991 N -0.57 1.65 0.43 2.80 0.00 -0.66 -0.75 103.07 105.98 1uon h GLY 991 Ca -0.03 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 1uon h GLY 991 CO 0.05 0.02 -0.30 3.21 0.00 0.00 0.00 176.54 179.52 1uon h ARG 992 N 0.81 -0.67 -0.00 4.80 3.08 -0.33 0.47 114.38 122.53 1uon h ARG 992 Ca 0.54 0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.62 1uon h ARG 992 Cb 0.78 0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.98 1uon h ARG 992 CO -0.32 -0.45 -0.08 0.66 -1.07 0.00 0.00 179.97 178.72 1uon h SER 993 N -0.69 0.01 0.17 7.04 4.64 -1.22 0.06 113.55 123.55 1uon h SER 993 Ca -0.06 -0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.15 1uon h SER 993 Cb 0.57 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 1uon h SER 993 CO 0.04 0.08 -0.41 -0.33 -0.87 0.00 0.00 176.83 175.34 1uon h GLU 994 N 0.01 0.32 -0.23 4.77 4.39 -0.86 -3.10 114.58 119.86 1uon h GLU 994 Ca 0.00 -0.15 -0.05 0.00 0.34 0.00 0.00 59.36 59.50 1uon h GLU 994 Cb 0.14 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1uon h GLU 994 CO 0.01 0.68 -0.05 2.35 -1.16 0.00 0.00 179.01 180.84 1uon h TRP 995 N 0.26 0.50 -0.43 4.33 2.91 0.19 -2.19 115.95 121.53 1uon h TRP 995 Ca 0.02 -0.10 0.12 0.00 1.13 0.00 0.00 58.89 60.06 1uon h TRP 995 Cb 0.84 -0.12 -0.02 0.00 -0.51 0.00 0.00 29.16 29.35 1uon h TRP 995 CO 0.02 0.67 0.39 0.93 -1.03 0.00 0.00 178.44 179.41 1uon h GLU 996 N 0.18 0.00 0.01 2.65 4.39 -1.32 0.44 114.58 120.94 1uon h GLU 996 Ca 0.06 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.55 1uon h GLU 996 Cb 0.50 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.12 1uon h GLU 996 CO 0.02 0.00 -1.11 0.87 -1.16 0.00 0.00 179.01 177.63 1uon h LYS 997 N 0.00 0.03 0.00 2.33 1.57 -1.52 -3.40 116.57 115.58 1uon h LYS 997 Ca 0.20 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.82 1uon h LYS 997 Cb 0.97 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 1uon h LYS 997 CO -0.00 1.03 -1.84 0.66 -0.57 0.00 0.00 179.45 178.72 1uon n TYR 998 N -4.38 0.00 -0.04 -1.35 4.02 -0.84 -4.79 117.16 109.77 1uon n TYR 998 Ca -0.28 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.56 1uon n TYR 998 Cb 0.68 -0.51 -0.06 0.00 -0.02 0.00 0.00 39.34 39.43 1uon n TYR 998 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1uon n GLY 999 N 1.81 -0.37 3.65 2.72 0.00 0.30 -4.63 105.19 108.66 1uon n GLY 999 Ca -0.12 -0.13 -0.49 0.00 0.00 0.00 0.00 46.02 45.29 1uon n GLY 999 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uon n ALA 1000N -2.37 0.52 0.00 4.61 0.00 0.13 -1.56 120.51 121.84 1uon n ALA 1000Ca -0.14 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1uon n ALA 1000Cb 0.76 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.94 1uon n ALA 1000CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uon n GLY 1001N 3.27 3.09 0.35 0.00 0.00 -1.26 -4.88 105.19 105.76 1uon n GLY 1001Ca 0.18 -0.89 -0.15 0.00 0.00 0.00 0.00 46.02 45.17 1uon n GLY 1001CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1uon h ILE 1002N 0.00 0.16 -2.13 -0.61 2.04 -1.63 -3.45 117.51 111.89 1uon h ILE 1002Ca 0.00 -0.34 -0.59 0.00 1.00 0.00 0.00 64.86 64.93 1uon h ILE 1002Cb 0.00 0.23 -0.14 0.00 -0.74 0.00 0.00 36.82 36.17 1uon h ILE 1002CO 0.00 0.02 -0.69 0.27 0.00 0.00 0.00 178.15 177.76 1uon s ILE 1003N -4.76 2.13 -0.12 -0.67 -4.36 -1.25 -4.51 121.20 107.66 1uon s ILE 1003Ca -0.14 -2.21 0.01 0.00 -0.26 0.00 0.00 60.65 58.05 1uon s ILE 1003Cb 0.02 -2.56 0.01 0.00 1.25 0.00 0.00 42.46 41.18 1uon s ILE 1003CO 0.46 -0.25 0.67 1.41 0.24 0.00 0.00 174.94 177.48 1uon n HIS 1004N -0.72 0.01 -1.09 1.37 8.25 -1.26 -4.69 115.22 117.09 1uon n HIS 1004Ca -0.05 -0.14 -0.07 0.00 -0.26 0.00 0.00 57.72 57.20 1uon n HIS 1004Cb 0.63 -0.01 0.29 0.00 1.12 0.00 0.00 29.99 32.01 1uon n HIS 1004CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1uon n ASN 1005N -0.08 4.55 -4.43 0.41 3.02 -1.25 -4.82 115.26 112.67 1uon n ASN 1005Ca 0.01 -3.28 -0.50 0.00 -0.03 0.00 0.00 54.58 50.77 1uon n ASN 1005Cb 0.10 -0.74 -0.08 0.00 -0.61 0.00 0.00 39.78 38.45 1uon n ASN 1005CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1uon n PRO 1006N -0.33 0.89 -2.22 3.52 -0.02 -1.26 -4.88 135.00 130.70 1uon n PRO 1006Ca 0.41 0.22 -0.40 0.00 -2.02 0.00 0.00 63.50 61.71 1uon n PRO 1006Cb 1.37 -2.36 -0.02 0.00 -0.02 0.00 0.00 33.50 32.47 1uon n PRO 1006CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1uon s PRO 1007N 6.51 4.30 -0.04 0.52 0.02 -1.26 -5.02 135.00 140.03 1uon s PRO 1007Ca 1.12 2.05 -0.13 0.00 0.02 0.00 0.00 61.00 64.06 1uon s PRO 1007Cb -0.91 -2.97 0.02 0.00 0.02 0.00 0.00 34.50 30.66 1uon s PRO 1007CO 0.49 -0.18 0.29 0.45 -0.33 0.00 0.00 177.00 177.72 1uon s SER 1008N -0.73 -0.19 0.47 2.53 0.15 -1.26 -4.56 113.70 110.09 1uon s SER 1008Ca 0.51 0.18 0.14 0.00 0.70 0.00 0.00 55.95 57.48 1uon s SER 1008Cb -0.36 0.38 1.08 0.00 -1.71 0.00 0.00 66.02 65.41 1uon s SER 1008CO 0.47 -0.35 2.06 -0.07 1.20 0.00 0.00 173.24 176.55 1uon h LEU 1009N 4.37 0.08 -0.41 3.45 3.38 -1.26 -1.11 115.31 123.81 1uon h LEU 1009Ca -0.29 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1uon h LEU 1009Cb 1.18 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1uon h LEU 1009CO 0.38 0.14 0.00 0.49 0.09 0.00 0.00 178.44 179.54 1uon n PHE 1010N -4.43 0.26 0.01 1.13 3.72 -1.26 -1.78 117.46 115.11 1uon n PHE 1010Ca -0.02 0.13 -0.12 0.00 -0.05 0.00 0.00 57.45 57.39 1uon n PHE 1010Cb 0.16 -0.70 -0.14 0.00 -0.94 0.00 0.00 39.48 37.86 1uon n PHE 1010CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1uon h ASP 1011N 0.00 0.14 -0.90 4.37 3.32 -1.60 -3.39 116.42 118.36 1uon h ASP 1011Ca 0.00 -0.25 0.24 0.00 0.02 0.00 0.00 57.03 57.05 1uon h ASP 1011Cb 0.09 -0.04 -0.16 0.00 0.22 0.00 0.00 39.33 39.44 1uon h ASP 1011CO 0.00 1.21 0.10 0.58 -1.72 0.00 0.00 179.24 179.41 1uon h VAL 1012N 0.02 0.18 -0.99 -1.35 2.07 -1.42 0.47 116.25 115.23 1uon h VAL 1012Ca -0.26 -0.03 0.04 0.00 0.82 0.00 0.00 66.70 67.28 1uon h VAL 1012Cb 1.98 0.08 -0.06 0.00 -1.52 0.00 0.00 31.29 31.78 1uon h VAL 1012CO 0.10 0.02 0.65 -0.65 0.02 0.00 0.00 177.57 177.71 1uon h PRO 1013N 0.09 1.20 -0.38 1.57 0.11 -1.75 0.24 132.00 133.07 1uon h PRO 1013Ca 0.55 -0.07 -0.13 0.00 0.11 0.00 0.00 66.00 66.46 1uon h PRO 1013Cb 1.11 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 31.94 1uon h PRO 1013CO -0.78 0.79 -0.28 0.45 -0.21 0.00 0.00 178.00 177.97 1uon h HIS 1014N 1.24 1.02 -0.30 0.65 3.86 -0.40 -1.21 115.15 120.00 1uon h HIS 1014Ca 0.40 -0.28 -0.10 0.00 -1.16 0.00 0.00 60.37 59.24 1uon h HIS 1014Cb 0.04 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.27 1uon h HIS 1014CO -0.00 1.07 -0.22 0.87 0.86 0.00 0.00 177.93 180.51 1uon h LYS 1015N 0.67 0.56 -0.45 2.45 1.57 -0.53 -1.61 116.57 119.23 1uon h LYS 1015Ca 0.07 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.60 1uon h LYS 1015Cb 0.85 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 1uon h LYS 1015CO 0.07 0.74 0.10 -1.49 -0.57 0.00 0.00 179.45 178.31 1uon h TRP 1016N 0.50 0.76 -0.04 -1.35 6.55 -0.34 -1.06 115.95 120.97 1uon h TRP 1016Ca 0.08 -0.10 0.00 0.00 0.95 0.00 0.00 58.89 59.83 1uon h TRP 1016Cb 0.65 -0.21 -0.01 0.00 -0.86 0.00 0.00 29.16 28.73 1uon h TRP 1016CO 0.02 0.71 0.01 -0.92 -1.05 0.00 0.00 178.44 177.21 1uon h TYR 1017N 0.60 0.01 -0.57 0.49 5.03 -1.01 -1.39 116.97 120.14 1uon h TYR 1017Ca 0.14 0.00 0.08 0.00 2.58 0.00 0.00 58.73 61.53 1uon h TYR 1017Cb 0.34 -0.00 -0.06 0.00 1.55 0.00 0.00 36.73 38.56 1uon h TYR 1017CO 0.02 0.01 0.23 1.96 -1.32 0.00 0.00 178.16 179.06 1uon h GLN 1018N 0.03 0.42 -0.68 1.82 4.20 -1.14 -0.56 115.11 119.19 1uon h GLN 1018Ca 0.02 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.74 1uon h GLN 1018Cb 0.01 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 27.65 1uon h GLN 1018CO -0.02 0.28 0.41 0.78 -0.67 0.00 0.00 178.83 179.60 1uon h GLY 1019N 0.43 0.98 1.82 3.46 0.00 -0.77 0.15 103.07 109.14 1uon h GLY 1019Ca 0.27 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 47.23 1uon h GLY 1019CO -0.25 0.23 -0.27 0.00 0.00 0.00 0.00 176.54 176.25 1uon h ALA 1020N 1.31 1.33 0.42 3.60 0.00 -0.51 -2.77 119.26 122.65 1uon h ALA 1020Ca 0.28 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1uon h ALA 1020Cb 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1uon h ALA 1020CO -0.13 0.46 -0.20 1.96 0.00 0.00 0.00 179.25 181.34 1uon h GLN 1021N 0.19 -0.55 0.00 0.00 4.20 -0.03 -1.08 115.11 117.83 1uon h GLN 1021Ca 0.03 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1uon h GLN 1021Cb 0.59 0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.49 1uon h GLN 1021CO 0.04 -0.37 0.02 0.39 -0.67 0.00 0.00 178.83 178.24 1uon n GLU 1022N -4.18 0.00 0.01 1.46 -0.58 0.42 -1.13 120.64 116.64 1uon n GLU 1022Ca -0.07 0.11 -0.01 0.00 -0.42 0.00 0.00 57.16 56.77 1uon n GLU 1022Cb 0.22 -1.52 -0.10 0.00 -0.57 0.00 0.00 31.44 29.48 1uon n GLU 1022CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1uon n ALA 1023N -1.06 1.91 -1.07 0.62 0.00 -1.05 -4.95 120.51 114.92 1uon n ALA 1023Ca 0.00 -0.62 -0.31 0.00 0.00 0.00 0.00 53.44 52.51 1uon n ALA 1023Cb 0.02 -0.88 0.12 0.00 0.00 0.00 0.00 19.45 18.71 1uon n ALA 1023CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uon s ALA 1024N -2.90 1.85 0.29 0.00 0.00 -0.29 -4.96 121.76 115.76 1uon s ALA 1024Ca -0.04 0.31 -0.29 0.00 0.00 0.00 0.00 51.96 51.94 1uon s ALA 1024Cb 0.09 -3.31 -0.10 0.00 0.00 0.00 0.00 23.12 19.79 1uon s ALA 1024CO 0.82 -2.20 1.36 0.42 0.00 0.00 0.00 175.76 176.16 1uon s ILE 1025N -2.82 2.73 0.54 0.00 1.01 -1.26 -5.01 121.20 116.39 1uon s ILE 1025Ca 