#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3krf s PHE 2 N 0.00 3.05 -1.27 1.12 5.36 -1.26 -5.00 117.98 119.98 3krf s PHE 2 Ca 0.00 -0.11 -0.17 0.00 -0.96 0.00 0.00 56.93 55.69 3krf s PHE 2 Cb 0.00 -3.42 0.10 0.00 -0.34 0.00 0.00 43.02 39.36 3krf s PHE 2 CO 0.00 -0.92 1.65 0.34 -1.46 0.00 0.00 175.22 174.82 3krf s ASP 3 N 2.14 6.91 0.16 6.13 3.68 -1.26 -4.88 116.67 129.55 3krf s ASP 3 Ca 0.22 -2.62 -0.15 0.00 2.13 0.00 0.00 52.55 52.14 3krf s ASP 3 Cb -0.15 -2.52 0.10 0.00 -1.45 0.00 0.00 42.92 38.90 3krf s ASP 3 CO 0.18 -1.04 1.75 2.19 0.13 0.00 0.00 175.17 178.38 3krf h PHE 4 N 7.45 0.26 -0.99 -5.34 -5.15 -1.97 -1.81 116.94 109.39 3krf h PHE 4 Ca 0.41 0.02 0.10 0.00 -0.20 0.00 0.00 57.97 58.30 3krf h PHE 4 Cb 0.87 -0.06 -0.08 0.00 0.22 0.00 0.00 35.95 36.91 3krf h PHE 4 CO 1.33 0.10 0.63 -0.44 -2.00 0.00 0.00 178.31 177.94 3krf h ASP 5 N 0.31 0.96 -0.03 -0.68 3.32 -2.00 -1.44 116.42 116.85 3krf h ASP 5 Ca 0.19 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 3krf h ASP 5 Cb 0.17 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3krf h ASP 5 CO -0.19 0.56 -0.01 1.23 -1.72 0.00 0.00 179.24 179.11 3krf h GLY 6 N 1.05 0.07 0.47 2.75 0.00 -1.88 -2.34 103.07 103.19 3krf h GLY 6 Ca 0.46 -0.06 0.07 0.00 0.00 0.00 0.00 47.33 47.81 3krf h GLY 6 CO -0.22 0.06 0.15 -1.82 0.00 0.00 0.00 176.54 174.71 3krf h TYR 7 N -0.30 0.27 -0.36 5.60 3.20 -0.91 -2.44 116.97 122.03 3krf h TYR 7 Ca 0.01 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.80 3krf h TYR 7 Cb 0.41 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 3krf h TYR 7 CO 0.06 0.06 -0.20 0.52 -1.64 0.00 0.00 178.16 176.97 3krf h MET 8 N 0.32 0.77 -0.05 1.82 2.86 -1.34 -1.00 114.93 118.31 3krf h MET 8 Ca 0.25 -0.35 0.03 0.00 -2.06 0.00 0.00 59.70 57.57 3krf h MET 8 Cb 0.29 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.89 3krf h MET 8 CO -0.27 0.97 -0.20 1.25 1.06 0.00 0.00 176.91 179.71 3krf h LEU 9 N 0.56 -0.61 -0.71 1.22 5.85 -1.15 0.21 115.31 120.69 3krf h LEU 9 Ca 0.08 0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.77 3krf h LEU 9 Cb 0.75 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 3krf h LEU 9 CO 0.06 -0.26 -0.33 0.08 -0.34 0.00 0.00 178.44 177.64 3krf h ARG 10 N -0.30 0.62 -0.62 1.25 0.11 -1.37 -2.18 114.38 111.89 3krf h ARG 10 Ca 0.07 -0.29 0.03 0.00 0.10 0.00 0.00 59.98 59.90 3krf h ARG 10 Cb 0.40 -0.01 -0.04 0.00 1.11 0.00 0.00 29.97 31.43 3krf h ARG 10 CO -0.22 0.87 0.38 0.87 0.10 0.00 0.00 179.97 181.96 3krf h LYS 11 N 0.52 0.72 -0.22 0.08 1.79 -0.54 -0.44 116.57 118.48 3krf h LYS 11 Ca 0.06 -0.04 -0.09 0.00 -2.18 0.00 0.00 60.65 58.40 3krf h LYS 11 Cb 0.83 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 31.30 3krf h LYS 11 CO 0.07 0.48 -0.24 0.00 -1.08 0.00 0.00 179.45 178.67 3krf h ALA 12 N 1.27 1.17 -0.26 3.86 0.00 -0.92 0.29 119.26 124.67 3krf h ALA 12 Ca 0.25 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 3krf h ALA 12 Cb 0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3krf h ALA 12 CO -0.10 0.53 -0.17 0.87 0.00 0.00 0.00 179.25 180.38 3krf h LYS 13 N 0.37 0.57 -0.68 0.00 6.56 -0.96 0.61 116.57 123.03 3krf h LYS 13 Ca 0.06 -0.27 -0.06 0.00 -1.06 0.00 0.00 60.65 59.32 3krf h LYS 13 Cb 0.63 -0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 32.26 3krf h LYS 13 CO 0.05 0.84 0.20 1.03 -2.06 0.00 0.00 179.45 179.51 3krf h SER 14 N 0.29 1.01 -0.19 0.86 0.87 -0.77 0.66 113.55 116.29 3krf h SER 14 Ca 0.05 -0.22 -0.09 0.00 -1.23 0.00 0.00 61.79 60.31 3krf h SER 14 Cb 0.70 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.39 3krf h SER 14 CO 0.05 0.96 -0.22 0.58 -0.53 0.00 0.00 176.83 177.67 3krf h VAL 15 N 1.01 1.34 -0.69 2.23 2.07 -0.18 -2.64 116.25 119.38 3krf h VAL 15 Ca 0.22 -1.41 0.01 0.00 0.82 0.00 0.00 66.70 66.34 3krf h VAL 15 Cb 0.32 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.89 3krf h VAL 15 CO -0.00 0.43 0.46 0.78 0.02 0.00 0.00 177.57 179.25 3krf h ASN 16 N 0.13 0.79 0.21 0.57 2.35 0.40 -0.98 115.58 119.05 3krf h ASN 16 Ca 0.02 -0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.66 3krf h ASN 16 Cb 0.78 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.94 3krf h ASN 16 CO 0.05 0.57 -0.37 0.50 -1.65 0.00 0.00 177.43 176.54 3krf h LYS 17 N 0.93 0.23 0.10 0.81 3.64 -0.80 -2.18 116.57 119.30 3krf h LYS 17 Ca 0.25 -0.10 -0.27 0.00 -1.27 0.00 0.00 60.65 59.26 3krf h LYS 17 Cb -0.10 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 3krf h LYS 17 CO -0.06 0.57 -1.31 0.00 -2.27 0.00 0.00 179.45 176.39 3krf h ALA 18 N 1.42 0.22 -0.35 5.00 0.00 -1.04 -2.86 119.26 121.66 3krf h ALA 18 Ca 0.02 -0.99 -0.01 0.00 0.00 0.00 0.00 54.91 53.93 3krf h ALA 18 Cb 0.75 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3krf h ALA 18 CO 0.06 1.10 0.16 -0.07 0.00 0.00 0.00 179.25 180.50 3krf h LEU 19 N 0.06 0.46 -0.68 0.00 3.38 -1.12 0.86 115.31 118.26 3krf h LEU 19 Ca -0.15 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.70 3krf h LEU 19 Cb 1.95 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 42.55 3krf h LEU 19 CO 0.17 0.46 0.44 -0.08 0.09 0.00 0.00 178.44 179.52 3krf h GLU 20 N 0.42 0.86 -0.19 1.13 4.22 -1.46 -2.62 114.58 116.94 3krf h GLU 20 Ca 0.12 -0.05 -0.13 0.00 0.08 0.00 0.00 59.36 59.37 3krf h GLU 20 Cb 0.13 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 3krf h GLU 20 CO -0.01 0.57 -0.45 0.00 -2.18 0.00 0.00 179.01 176.94 3krf h ALA 21 N 1.27 0.88 0.00 2.92 0.00 -1.24 -3.20 119.26 119.89 3krf h ALA 21 Ca 0.26 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 3krf h ALA 21 Cb -0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3krf h ALA 21 CO -0.08 0.65 -0.37 0.00 0.00 0.00 0.00 179.25 179.45 3krf h ALA 22 N 1.14 0.93 -3.20 0.00 0.00 -0.55 -3.38 119.26 114.21 3krf h ALA 22 Ca 0.03 -0.33 -0.63 0.00 0.00 0.00 0.00 54.91 53.97 3krf h ALA 22 Cb 0.93 -0.06 -0.41 0.00 0.00 0.00 0.00 17.79 18.25 3krf h ALA 22 CO 0.08 0.46 -0.63 0.08 0.00 0.00 0.00 179.25 179.24 3krf s VAL 23 N -3.48 2.54 0.38 0.00 1.01 -1.01 -5.10 120.40 114.74 3krf s VAL 23 Ca 0.01 -3.62 -0.05 0.00 0.00 0.00 0.00 61.98 58.32 3krf s VAL 23 Cb 0.10 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 3krf s VAL 23 CO 0.69 -0.90 0.67 -1.10 0.00 0.00 0.00 175.10 174.45 3krf s GLN 24 N -0.69 3.60 0.22 2.72 -1.52 -1.26 -4.85 119.66 117.88 3krf s GLN 24 Ca 0.21 0.08 -0.30 0.00 -1.95 0.00 0.00 55.36 53.39 3krf s GLN 24 Cb -0.17 -2.52 -0.10 0.00 -0.22 0.00 0.00 33.01 30.01 3krf s GLN 24 CO -0.07 0.02 1.42 -1.64 -0.25 0.00 0.00 175.29 174.77 3krf s MET 25 N -4.15 4.29 0.03 2.91 -1.94 -1.26 -4.96 119.30 114.23 3krf s MET 25 Ca 0.45 2.24 -0.28 0.00 -1.71 0.00 0.00 55.69 56.39 3krf s MET 25 Cb -0.10 -3.14 0.09 0.00 2.01 0.00 0.00 34.83 33.69 3krf s MET 25 CO 0.36 -0.40 0.99 -1.59 -0.01 0.00 0.00 175.02 174.37 3krf s LYS 26 N -0.05 0.85 0.32 2.03 -2.85 -1.26 -5.11 119.74 113.67 3krf s LYS 26 Ca 0.60 -0.40 -0.29 0.00 -1.00 0.00 0.00 55.97 54.89 3krf s LYS 26 Cb -0.40 0.34 -0.10 0.00 -2.06 0.00 0.00 37.83 35.60 3krf s LYS 26 CO 0.40 -0.38 1.34 -1.21 0.10 0.00 0.00 175.35 175.60 3krf s GLU 27 N -3.02 4.32 -0.09 1.78 0.41 -1.26 -3.16 118.70 117.67 3krf s GLU 27 Ca 0.09 2.26 -0.30 0.00 -0.41 0.00 0.00 54.97 56.61 3krf s GLU 27 Cb -0.00 -3.07 -0.02 0.00 -1.78 0.00 0.00 34.13 29.26 3krf s GLU 27 CO -0.04 -0.25 1.11 -1.25 -0.49 0.00 0.00 175.26 174.34 3krf s PRO 28 N -1.59 4.37 0.21 0.39 0.04 -1.26 -5.03 135.00 132.13 3krf s PRO 28 Ca 0.51 1.53 -0.09 0.00 0.04 0.00 0.00 61.00 62.99 3krf s PRO 28 Cb -0.41 -3.57 0.29 0.00 0.04 0.00 0.00 34.50 30.86 3krf s PRO 28 CO 0.52 -0.41 1.74 -0.07 0.04 0.00 0.00 177.00 178.82 3krf h LEU 29 N 8.27 0.22 -0.74 -3.56 3.38 -1.98 -2.90 115.31 118.00 3krf h LEU 29 Ca -0.31 0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.67 3krf h LEU 29 Cb 1.15 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 3krf h LEU 29 CO 0.88 0.13 0.16 0.50 0.09 0.00 0.00 178.44 180.19 3krf h LYS 30 N 0.41 1.12 -0.28 1.13 3.64 -1.98 0.86 116.57 121.47 3krf h LYS 30 Ca 0.31 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3krf h LYS 30 Cb 0.40 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 3krf h LYS 30 CO -0.32 0.99 0.18 0.82 -2.27 0.00 0.00 179.45 178.85 3krf h ILE 31 N 1.06 1.08 -0.27 2.00 1.08 -1.90 0.25 117.51 120.81 3krf h ILE 31 Ca 0.22 -0.17 -0.16 0.00 -0.39 0.00 0.00 64.86 64.36 3krf h ILE 31 Cb 0.39 0.69 -0.01 0.00 -3.07 0.00 0.00 36.82 34.82 3krf h ILE 31 CO 0.00 0.08 -0.47 0.45 -0.69 0.00 0.00 178.15 177.52 3krf h HIS 32 N 0.37 0.87 -0.71 1.37 3.86 -1.28 -1.29 115.15 118.34 3krf h HIS 32 Ca 0.10 -0.28 -0.03 0.00 -1.16 0.00 0.00 60.37 59.00 3krf h HIS 32 Cb -0.02 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 28.24 3krf h HIS 32 CO -0.05 1.05 0.33 1.49 0.86 0.00 0.00 177.93 181.60 3krf h GLU 33 N 0.57 1.03 -0.13 2.45 4.81 -0.63 -1.74 114.58 120.94 3krf h GLU 33 Ca 0.03 -0.16 -0.07 0.00 -0.13 0.00 0.00 59.36 59.03 3krf h GLU 33 Cb 1.03 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 3krf h GLU 33 CO 0.10 0.82 -0.22 1.03 -0.73 0.00 0.00 179.01 180.00 3krf h SER 34 N 1.00 0.21 -0.15 1.04 0.87 -0.16 0.30 113.55 116.65 3krf h SER 34 Ca 0.24 -0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.70 3krf h SER 34 Cb 0.14 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.04 3krf h SER 34 CO -0.03 0.45 -0.08 0.24 -0.53 0.00 0.00 176.83 176.88 3krf h MET 35 N 0.20 0.32 -0.35 2.24 2.86 -0.64 -3.12 114.93 116.44 3krf h MET 35 Ca 0.03 -0.14 -0.12 0.00 -2.06 0.00 0.00 59.70 57.41 3krf h MET 35 Cb 0.51 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 3krf h MET 35 CO 0.03 0.65 -0.27 0.00 1.06 0.00 0.00 176.91 178.38 3krf h ARG 36 N -0.01 0.73 -0.71 1.72 3.08 -1.22 -1.09 114.38 116.87 3krf h ARG 36 Ca 0.03 -0.32 0.08 0.00 0.07 0.00 0.00 59.98 59.84 3krf h ARG 36 Cb 0.56 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.52 3krf h ARG 36 CO 0.02 0.92 0.39 -0.92 -1.07 0.00 0.00 179.97 179.31 3krf h TYR 37 N 0.63 0.70 0.08 3.04 5.03 -0.93 0.55 116.97 126.07 3krf h TYR 37 Ca 0.08 0.03 -0.33 0.00 2.58 0.00 0.00 58.73 61.09 3krf h TYR 37 Cb 0.79 -0.21 -0.03 0.00 1.55 0.00 0.00 