#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t1n s LEU 2 N 0.00 4.38 0.51 1.04 1.43 -1.26 -5.08 118.68 119.70 1t1n s LEU 2 Ca 0.00 1.59 -0.00 0.00 -1.03 0.00 0.00 54.13 54.69 1t1n s LEU 2 Cb 0.00 -3.68 0.01 0.00 0.03 0.00 0.00 46.19 42.55 1t1n s LEU 2 CO 0.00 0.03 0.74 -0.94 0.23 0.00 0.00 176.35 176.41 1t1n s SER 3 N -1.56 5.58 0.55 2.29 1.04 -1.26 -4.91 113.70 115.42 1t1n s SER 3 Ca 0.44 0.24 0.29 0.00 0.48 0.00 0.00 55.95 57.40 1t1n s SER 3 Cb -0.18 -1.31 1.62 0.00 0.10 0.00 0.00 66.02 66.25 1t1n s SER 3 CO 0.23 -0.93 2.14 0.44 0.98 0.00 0.00 173.24 176.10 1t1n h ASP 4 N 0.19 0.00 -0.19 7.02 3.32 -1.99 -0.61 116.42 124.16 1t1n h ASP 4 Ca -0.45 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.49 1t1n h ASP 4 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1t1n h ASP 4 CO 0.56 0.08 -0.33 0.50 -1.72 0.00 0.00 179.24 178.32 1t1n h LYS 5 N 0.00 0.55 -0.62 3.56 3.64 -1.99 -1.90 116.57 119.81 1t1n h LYS 5 Ca -0.00 -0.35 -0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1t1n h LYS 5 Cb 0.23 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 1t1n h LYS 5 CO 0.01 0.96 0.38 -0.44 -2.27 0.00 0.00 179.45 178.08 1t1n h ASP 6 N 0.21 0.75 -0.36 4.20 3.32 -1.64 -1.86 116.42 121.05 1t1n h ASP 6 Ca 0.01 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1t1n h ASP 6 Cb 0.92 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 1t1n h ASP 6 CO 0.08 0.59 0.17 0.11 -1.72 0.00 0.00 179.24 178.46 1t1n h LYS 7 N 0.84 0.52 -0.60 3.56 1.57 -1.13 -0.91 116.57 120.42 1t1n h LYS 7 Ca 0.22 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.83 1t1n h LYS 7 Cb -0.02 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1t1n h LYS 7 CO -0.04 0.47 0.01 0.00 -0.57 0.00 0.00 179.45 179.32 1t1n h ALA 8 N 1.02 0.88 -0.50 3.86 0.00 -1.25 -0.32 119.26 122.96 1t1n h ALA 8 Ca 0.12 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 1t1n h ALA 8 Cb 0.12 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1t1n h ALA 8 CO -0.02 0.66 -0.14 0.00 0.00 0.00 0.00 179.25 179.76 1t1n h ALA 9 N 1.04 0.69 -0.48 0.00 0.00 -1.15 -0.13 119.26 119.22 1t1n h ALA 9 Ca 0.17 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1t1n h ALA 9 Cb 0.54 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1t1n h ALA 9 CO 0.03 0.62 0.21 0.28 0.00 0.00 0.00 179.25 180.38 1t1n h VAL 10 N 0.83 1.20 -0.65 0.00 2.07 -0.98 -0.36 116.25 118.36 1t1n h VAL 10 Ca 0.12 -0.61 -0.08 0.00 0.82 0.00 0.00 66.70 66.96 1t1n h VAL 10 Cb 0.70 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1t1n h VAL 10 CO 0.05 0.23 0.09 0.03 0.02 0.00 0.00 177.57 177.99 1t1n h ARG 11 N 0.64 1.07 -0.42 1.57 3.08 -0.79 0.97 114.38 120.50 1t1n h ARG 11 Ca 0.16 -0.29 -0.10 0.00 0.07 0.00 0.00 59.98 59.82 1t1n h ARG 11 Cb 0.17 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1t1n h ARG 11 CO -0.02 0.99 -0.16 0.00 -1.07 0.00 0.00 179.97 179.72 1t1n h ALA 12 N 1.09 0.94 0.12 0.04 0.00 -0.90 -0.02 119.26 120.52 1t1n h ALA 12 Ca 0.20 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1t1n h ALA 12 Cb 0.45 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1t1n h ALA 12 