0.63 0.67 -0.08 0.00 0.00 0.00 0.00 60.65 61.87 1uon s ILE 1025Cb -0.19 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 1uon s ILE 1025CO 0.57 0.14 0.90 0.00 0.00 0.00 0.00 174.94 176.55 1uon s ALA 1026N -0.62 3.25 0.35 9.38 0.00 -1.26 -5.07 121.76 127.80 1uon s ALA 1026Ca 0.53 -0.29 0.04 0.00 0.00 0.00 0.00 51.96 52.24 1uon s ALA 1026Cb -0.40 -2.83 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 1uon s ALA 1026CO 0.48 -0.49 0.52 0.95 0.00 0.00 0.00 175.76 177.22 1uon s THR 1027N -2.93 4.38 0.34 0.00 -4.23 -1.26 -4.99 115.64 106.95 1uon s THR 1027Ca 0.51 -0.78 0.32 0.00 -1.18 0.00 0.00 61.69 60.56 1uon s THR 1027Cb -0.11 -3.56 0.34 0.00 1.34 0.00 0.00 72.50 70.52 1uon s THR 1027CO 0.48 -0.29 2.07 -0.09 -0.54 0.00 0.00 174.62 176.26 1uon h ARG 1028N 0.77 0.00 0.02 3.99 2.43 -1.99 -2.03 114.38 117.57 1uon h ARG 1028Ca -0.47 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.70 1uon h ARG 1028Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1uon h ARG 1028CO 0.57 0.08 -0.01 0.93 -1.51 0.00 0.00 179.97 180.02 1uon h GLU 1029N 0.00 -0.02 -0.19 0.20 3.07 -1.99 -1.89 114.58 113.76 1uon h GLU 1029Ca -0.00 0.00 0.05 0.00 -0.50 0.00 0.00 59.36 58.92 1uon h GLU 1029Cb 0.37 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 1uon h GLU 1029CO 0.01 0.63 0.15 0.93 -1.40 0.00 0.00 179.01 179.34 1uon h GLU 1030N -0.71 0.00 -0.11 2.33 5.08 -1.81 0.32 114.58 119.69 1uon h GLU 1030Ca -0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1uon h GLU 1030Cb 0.66 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 1uon h GLU 1030CO 0.00 0.00 -0.11 1.25 -1.00 0.00 0.00 179.01 179.15 1uon h LEU 1031N 0.00 0.29 -0.50 1.33 5.85 -1.25 -1.88 115.31 119.15 1uon h LEU 1031Ca 0.09 -0.49 0.03 0.00 0.84 0.00 0.00 57.88 58.35 1uon h LEU 1031Cb 0.40 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 1uon h LEU 1031CO -0.00 0.72 0.28 0.00 -0.34 0.00 0.00 178.44 179.10 1uon h ALA 1032N 0.58 0.64 -0.87 1.25 0.00 -0.31 -1.34 119.26 119.21 1uon h ALA 1032Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.02 1uon h ALA 1032Cb 0.64 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 1uon h ALA 1032CO 0.03 -0.03 0.52 0.93 0.00 0.00 0.00 179.25 180.69 1uon h GLU 1033N 0.56 0.84 -0.72 0.00 5.08 -0.89 0.14 114.58 119.60 1uon h GLU 1033Ca 0.21 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1uon h GLU 1033Cb 0.06 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 1uon h GLU 1033CO -0.11 0.56 0.32 1.98 -1.00 0.00 0.00 179.01 180.75 1uon h MET 1034N 0.87 1.05 -0.12 2.33 4.05 -0.43 -2.11 114.93 120.57 1uon h MET 1034Ca 0.42 -0.17 -0.02 0.00 -0.28 0.00 0.00 59.70 59.65 1uon h MET 1034Cb 0.36 -0.18 -0.00 0.00 -0.80 0.00 0.00 31.60 30.98 1uon h MET 1034CO -0.24 0.85 0.00 -0.44 0.23 0.00 0.00 176.91 177.31 1uon h ASP 1035N 1.01 0.21 -1.01 1.39 3.32 -0.15 -2.71 116.42 118.49 1uon h ASP 1035Ca 0.24 -0.30 0.16 0.00 0.02 0.00 0.00 57.03 57.15 1uon h ASP 1035Cb 0.17 -0.06 -0.10 0.00 0.22 0.00 0.00 39.33 39.56 1uon h ASP 1035CO -0.03 0.46 0.62 -0.08 -1.72 0.00 0.00 179.24 178.49 1uon h GLU 1036N -0.05 0.83 -0.04 3.56 4.57 -0.64 0.27 114.58 123.08 1uon h GLU 1036Ca 0.03 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1uon h GLU 1036Cb 0.35 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 28.75 1uon h GLU 1036CO 0.01 0.55 0.02 1.15 -1.18 0.00 0.00 179.01 179.56 1uon h THR 1037N 0.85 1.04 -0.61 0.32 2.02 -1.20 0.31 112.91 115.66 1uon h THR 1037Ca 0.55 -0.12 -0.06 0.00 0.77 0.00 0.00 66.41 67.55 1uon h THR 1037Cb 0.74 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 68.19 1uon h THR 1037CO -0.34 0.04 0.14 -0.07 0.37 0.00 0.00 175.52 175.66 1uon h LEU 1038N 0.01 0.89 -0.77 2.58 3.38 -0.93 -2.15 115.31 118.32 1uon h LEU 1038Ca 0.01 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 1uon h LEU 1038Cb 0.04 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1uon h LEU 1038CO -0.00 0.87 -0.42 -0.03 0.09 0.00 0.00 178.44 178.95 1uon h MET 1039N 0.91 0.00 0.04 1.13 4.05 -0.12 -2.51 114.93 118.43 1uon h MET 1039Ca 0.19 0.00 -0.26 0.00 -0.28 0.00 0.00 59.70 59.36 1uon h MET 1039Cb 0.33 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 31.15 1uon h MET 1039CO 0.00 0.42 -1.06 -0.09 0.23 0.00 0.00 176.91 176.40 1uon h ARG 1040N 0.00 0.50 -0.23 0.39 2.43 -0.08 -2.62 114.38 114.77 1uon h ARG 1040Ca -0.00 -0.59 -0.07 0.00 -0.81 0.00 0.00 59.98 58.50 1uon h ARG 1040Cb 1.00 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 1uon h ARG 1040CO 0.05 1.22 -0.18 0.00 -1.51 0.00 0.00 179.97 179.56 1uon h ALA 1041N 0.56 1.27 0.00 2.80 0.00 -1.30 -1.19 119.26 121.40 1uon h ALA 1041Ca -0.12 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.39 1uon h ALA 1041Cb 1.72 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 1uon h ALA 1041CO 0.19 0.48 -0.54 -0.09 0.00 0.00 0.00 179.25 179.29 1uon h ARG 1042N 0.36 0.00 0.11 0.00 2.43 -1.36 -3.23 114.38 112.69 1uon h ARG 1042Ca 0.06 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.06 1uon h ARG 1042Cb 0.53 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.10 1uon h ARG 1042CO 0.03 0.54 -0.73 0.00 -1.51 0.00 0.00 179.97 178.31 1uon h ARG 1043N 0.00 0.30 -6.75 0.20 3.08 -1.08 -3.47 114.38 106.66 1uon h ARG 1043Ca -0.01 -0.47 -0.56 0.00 0.07 0.00 0.00 59.98 59.01 1uon h ARG 1043Cb 1.00 0.17 0.18 0.00 0.08 0.00 0.00 29.97 31.39 1uon h ARG 1043CO 0.07 1.20 -0.16 1.58 -1.07 0.00 0.00 179.97 181.60 1uon n HIS 1044N -4.17 -0.07 -4.55 3.04 -0.00 -0.48 -5.02 115.22 103.96 1uon n HIS 1044Ca -0.13 0.39 -0.30 0.00 0.46 0.00 0.00 57.72 58.14 1uon n HIS 1044Cb 0.78 -2.01 -0.12 0.00 -0.12 0.00 0.00 29.99 28.51 1uon n HIS 1044CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 1uon s SER 1045N -1.45 3.74 0.42 0.26 1.04 -1.26 -4.89 113.70 111.56 1uon s SER 1045Ca 0.70 -0.50 0.07 0.00 0.48 0.00 0.00 55.95 56.70 1uon s SER 1045Cb -0.37 -0.54 -0.08 0.00 0.10 0.00 0.00 66.02 65.14 1uon s SER 1045CO 0.53 0.23 0.01 -0.31 0.98 0.00 0.00 173.24 174.68 1uon s TYR 1046N -0.99 2.47 0.00 5.02 2.02 -1.26 -5.06 117.35 119.56 1uon s TYR 1046Ca 0.15 -0.69 0.00 0.00 -0.37 0.00 0.00 57.07 56.16 1uon s TYR 1046Cb -0.10 -1.76 0.00 0.00 -0.40 0.00 0.00 41.96 39.69 1uon s TYR 1046CO 0.06 0.43 0.49 -1.13 -1.57 0.00 0.00 175.55 173.83 1uon n SER 1047N -0.99 0.87 -3.63 2.29 3.41 -1.26 -4.87 113.62 109.45 1uon n SER 1047Ca -0.06 -1.20 -0.01 0.00 -0.26 0.00 0.00 58.87 57.35 1uon n SER 1047Cb 0.67 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 1uon n SER 1047CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1uon s SER 1048N -0.20 -0.06 0.14 4.04 1.04 -1.26 -4.93 113.70 112.47 1uon s SER 1048Ca 0.00 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.10 1uon s SER 1048Cb 0.00 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.44 1uon s SER 1048CO 0.00 -0.60 0.00 0.49 0.98 0.00 0.00 173.24 174.11 1uon n PHE 1049N -0.59 -1.34 -1.11 5.02 3.72 -1.26 -5.06 117.46 116.83 1uon n PHE 1049Ca -0.05 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.04 1uon n PHE 1049Cb 0.61 0.00 0.11 0.00 -0.94 0.00 0.00 39.48 39.26 1uon n PHE 1049CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1uon s SER 1050N -1.00 4.05 0.49 4.37 1.04 -1.26 -4.78 113.70 116.61 1uon s SER 1050Ca 0.00 1.91 0.14 0.00 0.48 0.00 0.00 55.95 58.48 1uon s SER 1050Cb 0.00 -2.52 1.16 0.00 0.10 0.00 0.00 66.02 64.75 1uon s SER 1050CO 0.00 -2.34 2.11 0.11 0.98 0.00 0.00 173.24 174.10 1uon h LYS 1051N -1.34 0.16 0.01 4.02 1.57 -1.99 -1.27 116.57 117.74 1uon h LYS 1051Ca -0.44 -0.01 -0.25 0.00 -1.87 0.00 0.00 60.65 58.09 1uon h LYS 1051Cb 1.24 -0.04 0.02 0.00 0.08 0.00 0.00 32.23 33.54 1uon h LYS 1051CO 0.49 0.11 -0.98 -0.07 -0.57 0.00 0.00 179.45 178.43 1uon h LEU 1052N 0.17 0.84 -0.81 2.94 4.07 -1.96 -2.78 115.31 117.77 1uon h LEU 1052Ca 0.07 -0.75 -0.11 0.00 0.08 0.00 0.00 57.88 57.17 1uon h LEU 1052Cb 0.07 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.54 1uon h LEU 1052CO -0.01 1.48 -0.30 0.25 -1.08 0.00 0.00 178.44 178.78 1uon h LEU 1053N 0.29 0.56 -1.05 1.67 5.85 -1.81 -1.13 115.31 119.68 1uon h LEU 1053Ca -0.13 -0.21 -0.10 0.00 0.84 0.00 0.00 57.88 58.29 1uon h LEU 1053Cb 1.64 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 1uon h LEU 1053CO 0.19 0.83 -0.40 -0.33 -0.34 0.00 0.00 178.44 178.39 1uon h GLU 1054N 0.47 0.15 -0.22 1.25 4.39 -1.30 -2.17 114.58 117.14 1uon h GLU 1054Ca 0.06 -0.07 -0.20 0.00 0.34 0.00 0.00 59.36 59.49 1uon h GLU 1054Cb 0.76 -0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.41 1uon h GLU 1054CO 0.06 0.53 -0.65 0.00 -1.16 0.00 0.00 179.01 177.78 1uon h ALA 1055N 1.47 0.37 -0.42 3.43 0.00 -1.15 -3.22 119.26 119.75 1uon h ALA 1055Ca 0.01 -0.55 -0.08 0.00 0.00 0.00 0.00 54.91 54.28 1uon h ALA 1055Cb 0.77 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1uon h ALA 1055CO 0.06 0.66 -0.09 1.88 0.00 0.00 0.00 179.25 181.76 1uon h TYR 1056N 0.59 0.79 0.00 0.00 0.05 -1.04 -2.83 116.97 114.52 1uon h TYR 1056Ca -0.02 -0.13 0.00 0.00 0.05 0.00 0.00 58.73 58.63 1uon h TYR 1056Cb 1.27 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 38.81 1uon h TYR 1056CO 0.08 0.78 0.00 -0.07 -1.05 0.00 0.00 178.16 177.91 1uon h LEU 1057N 0.67 0.00 -0.54 3.88 3.38 -1.40 -0.76 115.31 120.53 1uon h LEU 1057Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1uon h LEU 1057Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1uon h LEU 1057CO 0.03 0.00 0.00 -0.07 0.09 0.00 0.00 178.44 178.49 1uon h LEU 1058N 0.00 0.00 -9.15 1.67 3.38 -1.56 -3.44 115.31 106.21 1uon h LEU 1058Ca 