36.73 38.83 3krf h TYR 37 CO 0.04 0.30 -1.83 0.77 -1.32 0.00 0.00 178.16 176.12 3krf h SER 38 N 0.68 0.26 -0.42 -2.11 0.02 -1.49 -3.18 113.55 107.30 3krf h SER 38 Ca 0.34 -0.54 -0.15 0.00 -0.84 0.00 0.00 61.79 60.60 3krf h SER 38 Cb 0.28 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 3krf h SER 38 CO -0.22 1.48 -0.31 0.25 -1.14 0.00 0.00 176.83 176.89 3krf h LEU 39 N 0.04 1.01 -2.78 5.07 5.85 -1.04 -3.18 115.31 120.28 3krf h LEU 39 Ca -0.35 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 57.94 3krf h LEU 39 Cb 2.03 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.77 3krf h LEU 39 CO 0.10 1.23 0.00 0.18 -0.34 0.00 0.00 178.44 179.60 3krf n LEU 40 N -4.09 3.80 -0.09 2.25 4.77 0.17 -4.43 117.00 119.38 3krf n LEU 40 Ca -0.01 -2.00 -0.10 0.00 -0.03 0.00 0.00 56.01 53.87 3krf n LEU 40 Cb 0.51 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 3krf n LEU 40 CO 0.48 0.95 0.92 0.00 -1.33 0.00 0.00 177.39 178.40 3krf h ALA 41 N 3.90 0.37 0.00 -1.18 0.00 -1.53 -3.48 119.26 117.35 3krf h ALA 41 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3krf h ALA 41 Cb 0.95 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3krf h ALA 41 CO 0.00 -0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.59 3krf n GLY 42 N -0.87 0.00 3.69 0.00 0.00 -1.26 -5.04 105.19 101.70 3krf n GLY 42 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 3krf n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3krf s GLY 43 N 0.00 1.58 0.46 -0.02 0.00 -1.26 -4.94 107.32 103.14 3krf s GLY 43 Ca 0.00 -0.63 0.26 0.00 0.00 0.00 0.00 44.72 44.35 3krf s GLY 43 CO 0.00 0.06 1.85 0.50 0.00 0.00 0.00 173.10 175.51 3krf h LYS 44 N -2.00 0.00 -1.83 2.90 1.57 -2.01 -3.47 116.57 111.72 3krf h LYS 44 Ca -0.51 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.12 3krf h LYS 44 Cb 1.32 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.64 3krf h LYS 44 CO 0.51 0.18 -0.22 0.54 -0.57 0.00 0.00 179.45 179.89 3krf n ARG 45 N -3.33 -1.63 -0.05 3.15 5.12 -1.26 -4.95 116.66 113.72 3krf n ARG 45 Ca 0.00 0.35 -0.09 0.00 -1.93 0.00 0.00 57.85 56.18 3krf n ARG 45 Cb 0.41 -4.08 -0.03 0.00 -1.16 0.00 0.00 32.46 27.61 3krf n ARG 45 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3krf h VAL 46 N -0.43 1.02 0.20 1.55 2.07 -1.99 -2.10 116.25 116.57 3krf h VAL 46 Ca -0.20 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 3krf h VAL 46 Cb 1.14 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 3krf h VAL 46 CO 0.21 0.05 -0.10 0.03 0.02 0.00 0.00 177.57 177.78 3krf h ARG 47 N 0.25 -0.26 -0.09 1.57 3.08 -1.96 0.11 114.38 117.08 3krf h ARG 47 Ca 0.08 0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.18 3krf h ARG 47 Cb 0.00 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 3krf h ARG 47 CO -0.04 -0.05 0.07 -1.00 -1.07 0.00 0.00 179.97 177.87 3krf h PRO 48 N -0.43 0.00 -0.05 0.04 0.13 -1.74 -0.40 132.00 129.54 3krf h PRO 48 Ca -0.03 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.90 3krf h PRO 48 Cb 0.33 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.47 3krf h PRO 48 CO 0.05 0.00 -0.74 0.52 -0.23 0.00 0.00 178.00 177.60 3krf h MET 49 N 0.00 0.59 -0.43 0.86 2.86 -1.00 -1.91 114.93 115.92 3krf h MET 49 Ca 0.04 -0.57 0.04 0.00 -2.06 0.00 0.00 59.70 57.15 3krf h MET 49 Cb 0.17 0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.94 3krf h MET 49 CO -0.00 1.19 0.19 -0.07 1.06 0.00 0.00 176.91 179.28 3krf h LEU 50 N 0.21 0.26 -0.14 1.22 3.38 0.15 0.15 115.31 120.56 3krf h LEU 50 Ca -0.08 0.03 0.04 0.00 0.09 0.00 0.00 57.88 57.96 3krf h LEU 50 Cb 1.40 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 42.10 3krf h LEU 50 CO 0.15 0.19 -0.10 0.00 0.09 0.00 0.00 178.44 178.77 3krf h ILE 52 N -0.11 1.25 -0.18 0.00 2.04 -0.89 -2.26 117.51 117.35 3krf h ILE 52 Ca 0.09 -0.82 -0.12 0.00 1.00 0.00 0.00 64.86 65.01 3krf h ILE 52 Cb 0.24 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 3krf h ILE 52 CO -0.21 0.32 -0.40 0.00 0.00 0.00 0.00 178.15 177.86 3krf h ALA 53 N 1.09 0.98 -0.15 1.87 0.00 -0.49 -1.44 119.26 121.11 3krf h ALA 53 Ca 0.21 -0.43 -0.14 0.00 0.00 0.00 0.00 54.91 54.55 3krf h ALA 53 Cb 0.27 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3krf h ALA 53 CO -0.01 0.62 -0.51 0.00 0.00 0.00 0.00 179.25 179.35 3krf h ALA 54 N 1.23 0.84 -0.06 0.00 0.00 -0.81 -0.86 119.26 119.60 3krf h ALA 54 Ca 0.03 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 3krf h ALA 54 Cb 0.86 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 3krf h ALA 54 CO 0.07 0.67 0.02 0.00 0.00 0.00 0.00 179.25 180.01 3krf h GLU 56 N -0.11 1.07 -0.42 0.00 5.08 -1.21 0.25 114.58 119.25 3krf h GLU 56 Ca 0.02 -0.18 0.07 0.00 -1.00 0.00 0.00 59.36 58.27 3krf h GLU 56 Cb 0.23 -0.18 -0.06 0.00 0.50 0.00 0.00 28.75 29.24 3krf h GLU 56 CO -0.00 0.86 0.08 1.25 -1.00 0.00 0.00 179.01 180.20 3krf h LEU 57 N 1.04 -0.01 -0.50 1.33 5.85 -1.08 -1.44 115.31 120.50 3krf h LEU 57 Ca 0.25 0.07 0.00 0.00 0.84 0.00 0.00 57.88 59.04 3krf h LEU 57 Cb 0.17 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.30 3krf h LEU 57 CO -0.03 0.03 0.00 1.33 -0.34 0.00 0.00 178.44 179.44 3krf n VAL 58 N -5.11 0.15 0.00 1.05 0.24 -1.01 -4.89 118.33 108.76 3krf n VAL 58 Ca 0.03 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 3krf n VAL 58 Cb 0.19 0.05 0.00 0.00 -1.47 0.00 0.00 33.84 32.62 3krf n VAL 58 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3krf n GLY 59 N 0.80 1.13 0.51 7.63 0.00 -0.54 -4.58 105.19 110.14 3krf n GLY 59 Ca 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.07 3krf n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3krf n GLY 60 N -0.50 0.45 3.30 -0.02 0.00 0.87 -4.94 105.19 104.35 3krf n GLY 60 Ca 0.00 -1.92 -0.19 0.00 0.00 0.00 0.00 46.02 43.91 3krf n GLY 60 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3krf s ASP 61 N -1.56 2.32 0.27 1.61 3.84 -1.26 -3.95 116.67 117.94 3krf s ASP 61 Ca 0.09 -0.90 -0.06 0.00 -0.00 0.00 0.00 52.55 51.67 3krf s ASP 61 Cb -0.00 -0.11 0.47 0.00 -1.38 0.00 0.00 42.92 41.90 3krf s ASP 61 CO 0.06 -0.14 1.46 1.21 -0.00 0.00 0.00 175.17 177.76 3krf n GLU 62 N 0.13 -0.08 -0.24 2.11 2.13 -1.26 -1.72 120.64 121.71 3krf n GLU 62 Ca -0.12 1.45 0.14 0.00 0.66 0.00 0.00 57.16 59.30 3krf n GLU 62 Cb 0.58 -2.19 0.44 0.00 0.27 0.00 0.00 31.44 30.54 3krf n GLU 62 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3krf h SER 63 N 0.00 0.54 0.57 4.31 4.64 -1.98 0.38 113.55 122.01 3krf h SER 63 Ca 0.46 0.04 -0.16 0.00 -0.47 0.00 0.00 61.79 61.67 3krf h SER 63 Cb 0.75 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.75 3krf h SER 63 CO -0.95 0.26 -0.70 0.74 -0.87 0.00 0.00 176.83 175.30 3krf h THR 64 N 0.56 1.46 0.00 2.95 2.02 -1.56 -3.24 112.91 115.11 3krf h THR 64 Ca 0.44 -2.30 0.00 0.00 0.77 0.00 0.00 66.41 65.32 3krf h THR 64 Cb 0.86 2.23 0.00 0.00 -1.74 0.00 0.00 68.15 69.50 3krf h THR 64 CO -0.19 0.67 -0.81 0.00 0.37 0.00 0.00 175.52 175.56 3krf h ALA 65 N 1.20 0.52 -0.73 6.16 0.00 -0.98 -3.41 119.26 122.02 3krf h ALA 65 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3krf h ALA 65 Cb 1.25 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 3krf h ALA 65 CO 0.10 0.00 0.45 1.98 0.00 0.00 0.00 179.25 181.78 3krf h MET 66 N 0.00 0.82 -0.70 0.00 4.05 -0.37 0.13 114.93 118.86 3krf h MET 66 Ca 0.00 -0.05 -0.06 0.00 -0.28 0.00 0.00 59.70 59.31 3krf h MET 66 Cb 0.84 -0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 31.42 3krf h MET 66 CO 0.00 0.54 0.22 -1.35 0.23 0.00 0.00 176.91 176.56 3krf h PRO 67 N 0.85 1.09 -0.16 0.39 0.11 -1.79 0.11 132.00 132.60 3krf h PRO 67 Ca 0.31 -0.23 -0.11 0.00 0.11 0.00 0.00 66.00 66.07 3krf h PRO 67 Cb 0.09 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 3krf h PRO 67 CO -0.14 0.94 -0.40 0.00 -0.21 0.00 0.00 178.00 178.19 3krf h ALA 68 N 1.10 1.03 -0.55 -0.75 0.00 -1.74 0.40 119.26 118.76 3krf h ALA 68 Ca 0.23 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3krf h ALA 68 Cb 0.30 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3krf h ALA 68 CO -0.01 0.60 0.26 0.00 0.00 0.00 0.00 179.25 180.11 3krf h ALA 69 N 1.29 0.70 -0.46 0.00 0.00 -0.13 0.76 119.26 121.41 3krf h ALA 69 Ca 0.03 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 3krf h ALA 69 Cb 0.83 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3krf h ALA 69 CO 0.07 0.27 -0.12 0.00 0.00 0.00 0.00 179.25 179.46 3krf h ALA 71 N 1.09 0.81 0.00 0.00 0.00 -0.45 0.12 119.26 120.83 3krf h ALA 71 Ca 0.12 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3krf h ALA 71 Cb 0.63 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3krf h ALA 71 CO 0.04 0.43 -0.37 -0.39 0.00 0.00 0.00 179.25 178.96 3krf h VAL 72 N 0.87 1.06 0.00 0.00 -1.51 -0.65 -1.00 116.25 115.02 3krf h VAL 72 Ca 0.21 -1.38 -0.08 0.00 -1.23 0.00 0.00 66.70 64.22 3krf h VAL 72 Cb 0.21 1.79 -0.01 0.00 -2.13 0.00 0.00 31.29 31.14 3krf h VAL 72 CO -0.02 0.37 -0.40 -0.08 -1.23 0.00 0.00 177.57 176.21 3krf h GLU 73 N 0.00 0.00 -0.13 5.19 4.57 -1.09 -0.02 114.58 123.09 3krf h GLU 73 Ca -0.00 0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 58.03 3krf h GLU 73 Cb 0.76 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.35 3krf h GLU 73 CO 0.05 0.40 -0.50 0.52 -1.18 0.00 0.00 179.01 178.30 3krf h MET 74 N 0.00 0.57 -0.18 1.92 2.86 0.48 -1.78 114.93 118.79 3krf h MET 74 Ca -0.00 -0.44 -0.17 0.00 -2.06 0.00 0.00 59.70 57.03 3krf h MET 74 Cb 1.21 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.94 3krf h MET 74 CO 0.05 1.06 -0.60 0.82 1.06 0.00 0.00 176.91 179.30 3krf h ILE 75 N 0.20 1.32 -0.17 -1.22 2.04 -1.30 -2.21 117.51 116.16 3krf h ILE 75 Ca -0.02 -1.85 0.03 0.00 1.00 0.00 0.00 64.86 64.01 3krf h ILE 75 Cb 1.13 1.82 -0.03 0.00 -0.74 0.00 0.00 36.82 39.00 3krf h ILE 75 CO 0.10 0.58 0.01 -0.74 0.00 0.00 0.00 178.15 178.10 3krf h HIS 76 N 0.46 0.01 -0.30 1.37 2.76 -0.93 -1.89 115.15 116.62 3krf h HIS 76 Ca -0.00 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.20 3krf h HIS 76 Cb 1.16 0.02 -0.03 0.00 1.55 0.00 0.00 27.41 30.12 3krf h HIS 76 CO 0.05 -0.01 0.14 1.15 -1.30 0.00 0.00 177.93 177.96 3krf h THR 77 N 0.07 0.97 0.00 6.26 2.02 -1.25 -1.96 112.91 119.02 3krf h THR 77 Ca 0.08 -0.10 -0.08 0.00 0.77 0.00 0.00 66.41 67.07 3krf h THR 77 Cb 0.09 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 3krf h THR 77 CO -0.13 0.05 -0.40 0.00 0.37 0.00 0.00 175.52 175.41 3krf h MET 78 N 0.30 0.00 0.00 6.66 -0.00 -1.34 -1.06 114.93 119.50 3krf h MET 78 Ca 0.13 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.79 3krf h MET 78 Cb 0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.65 3krf h MET 78 CO -0.10 0.40 -0.17 0.66 -0.00 0.00 0.00 176.91 177.71 3krf h SER 79 N 0.00 0.00 0.52 -0.10 4.64 -0.58 -1.08 113.55 116.94 3krf h SER 79 Ca -0.00 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.02 3krf h SER 79 Cb 0.76 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.85 3krf h SER 79 CO 0.05 0.17 -1.42 -0.07 -0.87 0.00 0.00 176.83 174.69 3krf h LEU 80 N 0.00 0.41 -0.99 5.97 3.38 -0.93 -2.24 115.31 120.91 3krf h LEU 80 Ca -0.00 -0.51 -0.04 0.00 0.09 0.00 0.00 57.88 57.41 3krf h LEU 80 Cb 0.56 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 3krf h LEU 80 CO 0.02 1.42 0.21 0.24 0.09 0.00 0.00 178.44 180.42 3krf h MET 81 N 0.07 0.94 0.08 1.13 2.86 -0.92 -0.67 114.93 118.42 3krf h MET 81 Ca -0.20 -0.17 -0.25 0.00 -2.06 0.00 0.00 59.70 57.02 3krf h MET 81 Cb 2.00 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 33.50 3krf h MET 81 CO 0.18 0.79 -1.15 0.45 1.06 0.00 0.00 176.91 178.24 3krf h HIS 82 N 0.91 0.31 -0.21 -0.22 3.86 -1.27 -3.27 115.15 115.27 3krf h HIS 82 Ca 0.21 -0.23 -0.06 0.00 -1.16 0.00 0.00 60.37 59.13 3krf h HIS 82 Cb 0.24 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.68 3krf h HIS 82 CO 0.02 1.18 -0.15 0.22 0.86 0.00 0.00 177.93 180.05 3krf h ASP 83 N 0.05 0.34 1.48 2.45 3.58 -1.12 -3.05 116.42 120.15 3krf h ASP 83 Ca -0.09 -0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.27 3krf h ASP 83 Cb 1.90 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 42.86 3krf h ASP 83 CO 0.18 0.52 -0.03 0.44 -2.88 0.00 0.00 179.24 177.47 3krf h ASP 84 N 0.33 0.00 -3.36 2.28 3.32 -1.17 -1.27 116.42 116.54 3krf h ASP 84 Ca 0.06 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.54 3krf h ASP 84 Cb 0.47 0.00 0.15 0.00 0.22 0.00 0.00 39.33 40.17 3krf h ASP 84 CO 0.03 0.03 0.08 0.18 -1.72 0.00 0.00 179.24 177.83 3krf n LEU 85 N -3.11 3.03 -0.26 1.55 4.77 -1.15 -0.85 117.00 120.97 3krf n LEU 85 Ca 0.02 0.87 0.23 0.00 -0.03 0.00 0.00 56.01 57.10 3krf n LEU 85 Cb 0.43 -1.35 0.56 0.00 -2.33 0.00 0.00 43.42 40.73 3krf n LEU 85 CO 0.31 -1.88 1.24 -0.65 -1.33 0.00 0.00 177.39 175.08 3krf h PRO 86 N 0.78 0.30 0.00 3.23 0.11 -1.90 0.58 132.00 135.09 3krf h PRO 86 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3krf h PRO 86 Cb 1.36 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3krf h PRO 86 CO 0.52 0.20 0.00 0.00 -0.21 0.00 0.00 178.00 178.51 3krf n MET 88 N -1.44 0.00 0.03 0.00 2.81 0.19 -4.95 117.12 113.76 3krf n MET 88 Ca 0.09 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.09 3krf n MET 88 Cb 0.30 0.00 0.14 0.00 -0.71 0.00 0.00 33.22 32.94 3krf n MET 88 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3krf n ASP 89 N 0.00 0.63 -3.43 7.83 8.00 -0.48 -4.98 116.55 124.12 3krf n ASP 89 Ca 0.00 -0.09 -0.15 0.00 0.71 0.00 0.00 54.79 55.26 3krf n ASP 89 Cb 0.00 0.40 0.01 0.00 -0.02 0.00 0.00 41.12 41.51 3krf n ASP 89 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3krf n ASN 90 N -1.91 -6.32 -4.87 -2.24 5.15 -0.37 -4.97 115.26 99.74 3krf n ASN 90 Ca 0.03 -0.57 -0.21 0.00 -0.60 0.00 0.00 54.58 53.23 3krf n ASN 90 Cb 0.41 -3.75 -0.03 0.00 -0.53 0.00 0.00 39.78 35.88 3krf n ASN 90 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 3krf s ASP 91 N -3.10 5.41 0.00 1.20 -0.00 -0.03 -4.91 116.67 115.23 3krf s ASP 91 Ca 0.11 -0.43 0.00 0.00 -0.00 0.00 0.00 52.55 52.24 3krf s ASP 91 Cb -0.04 -1.06 0.00 0.00 -0.00 0.00 0.00 42.92 41.82 3krf s ASP 91 CO 0.82 -0.32 0.20 0.47 -0.00 0.00 0.00 175.17 176.34 3krf n ASP 92 N -1.38 0.41 -3.90 0.27 10.43 -1.26 -4.69 116.55 116.43 3krf n ASP 92 Ca -0.02 -0.70 -0.17 0.00 2.57 0.00 0.00 54.79 56.47 3krf n ASP 92 Cb 0.59 0.53 -0.15 0.00 1.84 0.00 0.00 41.12 43.93 3krf n ASP 92 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 3krf s LEU 93 N -1.06 1.63 -0.17 0.64 2.96 -1.26 -2.44 118.68 118.99 3krf s LEU 93 Ca 0.00 -0.07 -0.09 0.00 -0.22 0.00 0.00 54.13 53.75 3krf s LEU 93 Cb 0.00 -0.26 0.06 0.00 0.50 0.00 0.00 46.19 46.49 3krf s LEU 93 CO 0.00 -0.01 0.40 -0.60 -1.32 0.00 0.00 176.35 174.81 3krf s ARG 94 N 0.42 0.37 -1.16 1.98 6.06 -0.79 -2.53 118.95 123.29 3krf s ARG 94 Ca -0.04 0.78 -0.03 0.00 -2.50 0.00 0.00 55.73 53.93 3krf s ARG 94 Cb -0.08 -0.02 0.02 0.00 0.06 0.00 0.00 34.95 34.94 3krf s ARG 94 CO -0.01 -0.16 0.19 0.54 -2.50 0.00 0.00 175.30 173.36 3krf n ARG 95 N 4.32 -2.79 -0.94 5.12 1.74 -0.58 -2.12 116.66 121.41 3krf n ARG 95 Ca -0.23 0.59 0.00 0.00 -0.77 0.00 0.00 57.85 57.44 3krf n ARG 95 Cb 0.55 -5.24 0.00 0.00 -1.02 0.00 0.00 32.46 26.75 3krf n ARG 95 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3krf n GLY 96 N -0.97 0.73 3.38 -0.13 0.00 0.89 -4.75 105.19 104.34 3krf n GLY 96 Ca -0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.73 3krf n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3krf s LYS 97 N -0.06 1.50 0.54 1.61 1.02 -0.90 -5.10 119.74 118.36 3krf s LYS 97 Ca 0.00 -1.81 -0.22 0.00 0.02 0.00 0.00 55.97 53.96 3krf s LYS 97 Cb 0.00 -0.60 -0.05 0.00 -0.52 0.00 0.00 37.83 36.66 3krf s LYS 97 CO 0.00 -0.21 1.38 -2.14 -0.92 0.00 0.00 175.35 173.46 3krf s PRO 98 N -3.94 3.16 0.71 -1.68 0.02 -1.26 -1.89 135.00 130.12 3krf s PRO 98 Ca 0.36 2.28 -0.16 0.00 0.02 0.00 0.00 61.00 63.49 3krf s PRO 98 Cb 0.08 -2.29 0.00 0.00 0.02 0.00 0.00 34.50 32.31 3krf s PRO 98 CO 0.14 -1.19 0.95 0.25 -0.33 0.00 0.00 177.00 176.82 3krf n THR 99 N -0.98 2.87 -0.15 0.99 -2.24 -1.02 -4.70 114.28 109.06 3krf n THR 99 Ca 0.10 -0.38 -0.04 0.00 -2.27 0.00 0.00 64.05 61.46 3krf n THR 99 Cb 0.44 -1.09 0.02 0.00 -2.10 0.00 0.00 70.33 67.60 3krf n THR 99 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 3krf h ASN 100 N -0.20 -0.66 -0.41 3.42 -0.73 -1.91 -2.09 115.58 113.00 3krf h ASN 100 Ca -0.47 0.17 0.04 0.00 1.87 0.00 0.00 56.30 57.90 3krf h ASN 100 Cb 1.34 0.38 -0.02 0.00 0.27 0.00 0.00 38.32 40.28 3krf h ASN 100 CO 0.47 -0.22 0.28 1.12 -0.37 0.00 0.00 177.43 178.70 3krf h HIS 101 N -0.08 0.39 0.00 0.67 2.07 -1.89 -0.99 115.15 115.32 3krf h HIS 101 Ca 0.23 0.01 -0.03 0.00 -2.85 0.00 0.00 60.37 57.73 3krf h HIS 101 Cb 0.43 -0.13 -0.00 0.00 2.57 0.00 0.00 27.41 30.28 3krf h HIS 101 CO -0.46 0.23 -0.13 0.52 -3.07 0.00 0.00 177.93 175.01 3krf h MET 102 N 0.40 0.00 0.00 5.12 2.86 -1.67 0.97 114.93 122.61 3krf h MET 102 Ca 0.17 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.76 3krf h MET 102 Cb 0.18 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 3krf h MET 102 CO -0.04 0.13 -1.98 0.00 1.06 0.00 0.00 176.91 176.08 3krf n ALA 103 N -2.18 2.59 -0.12 6.32 0.00 -0.48 -4.62 120.51 122.03 3krf n ALA 103 Ca -0.00 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.82 3krf n ALA 103 Cb 0.35 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.11 3krf n ALA 103 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3krf n PHE 104 N -2.37 0.00 0.00 0.00 3.01 -0.60 -5.12 117.46 112.39 3krf n PHE 104 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.38 3krf n PHE 104 Cb 0.66 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.13 3krf n PHE 104 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3krf n GLY 105 N 0.43 1.76 0.20 1.37 0.00 0.33 -4.42 105.19 104.87 3krf n GLY 105 Ca 0.00 -1.79 -0.01 0.00 0.00 0.00 0.00 46.02 44.23 3krf n GLY 105 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3krf h GLU 106 N 0.00 0.21 0.43 1.61 5.08 -1.92 -2.64 114.58 117.36 3krf h GLU 106 Ca 0.00 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 3krf h GLU 106 Cb 0.00 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3krf h GLU 106 CO 0.00 0.54 -0.21 1.03 -1.00 0.00 0.00 179.01 179.37 3krf h SER 107 N 0.18 -0.49 -0.48 1.42 0.87 -1.93 -1.70 113.55 111.41 3krf h SER 107 Ca 0.02 -0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.53 3krf h SER 107 Cb 0.70 0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.77 3krf h SER 107 CO 0.05 -0.32 0.13 0.58 -0.53 0.00 0.00 176.83 176.74 3krf h VAL 108 N -0.62 1.22 -0.51 2.23 2.07 -1.76 -1.60 116.25 117.28 3krf h VAL 108 Ca -0.06 -0.81 -0.07 0.00 0.82 0.00 0.00 66.70 66.58 3krf h VAL 108 Cb 0.47 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 3krf h VAL 108 CO 0.10 0.30 0.04 0.00 0.02 0.00 0.00 177.57 178.03 3krf h ALA 109 N 1.35 0.68 0.03 1.67 0.00 -1.39 0.41 119.26 122.01 3krf h ALA 109 Ca 0.17 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3krf h ALA 109 Cb 0.29 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3krf h ALA 109 CO -0.00 0.46 -0.02 0.28 0.00 0.00 0.00 179.25 179.97 3krf h VAL 110 N 0.74 1.17 -0.75 0.00 2.07 -0.94 -2.09 116.25 116.46 3krf h VAL 110 Ca 0.15 -0.65 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 3krf h VAL 110 Cb 0.47 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 3krf h VAL 110 CO 0.02 0.17 0.45 -0.07 0.02 0.00 0.00 177.57 178.16 3krf h LEU 111 N -0.33 0.90 -0.94 2.57 3.38 -1.00 -0.30 115.31 119.58 3krf h LEU 111 Ca -0.00 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 3krf h LEU 111 Cb 0.31 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3krf h LEU 111 CO 0.01 0.69 -0.50 0.00 0.09 0.00 0.00 178.44 178.73 3krf h ALA 112 N 1.24 1.12 0.23 1.53 0.00 -0.24 0.12 119.26 123.26 3krf h ALA 112 Ca 0.27 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3krf h ALA 112 Cb -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3krf h ALA 112 CO -0.05 0.64 -0.11 0.78 0.00 0.00 0.00 179.25 180.51 3krf h GLY 113 N 1.47 -0.32 0.51 0.00 0.00 -0.59 -1.57 103.07 102.56 3krf h GLY 113 Ca -0.00 0.12 0.11 0.00 0.00 0.00 0.00 47.33 47.56 3krf h GLY 113 CO 0.07 -0.12 0.61 -0.55 0.00 0.00 0.00 176.54 176.55 3krf h ASP 114 N -0.52 0.90 -0.45 0.19 3.32 -0.89 -1.47 116.42 117.50 3krf h ASP 114 Ca -0.03 