CO 0.01 0.62 -0.06 1.25 0.00 0.00 0.00 179.25 181.07 1t1n h LEU 13 N 0.70 -0.14 -1.64 0.00 5.85 -0.62 -1.81 115.31 117.65 1t1n h LEU 13 Ca 0.11 -0.32 0.09 0.00 0.84 0.00 0.00 57.88 58.60 1t1n h LEU 13 Cb 0.65 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 1t1n h LEU 13 CO 0.05 0.27 0.39 -0.25 -0.34 0.00 0.00 178.44 178.56 1t1n h TRP 14 N -0.56 0.43 -0.94 1.25 2.91 -0.75 0.71 115.95 119.00 1t1n h TRP 14 Ca -0.02 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.02 1t1n h TRP 14 Cb 0.45 -0.14 -0.05 0.00 -0.51 0.00 0.00 29.16 28.91 1t1n h TRP 14 CO 0.05 0.21 0.59 1.03 -1.03 0.00 0.00 178.44 179.30 1t1n h SER 15 N 0.41 1.11 0.77 2.65 0.87 -0.76 0.15 113.55 118.75 1t1n h SER 15 Ca 0.27 -0.05 -0.21 0.00 -1.23 0.00 0.00 61.79 60.57 1t1n h SER 15 Cb 0.52 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 1t1n h SER 15 CO -0.07 0.83 -0.97 0.11 -0.53 0.00 0.00 176.83 176.20 1t1n h LYS 16 N 1.29 0.11 0.00 2.24 1.57 0.13 -3.38 116.57 118.52 1t1n h LYS 16 Ca 0.34 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1t1n h LYS 16 Cb -0.10 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1t1n h LYS 16 CO -0.07 0.99 -1.24 0.44 -0.57 0.00 0.00 179.45 179.00 1t1n n ILE 17 N -3.52 0.00 0.32 1.86 -5.35 -0.55 -4.59 119.36 107.53 1t1n n ILE 17 Ca -0.03 -0.26 0.16 0.00 -0.27 0.00 0.00 62.75 62.36 1t1n n ILE 17 Cb 0.88 0.45 0.88 0.00 -1.74 0.00 0.00 39.64 40.11 1t1n n ILE 17 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1t1n h GLY 18 N 2.25 0.00 0.90 3.28 0.00 -1.15 -1.43 103.07 106.93 1t1n h GLY 18 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.36 1t1n h GLY 18 CO 0.00 0.00 0.60 0.07 0.00 0.00 0.00 176.54 177.21 1t1n h LYS 19 N 0.00 1.14 -0.87 4.80 2.10 -1.83 -3.08 116.57 118.83 1t1n h LYS 19 Ca 0.00 -0.07 -0.21 0.00 -2.00 0.00 0.00 60.65 58.37 1t1n h LYS 19 Cb 0.48 -0.26 -0.13 0.00 -0.90 0.00 0.00 32.23 31.42 1t1n h LYS 19 CO 0.00 0.75 0.27 0.43 -2.00 0.00 0.00 179.45 178.90 1t1n n SER 20 N -4.49 3.88 0.27 7.07 7.64 -0.54 -4.55 113.62 122.90 1t1n n SER 20 Ca 0.12 -2.93 0.17 0.00 1.01 0.00 0.00 58.87 57.23 1t1n n SER 20 Cb 0.07 -0.69 0.62 0.00 -1.01 0.00 0.00 64.21 63.20 1t1n n SER 20 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1t1n h SER 21 N 1.61 0.00 -0.13 6.43 4.64 -1.64 -1.47 113.55 122.99 1t1n h SER 21 Ca 0.26 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.48 1t1n h SER 21 Cb 2.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.09 1t1n h SER 21 CO 0.60 0.00 -0.30 0.44 -0.87 0.00 0.00 176.83 176.70 1t1n h ASP 22 N 0.00 0.50 -0.14 4.97 3.32 -1.87 -1.85 116.42 121.34 1t1n h ASP 22 Ca 0.00 -0.57 -0.09 0.00 0.02 0.00 0.00 57.03 56.39 1t1n h ASP 22 Cb 0.56 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1t1n h ASP 22 CO 0.00 0.98 -0.19 0.00 -1.72 0.00 0.00 179.24 178.31 1t1n h ALA 23 N 0.54 1.11 -0.42 3.45 0.00 -1.88 -2.26 119.26 119.79 1t1n h ALA 23 Ca 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1t1n h ALA 23 Cb 0.90 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1t1n h ALA 23 CO 0.07 0.55 0.18 0.82 0.00 0.00 0.00 179.25 180.87 1t1n h ILE 24 N 0.50 1.19 -0.38 0.00 2.04 -1.23 -1.93 117.51 117.70 1t1n h ILE 24 Ca 0.08 -0.57 -0.14 0.00 1.00 0.00 0.00 64.86 65.24 1t1n h ILE 24 Cb 0.61 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.47 1t1n h ILE 24 CO 0.04 0.21 -0.30 1.23 0.00 0.00 0.00 178.15 179.34 1t1n h GLY 25 N 0.53 0.95 0.92 5.37 0.00 -1.18 -0.34 103.07 109.32 1t1n h GLY 25 Ca 0.14 -0.93 -0.01 0.00 0.00 0.00 0.00 47.33 46.54 1t1n h GLY 25 CO -0.01 0.84 -0.08 -0.57 0.00 0.00 0.00 176.54 176.71 1t1n h ASN 26 N 0.68 -0.20 -0.78 0.19 -1.24 -1.41 -2.14 115.58 110.69 1t1n h ASN 26 Ca 0.07 -0.06 -0.02 0.00 0.71 0.00 0.00 56.30 57.00 1t1n h ASN 26 Cb 0.88 0.05 -0.04 0.00 0.73 0.00 0.00 38.32 39.94 1t1n h ASN 26 CO 0.08 -0.06 0.41 -0.78 -1.29 0.00 0.00 177.43 175.78 1t1n h ASP 27 N -0.32 0.98 0.19 1.15 3.58 -1.35 0.62 116.42 121.29 1t1n h ASP 27 Ca -0.02 -0.11 -0.16 0.00 0.42 0.00 0.00 57.03 57.16 1t1n h ASP 27 Cb 0.25 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 1t1n h ASP 27 CO 0.04 0.81 -0.61 0.00 -2.88 0.00 0.00 179.24 176.60 1t1n h ALA 28 N 1.21 0.73 0.01 -0.78 0.00 -1.02 -2.17 119.26 117.25 1t1n h ALA 28 Ca 0.27 -0.54 -0.25 0.00 0.00 0.00 0.00 54.91 54.39 1t1n h ALA 28 Cb 0.06 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.79 1t1n h ALA 28 CO -0.04 0.72 -1.02 1.25 0.00 0.00 0.00 179.25 180.16 1t1n h LEU 29 N 0.30 0.71 0.04 0.00 5.85 -1.18 -2.04 115.31 119.00 1t1n h LEU 29 Ca -0.01 -0.58 0.02 0.00 0.84 0.00 0.00 57.88 58.15 1t1n h LEU 29 Cb 1.14 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 1t1n h LEU 29 CO 0.11 1.38 -0.14 0.28 -0.34 0.00 0.00 178.44 179.73 1t1n h SER 30 N 0.29 -0.39 -0.67 1.25 0.02 -0.79 -2.64 113.55 110.62 1t1n h SER 30 Ca -0.11 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1t1n h SER 30 Cb 1.67 0.16 -0.03 0.00 0.14 0.00 0.00 62.40 64.33 1t1n h SER 30 CO 0.19 -0.20 0.43 0.03 -1.14 0.00 0.00 176.83 176.14 1t1n h ARG 31 N -0.25 0.90 -0.44 3.45 3.08 -1.41 -1.30 114.38 118.41 1t1n h ARG 31 Ca 0.03 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 1t1n h ARG 31 Cb 0.29 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1t1n h ARG 31 CO -0.10 0.61 0.10 1.98 -1.07 0.00 0.00 179.97 181.49 1t1n h MET 32 N 0.92 0.66 0.14 0.04 4.05 -1.10 -0.09 114.93 119.55 1t1n h MET 32 Ca 0.25 -0.12 -0.28 0.00 -0.28 0.00 0.00 59.70 59.26 1t1n h MET 32 Cb -0.08 -0.11 0.03 0.00 -0.80 0.00 0.00 31.60 30.64 1t1n h MET 32 CO -0.05 0.60 -1.19 0.82 0.23 0.00 0.00 176.91 177.32 1t1n h ILE 33 N 0.64 1.32 0.21 1.77 2.04 -1.04 -1.58 117.51 120.86 1t1n h ILE 33 Ca 0.15 -2.48 -0.01 0.00 1.00 0.00 0.00 64.86 63.52 1t1n h ILE 33 Cb 0.25 2.81 0.00 0.00 -0.74 0.00 0.00 36.82 39.14 1t1n h ILE 33 CO -0.00 0.74 -0.10 0.58 0.00 0.00 0.00 178.15 179.37 1t1n h VAL 34 N 0.15 0.83 0.00 1.67 2.07 -1.28 -3.27 116.25 116.42 1t1n h VAL 34 Ca -0.19 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.43 1t1n h VAL 34 Cb 1.88 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 1t1n h VAL 34 CO 0.23 0.18 0.00 0.58 0.02 0.00 0.00 177.57 178.58 1t1n h VAL 35 N -0.78 0.00 -2.04 2.57 2.07 -1.11 -3.35 116.25 113.61 1t1n h VAL 35 Ca -0.03 -0.76 -0.52 0.00 