0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 1uon h LEU 1058Cb 0.05 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.69 1uon h LEU 1058CO 0.00 0.00 -0.18 -0.69 0.09 0.00 0.00 178.44 177.66 1uon s VAL 1059N -3.29 5.19 0.18 1.22 1.01 -0.29 -1.18 120.40 123.23 1uon s VAL 1059Ca 0.06 0.75 0.10 0.00 0.00 0.00 0.00 61.98 62.89 1uon s VAL 1059Cb 0.10 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1uon s VAL 1059CO 0.50 0.25 -0.19 -0.54 0.00 0.00 0.00 175.10 175.13 1uon s LYS 1060N 1.29 1.73 0.36 2.72 3.01 0.94 -4.99 119.74 124.79 1uon s LYS 1060Ca 0.20 -1.40 0.04 0.00 -1.01 0.00 0.00 55.97 53.80 1uon s LYS 1060Cb -0.15 -1.98 -0.03 0.00 -1.01 0.00 0.00 37.83 34.66 1uon s LYS 1060CO 0.08 0.42 0.17 -1.58 0.51 0.00 0.00 175.35 174.95 1uon s TRP 1061N -1.61 1.73 -0.12 3.18 0.52 -1.26 -1.04 118.94 120.33 1uon s TRP 1061Ca 0.22 -1.38 -0.01 0.00 0.02 0.00 0.00 56.10 54.95 1uon s TRP 1061Cb -0.09 -0.98 0.03 0.00 -1.15 0.00 0.00 33.47 31.29 1uon s TRP 1061CO 0.12 -0.47 -0.02 1.03 0.02 0.00 0.00 176.95 177.62 1uon s ARG 1062N -3.70 0.98 0.03 4.98 0.52 -0.04 -4.71 118.95 117.01 1uon s ARG 1062Ca 0.31 -0.17 -0.27 0.00 -0.52 0.00 0.00 55.73 55.08 1uon s ARG 1062Cb 0.03 -1.48 -0.04 0.00 0.52 0.00 0.00 34.95 33.97 1uon s ARG 1062CO 0.18 -0.37 0.86 1.41 0.02 0.00 0.00 175.30 177.40 1uon s MET 1063N 1.83 4.55 0.00 3.54 1.75 -1.26 -0.61 119.30 129.11 1uon s MET 1063Ca 0.03 1.23 0.00 0.00 -1.25 0.00 0.00 55.69 55.70 1uon s MET 1063Cb -0.14 -3.41 0.00 0.00 2.84 0.00 0.00 34.83 34.12 1uon s MET 1063CO -0.07 0.13 0.00 0.00 -0.65 0.00 0.00 175.02 174.43 1uon n GLU 1065N 0.00 2.33 -1.89 0.00 4.71 -1.26 -4.46 120.64 120.07 1uon n GLU 1065Ca 0.00 0.82 -0.39 0.00 -0.01 0.00 0.00 57.16 57.59 1uon n GLU 1065Cb 0.00 -2.51 0.02 0.00 -1.01 0.00 0.00 31.44 27.94 1uon n GLU 1065CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1uon s ALA 1066N -0.40 3.02 0.75 0.62 0.00 -1.26 -1.64 121.76 122.84 1uon s ALA 1066Ca 0.62 1.30 -0.11 0.00 0.00 0.00 0.00 51.96 53.78 1uon s ALA 1066Cb -0.57 -3.54 0.04 0.00 0.00 0.00 0.00 23.12 19.06 1uon s ALA 1066CO 0.54 -1.16 1.08 1.03 0.00 0.00 0.00 175.76 177.25 1uon s ARG 1067N -2.66 2.49 0.58 0.00 0.52 -0.59 -4.82 118.95 114.46 1uon s ARG 1067Ca 0.66 1.10 -0.09 0.00 -0.52 0.00 0.00 55.73 56.88 1uon s ARG 1067Cb -0.39 -1.93 -0.03 0.00 0.52 0.00 0.00 34.95 33.11 1uon s ARG 1067CO 0.49 -1.46 0.94 -1.21 0.02 0.00 0.00 175.30 174.08 1uon s GLU 1068N -4.95 3.50 0.32 3.54 0.41 -1.26 -4.94 118.70 115.32 1uon s GLU 1068Ca 0.60 0.50 -0.29 0.00 -0.41 0.00 0.00 54.97 55.37 1uon s GLU 1068Cb -0.16 -2.19 -0.12 0.00 -1.78 0.00 0.00 34.13 29.89 1uon s GLU 1068CO 0.56 -0.48 1.55 -2.30 -0.49 0.00 0.00 175.26 174.10 1uon n PRO 1069N -2.59 2.67 0.05 0.39 -0.02 -1.26 -4.75 135.00 129.49 1uon n PRO 1069Ca 0.04 0.94 0.11 0.00 -2.02 0.00 0.00 63.50 62.58 1uon n PRO 1069Cb 0.55 -2.70 -0.05 0.00 -0.02 0.00 0.00 33.50 31.28 1uon n PRO 1069CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1uon n SER 1070N 1.62 0.52 -3.85 2.55 7.64 -0.02 -4.93 113.62 117.15 1uon n SER 1070Ca 0.06 0.07 -0.10 0.00 1.01 0.00 0.00 58.87 59.91 1uon n SER 1070Cb 0.37 1.03 -0.08 0.00 -1.01 0.00 0.00 64.21 64.52 1uon n SER 1070CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1uon s VAL 1071N -3.36 0.12 0.17 0.44 -7.23 -1.22 -4.98 120.40 104.34 1uon s VAL 1071Ca -0.02 -1.00 -0.32 0.00 -1.81 0.00 0.00 61.98 58.84 1uon s VAL 1071Cb 0.12 -1.08 -0.11 0.00 0.56 0.00 0.00 36.38 35.87 1uon s VAL 1071CO 0.83 -0.55 1.74 -0.62 -0.31 0.00 0.00 175.10 176.19 1uon s ASP 1072N -2.38 6.42 0.00 4.85 -1.08 -1.26 -4.90 116.67 118.31 1uon s ASP 1072Ca -0.01 2.79 0.14 0.00 -0.52 0.00 0.00 52.55 54.95 1uon s ASP 1072Cb 0.01 -2.59 0.78 0.00 -1.46 0.00 0.00 42.92 39.67 1uon s ASP 1072CO -0.07 -0.96 1.28 0.18 0.52 0.00 0.00 175.17 176.12 1uon n LEU 1073N 4.58 0.00 -0.85 -1.34 4.32 -1.26 -1.68 117.00 120.77 1uon n LEU 1073Ca 0.16 0.08 0.09 0.00 -0.02 0.00 0.00 56.01 56.32 1uon n LEU 1073Cb 0.37 -0.08 0.15 0.00 -1.62 0.00 0.00 43.42 42.24 1uon n LEU 1073CO 0.64 -0.05 0.61 0.54 -1.22 0.00 0.00 177.39 177.92 1uon n ARG 1074N -1.08 2.10 -3.09 3.23 3.00 -1.26 -4.96 116.66 114.60 1uon n ARG 1074Ca 0.09 -1.95 -0.42 0.00 -0.01 0.00 0.00 57.85 55.56 1uon n ARG 1074Cb 0.06 -1.38 -0.06 0.00 0.00 0.00 0.00 32.46 31.08 1uon n ARG 1074CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1uon s LEU 1075N -1.25 4.29 -0.50 0.55 2.96 -0.67 -4.68 118.68 119.38 1uon s LEU 1075Ca 0.28 0.04 -0.28 0.00 -0.22 0.00 0.00 54.13 53.96 1uon s LEU 1075Cb 0.17 -2.81 0.00 0.00 0.50 0.00 0.00 46.19 44.05 1uon s LEU 1075CO 0.23 -0.67 1.57 -2.84 -1.32 0.00 0.00 176.35 173.33 1uon s PRO 1076N 2.81 3.23 -0.22 0.98 0.02 -1.26 -4.83 135.00 135.72 1uon s PRO 1076Ca 0.25 0.75 0.03 0.00 0.02 0.00 0.00 61.00 62.05 1uon s PRO 1076Cb -0.14 -4.17 -0.20 0.00 0.02 0.00 0.00 34.50 30.01 1uon s PRO 1076CO 0.16 -2.01 -0.05 1.28 -0.33 0.00 0.00 177.00 176.06 1uon n LEU 1077N 10.18 2.43 -3.64 -5.54 7.99 -1.26 -4.13 117.00 123.03 1uon n LEU 1077Ca 0.17 -0.04 -0.15 0.00 -0.01 0.00 0.00 56.01 55.98 1uon n LEU 1077Cb 0.49 -0.71 -0.14 0.00 -0.11 0.00 0.00 43.42 42.95 1uon n LEU 1077CO 0.70 0.84 -0.16 0.00 -1.51 0.00 0.00 177.39 177.26 1uon n ALA 1079N 5.34 1.24 0.00 0.00 0.00 -0.08 -0.22 120.51 126.79 1uon n ALA 1079Ca -0.06 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1uon n ALA 1079Cb 0.50 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1uon n ALA 1079CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uon n GLY 1080N 0.96 2.96 3.37 0.00 0.00 -1.26 -4.66 105.19 106.56 1uon n GLY 1080Ca 0.06 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.62 1uon n GLY 1080CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1uon s ILE 1081N -2.33 5.54 0.25 -0.61 -1.09 0.70 -4.58 121.20 119.09 1uon s ILE 1081Ca 0.00 -2.74 0.05 0.00 -2.23 0.00 0.00 60.65 55.74 1uon s ILE 1081Cb 0.00 -4.64 -0.02 0.00 -1.58 0.00 0.00 42.46 36.22 1uon s ILE 1081CO 0.00 -1.25 0.20 -0.90 -1.23 0.00 0.00 174.94 171.75 1uon n ASP 1082N 4.13 -0.33 0.00 3.58 5.68 -1.26 -4.52 116.55 123.82 1uon n ASP 1082Ca 0.23 -2.63 0.00 0.00 -0.50 0.00 0.00 54.79 51.88 1uon n ASP 1082Cb 0.44 1.19 0.00 0.00 -1.14 0.00 0.00 41.12 41.61 1uon n ASP 1082CO 0.00 0.00 0.00 -2.65 -1.33 0.00 0.00 177.20 173.22 1uon n PRO 1083N -0.50 0.00 0.00 0.11 -0.02 -1.26 -0.13 135.00 133.20 1uon n PRO 1083Ca 0.05 0.29 0.12 0.00 -2.02 0.00 0.00 63.50 61.93 1uon n PRO 1083Cb 0.45 -1.55 0.24 0.00 -0.02 0.00 0.00 33.50 32.63 1uon n PRO 1083CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1uon n LEU 1084N -1.26 0.99 -3.09 2.45 4.77 -1.26 -4.25 117.00 115.35 1uon n LEU 1084Ca 0.00 -0.27 -0.25 0.00 -0.03 0.00 0.00 56.01 55.46 1uon n LEU 1084Cb 0.05 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 40.96 1uon n LEU 1084CO 0.00 0.20 0.03 -3.20 -1.33 0.00 0.00 177.39 173.09 1uon n ASN 1085N -0.91 3.29 -0.13 -1.43 2.85 0.81 -5.02 115.26 114.73 1uon n ASN 1085Ca 0.09 -3.44 -0.03 0.00 -0.11 0.00 0.00 54.58 51.09 1uon n ASN 1085Cb 0.36 -0.60 -0.03 0.00 1.24 0.00 0.00 39.78 40.75 1uon n ASN 1085CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1uon n SER 1086N 0.16 -0.34 0.39 1.20 3.41 -1.26 -1.53 113.62 115.65 1uon n SER 1086Ca 0.29 0.78 -0.19 0.00 -0.26 0.00 0.00 58.87 59.50 1uon n SER 1086Cb 0.46 -0.18 -0.09 0.00 -0.26 0.00 0.00 64.21 64.14 1uon n SER 1086CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1uon h ASP 1087N 0.00 -1.09 -0.79 4.04 3.58 -1.94 0.17 116.42 120.40 1uon h ASP 1087Ca 0.05 0.06 0.11 0.00 0.42 0.00 0.00 57.03 57.67 1uon h ASP 1087Cb 0.13 0.32 -0.08 0.00 1.72 0.00 0.00 39.33 41.42 1uon h ASP 1087CO -0.30 -0.67 0.42 -0.65 -2.88 0.00 0.00 179.24 175.16 1uon h PRO 1088N -1.07 0.65 -0.27 0.28 0.11 -1.87 0.20 132.00 130.02 1uon h PRO 1088Ca -0.09 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.95 1uon h PRO 1088Cb 0.86 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.81 1uon h PRO 1088CO 0.09 0.43 0.06 0.35 -0.21 0.00 0.00 178.00 178.72 1uon h PHE 1089N 0.67 0.46 -0.19 0.65 3.57 -1.12 -0.91 116.94 120.08 1uon h PHE 1089Ca 0.40 -0.06 -0.09 0.00 3.53 0.00 0.00 57.97 61.75 1uon h PHE 1089Cb 0.45 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1uon h PHE 1089CO -0.09 0.52 -0.27 -0.07 -2.23 0.00 0.00 178.31 176.17 1uon h LEU 1090N 0.27 0.36 -0.18 0.59 3.38 -0.22 -0.99 115.31 118.53 1uon h LEU 1090Ca 0.09 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 1uon h LEU 1090Cb 0.30 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1uon h LEU 1090CO 0.00 0.63 -0.38 0.11 0.09 0.00 0.00 178.44 178.89 1uon h LYS 1091N 0.32 0.58 -0.19 1.13 1.79 -0.85 -1.47 116.57 117.88 1uon h LYS 1091Ca 0.05 -0.38 0.02 0.00 -2.18 0.00 0.00 60.65 58.15 1uon h LYS 1091Cb 0.65 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.33 1uon h LYS 1091CO 0.05 0.99 0.07 1.98 -1.08 0.00 0.00 179.45 181.46 1uon h MET 1092N 0.24 0.16 -0.29 3.15 4.05 -0.97 -0.77 114.93 120.49 1uon h MET 1092Ca 0.00 -0.01 -0.08 0.00 -0.28 0.00 0.00 59.70 59.33 1uon h MET 1092Cb 0.99 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.74 1uon h MET 1092CO 0.08 0.11 -0.12 0.28 0.23 0.00 0.00 176.91 177.49 1uon h VAL 1093N 0.17 1.29 0.25 -5.77 2.07 -1.18 0.61 116.25 113.69 1uon h VAL 1093Ca 0.08 -1.20 -0.34 0.00 0.82 0.00 0.00 66.70 66.06 1uon h VAL 1093Cb 0.04 1.45 0.04 0.00 -1.52 0.00 0.00 31.29 31.30 1uon h VAL 1093CO -0.07 0.38 -1.48 0.77 0.02 0.00 0.00 177.57 177.20 1uon h SER 1094N 0.36 0.85 0.40 0.57 4.64 -1.26 -0.01 113.55 119.09 1uon h SER 1094Ca 0.07 -0.90 -0.32 0.00 -0.47 0.00 