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 3krf h ASP 114 Cb 0.39 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 3krf h ASP 114 CO 0.05 0.49 0.28 0.00 -1.72 0.00 0.00 179.24 178.34 3krf h ALA 115 N 1.51 0.57 -0.47 3.45 0.00 -0.76 -2.06 119.26 121.50 3krf h ALA 115 Ca 0.47 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.27 3krf h ALA 115 Cb 0.43 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3krf h ALA 115 CO -0.25 0.05 0.05 -0.07 0.00 0.00 0.00 179.25 179.03 3krf h LEU 116 N 0.60 0.71 -0.09 0.00 3.38 -0.38 -1.04 115.31 118.49 3krf h LEU 116 Ca 0.16 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3krf h LEU 116 Cb -0.02 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 3krf h LEU 116 CO -0.03 0.75 0.02 0.25 0.09 0.00 0.00 178.44 179.52 3krf h LEU 117 N 0.71 0.14 -0.06 1.67 5.85 -0.71 -1.14 115.31 121.78 3krf h LEU 117 Ca 0.15 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 3krf h LEU 117 Cb 0.37 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 3krf h LEU 117 CO 0.01 0.35 -0.01 -1.28 -0.34 0.00 0.00 178.44 177.16 3krf h SER 118 N -0.07 0.11 0.00 1.25 0.87 -1.34 -3.00 113.55 111.38 3krf h SER 118 Ca 0.03 -0.35 -0.00 0.00 -1.23 0.00 0.00 61.79 60.24 3krf h SER 118 Cb 0.26 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.19 3krf h SER 118 CO 0.00 0.44 -0.00 0.15 -0.53 0.00 0.00 176.83 176.89 3krf h PHE 119 N -0.22 0.00 -0.45 2.24 3.04 -1.18 -1.49 116.94 118.88 3krf h PHE 119 Ca 0.02 0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.89 3krf h PHE 119 Cb 0.39 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.88 3krf h PHE 119 CO 0.05 0.00 -0.01 0.00 -2.02 0.00 0.00 178.31 176.33 3krf h ALA 120 N 2.00 1.14 -0.17 2.41 0.00 -1.05 0.21 119.26 123.79 3krf h ALA 120 Ca -0.00 -0.26 -0.19 0.00 0.00 0.00 0.00 54.91 54.46 3krf h ALA 120 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3krf h ALA 120 CO 0.00 0.55 -0.67 0.74 0.00 0.00 0.00 179.25 179.88 3krf h PHE 121 N 0.70 0.85 -0.13 0.00 0.04 -1.36 -2.19 116.94 114.84 3krf h PHE 121 Ca 0.14 -0.34 -0.01 0.00 2.80 0.00 0.00 57.97 60.55 3krf h PHE 121 Cb 0.45 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 3krf h PHE 121 CO 0.02 1.13 0.03 1.49 -0.60 0.00 0.00 178.31 180.39 3krf h GLU 122 N 0.47 0.20 -0.29 1.51 4.81 -0.78 -2.03 114.58 118.47 3krf h GLU 122 Ca -0.02 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3krf h GLU 122 Cb 1.26 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 3krf h GLU 122 CO 0.13 0.36 0.15 1.25 -0.73 0.00 0.00 179.01 180.17 3krf h HIS 123 N 0.01 0.40 -0.75 0.92 2.76 -0.64 0.10 115.15 117.96 3krf h HIS 123 Ca 0.04 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.15 3krf h HIS 123 Cb 0.24 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 29.04 3krf h HIS 123 CO 0.00 0.33 0.27 0.28 -1.30 0.00 0.00 177.93 177.52 3krf h VAL 124 N 0.34 1.26 -0.25 5.26 2.07 -1.36 0.99 116.25 124.57 3krf h VAL 124 Ca 0.10 -0.84 -0.04 0.00 0.82 0.00 0.00 66.70 66.73 3krf h VAL 124 Cb 0.07 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 3krf h VAL 124 CO -0.02 0.34 -0.02 0.00 0.02 0.00 0.00 177.57 177.90 3krf h ALA 125 N 1.19 0.33 0.00 1.67 0.00 -1.15 -3.05 119.26 118.26 3krf h ALA 125 Ca 0.25 -0.23 -0.25 0.00 0.00 0.00 0.00 54.91 54.67 3krf h ALA 125 Cb 0.25 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3krf h ALA 125 CO -0.02 0.08 -1.71 0.00 0.00 0.00 0.00 179.25 177.61 3krf n ALA 126 N -2.36 1.69 0.58 0.00 0.00 0.34 -4.48 120.51 116.29 3krf n ALA 126 Ca -0.04 -0.76 0.11 0.00 0.00 0.00 0.00 53.44 52.75 3krf n ALA 126 Cb 0.26 -0.79 -0.10 0.00 0.00 0.00 0.00 19.45 18.82 3krf n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3krf n ALA 127 N -2.52 3.82 -2.07 0.00 0.00 0.34 -4.93 120.51 115.16 3krf n ALA 127 Ca -0.16 -0.53 -0.42 0.00 0.00 0.00 0.00 53.44 52.33 3krf n ALA 127 Cb 0.98 -0.81 -0.03 0.00 0.00 0.00 0.00 19.45 19.58 3krf n ALA 127 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3krf s THR 128 N -3.21 3.10 0.15 0.00 2.01 -1.15 -4.93 115.64 111.62 3krf s THR 128 Ca 0.02 0.74 0.09 0.00 0.31 0.00 0.00 61.69 62.85 3krf s THR 128 Cb 0.15 -3.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 3krf s THR 128 CO 0.86 0.04 -0.20 -0.54 -0.69 0.00 0.00 174.62 174.10 3krf s LYS 129 N 1.47 1.29 0.00 4.92 -0.14 -1.26 -4.77 119.74 121.25 3krf s LYS 129 Ca 0.67 -1.37 0.00 0.00 -1.36 0.00 0.00 55.97 53.91 3krf s LYS 129 Cb -0.39 -1.45 0.00 0.00 -1.68 0.00 0.00 37.83 34.31 3krf s LYS 129 CO 0.30 0.31 0.00 0.41 -0.76 0.00 0.00 175.35 175.61 3krf n GLY 130 N 0.49 0.56 3.02 -3.33 0.00 -1.26 -4.50 105.19 100.17 3krf n GLY 130 Ca -0.15 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 3krf n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3krf s ALA 131 N -2.00 -0.41 0.75 4.61 0.00 -1.26 -5.00 121.76 118.45 3krf s ALA 131 Ca 0.00 0.60 -0.13 0.00 0.00 0.00 0.00 51.96 52.42 3krf s ALA 131 Cb 0.00 -0.37 0.05 0.00 0.00 0.00 0.00 23.12 22.81 3krf s ALA 131 CO 0.00 -0.11 1.15 -1.25 0.00 0.00 0.00 175.76 175.55 3krf s PRO 132 N 0.48 2.11 0.36 0.00 0.04 -1.26 -4.84 135.00 131.89 3krf s PRO 132 Ca -0.03 1.53 0.07 0.00 0.04 0.00 0.00 61.00 62.61 3krf s PRO 132 Cb -0.05 -1.85 0.77 0.00 0.04 0.00 0.00 34.50 33.41 3krf s PRO 132 CO -0.02 -1.81 1.93 -1.35 0.04 0.00 0.00 177.00 175.79 3krf h PRO 133 N -0.65 0.71 0.00 0.56 0.11 -2.00 -1.13 132.00 129.60 3krf h PRO 133 Ca -0.46 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 3krf h PRO 133 Cb 1.27 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3krf h PRO 133 CO 0.49 0.47 -0.22 0.93 -0.21 0.00 0.00 178.00 179.47 3krf h GLU 134 N 0.73 0.00 0.04 1.05 3.07 -1.99 -1.84 114.58 115.63 3krf h GLU 134 Ca 0.35 0.00 -0.27 0.00 -0.50 0.00 0.00 59.36 58.94 3krf h GLU 134 Cb 0.40 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.33 3krf h GLU 134 CO -0.13 0.22 -1.09 -0.09 -1.40 0.00 0.00 179.01 176.52 3krf h ARG 135 N 0.00 0.62 0.02 2.33 2.43 -1.57 -2.60 114.38 115.62 3krf h ARG 135 Ca -0.00 -0.72 -0.00 0.00 -0.81 0.00 0.00 59.98 58.45 3krf h ARG 135 Cb 0.61 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 3krf h ARG 135 CO 0.03 1.30 -0.01 0.82 -1.51 0.00 0.00 179.97 180.60 3krf h ILE 136 N 0.33 1.19 -0.55 1.20 2.04 -1.19 -1.80 117.51 118.73 3krf h ILE 136 Ca -0.14 -0.67 0.11 0.00 1.00 0.00 0.00 64.86 65.16 3krf h ILE 136 Cb 1.74 1.64 -0.09 0.00 -0.74 0.00 0.00 36.82 39.37 3krf h ILE 136 CO 0.21 0.17 0.02 0.58 0.00 0.00 0.00 178.15 179.13 3krf h VAL 137 N -0.32 0.58 -0.70 1.67 2.07 -1.43 0.35 116.25 118.47 3krf h VAL 137 Ca -0.00 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.49 3krf h VAL 137 Cb 0.30 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 3krf h VAL 137 CO 0.01 0.03 0.45 -0.09 0.02 0.00 0.00 177.57 177.98 3krf h ARG 138 N 0.14 0.87 -0.61 1.57 2.43 -1.33 -1.34 114.38 116.11 3krf h ARG 138 Ca 0.28 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.31 3krf h ARG 138 Cb 0.44 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 3krf h ARG 138 CO -0.45 0.58 0.04 0.28 -1.51 0.00 0.00 179.97 178.91 3krf h VAL 139 N 0.90 1.26 -0.73 0.20 2.07 -0.15 -2.19 116.25 117.61 3krf h VAL 139 Ca 0.27 -1.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 3krf h VAL 139 Cb -0.04 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 3krf h VAL 139 CO -0.08 0.40 0.39 -0.07 0.02 0.00 0.00 177.57 178.23 3krf h LEU 140 N 0.95 0.91 -1.09 2.57 3.38 0.65 -1.55 115.31 121.14 3krf h LEU 140 Ca 0.18 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 3krf h LEU 140 Cb 0.51 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3krf h LEU 140 CO 0.02 0.74 -0.13 1.23 0.09 0.00 0.00 178.44 180.40 3krf h GLY 141 N 1.07 0.54 1.28 0.83 0.00 -1.07 -0.75 103.07 104.97 3krf h GLY 141 Ca 0.26 -0.37 -0.15 0.00 0.00 0.00 0.00 47.33 47.07 3krf h GLY 141 CO -0.04 0.35 -0.37 0.83 0.00 0.00 0.00 176.54 177.30 3krf h GLU 142 N 0.46 0.80 -0.42 4.80 4.39 -0.68 -1.30 114.58 122.63 3krf h GLU 142 Ca 0.09 -0.40 -0.07 0.00 0.34 0.00 0.00 59.36 59.32 3krf h GLU 142 Cb 0.50 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 3krf h GLU 142 CO 0.03 1.03 0.01 1.25 -1.16 0.00 0.00 179.01 180.17 3krf h LEU 143 N 0.66 0.72 0.48 1.33 5.85 -1.17 -1.15 115.31 122.03 3krf h LEU 143 Ca 0.06 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.45 3krf h LEU 143 Cb 0.93 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.77 3krf h LEU 143 CO 0.09 0.85 -0.23 0.00 -0.34 0.00 0.00 178.44 178.80 3krf h ALA 144 N 0.90 -0.65 -0.86 1.25 0.00 -0.98 -2.66 119.26 116.26 3krf h ALA 144 Ca 0.12 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 54.96 3krf h ALA 144 Cb 0.48 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 3krf h ALA 144 CO 0.02 -0.77 0.55 0.28 0.00 0.00 0.00 179.25 179.33 3krf h VAL 145 N -0.83 0.93 0.00 0.00 2.07 -1.22 -2.25 116.25 114.94 3krf h VAL 145 Ca -0.07 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.19 3krf h VAL 145 Cb 0.57 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 3krf h VAL 145 CO 0.11 0.14 0.00 -1.54 0.02 0.00 0.00 177.57 176.30 3krf n SER 146 N -4.53 0.33 -0.31 0.57 3.41 -0.44 -3.66 113.62 108.99 3krf n SER 146 Ca 0.15 0.54 0.04 0.00 -0.26 0.00 0.00 58.87 59.34 3krf n SER 146 Cb 0.35 -0.63 0.03 0.00 -0.26 0.00 0.00 64.21 63.71 3krf n SER 146 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3krf n ILE 147 N -1.82 0.00 -0.91 -1.33 -5.35 -0.88 -1.88 119.36 107.18 3krf n ILE 147 Ca 0.05 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 62.04 3krf n ILE 147 Cb 0.33 1.16 0.00 0.00 -1.74 0.00 0.00 39.64 39.39 3krf n ILE 147 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3krf n GLY 148 N 0.48 2.16 0.13 3.28 0.00 -1.00 -2.48 105.19 107.75 3krf n GLY 148 Ca 0.05 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.20 3krf n GLY 148 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3krf n SER 149 N 0.00 0.16 -0.60 1.61 3.41 -1.26 -0.71 113.62 116.23 3krf n SER 149 Ca 0.00 -1.24 0.02 0.00 -0.26 0.00 0.00 58.87 57.40 3krf n SER 149 Cb 0.00 -0.08 0.03 0.00 -0.26 0.00 0.00 64.21 63.90 3krf n SER 149 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3krf n GLU 150 N -0.32 0.22 0.00 4.33 1.02 -1.26 -4.57 120.64 120.05 3krf n GLU 150 Ca 0.00 -1.44 0.00 0.00 -0.02 0.00 0.00 57.16 55.70 3krf n GLU 150 Cb 0.04 -0.