0.00 61.79 60.17 1uon h SER 1094Cb 0.63 -0.28 0.02 0.00 -0.31 0.00 0.00 62.40 62.47 1uon h SER 1094CO 0.04 1.71 -1.44 0.58 -0.87 0.00 0.00 176.83 176.84 1uon h VAL 1095N 0.15 1.30 0.00 0.95 2.07 -1.25 -3.37 116.25 116.10 1uon h VAL 1095Ca -0.25 -2.81 0.00 0.00 0.82 0.00 0.00 66.70 64.45 1uon h VAL 1095Cb 2.17 2.95 0.00 0.00 -1.52 0.00 0.00 31.29 34.89 1uon h VAL 1095CO 0.28 0.84 0.00 0.61 0.02 0.00 0.00 177.57 179.32 1uon n GLY 1096N 1.67 0.61 3.80 2.17 0.00 0.21 -4.26 105.19 109.38 1uon n GLY 1096Ca -0.15 -1.59 -0.33 0.00 0.00 0.00 0.00 46.02 43.95 1uon n GLY 1096CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uon s PRO 1097N -4.06 3.46 -0.47 1.61 0.04 -1.25 -0.03 135.00 134.29 1uon s PRO 1097Ca 0.00 1.28 -0.29 0.00 0.04 0.00 0.00 61.00 62.04 1uon s PRO 1097Cb 0.00 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.51 1uon s PRO 1097CO 0.00 -0.70 1.37 1.41 0.04 0.00 0.00 177.00 179.12 1uon s MET 1098N -3.77 3.51 -0.18 4.56 -2.45 -0.30 -4.01 119.30 116.67 1uon s MET 1098Ca 0.65 0.73 0.14 0.00 -1.25 0.00 0.00 55.69 55.96 1uon s MET 1098Cb -0.17 -4.04 0.72 0.00 1.25 0.00 0.00 34.83 32.59 1uon s MET 1098CO 0.31 -1.65 1.61 1.28 1.05 0.00 0.00 175.02 177.61 1uon n LEU 1099N 8.91 4.99 -4.20 4.11 4.77 -1.26 -4.53 117.00 129.79 1uon n LEU 1099Ca 0.15 -2.53 -0.17 0.00 -0.03 0.00 0.00 56.01 53.42 1uon n LEU 1099Cb 0.49 -0.63 -0.11 0.00 -2.33 0.00 0.00 43.42 40.83 1uon n LEU 1099CO 0.71 0.65 -0.45 -1.58 -1.33 0.00 0.00 177.39 175.39 1uon s GLN 1100N -2.33 0.92 0.21 3.23 0.74 -1.26 -0.93 119.66 120.24 1uon s GLN 1100Ca 0.49 -1.12 -0.31 0.00 0.05 0.00 0.00 55.36 54.46 1uon s GLN 1100Cb 0.35 -0.80 -0.11 0.00 1.10 0.00 0.00 33.01 33.55 1uon s GLN 1100CO 0.17 0.16 1.66 0.45 -0.55 0.00 0.00 175.29 177.18 1uon s SER 1101N -2.20 6.43 0.48 6.67 0.15 -0.58 -4.87 113.70 119.78 1uon s SER 1101Ca 0.04 2.82 0.31 0.00 0.70 0.00 0.00 55.95 59.83 1uon s SER 1101Cb -0.06 -2.61 1.30 0.00 -1.71 0.00 0.00 66.02 62.94 1uon s SER 1101CO 0.02 -0.92 1.93 0.71 1.20 0.00 0.00 173.24 176.18 1uon h THR 1102N 3.78 0.00 0.18 6.45 1.35 -1.93 -1.52 112.91 121.21 1uon h THR 1102Ca -0.44 -0.44 -0.31 0.00 -0.55 0.00 0.00 66.41 64.68 1uon h THR 1102Cb 1.21 1.37 0.03 0.00 -1.73 0.00 0.00 68.15 69.03 1uon h THR 1102CO 0.91 0.00 -1.30 -0.09 -0.25 0.00 0.00 175.52 174.79 1uon h ARG 1103N 0.00 0.57 -0.07 4.72 9.65 -1.89 -2.63 114.38 124.73 1uon h ARG 1103Ca 0.00 -0.85 -0.03 0.00 -1.10 0.00 0.00 59.98 58.00 1uon h ARG 1103Cb 0.47 0.30 -0.00 0.00 -1.39 0.00 0.00 29.97 29.34 1uon h ARG 1103CO 0.00 1.40 -0.05 0.87 2.80 0.00 0.00 179.97 184.98 1uon h LYS 1104N 0.17 0.17 -0.07 0.20 1.79 -1.84 -1.85 116.57 115.13 1uon h LYS 1104Ca -0.21 -0.08 0.04 0.00 -2.18 0.00 0.00 60.65 58.22 1uon h LYS 1104Cb 1.99 -0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 32.59 1uon h LYS 1104CO 0.25 0.57 -0.24 -0.92 -1.08 0.00 0.00 179.45 178.03 1uon h TYR 1105N -0.24 -0.65 0.00 -1.35 3.20 -1.38 -2.30 116.97 114.24 1uon h TYR 1105Ca 0.01 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 1uon h TYR 1105Cb 0.53 0.30 -0.00 0.00 1.54 0.00 0.00 36.73 39.10 1uon h TYR 1105CO 0.08 -0.33 -0.01 0.74 -1.64 0.00 0.00 178.16 177.00 1uon h PHE 1106N -0.34 0.00 0.00 -3.82 0.04 -1.51 -2.16 116.94 109.15 1uon h PHE 1106Ca 0.08 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.85 1uon h PHE 1106Cb 0.46 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.61 1uon h PHE 1106CO -0.32 0.01 0.00 0.00 -0.60 0.00 0.00 178.31 177.41 1uon n ALA 1107N -2.10 1.62 0.38 2.45 0.00 -0.70 -1.56 120.51 120.61 1uon n ALA 1107Ca 0.01 0.09 0.08 0.00 0.00 0.00 0.00 53.44 53.62 1uon n ALA 1107Cb 0.33 -1.38 0.22 0.00 0.00 0.00 0.00 19.45 18.61 1uon n ALA 1107CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1uon n GLN 1108N -2.24 2.23 -0.26 0.00 1.13 -0.81 -4.03 117.38 113.40 1uon n GLN 1108Ca 0.02 -1.80 0.07 0.00 -1.94 0.00 0.00 57.00 53.35 1uon n GLN 1108Cb 0.22 -1.42 0.18 0.00 0.11 0.00 0.00 30.24 29.33 1uon n GLN 1108CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1uon n THR 1109N 0.91 1.71 -4.06 5.09 -2.24 -0.60 -4.98 114.28 110.12 1uon n THR 1109Ca 0.17 -1.59 -0.13 0.00 -2.27 0.00 0.00 64.05 60.22 1uon n THR 1109Cb 0.45 0.05 -0.12 0.00 -2.10 0.00 0.00 70.33 68.61 1uon n THR 1109CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1uon s LEU 1110N -2.11 2.22 0.15 3.22 1.43 -1.26 -4.56 118.68 117.77 1uon s LEU 1110Ca 0.30 -0.48 0.14 0.00 -1.03 0.00 0.00 54.13 53.06 1uon s LEU 1110Cb 0.23 -0.15 -0.08 0.00 0.03 0.00 0.00 46.19 46.22 1uon s LEU 1110CO 0.09 -0.18 1.14 -0.26 0.23 0.00 0.00 176.35 177.37 1uon h PHE 1111N 4.72 0.00 -3.44 0.29 0.04 -1.94 -3.45 116.94 113.16 1uon h PHE 1111Ca -0.34 0.00 -0.47 0.00 2.80 0.00 0.00 57.97 59.96 1uon h PHE 1111Cb 1.20 0.00 -0.34 0.00 2.20 0.00 0.00 35.95 39.02 1uon h PHE 1111CO 0.62 0.67 -0.80 -1.64 -0.60 0.00 0.00 178.31 176.56 1uon s MET 1112N -2.87 1.30 0.04 1.51 -1.94 -1.26 -5.05 119.30 111.04 1uon s MET 1112Ca 0.00 -0.27 -0.16 0.00 -1.71 0.00 0.00 55.69 53.55 1uon s MET 1112Cb 0.08 -1.14 -0.31 0.00 2.01 0.00 0.00 34.83 35.47 1uon s MET 1112CO 0.79 -0.02 1.06 0.00 -0.01 0.00 0.00 175.02 176.84 1uon h ALA 1113N 7.07 -0.06 -2.15 3.03 0.00 -1.93 -3.48 119.26 121.74 1uon h ALA 1113Ca -0.34 -0.79 -0.43 0.00 0.00 0.00 0.00 54.91 53.35 1uon h ALA 1113Cb 1.17 0.13 -0.14 0.00 0.00 0.00 0.00 17.79 18.95 1uon h ALA 1113CO 0.47 0.67 -0.67 0.15 0.00 0.00 0.00 179.25 179.87 1uon s LYS 1114N -2.85 1.42 0.31 0.00 1.02 -1.26 -4.97 119.74 113.40 1uon s LYS 1114Ca -0.10 -1.71 -0.19 0.00 0.02 0.00 0.00 55.97 53.99 1uon s LYS 1114Cb 0.05 -0.87 0.04 0.00 -0.52 0.00 0.00 37.83 36.53 1uon s LYS 1114CO 0.93 -0.02 0.78 -0.08 -0.92 0.00 0.00 175.35 176.04 1uon s THR 1115N -3.22 0.00 0.29 2.17 -1.32 -1.26 -5.03 115.64 107.27 1uon s THR 1115Ca 0.28 -0.96 -0.30 0.00 -1.21 0.00 0.00 61.69 59.50 1uon s THR 1115Cb 0.04 -2.39 -0.12 0.00 -1.51 0.00 0.00 72.50 68.52 1uon s THR 1115CO 0.10 0.00 1.54 0.52 -2.21 0.00 0.00 174.62 174.57 1uon n VAL 1116N -0.50 1.09 -1.70 5.08 0.31 -1.26 -4.85 118.33 116.51 1uon n VAL 1116Ca -0.06 -0.27 -0.42 0.00 -0.01 0.00 0.00 64.34 63.58 1uon n VAL 1116Cb 0.59 -1.85 -0.03 0.00 -0.91 0.00 0.00 33.84 31.65 1uon n VAL 1116CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1uon s SER 1117N 0.39 6.41 0.00 4.52 0.15 -1.26 -1.65 113.70 122.25 1uon s SER 1117Ca 0.64 2.78 0.00 0.00 0.70 0.00 0.00 55.95 60.07 1uon s SER 1117Cb -0.53 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.21 1uon s SER 1117CO 0.50 -1.02 0.00 0.61 1.20 0.00 0.00 173.24 174.53 1uon n GLY 1118N 4.25 1.95 3.95 9.45 0.00 -1.26 -4.95 105.19 118.58 1uon n GLY 1118Ca 0.18 -0.33 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 1uon n GLY 1118CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uon s LEU 1119N 0.00 4.23 -0.28 0.99 1.43 -0.66 -4.91 118.68 119.48 1uon s LEU 1119Ca 0.00 0.23 -0.08 0.00 -1.03 0.00 0.00 54.13 53.25 1uon s LEU 1119Cb 0.00 -3.03 -0.01 0.00 0.03 0.00 0.00 46.19 43.18 1uon s LEU 1119CO 0.00 -0.11 0.10 -0.62 0.23 0.00 0.00 176.35 175.95 1uon s ASP 1120N -3.78 5.24 0.24 2.29 -1.08 -1.26 -4.86 116.67 113.46 1uon s ASP 1120Ca 0.36 -0.44 -0.05 0.00 -0.52 0.00 0.00 52.55 51.91 1uon s ASP 1120Cb -0.10 -1.93 0.37 0.00 -1.46 0.00 0.00 42.92 39.80 1uon s ASP 1120CO 0.31 -0.12 1.83 0.58 0.52 0.00 0.00 175.17 178.28 1uon h VAL 1121N 5.67 0.96 0.00 1.11 2.07 -1.93 0.14 116.25 124.27 1uon h VAL 1121Ca -0.35 -0.30 -0.06 0.00 0.82 0.00 0.00 66.70 66.81 1uon h VAL 1121Cb 1.15 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1uon h VAL 1121CO 0.60 0.16 -0.29 0.78 0.02 0.00 0.00 177.57 178.83 1uon h ASN 1122N 0.87 0.00 -0.11 0.57 2.35 -1.93 -1.49 115.58 115.84 1uon h ASN 1122Ca 0.39 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 56.04 1uon h ASN 1122Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1uon h ASN 1122CO -0.22 0.29 -0.31 0.00 -1.65 0.00 0.00 177.43 175.55 1uon h ALA 1123N 1.71 0.18 -0.90 -0.83 0.00 -1.24 -1.90 119.26 116.28 1uon h ALA 1123Ca -0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1uon h ALA 1123Cb 0.61 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1uon h ALA 1123CO 0.04 0.22 0.52 0.82 0.00 0.00 0.00 179.25 180.84 1uon h ILE 1124N -0.04 1.25 -0.36 0.00 2.04 -0.58 -1.02 117.51 118.80 1uon h ILE 1124Ca -0.01 -0.59 -0.08 0.00 1.00 0.00 0.00 64.86 65.18 1uon h ILE 1124Cb 0.92 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1uon h ILE 1124CO 0.07 0.28 -0.12 -0.78 0.00 0.00 0.00 178.15 177.59 1uon h ASP 1125N 1.25 0.62 -0.02 1.72 3.58 -1.26 -2.40 116.42 119.92 1uon h ASP 1125Ca 0.32 -0.18 -0.17 0.00 0.42 0.00 0.00 57.03 57.42 1uon h ASP 1125Cb -0.01 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 40.86 1uon h ASP 1125CO -0.06 0.78 -0.59 -1.28 -2.88 0.00 0.00 179.24 175.21 1uon h SER 1126N 0.58 0.70 -0.35 2.28 0.87 -0.61 -2.42 113.55 114.60 1uon h SER 1126Ca 0.10 -0.39 -0.07 0.00 -1.23 0.00 0.00 61.79 60.20 1uon h SER 1126Cb 0.55 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 1uon h SER 1126CO 0.03 1.13 -0.04 0.00 -0.53 0.00 0.00 176.83 177.43 1uon h ALA 1127N 0.88 0.48 -0.29 6.23 0.00 -1.04 0.41 119.26 125.92 1uon h ALA 1127Ca -0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1uon h ALA 1127Cb 1.16 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1uon h ALA 1127CO 0.11 0.28 0.14 -0.07 0.00 0.00 0.00 179.25 179.72 1uon h LEU 1128N 0.45 0.38 -0.58 0.00 3.38 -1.43 0.23 115.31 117.73 1uon h LEU 1128Ca 0.09 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 1uon h LEU 1128Cb 0.52 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1uon h LEU 1128CO 0.03 0.41 -0.28 -0.07 0.09 0.00 0.00 178.44 178.61 1uon h LEU 1129N 0.33 0.85 -0.12 1.67 3.38 -1.39 -2.00 115.31 118.03 1uon h LEU 1129Ca 0.10 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1uon h LEU 1129Cb 0.13 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1uon h LEU 1129CO -0.01 1.08 0.05 0.03 0.09 0.00 0.00 178.44 179.68 1uon h ARG 1130N 0.70 0.18 -0.69 1.13 3.08 -0.69 0.19 114.38 118.28 1uon h ARG 1130Ca 0.08 -0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.20 1uon h ARG 1130Cb 0.83 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.77 1uon h ARG 1130CO 0.07 0.26 0.32 -0.07 -1.07 0.00 0.00 179.97 179.49 1uon h LEU 1131N 0.06 0.40 -0.23 3.04 3.38 -0.86 0.42 115.31 121.51 1uon h LEU 1131Ca 0.04 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1uon h LEU 1131Cb 0.14 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1uon h LEU 1131CO -0.00 0.22 0.12 -0.09 0.09 0.00 0.00 178.44 178.78 1uon h ARG 1132N 0.55 0.33 0.00 1.13 2.43 -0.91 -0.10 114.38 117.80 1uon h ARG 1132Ca 0.35 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.43 1uon h ARG 1132Cb 0.40 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1uon h ARG 1132CO -0.29 0.31 -0.22 1.15 -1.51 0.00 0.00 179.97 179.41 1uon h THR 1133N 0.26 1.00 -0.24 0.20 2.02 0.62 -2.29 112.91 114.48 1uon h THR 1133Ca 0.08 -0.81 0.00 0.00 0.77 0.00 0.00 66.41 66.45 1uon h THR 1133Cb 0.08 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1uon h THR 1133CO -0.01 0.22 0.00 0.18 0.37 0.00 0.00 175.52 176.28 1uon n LEU 1134N -4.03 2.01 0.00 2.58 4.77 0.13 -4.88 117.00 117.58 1uon n LEU 1134Ca -0.02 -1.01 0.00 0.00 -0.03 0.00 0.00 56.01 54.95 1uon n LEU 1134Cb 0.30 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1uon n LEU 1134CO 0.35 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 1uon n GLY 1135N 0.59 0.75 3.62 -0.72 0.00 -0.86 -5.02 105.19 103.56 1uon n GLY 1135Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 1uon n GLY 1135CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uon n ALA 1136N 1.00 -0.08 -2.06 4.61 0.00 -0.08 -4.98 120.51 118.91 1uon n ALA 1136Ca 0.00 -0.15 -0.32 0.00 0.00 0.00 0.00 53.44 52.97 1uon n ALA 1136Cb 0.01 -2.13 -0.05 0.00 0.00 0.00 0.00 19.45 17.28 1uon n ALA 1136CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1uon s ASP 1137N -1.57 6.73 0.27 0.00 2.15 -1.26 -4.73 116.67 118.25 1uon s ASP 1137Ca 0.74 1.35 -0.04 0.00 0.43 0.00 0.00 52.55 55.03 1uon s ASP 1137Cb -0.36 -2.41 0.54 0.00 -0.30 0.00 0.00 42.92 40.39 1uon s ASP 1137CO 0.49 -0.32 1.61 0.50 -0.17 0.00 0.00 175.17 177.28 1uon h LYS 1138N 1.82 0.06 -0.30 4.34 3.64 -1.95 0.55 116.57 124.73 1uon h LYS 1138Ca -0.48 -0.00 0.09 0.00 -1.27 0.00 0.00 60.65 58.99 1uon h LYS 1138Cb 1.18 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 1uon h LYS 1138CO 0.64 0.04 0.53 0.87 -2.27 0.00 0.00 179.45 179.25 1uon h LYS 1139N 0.06 0.00 0.05 1.90 1.57 -1.96 0.50 116.57 118.69 1uon h LYS 1139Ca 0.48 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 59.02 1uon h LYS 1139Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.19 1uon h LYS 1139CO -0.79 0.00 -1.05 0.00 -0.57 0.00 0.00 179.45 177.03 1uon h ALA 1140N 1.23 0.28 -0.01 3.86 0.00 -0.14 -0.76 119.26 123.71 1uon h ALA 1140Ca 0.14 -0.78 -0.21 0.00 0.00 0.00 0.00 54.91 54.06 1uon h ALA 1140Cb 1.20 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1uon h ALA 1140CO -0.00 0.89 -0.90 -0.07 0.00 0.00 0.00 179.25 179.17 1uon h LEU 1141N 0.15 0.43 -1.24 0.00 4.07 -0.10 -1.44 115.31 117.19 1uon h LEU 1141Ca -0.10 -0.34 -0.05 0.00 0.08 0.00 0.00 57.88 57.47 1uon h LEU 1141Cb 1.72 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 43.32 1uon h LEU 1141CO 0.18 1.13 -0.03 0.74 -1.08 0.00 0.00 178.44 179.38 1uon h THR 1142N 0.19 1.20 -0.20 0.22 2.02 -1.00 -0.62 112.91 114.71 1uon h THR 1142Ca -0.06 -0.81 -0.08 0.00 0.77 0.00 0.00 66.41 66.24 1uon h THR 1142Cb 1.52 1.00 -0.00 0.00 -1.74 0.00 0.00 68.15 68.93 1uon h THR 1142CO 0.15 0.27 -0.17 0.00 0.37 0.00 0.00 175.52 176.14 1uon h ALA 1143N 1.51 0.29 -0.62 6.16 0.00 -0.87 -2.11 119.26 123.63 1uon h ALA 1143Ca 0.10 -0.33 0.06 0.00 0.00 0.00 0.00 54.91 54.73 1uon h ALA 1143Cb 0.35 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1uon h ALA 1143CO 0.01 0.20 0.32 0.37 0.00 0.00 0.00 179.25 180.15 1uon h GLN 1144N 0.15 0.59 -0.40 0.00 5.75 -0.69 -1.65 115.11 118.85 1uon h GLN 1144Ca 0.04 -0.04 -0.07 0.00 -0.15 0.00 0.00 58.65 58.43 1uon h GLN 1144Cb 0.70 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 29.10 1uon h GLN 1144CO 0.04 0.39 -0.05 -0.07 -2.65 0.00 0.00 178.83 176.49 1uon h LEU 1145N 0.60 0.65 -0.79 -2.39 3.38 -1.07 -2.68 115.31 113.01 1uon h LEU 1145Ca 0.28 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 1uon h LEU 1145Cb 0.20 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1uon h LEU 1145CO -0.19 0.75 0.03 -0.07 0.09 0.00 0.00 178.44 179.05 1uon h LEU 1146N 0.63 0.91 -1.57 1.67 3.38 -0.63 -2.38 115.31 117.31 1uon h LEU 1146Ca 0.12 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1uon h LEU 1146Cb 0.47 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1uon h LEU 1146CO 0.02 0.95 0.00 0.24 0.09 0.00 0.00 178.44 179.75 1uon h MET 1147N 0.88 0.00 -0.59 1.13 2.86 -0.99 -2.20 114.93 116.02 1uon h MET 1147Ca 0.17 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1uon h MET 1147Cb 0.47 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.13 1uon h MET 1147CO 0.02 0.00 0.00 1.33 1.06 0.00 0.00 176.91 179.32 1uon n VAL 1148N -2.80 1.54 0.00 -2.22 0.24 -1.04 -0.72 118.33 113.34 1uon n VAL 1148Ca 0.00 -1.18 0.00 0.00 -2.04 0.00 0.00 64.34 61.12 1uon n VAL 1148Cb 0.22 0.25 0.00 0.00 -1.47 0.00 0.00 33.84 32.83 1uon n VAL 1148CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1uon n GLY 1149N 1.02 0.59 3.81 7.63 0.00 -0.83 -4.85 105.19 112.56 1uon n GLY 1149Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 1uon n GLY 1149CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uon s LEU 1150N 0.00 3.85 0.40 0.99 1.02 -0.92 -4.59 118.68 119.42 1uon s LEU 1150Ca 0.00 1.81 -0.24 0.00 0.02 0.00 0.00 54.13 55.72 1uon s LEU 1150Cb 0.00 -4.55 -0.09 0.00 0.02 0.00 0.00 46.19 41.57 1uon s LEU 1150CO 0.00 -0.63 1.07 -1.58 0.02 0.00 0.00 176.35 175.23 1uon s GLN 1151N -3.30 4.15 0.32 1.70 -0.44 -1.26 -4.46 119.66 116.36 1uon s GLN 1151Ca 0.65 1.57 0.09 0.00 -2.50 0.00 0.00 55.36 55.17 1uon s GLN 1151Cb -0.13 -2.57 0.90 0.00 -1.64 0.00 0.00 33.01 29.57 1uon s GLN 1151CO 0.19 -0.17 1.71 0.93 0.50 0.00 0.00 175.29 178.44 1uon h GLU 1152N 2.53 0.47 -0.02 1.67 5.08 -1.96 0.85 114.58 123.20 1uon h GLU 1152Ca -0.48 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1uon h GLU 1152Cb 1.22 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 1uon h GLU 1152CO 0.62 0.31 0.01 0.77 -1.00 0.00 0.00 179.01 179.72 1uon h SER 1153N 0.48 0.02 -0.48 1.42 0.02 -1.99 0.14 113.55 113.17 1uon h SER 1153Ca 0.65 -0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 61.46 1uon h SER 1153Cb 1.30 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.82 1uon h SER 1153CO -0.52 0.06 -0.07 -0.33 -1.14 0.00 0.00 176.83 174.84 1uon h GLU 1154N -0.02 0.88 0.26 3.45 5.08 -1.69 -1.93 114.58 120.61 1uon h GLU 1154Ca 0.01 -0.32 0.01 0.00 -1.00 0.00 0.00 59.36 58.06 1uon h GLU 1154Cb 0.04 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1uon h GLU 1154CO -0.00 0.96 -0.33 0.00 -1.00 0.00 0.00 179.01 178.63 1uon h ALA 1155N 0.90 -0.67 -0.79 3.43 0.00 -0.64 0.19 119.26 121.68 1uon h ALA 1155Ca 0.13 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1uon h ALA 1155Cb 0.60 0.51 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 1uon h ALA 1155CO 0.04 -0.92 0.52 0.22 0.00 0.00 0.00 179.25 179.11 1uon h ASP 1156N -0.65 0.88 0.10 0.00 3.58 -0.71 0.14 116.42 119.76 1uon h ASP 1156Ca -0.00 -0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.43 1uon h ASP 1156Cb 0.62 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.45 1uon h ASP 1156CO -0.11 0.62 -0.05 0.00 -2.88 0.00 0.00 179.24 176.83 1uon h ALA 1157N 1.52 -0.13 -0.70 -0.78 0.00 -0.92 -0.07 119.26 118.17 1uon h ALA 1157Ca 0.30 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1uon h ALA 1157Cb -0.05 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1uon h ALA 1157CO -0.08 -0.35 0.21 1.25 0.00 0.00 0.00 179.25 180.28 1uon h LEU 1158N -0.57 1.01 0.47 0.00 5.85 -0.47 0.11 115.31 121.71 1uon h LEU 1158Ca -0.01 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 1uon h LEU 1158Cb 0.47 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1uon h LEU 1158CO 0.02 0.95 -0.30 0.00 -0.34 0.00 0.00 178.44 178.77 1uon h ALA 1159N 1.18 -0.74 -0.08 1.25 0.00 -0.71 0.33 119.26 120.49 1uon h ALA 1159Ca 0.23 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1uon h ALA 1159Cb 0.31 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1uon h ALA 1159CO -0.01 -0.93 0.06 0.78 0.00 0.00 0.00 179.25 179.15 1uon h GLY 1160N -0.74 0.00 0.87 0.00 0.00 -0.80 -1.45 103.07 100.96 1uon h GLY 1160Ca -0.05 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.14 1uon h GLY 1160CO 0.05 0.00 -0.44 1.70 0.00 0.00 0.00 176.54 177.85 1uon h LYS 1161N 0.00 0.53 -0.74 4.80 3.64 0.01 -3.24 116.57 121.57 1uon h LYS 1161Ca 0.04 -0.40 -0.03 0.00 -1.27 0.00 0.00 60.65 59.00 1uon h LYS 1161Cb 0.16 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 1uon h LYS 1161CO -0.00 1.02 0.36 0.82 -2.27 0.00 0.00 179.45 179.37 1uon h ILE 1162N 0.15 1.23 -0.91 