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.87 3krf n GLU 150 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3krf n GLY 151 N -0.15 3.82 0.44 0.62 0.00 0.12 -4.82 105.19 105.22 3krf n GLY 151 Ca 0.04 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 45.69 3krf n GLY 151 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3krf h LEU 152 N 0.00 -1.88 -0.82 0.99 6.46 -0.93 -2.00 115.31 117.13 3krf h LEU 152 Ca 0.00 0.26 0.01 0.00 -0.12 0.00 0.00 57.88 58.04 3krf h LEU 152 Cb 0.00 0.80 -0.04 0.00 -0.73 0.00 0.00 40.66 40.68 3krf h LEU 152 CO 0.00 -0.36 0.54 0.58 -0.62 0.00 0.00 178.44 178.58 3krf h VAL 153 N -0.29 1.20 -0.88 1.05 2.07 -1.35 -1.69 116.25 116.35 3krf h VAL 153 Ca 0.11 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 3krf h VAL 153 Cb 0.55 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.29 3krf h VAL 153 CO -0.68 0.20 0.53 0.00 0.02 0.00 0.00 177.57 177.63 3krf h ALA 154 N 1.31 1.28 -0.65 1.67 0.00 -0.96 -1.11 119.26 120.80 3krf h ALA 154 Ca 0.30 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 3krf h ALA 154 Cb -0.11 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.31 3krf h ALA 154 CO -0.07 0.62 0.09 0.78 0.00 0.00 0.00 179.25 180.66 3krf h GLY 155 N 1.22 1.17 1.03 0.00 0.00 -0.70 -2.01 103.07 103.77 3krf h GLY 155 Ca 0.31 -0.79 -0.13 0.00 0.00 0.00 0.00 47.33 46.72 3krf h GLY 155 CO -0.06 0.73 -0.32 -1.61 0.00 0.00 0.00 176.54 175.28 3krf h GLN 156 N 1.01 0.79 -0.24 4.80 5.75 -1.00 -1.94 115.11 124.27 3krf h GLN 156 Ca 0.20 -0.42 -0.13 0.00 -0.15 0.00 0.00 58.65 58.15 3krf h GLN 156 Cb 0.46 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 29.03 3krf h GLN 156 CO 0.02 1.05 -0.36 -0.39 -2.65 0.00 0.00 178.83 176.49 3krf h VAL 157 N 0.56 1.31 0.00 2.39 -1.51 -1.15 -1.60 116.25 116.24 3krf h VAL 157 Ca 0.05 -1.56 -0.03 0.00 -1.23 0.00 0.00 66.70 63.93 3krf h VAL 157 Cb 0.90 1.74 -0.00 0.00 -2.13 0.00 0.00 31.29 31.80 3krf h VAL 157 CO 0.08 0.49 -0.15 0.58 -1.23 0.00 0.00 177.57 177.34 3krf h VAL 158 N 0.37 0.77 0.53 7.19 2.07 -1.41 -1.07 116.25 124.70 3krf h VAL 158 Ca 0.02 -0.61 -0.03 0.00 0.82 0.00 0.00 66.70 66.91 3krf h VAL 158 Cb 0.95 1.37 0.01 0.00 -1.52 0.00 0.00 31.29 32.09 3krf h VAL 158 CO 0.08 0.15 -0.25 -0.78 0.02 0.00 0.00 177.57 176.79 3krf h ASP 159 N 0.00 -0.60 0.16 0.57 3.58 -0.97 0.23 116.42 119.40 3krf h ASP 159 Ca -0.00 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.44 3krf h ASP 159 Cb 0.35 0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.56 3krf h ASP 159 CO 0.02 -0.34 -0.13 -0.37 -2.88 0.00 0.00 179.24 175.54 3krf h VAL 160 N -0.88 0.99 -0.01 2.25 -1.51 -1.20 -2.11 116.25 113.79 3krf h VAL 160 Ca -0.07 -0.46 0.00 0.00 -1.23 0.00 0.00 66.70 64.94 3krf h VAL 160 Cb 0.54 1.26 0.00 0.00 -2.13 0.00 0.00 31.29 30.96 3krf h VAL 160 CO 0.12 0.13 -0.03 0.00 -1.23 0.00 0.00 177.57 176.55 3krf n SER 162 N -0.61 1.89 -0.66 0.00 2.88 0.06 -4.75 113.62 112.44 3krf n SER 162 Ca 0.19 -3.00 0.13 0.00 -1.33 0.00 0.00 58.87 54.86 3krf n SER 162 Cb 0.24 -0.42 0.38 0.00 -0.75 0.00 0.00 64.21 63.66 3krf n SER 162 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 3krf n GLU 163 N -0.44 1.90 -0.00 -1.46 2.13 -1.16 -3.48 120.64 118.13 3krf n GLU 163 Ca 0.16 -1.31 0.04 0.00 0.66 0.00 0.00 57.16 56.71 3krf n GLU 163 Cb 0.90 -1.46 -0.06 0.00 0.27 0.00 0.00 31.44 31.09 3krf n GLU 163 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3krf n GLY 164 N 1.23 -0.10 3.56 8.31 0.00 -1.26 -3.28 105.19 113.65 3krf n GLY 164 Ca 0.17 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 3krf n GLY 164 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3krf n MET 165 N -1.51 1.42 -0.01 1.61 0.00 -1.23 -4.77 117.12 112.65 3krf n MET 165 Ca -0.00 0.28 0.10 0.00 0.00 0.00 0.00 57.70 58.07 3krf n MET 165 Cb 0.18 -3.16 -0.14 0.00 0.00 0.00 0.00 33.22 30.10 3krf n MET 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3krf n ALA 166 N 13.08 3.44 -1.31 -5.12 0.00 -1.26 -4.25 120.51 125.09 3krf n ALA 166 Ca 0.35 -0.51 -0.33 0.00 0.00 0.00 0.00 53.44 52.95 3krf n ALA 166 Cb 0.44 -0.70 0.09 0.00 0.00 0.00 0.00 19.45 19.29 3krf n ALA 166 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3krf n GLU 167 N -1.92 2.62 -1.76 0.00 4.71 -1.26 -4.98 120.64 118.05 3krf n GLU 167 Ca -0.01 -3.24 -0.26 0.00 -0.01 0.00 0.00 57.16 53.63 3krf n GLU 167 Cb 0.44 -2.27 -0.05 0.00 -1.01 0.00 0.00 31.44 28.55 3krf n GLU 167 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 3krf s VAL 168 N -4.60 3.17 0.59 2.62 -7.23 -1.26 -4.99 120.40 108.70 3krf s VAL 168 Ca 0.64 -0.06 -0.19 0.00 -1.81 0.00 0.00 61.98 60.56 3krf s VAL 168 Cb 0.50 -3.41 -0.04 0.00 0.56 0.00 0.00 36.38 34.00 3krf s VAL 168 CO 0.01 -0.39 1.19 -0.83 -0.31 0.00 0.00 175.10 174.76 3krf s GLY 169 N 10.07 2.68 0.47 2.32 0.00 -1.26 -4.81 107.32 116.79 3krf s GLY 169 Ca 0.84 0.94 0.16 0.00 0.00 0.00 0.00 44.72 46.66 3krf s GLY 169 CO 0.12 1.33 2.05 1.41 0.00 0.00 0.00 173.10 178.01 3krf h LEU 170 N 0.88 0.00 -1.61 0.66 3.38 -1.98 -0.19 115.31 116.45 3krf h LEU 170 Ca -0.50 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.42 3krf h LEU 170 Cb 1.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 3krf h LEU 170 CO 0.55 0.12 -0.21 0.44 0.09 0.00 0.00 178.44 179.43 3krf h ASP 171 N 0.00 0.00 0.14 -0.43 5.19 -1.99 0.20 116.42 119.54 3krf h ASP 171 Ca -0.00 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.15 3krf h ASP 171 Cb 0.22 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.74 3krf h ASP 171 CO 0.02 0.21 -1.23 -0.74 -3.12 0.00 0.00 179.24 174.37 3krf h HIS 172 N 0.00 0.55 0.00 4.55 2.76 -1.46 -2.82 115.15 118.73 3krf h HIS 172 Ca -0.00 -0.40 -0.05 0.00 -2.20 0.00 0.00 60.37 57.72 3krf h HIS 172 Cb 0.44 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.38 3krf h HIS 172 CO 0.00 1.48 -0.23 1.25 -1.30 0.00 0.00 177.93 179.13 3krf h LEU 173 N -0.26 0.00 -0.19 0.26 5.85 -0.80 -2.29 115.31 117.88 3krf h LEU 173 Ca -0.25 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.26 3krf h LEU 173 Cb 1.78 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.80 3krf h LEU 173 CO 0.12 0.23 -0.95 -0.33 -0.34 0.00 0.00 178.44 177.17 3krf h GLU 174 N 0.00 0.21 -0.72 1.25 3.07 -0.69 -2.66 114.58 115.04 3krf h GLU 174 Ca -0.00 -0.26 -0.01 0.00 -0.50 0.00 0.00 59.36 58.59 3krf h GLU 174 Cb 0.43 0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.38 3krf h GLU 174 CO 0.03 1.01 0.41 0.35 -1.40 0.00 0.00 179.01 179.41 3krf h PHE 175 N 0.11 0.98 0.61 4.33 3.04 -1.15 0.83 116.94 125.68 3krf h PHE 175 Ca -0.06 -0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.84 3krf h PHE 175 Cb 1.60 -0.32 0.01 0.00 2.56 0.00 0.00 35.95 39.80 3krf h PHE 175 CO 0.03 0.69 -0.29 0.82 -2.02 0.00 0.00 178.31 177.54 3krf h ILE 176 N 0.99 0.00 -0.62 1.41 2.04 -1.45 -2.18 117.51 117.71 3krf h ILE 176 Ca 0.26 -0.09 0.07 0.00 1.00 0.00 0.00 64.86 66.09 3krf h ILE 176 Cb 0.02 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.04 3krf h ILE 176 CO -0.04 0.00 0.30 0.45 0.00 0.00 0.00 178.15 178.86 3krf h HIS 177 N -0.91 0.55 -0.28 1.37 3.86 -1.44 0.65 115.15 118.96 3krf h HIS 177 Ca -0.08 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.20 3krf h HIS 177 Cb 0.62 -0.15 -0.04 0.00 1.06 0.00 0.00 27.41 28.90 3krf h HIS 177 CO 0.06 0.23 0.02 1.25 0.86 0.00 0.00 177.93 180.35 3krf h HIS 178 N 0.55 0.02 0.00 2.45 -0.00 -0.90 -1.57 115.15 115.71 3krf h HIS 178 Ca 0.29 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.64 3krf h HIS 178 Cb 0.26 0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.71 3krf h HIS 178 CO -0.11 -0.02 -0.17 0.45 -0.00 0.00 0.00 177.93 178.07 3krf h HIS 179 N 0.11 0.17 0.00 5.26 -0.00 -0.66 0.53 115.15 120.55 3krf h HIS 179 Ca 0.13 -0.09 0.00 0.00 -0.00 0.00 0.00 60.37 60.41 3krf h HIS 179 Cb 0.16 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.55 3krf h HIS 179 CO -0.19 0.91 0.00 1.57 -0.00 0.00 0.00 177.93 180.21 3krf h LYS 180 N -0.62 0.00 0.00 2.45 2.10 0.21 -2.56 116.57 118.15 3krf h LYS 180 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 3krf h LYS 180 Cb 0.96 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.29 3krf h LYS 180 CO 0.03 0.00 -0.49 2.41 -2.00 0.00 0.00 179.45 179.40 3krf n THR 181 N -2.39 0.00 0.05 0.07 -1.04 -0.74 -4.79 114.28 105.43 3krf n THR 181 Ca 0.04 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.98 3krf n THR 181 Cb 0.35 -0.62 0.09 0.00 -1.82 0.00 0.00 70.33 68.34 3krf n THR 181 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3krf h ALA 182 N 0.00 0.77 -0.59 2.41 0.00 -0.23 -3.10 119.26 118.53 3krf h ALA 182 Ca 0.00 -0.53 0.05 0.00 0.00 0.00 0.00 54.91 54.43 3krf h ALA 182 Cb 0.49 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 3krf h ALA 182 CO 0.00 0.71 0.31 0.00 0.00 0.00 0.00 179.25 180.27 3krf h ALA 183 N 1.08 0.77 -0.44 0.00 0.00 -0.14 -0.69 119.26 119.85 3krf h ALA 183 Ca -0.00 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 3krf h ALA 183 Cb 1.10 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3krf h ALA 183 CO 0.10 -0.03 -0.20 1.25 0.00 0.00 0.00 179.25 180.37 3krf h LEU 184 N 0.58 0.94 -0.78 0.00 5.85 -1.67 -2.47 115.31 117.77 3krf h LEU 184 Ca 0.26 -0.40 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 3krf h LEU 184 Cb 0.17 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 3krf h LEU 184 CO -0.17 1.13 0.39 -0.07 -0.34 0.00 0.00 178.44 179.37 3krf h LEU 185 N 0.74 1.00 0.04 2.25 3.38 -1.36 -1.69 115.31 119.69 3krf h LEU 185 Ca 0.10 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.96 3krf h LEU 185 Cb 0.77 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 3krf h LEU 185 CO 0.06 0.84 -0.16 1.56 0.09 0.00 0.00 178.44 180.84 3krf h GLN 186 N 1.09 -0.27 -0.95 1.13 4.20 -1.10 -1.38 115.11 117.82 3krf h GLN 186 Ca 0.27 0.02 0.15 0.00 0.06 0.00 0.00 58.65 59.15 3krf h GLN 186 Cb 0.09 0.06 -0.09 0.00 0.30 0.00 0.00 27.48 27.84 3krf h GLN 186 CO -0.04 -0.18 0.57 0.78 -0.67 0.00 0.00 178.83 179.29 3krf h GLY 187 N -0.28 1.61 1.02 3.46 0.00 -1.28 0.48 103.07 108.07 3krf h GLY 187 Ca 0.04 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 3krf h GLY 187 CO -0.12 0.03 0.36 1.76 0.00 0.00 0.00 176.54 178.57 3krf h SER 188 N 0.81 0.98 0.45 0.19 0.02 -0.33 0.85 113.55 116.53 3krf h SER 188 Ca 0.51 -0.13 -0.21 0.00 -0.84 0.00 0.00 61.79 61.12 3krf h SER 188 Cb 0.66 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 3krf h SER 188 CO -0.33 0.84 -0.89 0.58 -1.14 0.00 0.00 176.83 175.89 3krf h VAL 189 N 1.05 1.44 -0.15 2.27 2.07 -0.24 -3.11 116.25 119.58 3krf h VAL 189 Ca 0.26 -2.50 -0.11 0.00 0.82 0.00 0.00 66.70 65.16 3krf h VAL 189 Cb 0.12 2.