2.00 2.04 0.55 -2.82 117.51 119.75 1uon h ILE 1162Ca -0.02 -0.65 0.03 0.00 1.00 0.00 0.00 64.86 65.22 1uon h ILE 1162Cb 1.07 0.28 -0.05 0.00 -0.74 0.00 0.00 36.82 37.38 1uon h ILE 1162CO 0.09 0.28 0.59 0.24 0.00 0.00 0.00 178.15 179.35 1uon h MET 1163N 1.05 1.12 -0.31 2.37 2.86 -1.33 -2.93 114.93 117.76 1uon h MET 1163Ca 0.26 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1uon h MET 1163Cb 0.10 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 31.51 1uon h MET 1163CO -0.03 0.74 0.00 1.28 1.06 0.00 0.00 176.91 179.96 1uon n LEU 1164N -4.51 2.97 -4.80 1.22 4.77 -1.16 -4.98 117.00 110.51 1uon n LEU 1164Ca 0.12 -1.26 -0.36 0.00 -0.03 0.00 0.00 56.01 54.48 1uon n LEU 1164Cb 0.09 -0.20 -0.06 0.00 -2.33 0.00 0.00 43.42 40.92 1uon n LEU 1164CO 0.34 0.63 0.54 -1.58 -1.33 0.00 0.00 177.39 175.99 1uon s GLN 1165N -1.60 4.40 -0.65 3.23 0.74 -1.07 -5.00 119.66 119.70 1uon s GLN 1165Ca 0.36 1.10 -0.21 0.00 0.05 0.00 0.00 55.36 56.66 1uon s GLN 1165Cb 0.21 -2.79 0.09 0.00 1.10 0.00 0.00 33.01 31.62 1uon s GLN 1165CO 0.30 0.31 0.88 -0.51 -0.55 0.00 0.00 175.29 175.72 1uon s ASP 1166N -1.68 6.21 0.09 6.67 1.01 -1.26 -5.02 116.67 122.69 1uon s ASP 1166Ca 0.48 -1.24 -0.30 0.00 0.71 0.00 0.00 52.55 52.20 1uon s ASP 1166Cb -0.17 -2.37 -0.06 0.00 1.01 0.00 0.00 42.92 41.33 1uon s ASP 1166CO 0.22 -1.29 1.06 -0.69 0.21 0.00 0.00 175.17 174.68 1uon s VAL 1167N 3.44 4.29 0.67 -1.27 1.01 -1.26 -5.03 120.40 122.25 1uon s VAL 1167Ca 0.19 1.80 -0.15 0.00 0.00 0.00 0.00 61.98 63.81 1uon s VAL 1167Cb -0.19 -4.15 0.01 0.00 0.00 0.00 0.00 36.38 32.05 1uon s VAL 1167CO 0.07 0.22 1.13 0.54 0.00 0.00 0.00 175.10 177.07 1uon s ASN 1168N 0.43 4.91 0.21 3.32 2.20 -1.26 -4.75 114.94 120.00 1uon s ASN 1168Ca 0.51 2.08 -0.20 0.00 -0.94 0.00 0.00 52.86 54.32 1uon s ASN 1168Cb -0.26 -2.56 0.17 0.00 -2.00 0.00 0.00 41.25 36.60 1uon s ASN 1168CO 0.31 -1.77 1.57 0.74 -2.94 0.00 0.00 177.10 175.01 1uon h THR 1169N -0.03 0.09 -0.41 0.54 2.02 -1.96 0.33 112.91 113.50 1uon h THR 1169Ca -0.47 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.69 1uon h THR 1169Cb 1.26 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 1uon h THR 1169CO 0.53 0.00 0.17 0.58 0.37 0.00 0.00 175.52 177.17 1uon h VAL 1170N -0.09 1.19 -0.27 3.16 2.07 -1.92 -1.08 116.25 119.31 1uon h VAL 1170Ca 0.28 -0.57 -0.15 0.00 0.82 0.00 0.00 66.70 67.08 1uon h VAL 1170Cb 0.57 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1uon h VAL 1170CO -0.83 0.21 -0.44 -0.61 0.02 0.00 0.00 177.57 175.92 1uon h GLN 1171N 0.51 0.69 -0.18 1.57 4.15 -1.66 -3.13 115.11 117.06 1uon h GLN 1171Ca 0.14 -0.38 -0.14 0.00 0.77 0.00 0.00 58.65 59.04 1uon h GLN 1171Cb 0.17 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 1uon h GLN 1171CO -0.01 0.99 -0.47 1.25 -1.93 0.00 0.00 178.83 178.66 1uon h LEU 1172N 0.55 0.50 -2.12 -2.39 5.85 -0.86 -3.01 115.31 113.84 1uon h LEU 1172Ca 0.04 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.52 1uon h LEU 1172Cb 0.99 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.88 1uon h LEU 1172CO 0.09 0.89 0.00 0.00 -0.34 0.00 0.00 178.44 179.09 1uon h ALA 1173N 1.12 1.00 0.00 1.25 0.00 -1.13 -1.53 119.26 119.98 1uon h ALA 1173Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1uon h ALA 1173Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1uon h ALA 1173CO 0.08 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.33 1uon h ARG 1174N 0.00 0.00 0.00 0.00 3.08 -1.62 -2.15 114.38 113.69 1uon h ARG 1174Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1uon h ARG 1174Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1uon h ARG 1174CO 0.00 0.00 0.00 1.33 -1.07 0.00 0.00 179.97 180.23 1uon n VAL 1175N -2.65 1.11 -1.77 2.04 0.24 -0.57 -1.11 118.33 115.62 1uon n VAL 1175Ca 0.01 0.71 0.04 0.00 -2.04 0.00 0.00 64.34 63.06 1uon n VAL 1175Cb 0.25 -1.70 0.07 0.00 -1.47 0.00 0.00 33.84 30.98 1uon n VAL 1175CO 0.00 0.00 0.00 0.55 -2.14 0.00 0.00 176.83 175.24 1uon n VAL 1176N -2.20 0.78 -3.50 3.34 3.14 -0.97 -4.85 118.33 114.07 1uon n VAL 1176Ca -0.01 -1.15 -0.24 0.00 -2.96 0.00 0.00 64.34 59.98 1uon n VAL 1176Cb 0.04 0.29 0.07 0.00 -1.06 0.00 0.00 33.84 33.17 1uon n VAL 1176CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1uon n ASN 1177N -0.46 -6.33 -4.70 6.55 3.02 -0.27 -4.99 115.26 108.08 1uon n ASN 1177Ca 0.08 -0.50 -0.36 0.00 -0.03 0.00 0.00 54.58 53.77 1uon n ASN 1177Cb 0.75 -5.00 -0.09 0.00 -0.61 0.00 0.00 39.78 34.83 1uon n ASN 1177CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1uon s LEU 1178N -7.21 4.17 0.11 3.41 1.43 -0.85 -4.99 118.68 114.75 1uon s LEU 1178Ca 0.54 0.22 0.08 0.00 -1.03 0.00 0.00 54.13 53.94 1uon s LEU 1178Cb -0.24 -2.14 -0.04 0.00 0.03 0.00 0.00 46.19 43.80 1uon s LEU 1178CO 0.67 0.11 -0.21 0.00 0.23 0.00 0.00 176.35 177.14 1uon s ALA 1179N 0.72 1.87 0.11 4.21 0.00 -1.26 -4.06 121.76 123.35 1uon s ALA 1179Ca 0.09 -1.28 -0.31 0.00 0.00 0.00 0.00 51.96 50.46 1uon s ALA 1179Cb -0.12 -0.26 -0.09 0.00 0.00 0.00 0.00 23.12 22.65 1uon s ALA 1179CO 0.02 0.37 1.64 0.08 0.00 0.00 0.00 175.76 177.88 1uon s VAL 1180N -1.19 2.82 0.50 0.00 1.01 -1.26 -4.93 120.40 117.35 1uon s VAL 1180Ca 0.08 0.42 -0.23 0.00 0.00 0.00 0.00 61.98 62.24 1uon s VAL 1180Cb -0.10 -3.27 -0.06 0.00 0.00 0.00 0.00 36.38 32.95 1uon s VAL 1180CO 0.05 0.01 1.37 -2.84 0.00 0.00 0.00 175.10 173.69 1uon s PRO 1181N 2.12 3.42 0.21 2.72 0.02 -1.26 -4.91 135.00 137.32 1uon s PRO 1181Ca 0.73 2.28 -0.08 0.00 0.02 0.00 0.00 61.00 63.95 1uon s PRO 1181Cb -0.42 -2.44 0.17 0.00 0.02 0.00 0.00 34.50 31.82 1uon s PRO 1181CO 0.32 -0.98 1.81 -0.44 -0.33 0.00 0.00 177.00 177.38 1uon h ASP 1182N 1.88 1.06 0.10 2.53 5.19 -2.00 -2.01 116.42 123.18 1uon h ASP 1182Ca -0.51 -0.14 -0.00 0.00 -0.62 0.00 0.00 57.03 55.76 1uon h ASP 1182Cb 1.28 -0.27 -0.00 0.00 0.18 0.00 0.00 39.33 40.52 1uon h ASP 1182CO 0.59 0.90 -0.01 0.71 -3.12 0.00 0.00 179.24 178.31 1uon h THR 1183N 1.15 0.23 0.00 0.35 1.35 -1.94 -1.86 112.91 112.19 1uon h THR 1183Ca 0.28 -0.09 -0.05 0.00 -0.55 0.00 0.00 66.41 66.00 1uon h THR 1183Cb 0.13 1.07 -0.01 0.00 -1.73 0.00 0.00 68.15 67.61 1uon h THR 1183CO -0.03 0.01 -0.35 -0.50 -0.25 0.00 0.00 175.52 174.40 1uon h TRP 1184N 0.00 0.00 -1.46 4.73 4.06 -1.72 -3.38 115.95 118.18 1uon h TRP 1184Ca -0.00 0.00 0.43 0.00 2.06 0.00 0.00 58.89 61.38 1uon h TRP 1184Cb 0.07 0.00 -0.08 0.00 -1.00 0.00 0.00 29.16 28.15 1uon h TRP 1184CO 0.00 0.21 1.03 0.52 -3.56 0.00 0.00 178.44 176.63 1uon h MET 1185N 0.00 0.05 -0.01 0.49 2.86 -1.28 0.24 114.93 117.27 1uon h MET 1185Ca -0.01 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1uon h MET 1185Cb 1.17 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.82 1uon h MET 1185CO 0.03 0.03 0.00 -1.13 1.06 0.00 0.00 176.91 176.90 1uon n SER 1186N -4.24 0.70 -4.70 1.22 3.41 -1.26 -4.67 113.62 104.08 1uon n SER 1186Ca 0.34 -1.26 -0.24 0.00 -0.26 0.00 0.00 58.87 57.44 1uon n SER 1186Cb 1.51 -0.01 -0.08 0.00 -0.26 0.00 0.00 64.21 65.38 1uon n SER 1186CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1uon s LEU 1187N -1.95 3.09 -1.27 1.04 1.43 0.84 -1.15 118.68 120.71 1uon s LEU 1187Ca 0.42 -1.00 -0.12 0.00 -1.03 0.00 0.00 54.13 52.39 1uon s LEU 1187Cb 0.21 -1.44 0.15 0.00 0.03 0.00 0.00 46.19 45.13 1uon s LEU 1187CO 0.34 -0.39 1.71 -0.67 0.23 0.00 0.00 176.35 177.57 1uon n ASP 1188N -1.11 5.02 0.18 2.29 2.03 0.95 -3.90 116.55 122.01 1uon n ASP 1188Ca -0.03 -3.01 0.05 0.00 0.52 0.00 0.00 54.79 52.32 1uon n ASP 1188Cb 0.63 -1.56 0.31 0.00 -0.72 0.00 0.00 41.12 39.78 1uon n ASP 1188CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 1uon h PHE 1189N 6.54 0.00 -0.51 -0.67 -5.15 -1.87 -3.04 116.94 112.24 1uon h PHE 1189Ca 0.38 0.00 0.01 0.00 -0.20 0.00 0.00 57.97 58.16 1uon h PHE 1189Cb 0.76 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 36.90 1uon h PHE 1189CO 1.23 0.40 0.33 0.22 -2.00 0.00 0.00 178.31 178.49 1uon h ASP 1190N 0.00 0.57 0.04 -0.68 3.58 -1.99 -1.28 116.42 116.66 1uon h ASP 1190Ca -0.00 -0.01 -0.11 0.00 0.42 0.00 0.00 57.03 57.32 1uon h ASP 1190Cb 0.93 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.83 1uon h ASP 1190CO 0.05 0.41 -0.35 0.28 -2.88 0.00 0.00 179.24 176.75 1uon h SER 1191N 0.67 0.44 -0.20 2.28 0.02 -1.92 -2.24 113.55 112.60 1uon h SER 1191Ca 0.19 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1uon h SER 1191Cb -0.06 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 1uon h SER 1191CO -0.05 0.77 0.06 -0.03 -1.14 0.00 0.00 176.83 176.44 1uon h MET 1192N 0.37 0.32 -0.51 3.45 1.85 -1.32 -0.07 114.93 119.02 1uon h MET 1192Ca 0.04 -0.07 0.01 0.00 -0.61 0.00 0.00 59.70 59.08 1uon h MET 1192Cb 0.79 -0.05 -0.03 0.00 0.43 0.00 0.00 31.60 32.74 1uon h MET 1192CO 0.06 0.42 0.32 0.74 -0.40 0.00 0.00 176.91 178.05 1uon h PHE 1193N 0.15 0.61 0.02 1.39 0.04 -1.12 -1.96 116.94 116.08 1uon h PHE 1193Ca 0.07 0.02 -0.26 0.00 2.80 0.00 0.00 57.97 60.59 1uon h PHE 1193Cb 0.23 -0.20 0.02 0.00 2.20 0.00 0.00 35.95 38.20 1uon h PHE 1193CO 0.00 0.36 -1.06 0.87 -0.60 0.00 0.00 178.31 177.89 1uon h LYS 1194N 0.65 0.61 0.00 1.51 1.57 -1.28 -3.40 116.57 116.23 1uon h LYS 1194Ca 0.20 -0.69 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1uon h LYS 1194Cb -0.03 0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1uon h LYS 1194CO -0.07 1.28 0.00 0.72 -0.57 0.00 0.00 179.45 180.81 1uon n HIS 1195N -3.81 0.00 -1.44 -1.35 8.25 -0.05 -4.79 115.22 112.03 1uon n HIS 1195Ca -0.10 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.39 1uon n HIS 1195Cb 0.89 0.00 0.05 0.00 1.12 0.00 0.00 29.99 32.06 1uon n HIS 1195CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1uon n HIS 1196N -0.02 0.00 -3.60 4.41 8.25 -0.74 -4.85 115.22 118.66 1uon n HIS 1196Ca 0.00 -0.41 -0.28 0.00 -0.26 0.00 0.00 57.72 56.77 1uon n HIS 1196Cb 0.01 -0.08 -0.12 0.00 1.12 0.00 0.00 29.99 30.91 1uon n HIS 1196CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1uon s VAL 1197N -1.15 1.13 0.01 1.59 1.01 -1.19 -2.62 120.40 119.17 1uon s VAL 1197Ca 0.12 -2.75 -0.30 0.00 0.00 0.00 0.00 61.98 59.05 1uon s VAL 1197Cb 0.11 -1.78 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 1uon s VAL 1197CO 0.01 -1.04 1.23 -0.54 0.00 0.00 0.00 175.10 174.76 1uon s LYS 1198N 0.06 4.38 0.00 2.72 3.01 -0.44 -4.90 119.74 124.57 1uon s LYS 1198Ca 0.24 1.76 0.24 0.00 -1.01 0.00 0.00 55.97 57.20 1uon s LYS 1198Cb -0.12 -3.46 0.38 0.00 -1.01 0.00 0.00 37.83 33.62 1uon s LYS 1198CO -0.09 -0.38 1.33 1.28 0.51 0.00 0.00 175.35 178.00 1uon n LEU 1199N 4.65 1.01 -4.52 3.17 4.77 -1.26 -0.77 117.00 124.05 1uon n LEU 1199Ca 0.10 -0.30 -0.41 0.00 -0.03 0.00 0.00 56.01 55.37 1uon n LEU 1199Cb 0.46 -0.12 -0.10 0.00 -2.33 0.00 0.00 43.42 41.33 1uon n LEU 1199CO 0.56 0.21 -0.06 -0.22 -1.33 0.00 0.00 177.39 176.55 1uon s LEU 1200N -2.74 4.63 0.45 2.23 0.20 -1.26 -4.65 118.68 117.53 1uon s LEU 1200Ca 0.16 -0.48 -0.20 0.00 0.69 0.00 0.00 54.13 54.30 1uon s LEU 1200Cb 0.18 -2.20 -0.15 0.00 -0.43 0.00 0.00 46.19 43.59 1uon s LEU 1200CO 0.65 -0.32 0.09 -2.65 -0.29 0.00 0.00 176.35 173.83 1uon n PRO 1201N 5.21 0.09 0.01 0.98 -0.02 -1.22 -4.66 135.00 135.39 1uon n PRO 1201Ca -0.11 0.03 0.03 0.00 -2.02 0.00 0.00 63.50 61.44 1uon n PRO 1201Cb 0.49 -1.10 0.41 0.00 -0.02 0.00 0.00 33.50 33.28 1uon n PRO 1201CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1uon h LYS 1202N 0.25 0.51 -0.95 -0.52 3.64 -1.89 -2.32 116.57 115.29 1uon h LYS 1202Ca -0.39 -0.04 -0.61 0.00 -1.27 0.00 0.00 60.65 58.33 1uon h LYS 1202Cb 1.44 -0.11 -0.30 0.00 -0.41 0.00 0.00 32.23 32.86 1uon h LYS 1202CO 0.46 0.38 0.67 -0.40 -2.27 0.00 0.00 179.45 178.28 1uon n ASP 1203N -4.44 6.33 0.00 4.20 3.85 -1.26 -5.05 116.55 120.19 1uon n ASP 1203Ca 0.03 -3.74 0.00 0.00 -0.71 0.00 0.00 54.79 50.36 1uon n ASP 1203Cb 0.10 -0.89 0.00 0.00 -1.35 0.00 0.00 41.12 38.98 1uon n ASP 1203CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1uon n GLY 1204N -0.97 -3.25 3.77 6.12 0.00 -0.87 -4.99 105.19 104.99 1uon n GLY 1204Ca 0.60 -1.87 -0.39 0.00 0.00 0.00 0.00 46.02 44.35 1uon n GLY 1204CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1uon s ARG 1205N -0.82 3.93 0.06 1.61 0.52 -1.26 -3.74 118.95 119.25 1uon s ARG 1205Ca 0.00 2.07 0.09 0.00 -0.52 0.00 0.00 55.73 57.37 1uon s ARG 1205Cb 0.00 -2.70 -0.03 0.00 0.52 0.00 0.00 34.95 32.74 1uon s ARG 1205CO 0.00 -0.49 -0.24 -1.01 0.02 0.00 0.00 175.30 173.58 1uon s HIS 1206N -1.31 2.12 0.26 -0.53 3.76 -1.26 -5.02 115.29 113.30 1uon s HIS 1206Ca 0.58 -0.40 -0.04 0.00 -0.15 0.00 0.00 55.06 55.05 1uon s HIS 1206Cb -0.36 -1.25 0.35 0.00 1.11 0.00 0.00 32.58 32.43 1uon s HIS 1206CO 0.46 0.14 1.90 -0.07 -0.85 0.00 0.00 174.74 176.32 1uon h LEU 1207N 4.67 1.07 -0.46 0.89 3.38 -1.97 -2.44 115.31 120.45 1uon h LEU 1207Ca -0.46 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.34 1uon h LEU 1207Cb 1.15 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 1uon h LEU 1207CO 0.43 0.72 -0.64 0.78 0.09 0.00 0.00 178.44 179.82 1uon h ASN 1208N 1.24 0.56 1.65 -0.43 2.35 -1.96 -3.27 115.58 115.71 1uon h ASN 1208Ca 0.41 -0.33 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1uon h ASN 1208Cb 0.04 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.25 1uon h ASN 1208CO -0.14 1.05 0.00 0.71 -1.65 0.00 0.00 177.43 177.41 1uon h THR 1209N 0.36 0.00 -3.39 2.81 1.35 -1.78 -0.59 112.91 111.66 1uon h THR 1209Ca -0.01 -0.82 -0.55 0.00 -0.55 0.00 0.00 66.41 64.47 1uon h THR 1209Cb 1.19 1.82 0.10 0.00 -1.73 0.00 0.00 68.15 69.53 1uon h THR 1209CO 0.11 0.00 0.71 0.47 -0.25 0.00 0.00 175.52 176.56 1uon n ASP 1210N -3.10 3.38 -4.59 5.36 8.00 -0.95 -4.85 116.55 119.81 1uon n ASP 1210Ca 0.03 1.19 -0.39 0.00 0.71 0.00 0.00 54.79 56.32 1uon n ASP 1210Cb 0.45 -1.55 -0.09 0.00 -0.02 0.00 0.00 41.12 39.91 1uon n ASP 1210CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1uon s ILE 1211N -0.64 5.19 0.59 0.53 -1.09 -1.26 -4.15 121.20 120.37 1uon s ILE 1211Ca 0.59 0.39 -0.18 0.00 -2.23 0.00 0.00 60.65 59.22 1uon s ILE 1211Cb -0.53 -3.71 -0.07 0.00 -1.58 0.00 0.00 42.46 36.57 1uon s ILE 1211CO 0.57 0.10 0.65 -2.65 -1.23 0.00 0.00 174.94 172.38 1uon n PRO 1212N 5.32 0.59 -0.06 2.79 -0.02 -1.26 -4.91 135.00 137.45 1uon n PRO 1212Ca -0.09 0.23 -0.09 0.00 -2.02 0.00 0.00 63.50 61.53 1uon n PRO 1212Cb 0.51 -1.85 -0.03 0.00 -0.02 0.00 0.00 33.50 32.11 1uon n PRO 1212CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1uon h PRO 1213N 0.24 -0.30 -0.03 0.52 0.11 -2.04 -2.30 132.00 128.20 1uon h PRO 1213Ca -0.46 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1uon h PRO 1213Cb 1.39 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.57 1uon h PRO 1213CO 0.48 -0.20 0.00 0.54 -0.21 0.00 0.00 178.00 178.60 1uon n ARG 1214N -5.41 1.33 -1.84 1.05 1.74 -1.26 -4.08 116.66 108.19 1uon n ARG 1214Ca -0.01 -0.48 -0.30 0.00 -0.77 0.00 0.00 57.85 56.30 1uon n ARG 1214Cb 0.33 -1.44 0.04 0.00 -1.02 0.00 0.00 32.46 30.36 1uon n ARG 1214CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1uon n MET 1215N -0.38 3.20 0.26 5.56 2.81 -0.86 -4.71 117.12 123.00 1uon n MET 1215Ca 0.20 -3.86 0.13 0.00 -1.81 0.00 0.00 57.70 52.36 1uon n MET 1215Cb 0.22 -2.28 0.71 0.00 -0.71 0.00 0.00 33.22 31.16 1uon n MET 1215CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1uon h GLY 1216N 2.26 0.00 2.00 3.03 0.00 -1.71 -1.83 103.07 106.82 1uon h GLY 1216Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.79 1uon h GLY 1216CO 1.12 0.00 0.00 0.11 0.00 0.00 0.00 176.54 177.77 1uon h TRP 1217N 0.00 0.00 -0.56 5.60 5.08 -1.94 -1.84 115.95 122.29 1uon h TRP 1217Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1uon h TRP 1217Cb 0.40 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.53 1uon h TRP 1217CO 0.00 0.00 0.35 -0.07 -1.28 0.00 0.00 178.44 177.44 1uon h LEU 1218N 0.00 0.66 -1.94 0.11 3.38 -1.73 -2.78 115.31 113.00 1uon h LEU 1218Ca 0.00 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.00 1uon h LEU 1218Cb 0.02 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1uon h LEU 1218CO 0.00 0.50 0.17 0.03 0.09 0.00 0.00 178.44 179.22 1uon h ARG 1219N 0.77 0.07 -0.12 1.13 3.08 -1.55 0.79 114.38 118.55 1uon h ARG 1219Ca 0.20 -0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.11 1uon h ARG 1219Cb -0.05 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 29.99 1uon h ARG 1219CO -0.04 0.04 -0.47 0.00 -1.07 0.00 0.00 179.97 178.44 1uon h ALA 1220N 1.88 0.21 -0.38 0.04 0.00 -1.68 -1.60 119.26 117.72 1uon h ALA 1220Ca 0.11 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 1uon h ALA 1220Cb 0.35 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1uon h ALA 1220CO -0.01 0.37 0.02 0.82 0.00 0.00 0.00 179.25 180.45 1uon h ILE 1221N 0.13 1.25 0.00 0.00 2.04 -1.44 -2.41 117.51 117.08 1uon h ILE 1221Ca -0.03 -0.95 -0.02 0.00 1.00 0.00 0.00 64.86 64.87 1uon h ILE 1221Cb 1.10 1.12 -0.00 0.00 -0.74 0.00 0.00 36.82 38.30 1uon h ILE 1221CO 0.10 0.32 -0.09 -0.07 0.00 0.00 0.00 178.15 178.41 1uon h LEU 1222N 0.49 0.00 -0.60 1.44 3.38 -0.87 -2.32 115.31 116.84 1uon h LEU 1222Ca 0.11 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.94 1uon h LEU 1222Cb 0.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1uon h LEU 1222CO 0.02 0.09 -0.42 0.03 0.09 0.00 0.00 178.44 178.24 1uon h ARG 1223N 0.00 0.64 -0.60 1.13 3.08 -0.78 -2.64 114.38 115.21 1uon h ARG 1223Ca -0.00 -0.34 -0.07 0.00 0.07 0.00 0.00 59.98 59.65 1uon h ARG 1223Cb 0.16 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1uon h ARG 1223CO 0.01 0.94 0.11 0.74 -1.07 0.00 0.00 179.97 180.70 1uon h PHE 1224N 0.52 1.04 -0.66 3.04 -1.00 -1.22 -1.69 116.94 116.96 1uon h PHE 1224Ca 0.04 -0.14 -0.05 0.00 2.81 0.00 0.00 57.97 60.63 1uon h PHE 1224Cb 0.95 -0.29 -0.03 0.00 3.61 0.00 0.00 35.95 40.19 1uon h PHE 1224CO 0.04 0.90 0.21 -0.07 -1.61 0.00 0.00 178.31 177.78 1uon h LEU 1225N 0.89 0.96 -0.08 1.54 3.38 -1.35 0.63 115.31 121.27 1uon h LEU 1225Ca 0.18 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1uon h LEU 1225Cb 0.40 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1uon h LEU 1225CO 0.01 0.91 -0.00 1.23 0.09 0.00 0.00 178.44 180.67 1uon h GLY 1226N 0.96 0.16 0.47 0.83 0.00 -1.40 -2.85 103.07 101.23 1uon h GLY 1226Ca 0.21 -0.12 0.10 0.00 0.00 0.00 0.00 47.33 47.53 1uon h GLY 1226CO -0.01 0.11 0.43 0.00 0.00 0.00 0.00 176.54 177.07 1uon h ALA 1227N 0.72 1.13 -0.32 3.60 0.00 -1.08 -2.02 119.26 121.30 1uon h ALA 1227Ca 0.02 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.05 1uon h ALA 1227Cb 0.36 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 1uon h ALA 1227CO 0.00 0.03 -0.20 0.78 0.00 0.00 0.00 179.25 179.86 1uon h GLY 1228N 0.71 -0.00 1.22 0.00 0.00 -0.65 0.92 103.07 105.26 1uon h GLY 1228Ca 0.39 0.25 -0.06 0.00 0.00 0.00 0.00 47.33 47.92 1uon h GLY 1228CO -0.27 -0.19 0.16 -0.33 0.00 0.00 0.00 176.54 175.91 1uon h MET 1229N -0.16 0.97 -0.01 4.80 2.86 -1.19 -0.70 114.93 121.50 1uon h MET 1229Ca 0.16 -0.21 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1uon h MET 1229Cb 0.42 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.94 1uon h MET 1229CO -0.42 0.86 0.00 0.28 1.06 0.00 0.00 176.91 178.70 1uon h VAL 1230N 0.93 