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 3krf h VAL 189 CO -0.03 0.74 -0.35 0.58 0.02 0.00 0.00 177.57 178.52 3krf h VAL 190 N 0.17 1.36 -0.86 2.57 2.07 0.31 -1.38 116.25 120.49 3krf h VAL 190 Ca -0.06 -1.62 0.08 0.00 0.82 0.00 0.00 66.70 65.92 3krf h VAL 190 Cb 1.51 2.01 -0.07 0.00 -1.52 0.00 0.00 31.29 33.22 3krf h VAL 190 CO 0.14 0.49 0.52 -0.07 0.02 0.00 0.00 177.57 178.68 3krf h LEU 191 N 0.12 0.80 -0.04 2.57 3.38 -0.93 0.49 115.31 121.70 3krf h LEU 191 Ca -0.00 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3krf h LEU 191 Cb 0.96 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 3krf h LEU 191 CO 0.08 0.49 -0.03 1.23 0.09 0.00 0.00 178.44 180.29 3krf h GLY 192 N 0.92 0.11 0.64 0.83 0.00 -1.47 -0.80 103.07 103.30 3krf h GLY 192 Ca 0.39 -0.10 0.07 0.00 0.00 0.00 0.00 47.33 47.69 3krf h GLY 192 CO -0.20 0.09 0.46 0.00 0.00 0.00 0.00 176.54 176.89 3krf h ALA 193 N 0.56 1.09 -0.25 3.60 0.00 -0.96 0.10 119.26 123.39 3krf h ALA 193 Ca 0.01 0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.75 3krf h ALA 193 Cb 0.51 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3krf h ALA 193 CO 0.01 0.14 -0.54 0.82 0.00 0.00 0.00 179.25 179.68 3krf h ILE 194 N 0.82 1.29 0.00 0.00 2.04 -0.90 -0.85 117.51 119.92 3krf h ILE 194 Ca 0.36 -1.75 -0.04 0.00 1.00 0.00 0.00 64.86 64.43 3krf h ILE 194 Cb 0.24 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 3krf h ILE 194 CO -0.20 0.56 -0.19 -0.07 0.00 0.00 0.00 178.15 178.25 3krf h LEU 195 N 0.58 0.00 -0.40 1.44 3.38 -0.58 -2.43 115.31 117.30 3krf h LEU 195 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3krf h LEU 195 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3krf h LEU 195 CO 0.11 0.19 0.00 0.61 0.09 0.00 0.00 178.44 179.44 3krf n GLY 196 N 0.34 -0.54 1.32 0.83 0.00 -0.03 -4.90 105.19 102.21 3krf n GLY 196 Ca 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3krf n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3krf n GLY 197 N 0.93 0.64 3.76 -0.02 0.00 -0.91 -3.38 105.19 106.21 3krf n GLY 197 Ca 0.15 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 3krf n GLY 197 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3krf s GLY 198 N -2.24 2.91 0.53 -0.02 0.00 -0.33 -5.00 107.32 103.17 3krf s GLY 198 Ca 0.00 1.42 -0.16 0.00 0.00 0.00 0.00 44.72 45.97 3krf s GLY 198 CO 0.00 1.99 1.00 0.54 0.00 0.00 0.00 173.10 176.63 3krf s LYS 199 N -2.66 3.83 0.50 2.90 3.01 -1.26 -4.79 119.74 121.26 3krf s LYS 199 Ca 0.66 1.01 0.31 0.00 -1.01 0.00 0.00 55.97 56.93 3krf s LYS 199 Cb -0.42 -2.12 1.42 0.00 -1.01 0.00 0.00 37.83 35.70 3krf s LYS 199 CO 0.53 -0.38 1.81 0.93 0.51 0.00 0.00 175.35 178.75 3krf h GLU 200 N 0.83 0.10 -0.10 1.68 4.39 -1.99 0.16 114.58 119.65 3krf h GLU 200 Ca -0.47 -0.01 -0.22 0.00 0.34 0.00 0.00 59.36 59.00 3krf h GLU 200 Cb 1.19 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.83 3krf h GLU 200 CO 0.61 0.07 -0.83 1.49 -1.16 0.00 0.00 179.01 179.18 3krf h GLU 201 N 0.11 0.67 -0.52 2.33 4.81 -1.98 -0.34 114.58 119.65 3krf h GLU 201 Ca 0.55 -0.59 -0.09 0.00 -0.13 0.00 0.00 59.36 59.10 3krf h GLU 201 Cb 1.98 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 31.47 3krf h GLU 201 CO -0.09 1.20 -0.03 0.93 -0.73 0.00 0.00 179.01 180.29 3krf h GLU 202 N 0.44 0.94 -0.27 1.92 5.08 -1.11 0.16 114.58 121.74 3krf h GLU 202 Ca -0.06 -0.31 0.01 0.00 -1.00 0.00 0.00 59.36 57.99 3krf h GLU 202 Cb 1.45 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.61 3krf h GLU 202 CO 0.16 0.97 0.17 0.28 -1.00 0.00 0.00 179.01 179.60 3krf h VAL 203 N 0.81 1.05 -0.66 3.13 2.07 -1.13 -0.05 116.25 121.47 3krf h VAL 203 Ca 0.14 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.55 3krf h VAL 203 Cb 0.57 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 3krf h VAL 203 CO 0.03 0.06 0.43 0.00 0.02 0.00 0.00 177.57 178.12 3krf h ALA 204 N 1.11 0.84 -0.51 1.67 0.00 -0.88 0.21 119.26 121.69 3krf h ALA 204 Ca 0.10 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 3krf h ALA 204 Cb -0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3krf h ALA 204 CO -0.03 0.27 -0.13 0.87 0.00 0.00 0.00 179.25 180.23 3krf h LYS 205 N 0.89 0.98 -0.03 0.00 1.79 -0.63 -2.25 116.57 117.31 3krf h LYS 205 Ca 0.24 -0.36 -0.15 0.00 -2.18 0.00 0.00 60.65 58.19 3krf h LYS 205 Cb -0.09 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.48 3krf h LYS 205 CO -0.05 1.03 -0.68 -0.07 -1.08 0.00 0.00 179.45 178.61 3krf h LEU 206 N 0.87 0.19 0.02 2.94 3.38 -0.63 -1.20 115.31 120.89 3krf h LEU 206 Ca 0.13 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3krf h LEU 206 Cb 0.68 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 3krf h LEU 206 CO 0.05 0.81 -0.01 -0.09 0.09 0.00 0.00 178.44 179.29 3krf h ARG 207 N 0.11 -0.03 0.38 1.13 2.43 -0.45 0.27 114.38 118.22 3krf h ARG 207 Ca -0.01 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3krf h ARG 207 Cb 1.21 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.75 3krf h ARG 207 CO 0.10 -0.02 -0.31 -0.22 -1.51 0.00 0.00 179.97 178.01 3krf h LYS 208 N -0.03 -0.67 -0.66 0.20 3.64 -1.36 0.30 116.57 118.00 3krf h LYS 208 Ca -0.00 0.05 0.14 0.00 -1.27 0.00 0.00 60.65 59.56 3krf h LYS 208 Cb 0.03 0.15 -0.11 0.00 -0.41 0.00 0.00 32.23 31.89 3krf h LYS 208 CO 0.00 -0.45 0.06 0.35 -2.27 0.00 0.00 179.45 177.14 3krf h PHE 209 N -0.70 0.06 -0.25 1.91 3.57 -1.10 -0.96 116.94 119.48 3krf h PHE 209 Ca -0.03 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.46 3krf h PHE 209 Cb 0.61 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 3krf h PHE 209 CO -0.16 -0.14 -0.10 0.00 -2.23 0.00 0.00 178.31 175.69 3krf h ALA 210 N 1.58 1.38 -0.16 2.41 0.00 0.16 -1.30 119.26 123.33 3krf h ALA 210 Ca 0.35 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3krf h ALA 210 Cb 0.58 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3krf h ALA 210 CO -0.52 0.42 -0.31 -0.97 0.00 0.00 0.00 179.25 177.88 3krf h ASN 211 N 0.37 0.31 0.68 0.00 -0.00 0.91 0.00 115.58 117.85 3krf h ASN 211 Ca 0.08 -0.11 -0.03 0.00 -0.00 0.00 0.00 56.30 56.24 3krf h ASN 211 Cb 0.40 -0.08 0.01 0.00 -0.00 0.00 0.00 38.32 38.65 3krf h ASN 211 CO 0.02 0.61 -0.33 0.00 -0.00 0.00 0.00 177.43 177.73 3krf h ILE 213 N -1.19 0.59 -0.18 0.00 3.07 -1.36 -1.29 117.51 117.14 3krf h ILE 213 Ca -0.09 -0.49 -0.01 0.00 1.55 0.00 0.00 64.86 65.82 3krf h ILE 213 Cb 0.72 1.31 -0.01 0.00 -0.27 0.00 0.00 36.82 38.58 3krf h ILE 213 CO 0.15 0.11 0.07 1.23 -1.05 0.00 0.00 178.15 178.66 3krf h GLY 214 N 0.76 0.28 1.05 0.16 0.00 -0.81 0.12 103.07 104.64 3krf h GLY 214 Ca -0.00 -0.15 -0.11 0.00 0.00 0.00 0.00 47.33 47.07 3krf h GLY 214 CO 0.01 0.14 -0.12 -2.00 0.00 0.00 0.00 176.54 174.58 3krf h LEU 215 N 0.14 0.93 -1.16 3.11 5.85 -0.58 -2.94 115.31 120.66 3krf h LEU 215 Ca 0.06 -0.36 0.08 0.00 0.84 0.00 0.00 57.88 58.49 3krf h LEU 215 Cb 0.17 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 40.88 3krf h LEU 215 CO -0.01 1.08 0.59 0.25 -0.34 0.00 0.00 178.44 180.01 3krf h LEU 216 N 0.77 0.87 -0.87 2.25 5.85 -1.01 -1.92 115.31 121.24 3krf h LEU 216 Ca 0.12 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 3krf h LEU 216 Cb 0.67 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 3krf h LEU 216 CO 0.05 0.54 0.49 0.15 -0.34 0.00 0.00 178.44 179.33 3krf h PHE 217 N 0.98 1.19 -0.07 1.25 3.57 -0.59 -1.14 116.94 122.13 3krf h PHE 217 Ca 0.40 -0.02 -0.22 0.00 3.53 0.00 0.00 57.97 61.66 3krf h PHE 217 Cb 0.28 -0.38 0.01 0.00 2.79 0.00 0.00 35.95 38.64 3krf h PHE 217 CO -0.00 0.82 -0.84 0.37 -2.23 0.00 0.00 178.31 176.43 3krf h GLN 218 N 1.22 0.58 -0.04 1.11 5.75 -1.34 0.14 115.11 122.52 3krf h GLN 218 Ca 0.31 -0.53 0.00 0.00 -0.15 0.00 0.00 58.65 58.28 3krf h GLN 218 Cb 0.02 0.13 -0.00 0.00 1.07 0.00 0.00 27.48 28.69 3krf h GLN 218 CO -0.05 1.15 0.03 0.28 -2.65 0.00 0.00 178.83 177.59 3krf h VAL 219 N 0.37 1.01 -0.73 2.39 2.07 -1.24 0.21 116.25 120.33 3krf h VAL 219 Ca -0.06 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 3krf h VAL 219 Cb 1.46 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 3krf h VAL 219 CO 0.16 0.01 0.30 0.58 0.02 0.00 0.00 177.57 178.64 3krf h VAL 220 N 0.05 1.25 -0.00 2.57 2.07 -1.21 -1.77 116.25 119.20 3krf h VAL 220 Ca 0.02 -0.76 0.01 0.00 0.82 0.00 0.00 66.70 66.78 3krf h VAL 220 Cb -0.00 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 3krf h VAL 220 CO -0.00 0.31 -0.05 -0.78 0.02 0.00 0.00 177.57 177.07 3krf h ASP 221 N 1.06 -0.14 -0.17 0.57 3.58 0.54 -2.42 116.42 119.43 3krf h ASP 221 Ca 0.25 0.02 0.05 0.00 0.42 0.00 0.00 57.03 57.77 3krf h ASP 221 Cb 0.19 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 3krf h ASP 221 CO -0.02 -0.07 0.13 0.44 -2.88 0.00 0.00 179.24 176.84 3krf h ASP 222 N -0.08 0.00 0.70 2.28 3.32 0.02 -0.28 116.42 122.39 3krf h ASP 222 Ca 0.02 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.85 3krf h ASP 222 Cb 0.11 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 3krf h ASP 222 CO -0.05 0.00 -1.02 0.40 -1.72 0.00 0.00 179.24 176.85 3krf h ILE 223 N 0.00 1.55 -0.05 0.35 2.04 -1.03 -3.12 117.51 117.25 3krf h ILE 223 Ca 0.08 -2.95 -0.24 0.00 1.00 0.00 0.00 64.86 62.75 3krf h ILE 223 Cb 0.34 2.70 0.01 0.00 -0.74 0.00 0.00 36.82 39.13 3krf h ILE 223 CO -0.00 0.86 -0.91 -0.07 0.00 0.00 0.00 178.15 178.02 3krf h LEU 224 N 0.07 0.78 -2.02 1.44 3.38 -0.94 -0.57 115.31 117.45 3krf h LEU 224 Ca -0.06 -0.58 0.14 0.00 0.09 0.00 0.00 57.88 57.47 3krf h LEU 224 