1.18 0.00 -2.22 2.07 -0.74 -2.41 116.25 115.07 1uon h VAL 1230Ca 0.20 -0.54 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 1uon h VAL 1230Cb 0.32 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1uon h VAL 1230CO -0.00 0.14 -0.34 0.24 0.02 0.00 0.00 177.57 177.63 1uon h MET 1231N -0.20 0.00 0.00 1.57 2.86 -0.73 -2.91 114.93 115.52 1uon h MET 1231Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 1uon h MET 1231Cb 0.23 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 1uon h MET 1231CO 0.00 0.34 -0.14 1.15 1.06 0.00 0.00 176.91 179.32 1uon h THR 1232N 0.00 0.25 -3.30 2.22 2.02 -1.02 -3.38 112.91 109.70 1uon h THR 1232Ca -0.00 -1.25 -0.56 0.00 0.77 0.00 0.00 66.41 65.36 1uon h THR 1232Cb 0.67 2.03 -0.05 0.00 -1.74 0.00 0.00 68.15 69.06 1uon h THR 1232CO 0.04 0.14 0.42 0.00 0.37 0.00 0.00 175.52 176.49 1uon s ALA 1233N -3.23 3.42 0.53 6.16 0.00 -0.92 -0.54 121.76 127.18 1uon s ALA 1233Ca 0.05 0.23 -0.22 0.00 0.00 0.00 0.00 51.96 52.03 1uon s ALA 1233Cb 0.06 -3.29 -0.06 0.00 0.00 0.00 0.00 23.12 19.83 1uon s ALA 1233CO 0.67 -0.53 1.17 2.41 0.00 0.00 0.00 175.76 179.49 1uon n THR 1234N 4.47 3.42 0.00 0.00 -1.04 0.51 -4.68 114.28 116.96 1uon n THR 1234Ca 0.06 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.57 1uon n THR 1234Cb 0.49 -1.42 0.00 0.00 -1.82 0.00 0.00 70.33 67.59 1uon n THR 1234CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1uon n GLY 1235N 0.99 -0.33 3.80 3.41 0.00 -1.26 -5.00 105.19 106.81 1uon n GLY 1235Ca 0.11 -1.93 -0.34 0.00 0.00 0.00 0.00 46.02 43.86 1uon n GLY 1235CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1uon s VAL 1236N 0.00 3.89 0.29 1.61 -7.23 -1.26 -4.01 120.40 113.70 1uon s VAL 1236Ca 0.00 1.23 -0.29 0.00 -1.81 0.00 0.00 61.98 61.11 1uon s VAL 1236Cb 0.00 -3.52 -0.10 0.00 0.56 0.00 0.00 36.38 33.31 1uon s VAL 1236CO 0.00 -0.21 1.37 0.00 -0.31 0.00 0.00 175.10 175.95 1uon s ALA 1237N -1.96 3.55 0.23 1.32 0.00 -1.26 -4.90 121.76 118.74 1uon s ALA 1237Ca 0.64 1.29 0.10 0.00 0.00 0.00 0.00 51.96 54.00 1uon s ALA 1237Cb -0.16 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.40 1uon s ALA 1237CO 0.20 -0.69 -0.13 0.08 0.00 0.00 0.00 175.76 175.22 1uon s VAL 1238N -0.62 2.92 0.09 0.00 1.01 -1.26 -1.54 120.40 121.00 1uon s VAL 1238Ca 0.54 -1.97 -0.26 0.00 0.00 0.00 0.00 61.98 60.28 1uon s VAL 1238Cb -0.41 -2.49 -0.06 0.00 0.00 0.00 0.00 36.38 33.42 1uon s VAL 1238CO 0.49 -0.25 0.82 -1.81 0.00 0.00 0.00 175.10 174.35 1uon s ASP 1239N -3.17 7.33 -0.00 3.32 1.01 -0.65 -4.83 116.67 119.68 1uon s ASP 1239Ca 0.27 1.59 0.07 0.00 0.71 0.00 0.00 52.55 55.19 1uon s ASP 1239Cb -0.07 -2.51 -0.02 0.00 1.01 0.00 0.00 42.92 41.33 1uon s ASP 1239CO 0.15 0.04 -0.22 -0.51 0.21 0.00 0.00 175.17 174.84 1uon s ILE 1240N -0.29 2.39 -0.11 0.77 2.07 -1.08 -0.52 121.20 124.44 1uon s ILE 1240Ca 0.40 -1.11 0.04 0.00 -1.41 0.00 0.00 60.65 58.57 1uon s ILE 1240Cb -0.22 -1.90 0.00 0.00 0.13 0.00 0.00 42.46 40.47 1uon s ILE 1240CO 0.26 0.50 -0.23 -0.31 -1.91 0.00 0.00 174.94 173.24 1uon s TYR 1241N -0.73 2.56 0.03 3.50 2.02 0.22 -1.32 117.35 123.64 1uon s TYR 1241Ca 0.11 -1.10 -0.31 0.00 -0.37 0.00 0.00 57.07 55.41 1uon s TYR 1241Cb -0.10 -1.72 -0.10 0.00 -0.40 0.00 0.00 41.96 39.64 1uon s TYR 1241CO 0.01 -0.45 1.93 -0.11 -1.57 0.00 0.00 175.55 175.36 1uon n LEU 1242N 3.63 4.03 -0.11 -1.29 7.94 0.05 -0.86 117.00 130.40 1uon n LEU 1242Ca -0.19 0.93 -0.14 0.00 -1.11 0.00 0.00 56.01 55.50 1uon n LEU 1242Cb 0.53 -1.50 -0.12 0.00 0.53 0.00 0.00 43.42 42.86 1uon n LEU 1242CO 0.28 0.15 -1.20 1.21 -1.11 0.00 0.00 177.39 176.72 1uon n GLU 1243N 7.02 0.73 -3.53 1.96 4.07 -0.21 -3.46 120.64 127.22 1uon n GLU 1243Ca 0.20 0.09 -0.11 0.00 -0.06 0.00 0.00 57.16 57.28 1uon n GLU 1243Cb 0.38 -1.46 -0.04 0.00 -0.06 0.00 0.00 31.44 30.27 1uon n GLU 1243CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 1uon s ASP 1244N -5.91 -0.42 -0.25 4.31 3.68 -0.70 -4.90 116.67 112.47 1uon s ASP 1244Ca -0.24 0.26 -0.02 0.00 2.13 0.00 0.00 52.55 54.67 1uon s ASP 1244Cb 0.07 0.39 0.08 0.00 -1.45 0.00 0.00 42.92 42.01 1uon s ASP 1244CO 0.59 -0.54 0.08 -0.63 0.13 0.00 0.00 175.17 174.80 1uon s ILE 1245N -2.13 0.50 0.02 4.11 1.01 -1.26 -0.04 121.20 123.42 1uon s ILE 1245Ca -0.00 -0.86 -0.04 0.00 0.00 0.00 0.00 60.65 59.75 1uon s ILE 1245Cb -0.01 -1.22 -0.01 0.00 0.01 0.00 0.00 42.46 41.24 1uon s ILE 1245CO -0.02 -0.47 0.57 1.57 0.00 0.00 0.00 174.94 176.58 1uon n HIS 1246N 5.03 -0.06 -0.08 3.97 -0.00 -0.32 -0.48 115.22 123.29 1uon n HIS 1246Ca -0.06 0.16 0.08 0.00 -0.00 0.00 0.00 57.72 57.89 1uon n HIS 1246Cb 0.44 -0.32 0.28 0.00 -0.00 0.00 0.00 29.99 30.39 1uon n HIS 1246CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1uon n GLY 1247N -1.03 2.07 0.00 1.57 0.00 -1.26 -5.03 105.19 101.51 1uon n GLY 1247Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1uon n GLY 1247CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uon n GLY 1248N 1.02 0.06 0.24 -0.02 0.00 0.37 -4.19 105.19 102.67 1uon n GLY 1248Ca 0.20 -1.68 -0.03 0.00 0.00 0.00 0.00 46.02 44.51 1uon n GLY 1248CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1uon h GLY 1249N 0.00 0.89 0.74 -0.02 0.00 -1.26 -2.04 103.07 101.38 1uon h GLY 1249Ca 0.00 -0.24 0.03 0.00 0.00 0.00 0.00 47.33 47.12 1uon h GLY 1249CO 0.00 0.17 0.04 -0.09 0.00 0.00 0.00 176.54 176.66 1uon h ARG 1250N 0.65 0.13 0.00 4.80 2.43 -1.85 -0.50 114.38 120.04 1uon h ARG 1250Ca 0.27 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.34 1uon h ARG 1250Cb 0.13 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1uon h ARG 1250CO -0.16 0.08 -0.41 0.66 -1.51 0.00 0.00 179.97 178.64 1uon h SER 1251N 0.13 0.00 -0.36 -3.80 4.64 -1.69 -2.33 113.55 110.14 1uon h SER 1251Ca 0.10 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.40 1uon h SER 1251Cb 0.10 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 1uon h SER 1251CO -0.14 0.41 0.11 0.25 -0.87 0.00 0.00 176.83 176.59 1uon h LEU 1252N 0.00 0.53 -0.53 5.97 5.85 -0.61 -2.08 115.31 124.44 1uon h LEU 1252Ca -0.00 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.51 1uon h LEU 1252Cb 0.79 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 1uon h LEU 1252CO 0.05 0.59 0.34 1.23 -0.34 0.00 0.00 178.44 180.32 1uon h GLY 1253N 0.43 0.74 0.95 3.75 0.00 -0.69 -1.10 103.07 107.16 1uon h GLY 1253Ca 0.12 -0.28 0.02 0.00 0.00 0.00 0.00 47.33 47.19 1uon h GLY 1253CO -0.00 0.28 0.65 1.46 0.00 0.00 0.00 176.54 178.93 1uon h GLN 1254N 0.71 1.27 -0.71 4.80 1.08 -1.34 0.29 115.11 121.21 1uon h GLN 1254Ca 0.19 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 1uon h GLN 1254Cb -0.07 -0.29 -0.03 0.00 -0.05 0.00 0.00 27.48 27.03 1uon h GLN 1254CO -0.04 0.84 0.46 -0.09 -0.95 0.00 0.00 178.83 179.05 1uon h ARG 1255N 1.31 0.95 -0.14 1.46 2.43 -0.70 0.15 114.38 119.83 1uon h ARG 1255Ca 0.38 -0.07 -0.17 0.00 -0.81 0.00 0.00 59.98 59.32 1uon h ARG 1255Cb -0.09 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.25 1uon h ARG 1255CO -0.10 0.64 -0.61 0.74 -1.51 0.00 0.00 179.97 179.14 1uon h PHE 1256N 0.97 0.61 0.00 2.20 0.04 -0.34 -2.81 116.94 117.60 1uon h PHE 1256Ca 0.26 -0.23 -0.05 0.00 2.80 0.00 0.00 57.97 60.74 1uon h PHE 1256Cb -0.08 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 37.95 1uon h PHE 1256CO -0.02 0.96 -0.26 0.52 -0.60 0.00 0.00 178.31 178.91 1uon h MET 1257N 0.35 0.00 -0.15 1.51 2.86 0.37 0.87 114.93 120.75 1uon h MET 1257Ca -0.01 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.54 1uon h MET 1257Cb 1.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.81 1uon h MET 1257CO 0.11 0.26 -0.26 1.15 1.06 0.00 0.00 176.91 179.22 1uon h THR 1258N 0.00 1.36 -0.43 2.22 2.02 -0.61 -1.71 112.91 115.76 1uon h THR 1258Ca -0.00 -1.51 0.04 0.00 0.77 0.00 0.00 66.41 65.70 1uon h THR 1258Cb 0.49 1.98 -0.04 0.00 -1.74 0.00 0.00 68.15 68.84 1uon h THR 1258CO 0.03 0.45 0.21 -0.25 0.37 0.00 0.00 175.52 176.33 1uon h TRP 1259N 0.05 0.39 -0.02 3.16 7.01 -1.15 -2.10 115.95 123.28 1uon h TRP 1259Ca 0.01 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.05 1uon h TRP 1259Cb 0.85 -0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 27.76 1uon h TRP 1259CO 0.10 0.20 -0.15 0.52 -2.79 0.00 0.00 178.44 176.31 1uon h MET 1260N 0.42 -0.23 0.00 2.65 2.86 -0.72 -2.28 114.93 117.63 1uon h MET 1260Ca 0.18 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1uon h MET 1260Cb 0.10 0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.81 1uon h MET 1260CO -0.13 -0.15 0.00 2.89 1.06 0.00 0.00 176.91 180.57 1uon n ARG 1261N -5.28 0.38 0.00 1.72 1.85 -0.66 -2.98 116.66 111.70 1uon n ARG 1261Ca -0.05 0.06 0.09 0.00 -1.00 0.00 0.00 57.85 56.95 1uon n ARG 1261Cb 0.20 -1.50 -0.09 0.00 -1.05 0.00 0.00 32.46 30.02 1uon n ARG 1261CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1uon n GLN 1262N -1.24 1.03 -1.66 2.89 6.02 -0.81 -4.46 117.38 119.15 1uon n GLN 1262Ca 0.12 -0.15 -0.45 0.00 -0.01 0.00 0.00 57.00 56.51 1uon n GLN 1262Cb 0.16 -1.37 -0.04 0.00 1.02 0.00 0.00 30.24 30.02 1uon n GLN 1262CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1uon n GLU 1263N -1.21 2.45 -1.85 -1.09 -0.58 -1.06 -3.35 120.64 113.95 1uon n GLU 1263Ca 0.04 0.88 -0.01 0.00 -0.42 0.00 0.00 57.16 57.65 1uon n GLU 1263Cb 0.31 -2.86 0.01 0.00 -0.57 0.00 0.00 31.44 28.32 1uon n GLU 1263CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1uon n GLY 1264N 4.67 -0.11 0.00 0.62 0.00 -1.26 -3.76 105.19 105.35 1uon n GLY 1264Ca 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1uon n GLY 1264CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86