Cb 1.71 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.20 3krf h LEU 224 CO 0.15 1.37 0.41 -0.78 0.09 0.00 0.00 178.44 179.69 3krf h ASP 225 N 0.38 0.00 0.00 -0.43 3.58 -1.06 -0.43 116.42 118.46 3krf h ASP 225 Ca -0.09 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.36 3krf h ASP 225 Cb 1.55 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.60 3krf h ASP 225 CO 0.17 0.00 -1.45 0.55 -2.88 0.00 0.00 179.24 175.64 3krf n VAL 226 N -4.09 0.00 0.14 2.25 3.14 -1.12 -3.25 118.33 115.40 3krf n VAL 226 Ca 0.09 -0.30 0.02 0.00 -2.96 0.00 0.00 64.34 61.19 3krf n VAL 226 Cb 0.62 0.40 0.01 0.00 -1.06 0.00 0.00 33.84 33.82 3krf n VAL 226 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 3krf n THR 227 N -1.86 0.02 -4.37 1.55 -2.24 -0.24 -5.03 114.28 102.11 3krf n THR 227 Ca -0.01 -0.51 -0.21 0.00 -2.27 0.00 0.00 64.05 61.05 3krf n THR 227 Cb 0.38 1.06 -0.10 0.00 -2.10 0.00 0.00 70.33 69.57 3krf n THR 227 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3krf s LYS 228 N -0.29 1.40 0.46 -0.78 -0.14 -0.23 -5.02 119.74 115.13 3krf s LYS 228 Ca 0.04 -1.58 -0.01 0.00 -1.36 0.00 0.00 55.97 53.06 3krf s LYS 228 Cb 0.03 -1.35 -0.01 0.00 -1.68 0.00 0.00 37.83 34.83 3krf s LYS 228 CO 0.04 0.25 0.70 -1.54 -0.76 0.00 0.00 175.35 174.03 3krf s SER 229 N -3.17 5.88 0.28 2.83 1.04 -1.26 -4.82 113.70 114.48 3krf s SER 229 Ca 0.22 0.40 0.00 0.00 0.48 0.00 0.00 55.95 57.06 3krf s SER 229 Cb -0.03 -1.66 0.52 0.00 0.10 0.00 0.00 66.02 64.94 3krf s SER 229 CO 0.09 -0.69 1.85 0.28 0.98 0.00 0.00 173.24 175.74 3krf h SER 230 N 0.35 0.96 -0.72 7.02 0.02 -1.83 0.18 113.55 119.53 3krf h SER 230 Ca -0.46 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 60.48 3krf h SER 230 Cb 1.25 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.60 3krf h SER 230 CO 0.58 0.54 0.30 0.11 -1.14 0.00 0.00 176.83 177.22 3krf h LYS 231 N 1.05 1.08 0.71 3.45 1.57 -1.95 0.14 116.57 122.62 3krf h LYS 231 Ca 0.48 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 59.04 3krf h LYS 231 Cb 0.41 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 32.55 3krf h LYS 231 CO -0.24 0.88 -0.34 0.93 -0.57 0.00 0.00 179.45 180.11 3krf h GLU 232 N 1.04 -0.92 -0.30 3.15 5.08 -1.52 -3.22 114.58 117.88 3krf h GLU 232 Ca 0.24 0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.58 3krf h GLU 232 Cb 0.20 0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 3krf h GLU 232 CO -0.02 -0.59 -0.19 -0.07 -1.00 0.00 0.00 179.01 177.15 3krf h LEU 233 N -1.07 0.55 0.00 1.33 3.38 -0.60 -3.47 115.31 115.44 3krf h LEU 233 Ca -0.10 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3krf h LEU 233 Cb 0.75 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3krf h LEU 233 CO 0.16 0.75 0.00 0.61 0.09 0.00 0.00 178.44 180.05 3krf n GLY 234 N -0.46 0.15 3.21 0.83 0.00 0.49 -4.82 105.19 104.60 3krf n GLY 234 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3krf n GLY 234 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3krf s LYS 235 N -0.97 1.05 -0.20 1.61 -2.85 -1.19 -0.07 119.74 117.13 3krf s LYS 235 Ca 0.00 -1.51 -0.29 0.00 -1.00 0.00 0.00 55.97 53.18 3krf s LYS 235 Cb 0.00 -0.11 -0.06 0.00 -2.06 0.00 0.00 37.83 35.60 3krf s LYS 235 CO 0.00 -0.17 2.19 2.41 0.10 0.00 0.00 175.35 179.88 3krf n THR 236 N -0.20 0.39 -4.63 3.79 -1.04 -1.05 -4.22 114.28 107.33 3krf n THR 236 Ca -0.06 -0.41 -0.33 0.00 -2.04 0.00 0.00 64.05 61.21 3krf n THR 236 Cb 0.63 -2.46 -0.13 0.00 -1.82 0.00 0.00 70.33 66.55 3krf n THR 236 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3krf s ALA 237 N 7.74 2.80 0.00 2.41 0.00 -1.26 -4.70 121.76 128.76 3krf s ALA 237 Ca 1.00 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 52.09 3krf s ALA 237 Cb -0.39 -1.33 0.00 0.00 0.00 0.00 0.00 23.12 21.40 3krf s ALA 237 CO 0.37 0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.83 3krf n GLY 238 N 3.33 0.99 0.12 0.00 0.00 -1.20 -4.66 105.19 103.77 3krf n GLY 238 Ca -0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 3krf n GLY 238 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3krf h LYS 239 N 0.00 0.17 0.00 1.61 1.57 -1.89 -2.84 116.57 115.19 3krf h LYS 239 Ca 0.00 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 3krf h LYS 239 Cb 0.00 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 3krf h LYS 239 CO 0.00 0.97 -0.05 -0.44 -0.57 0.00 0.00 179.45 179.36 3krf h ASP 240 N 0.09 0.00 0.13 0.86 5.19 -1.93 -2.70 116.42 118.06 3krf h ASP 240 Ca -0.05 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.36 3krf h ASP 240 Cb 1.56 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.07 3krf h ASP 240 CO 0.14 0.05 -0.06 -0.07 -3.12 0.00 0.00 179.24 176.17 3krf h LEU 241 N 0.00 -0.15 0.00 1.55 3.38 -1.86 -3.38 115.31 114.85 3krf h LEU 241 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3krf h LEU 241 Cb 0.21 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3krf h LEU 241 CO 0.01 -0.10 0.00 0.52 0.09 0.00 0.00 178.44 178.95 3krf n VAL 242 N -2.47 0.00 -0.96 1.22 0.31 -1.12 -4.82 118.33 110.48 3krf n VAL 242 Ca -0.02 1.41 -0.37 0.00 -0.01 0.00 0.00 64.34 65.35 3krf n VAL 242 Cb 0.07 -2.21 0.05 0.00 -0.91 0.00 0.00 33.84 30.84 3krf n VAL 242 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3krf n ALA 243 N -2.12 -5.49 1.53 3.52 0.00 -1.03 -4.82 120.51 112.10 3krf n ALA 243 Ca 0.00 -1.19 0.05 0.00 0.00 0.00 0.00 53.44 52.30 3krf n ALA 243 Cb 0.00 -0.98 0.19 0.00 0.00 0.00 0.00 19.45 18.66 3krf n ALA 243 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3krf n ASP 244 N 2.83 0.84 -4.09 0.00 2.03 -1.21 -4.95 116.55 112.01 3krf n ASP 244 Ca -0.01 -1.86 -0.37 0.00 0.52 0.00 0.00 54.79 53.06 3krf n ASP 244 Cb 0.69 -0.09 0.02 0.00 -0.72 0.00 0.00 41.12 41.01 3krf n ASP 244 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3krf n LYS 245 N -0.10 0.00 -3.24 -0.67 5.02 -1.25 -4.67 118.16 113.25 3krf n LYS 245 Ca 0.08 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.93 3krf n LYS 245 Cb 0.15 -0.97 0.00 0.00 -0.02 0.00 0.00 35.03 34.19 3krf n LYS 245 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3krf n THR 246 N -1.65 4.80 -3.18 -0.18 -1.04 -1.26 -4.98 114.28 106.79 3krf n THR 246 Ca 0.06 -5.54 -0.18 0.00 -2.04 0.00 0.00 64.05 56.34 3krf n THR 246 Cb 0.47 -2.44 0.01 0.00 -1.82 0.00 0.00 70.33 66.55 3krf n THR 246 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3krf s THR 247 N -1.72 3.46 0.02 12.58 -4.23 -1.26 -4.93 115.64 119.56 3krf s THR 247 Ca 0.31 -0.97 -0.19 0.00 -1.18 0.00 0.00 61.69 59.66 3krf s THR 247 Cb -0.06 -3.18 -0.19 0.00 1.34 0.00 0.00 72.50 70.41 3krf s THR 247 CO -0.03 -0.07 1.20 1.88 -0.54 0.00 0.00 174.62 177.06 3krf h TYR 248 N 0.72 0.59 0.00 3.99 0.05 -1.92 -2.99 116.97 117.40 3krf h TYR 248 Ca -0.43 -0.26 0.00 0.00 0.05 0.00 0.00 58.73 58.09 3krf h TYR 248 Cb 1.27 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.92 3krf h TYR 248 CO 0.41 1.03 0.14 -2.30 -1.05 0.00 0.00 178.16 176.38 3krf n PRO 249 N -4.31 0.00 0.00 4.88 -0.02 -1.26 -2.10 135.00 132.18 3krf n PRO 249 Ca -0.08 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 3krf n PRO 249 Cb 0.56 -1.64 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 3krf n PRO 249 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3krf n LYS 250 N -1.09 0.00 0.00 -0.52 4.81 -1.13 -2.91 118.16 117.32 3krf n LYS 250 Ca 0.00 0.11 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 3krf n LYS 250 Cb 0.14 -0.49 0.00 0.00 0.02 0.00 0.00 35.03 34.69 3krf n LYS 250 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3krf n LEU 251 N -1.28 0.00 0.00 3.14 4.77 -0.94 -3.52 117.00 119.18 3krf n LEU 251 Ca 0.00 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 3krf n LEU 251 Cb 0.00 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.68 3krf n LEU 251 CO 0.00 -0.41 0.00 2.30 -1.33 0.00 0.00 177.39 177.95 3krf n ILE 252 N -1.41 0.00 -0.79 -0.08 -5.35 -0.89 -5.12 119.36 105.72 3krf n ILE 252 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 3krf n ILE 252 Cb 0.06 0.70 0.00 0.00 -1.74 0.00 0.00 39.64 38.65 3krf n ILE 252 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3krf n GLY 253 N 0.00 -3.69 0.23 3.28 0.00 -1.15 -3.38 105.19 100.48 3krf n GLY 253 Ca 0.00 -0.98 0.22 0.00 0.00 0.00 0.00 46.02 45.26 3krf n GLY 253 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3krf n VAL 254 N -1.30 -0.30 0.30 1.61 0.31 -1.26 -1.78 118.33 115.92 3krf n VAL 254 Ca 0.00 1.44 -0.12 0.00 -0.01 0.00 0.00 64.34 65.65 3krf n VAL 254 Cb 0.07 -2.33 -0.06 0.00 -0.91 0.00 0.00 33.84 30.62 3krf n VAL 254 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3krf h GLU 255 N 0.00 -0.76 0.00 5.55 4.39 -1.96 0.25 114.58 122.05 3krf h GLU 255 Ca 0.59 0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.34 3krf h GLU 255 Cb 1.54 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 30.37 3krf h GLU 255 CO -0.55 -0.51 0.00 1.63 -1.16 0.00 0.00 179.01 178.42 3krf n LYS 256 N -4.96 0.11 0.05 2.33 4.76 -0.73 -1.05 118.16 118.67 3krf n LYS 256 Ca -0.10 0.61 -0.20 0.00 -2.87 0.00 0.00 58.31 55.74 3krf n LYS 256 Cb 0.31 -1.86 -0.14 0.00 -1.84 0.00 0.00 35.03 31.50 3krf n LYS 256 CO 0.00 0.00 0.00 0.77 -1.37 0.00 0.00 177.40 176.80 3krf h SER 257 N 0.00 0.51 0.19 4.39 0.02 -1.06 -3.12 113.55 114.48 3krf h SER 257 Ca 0.00 -0.94 -0.01 0.00 -0.84 0.00 0.00 61.79 60.00 3krf h SER 257 Cb 0.01 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.38 3krf h SER 257 CO 0.00 1.41 -0.09 0.11 -1.14 0.00 0.00 176.83 177.12 3krf h LYS 258 N -0.30 -0.24 -0.97 3.45 1.57 0.74 -2.03 116.57 118.79 3krf h LYS 258 Ca -0.15 0.02 0.22 0.00 -1.87 0.00 0.00 60.65 58.87 3krf h LYS 258 Cb 1.66 0.06 -0.12 0.00 0.08 0.00 0.00 32.23 33.91 3krf h LYS 258 CO 0.16 -0.00 0.54 1.49 -0.57 0.00 0.00 179.45 181.07 3krf h GLU 259 N -0.46 0.56 -0.52 3.15 4.22 -1.59 0.98 114.58 120.92 3krf h GLU 259 Ca -0.03 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.37 3krf h GLU 259 Cb 0.36 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3krf h GLU 259 CO 0.04 0.37 0.28 0.35 -2.18 0.00 0.00 179.01 177.88 3krf h PHE 260 N 0.58 0.72 -0.85 0.92 3.57 -1.41 -1.97 116.94 118.50 3krf h PHE 260 Ca 0.60 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 62.06 3krf h PHE 260 Cb 1.09 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.56 3krf h PHE 260 CO -0.04 0.53 0.46 0.00 -2.23 0.00 0.00 178.31 177.03 3krf h ALA 261 N 1.12 1.09 -0.69 2.41 0.00 -0.14 -2.01 119.26 121.05 3krf h ALA 261 Ca 0.18 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.06 3krf h ALA 261 Cb 0.05 -0.34 -0.07 0.00 0.00 0.00 0.00 17.79 17.44 3krf h ALA 261 CO -0.03 0.60 0.33 -0.44 0.00 0.00 0.00 179.25 179.71 3krf h ASP 262 N 1.18 0.43 -0.53 0.00 3.32 -0.50 -1.18 116.42 119.14 3krf h ASP 262 Ca 0.30 0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.30 3krf h ASP 262 Cb 0.04 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 3krf h ASP 262 CO -0.05 0.25 -0.08 -0.09 -1.72 0.00 0.00 179.24 177.55 3krf h ARG 263 N 0.57 0.98 -0.15 3.56 2.43 -0.90 -2.82 114.38 118.05 3krf h ARG 263 Ca 0.34 -0.35 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3krf h ARG 263 Cb 0.36 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 3krf h ARG 263 CO -0.27 1.03 0.04 -0.07 -1.51 0.00 0.00 179.97 179.19 3krf h LEU 264 N 0.85 0.02 0.43 3.80 3.38 -0.76 0.11 115.31 123.14 3krf h LEU 264 Ca 0.14 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3krf h LEU 264 Cb 0.64 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 3krf h LEU 264 CO 0.04 0.04 -0.49 -1.13 0.09 0.00 0.00 178.44 176.99 3krf h ASN 265 N 0.10 -1.36 -0.50 -0.43 -1.24 -1.22 0.14 115.58 111.07 3krf h ASN 265 Ca 0.07 0.11 0.10 0.00 0.71 0.00 0.00 56.30 57.29 3krf h ASN 265 Cb 0.05 0.46 -0.10 0.00 0.73 0.00 0.00 38.32 39.45 3krf h ASN 265 CO -0.08 -0.62 -0.28 0.03 -1.29 0.00 0.00 177.43 175.19 3krf h ARG 266 N -0.93 -0.16 -0.85 6.67 3.08 -1.39 0.16 114.38 120.96 3krf h ARG 266 Ca -0.05 0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.15 3krf h ARG 266 Cb 0.82 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.84 3krf h ARG 266 CO -0.09 -0.10 0.55 1.49 -1.07 0.00 0.00 179.97 180.75 3krf h GLU 267 N -0.16 0.61 -0.08 0.04 4.57 -0.19 -0.55 114.58 118.82 3krf h GLU 267 Ca 0.22 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.31 3krf h GLU 267 Cb 0.52 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 3krf h GLU 267 CO -0.60 0.40 -0.17 0.00 -1.18 0.00 0.00 179.01 177.47 3krf h ALA 268 N 1.61 0.12 0.00 2.92 0.00 0.20 -3.05 119.26 121.06 3krf h ALA 268 Ca 0.42 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3krf h ALA 268 Cb 0.74 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3krf h ALA 268 CO -0.18 0.04 -0.05 1.96 0.00 0.00 0.00 179.25 181.02 3krf h GLN 269 N -0.23 0.00 -0.01 0.00 4.20 -0.15 -0.38 115.11 118.54 3krf h GLN 269 Ca 0.00 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 3krf h GLN 269 Cb 0.76 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.52 3krf h GLN 269 CO 0.04 0.05 -0.59 1.49 -0.67 0.00 0.00 178.83 179.14 3krf h GLU 270 N 0.00 0.04 0.00 1.46 4.81 -1.04 -1.90 114.58 117.95 3krf h GLU 270 Ca -0.00 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.10 3krf h GLU 270 Cb 0.22 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 3krf h GLU 270 CO 0.01 0.62 -0.49 1.96 -0.73 0.00 0.00 179.01 180.38 3krf h GLN 271 N 0.03 0.00 0.00 1.92 1.08 -0.97 -3.01 115.11 114.16 3krf h GLN 271 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 3krf h GLN 271 Cb 1.06 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.49 3krf h GLN 271 CO 0.08 0.49 0.00 1.28 -0.95 0.00 0.00 178.83 179.73 3krf n LEU 272 N -3.70 0.53 0.00 1.46 4.77 -0.72 -2.75 117.00 116.59 3krf n LEU 272 Ca -0.01 0.63 0.02 0.00 -0.03 0.00 0.00 56.01 56.63 3krf n LEU 272 Cb 0.55 -0.56 0.11 0.00 -2.33 0.00 0.00 43.42 41.19 3krf n LEU 272 CO 0.39 -0.50 0.54 0.18 -1.33 0.00 0.00 177.39 176.67 3krf n LEU 273 N -2.08 0.00 0.20 2.23 4.77 -1.14 -0.62 117.00 120.36 3krf n LEU 273 Ca 0.02 0.41 0.06 0.00 -0.03 0.00 0.00 56.01 56.47 3krf n LEU 273 Cb 0.22 -0.41 0.39 0.00 -2.33 0.00 0.00 43.42 41.29 3krf n LEU 273 CO 0.18 -0.34 0.73 -0.74 -1.33 0.00 0.00 177.39 175.89 3krf h HIS 274 N 0.00 0.00 -2.07 -1.77 2.76 -1.76 -3.45 115.15 108.86 3krf h HIS 274 Ca 0.00 0.00 -0.48 0.00 -2.20 0.00 0.00 60.37 57.69 3krf h HIS 274 Cb 0.06 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 28.99 3krf h HIS 274 CO 0.00 0.34 -0.46 -0.06 -1.30 0.00 0.00 177.93 176.45 3krf s PHE 275 N -3.80 3.15 0.14 5.26 0.40 0.21 -5.06 117.98 118.28 3krf s PHE 275 Ca -0.01 -0.14 -0.31 0.00 -0.60 0.00 0.00 56.93 55.86 3krf s PHE 275 Cb 0.12 -1.60 -0.10 0.00 0.51 0.00 0.00 43.02 41.95 3krf s PHE 275 CO 0.68 0.36 1.68 -1.58 0.70 0.00 0.00 175.22 177.06 3krf s HIS 276 N -2.14 2.65 0.55 0.36 5.65 -1.26 -4.87 115.29 116.23 3krf s HIS 276 Ca 0.36 0.34 0.31 0.00 0.25 0.00 0.00 55.06 56.32 3krf s HIS 276 Cb -0.08 -4.04 1.47 0.00 -1.18 0.00 0.00 32.58 28.76 3krf s HIS 276 CO 0.27 -4.05 1.88 -1.00 -0.65 0.00 0.00 174.74 171.19 3krf h PRO 277 N 7.63 0.00 -0.33 2.88 0.13 -1.93 0.06 132.00 140.44 3krf h PRO 277 Ca -0.43 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.54 3krf h PRO 277 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 3krf h PRO 277 CO 0.93 0.00 -0.42 1.25 -0.23 0.00 0.00 178.00 179.53 3krf h HIS 278 N 0.00 1.02 0.00 1.56 2.76 -2.01 -2.80 115.15 115.68 3krf h HIS 278 Ca 0.38 -0.32 -0.15 0.00 -2.20 0.00 0.00 60.37 58.09 3krf h HIS 278 Cb 1.64 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 30.37 3krf h HIS 278 CO 0.00 1.12 -0.72 0.00 -1.30 0.00 0.00 177.93 177.03 3krf h ARG 279 N 0.68 0.00 -0.00 5.26 3.08 -1.37 -3.21 114.38 118.82 3krf h ARG 279 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3krf h ARG 279 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.05 3krf h ARG 279 CO 0.10 0.72 -0.12 0.00 -1.07 0.00 0.00 179.97 179.59 3krf n ALA 280 N -2.32 2.68 -0.30 0.04 0.00 -0.91 -4.29 120.51 115.41 3krf n ALA 280 Ca 0.00 -0.19 0.09 0.00 0.00 0.00 0.00 53.44 53.35 3krf n ALA 280 Cb 0.77 -1.37 0.26 0.00 0.00 0.00 0.00 19.45 19.10 3krf n ALA 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3krf h ALA 281 N 3.18 1.33 0.12 0.00 0.00 -1.49 0.19 119.26 122.58 3krf h ALA 281 Ca 0.00 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3krf h ALA 281 Cb 0.44 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3krf h ALA 281 CO 0.00 -0.20 -0.06 -1.35 0.00 0.00 0.00 179.25 177.64 3krf h PRO 282 N 0.52 -0.15 -0.04 0.00 0.11 -1.84 0.79 132.00 131.38 3krf h PRO 282 Ca 0.50 0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.59 3krf h PRO 282 Cb 0.82 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 3krf h PRO 282 CO -0.43 0.04 -0.12 -0.07 -0.21 0.00 0.00 178.00 177.21 3krf h LEU 283 N -0.32 0.06 -0.34 2.35 3.38 -1.66 0.29 115.31 119.07 3krf h LEU 283 Ca -0.02 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3krf h LEU 283 Cb 0.26 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3krf h LEU 283 CO 0.03 0.19 0.06 0.40 0.09 0.00 0.00 178.44 179.20 3krf h ILE 284 N 0.06 1.23 0.01 1.22 2.04 -0.25 -1.76 117.51 120.07 3krf h ILE 284 Ca 0.01 -0.81 -0.00 0.00 1.00 0.00 0.00 64.86 65.06 3krf h ILE 284 Cb 0.25 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 3krf h ILE 284 CO 0.02 0.27 -0.01 0.00 0.00 0.00 0.00 178.15 178.43 3krf h ALA 285 N 0.90 -0.01 -0.71 1.87 0.00 0.26 -1.81 119.26 119.76 3krf h ALA 285 Ca 0.10 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.07 3krf h ALA 285 Cb 0.34 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 3krf h ALA 285 CO 0.01 -0.46 0.47 -0.07 0.00 0.00 0.00 179.25 179.20 3krf h LEU 286 N -0.11 0.51 0.07 0.00 3.38 -0.43 -0.73 115.31 117.99 3krf h LEU 286 Ca -0.00 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3krf h LEU 286 Cb 0.11 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3krf h LEU 286 CO 0.00 0.30 -0.03 0.00 0.09 0.00 0.00 178.44 178.80 3krf h ALA 287 N 1.64 -0.09 -0.82 1.53 0.00 -0.88 -0.38 119.26 120.26 3krf h ALA 287 Ca 0.33 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3krf h ALA 287 Cb 0.53 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 3krf h ALA 287 CO -0.11 -0.38 0.48 -0.91 0.00 0.00 0.00 179.25 178.32 3krf h ASN 288 N -0.43 1.00 -0.68 0.00 2.35 -0.78 -1.64 115.58 115.40 3krf h ASN 288 Ca -0.01 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 3krf h ASN 288 Cb 0.37 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 3krf h ASN 288 CO 0.02 0.78 0.44 0.22 -1.65 0.00 0.00 177.43 177.24 3krf h TYR 289 N 1.14 0.86 -0.95 1.19 -0.00 -1.04 1.12 116.97 119.30 3krf h TYR 289 Ca 0.29 0.02 0.03 0.00 -0.00 0.00 0.00 58.73 59.07 3krf h TYR 289 Cb -0.02 -0.29 -0.05 0.00 -0.00 0.00 0.00 36.73 36.37 3krf h TYR 289 CO 0.01 0.55 0.62 0.82 -0.00 0.00 0.00 178.16 180.16 3krf h ILE 290 N 0.92 1.17 -0.16 1.81 2.04 -0.19 0.30 117.51 123.41 3krf h ILE 290 Ca 0.25 -0.41 -0.09 0.00 1.00 0.00 0.00 64.86 65.61 3krf h ILE 290 Cb -0.09 -0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 35.85 3krf h ILE 290 CO -0.05 0.22 -0.23 0.00 0.00 0.00 0.00 178.15 178.08 3krf h ALA 291 N 1.38 0.25 -0.03 1.87 0.00 -0.41 -3.38 119.26 118.94 3krf h ALA 291 Ca 0.37 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3krf h ALA 291 Cb -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3krf h ALA 291 CO -0.12 0.21 -0.07 0.66 0.00 0.00 0.00 179.25 179.94 3krf n TYR 292 N -4.44 0.00 -1.29 0.00 0.53 0.38 -4.99 117.16 107.35 3krf n TYR 292 Ca -0.06 0.00 -0.35 0.00 -1.02 0.00 0.00 57.90 56.47 3krf n TYR 292 Cb 0.43 -0.00 0.10 0.00 -1.03 0.00 0.00 39.34 38.84 3krf n TYR 292 CO 0.00 0.00 0.00 2.89 -1.02 0.00 0.00 176.86 178.73 3krf n ARG 293 N 1.07 0.44 0.03 -0.72 1.85 0.10 -4.92 116.66 114.51 3krf n ARG 293 Ca 0.14 0.21 0.11 0.00 -1.00 0.00 0.00 57.85 57.31 3krf n ARG 293 Cb 0.56 -2.36 -0.00 0.00 -1.05 0.00 0.00 32.46 29.61 3krf n ARG 293 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3krf n ASP 294 N -2.42 0.59 0.00 2.89 9.92 -1.26 -5.06 116.55 121.21 3krf n ASP 294 Ca 0.14 -0.16 0.00 0.00 -0.53 0.00 0.00 54.79 54.24 3krf n ASP 294 Cb 0.50 0.88 0.00 0.00 -0.64 0.00 0.00 41.12 41.86 3krf n ASP 294 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87