0.82 0.00 0.00 66.70 66.21 1t1n h VAL 35 Cb 0.51 1.75 -0.40 0.00 -1.52 0.00 0.00 31.29 31.63 1t1n h VAL 35 CO 0.05 0.00 -1.09 -1.22 0.02 0.00 0.00 177.57 175.33 1t1n n TYR 36 N -2.88 0.65 0.17 1.57 4.01 -0.59 -4.97 117.16 115.11 1t1n n TYR 36 Ca 0.04 -3.79 0.13 0.00 -0.16 0.00 0.00 57.90 54.12 1t1n n TYR 36 Cb 0.45 -0.42 0.41 0.00 -0.31 0.00 0.00 39.34 39.48 1t1n n TYR 36 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1t1n h PRO 37 N 3.28 0.00 0.00 -0.72 0.11 -1.70 -0.32 132.00 132.65 1t1n h PRO 37 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1t1n h PRO 37 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1t1n h PRO 37 CO 0.54 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.33 1t1n n GLN 38 N -2.95 0.12 0.00 1.05 10.64 -1.26 -2.40 117.38 122.59 1t1n n GLN 38 Ca 0.06 0.49 0.12 0.00 -1.83 0.00 0.00 57.00 55.84 1t1n n GLN 38 Cb 0.92 -1.80 0.21 0.00 -0.86 0.00 0.00 30.24 28.71 1t1n n GLN 38 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 1t1n n THR 39 N -2.04 0.00 0.21 -0.39 -2.24 -0.13 -4.06 114.28 105.63 1t1n n THR 39 Ca 0.01 -0.02 0.07 0.00 -2.27 0.00 0.00 64.05 61.84 1t1n n THR 39 Cb 0.12 0.39 0.43 0.00 -2.10 0.00 0.00 70.33 69.17 1t1n n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1t1n h LYS 40 N 0.18 0.00 0.00 -0.78 1.57 -1.68 -2.92 116.57 112.95 1t1n h LYS 40 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1t1n h LYS 40 Cb 0.51 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 1t1n h LYS 40 CO 0.00 0.31 -0.03 -0.84 -0.57 0.00 0.00 179.45 178.32 1t1n h ILE 41 N 0.00 0.28 0.00 1.86 3.07 -1.79 -1.93 117.51 119.01 1t1n h ILE 41 Ca -0.00 -0.21 0.00 0.00 1.55 0.00 0.00 64.86 66.20 1t1n h ILE 41 Cb 0.71 1.15 0.00 0.00 -0.27 0.00 0.00 36.82 38.42 1t1n h ILE 41 CO 0.04 0.03 0.00 -1.22 -1.05 0.00 0.00 178.15 175.95 1t1n n TYR 42 N -3.42 0.85 -1.66 0.16 4.01 -1.10 -3.47 117.16 112.52 1t1n n TYR 42 Ca -0.02 0.28 0.06 0.00 -0.16 0.00 0.00 57.90 58.05 1t1n n TYR 42 Cb 0.15 -0.95 0.18 0.00 -0.31 0.00 0.00 39.34 38.41 1t1n n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1t1n n PHE 43 N -2.22 0.00 0.27 -0.72 3.72 -0.74 -4.76 117.46 113.01 1t1n n PHE 43 Ca 0.04 -1.31 0.16 0.00 -0.05 0.00 0.00 57.45 56.29 1t1n n PHE 43 Cb 0.35 -0.23 0.63 0.00 -0.94 0.00 0.00 39.48 39.30 1t1n n PHE 43 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1t1n h SER 44 N 0.89 0.00 0.59 4.37 4.64 -1.56 -2.68 113.55 119.81 1t1n h SER 44 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1t1n h SER 44 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1t1n h SER 44 CO 0.01 0.04 0.00 0.00 -0.87 0.00 0.00 176.83 176.01 1t1n n HIS 45 N -3.15 0.00 -3.22 4.77 1.44 -1.26 -4.74 115.22 109.05 1t1n n HIS 45 Ca 0.01 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.38 1t1n n HIS 45 Cb 0.33 -0.40 -0.06 0.00 0.12 0.00 0.00 29.99 29.98 1t1n n HIS 45 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1t1n s TRP 46 N -2.80 3.51 0.27 -1.40 0.51 -1.01 -4.98 118.94 113.04 1t1n s TRP 46 Ca 0.15 1.17 0.03 0.00 -2.12 0.00 0.00 56.10 55.33 1t1n s TRP 46 Cb 0.15 -2.48 0.36 0.00 -0.81 0.00 0.00 33.47 30.69 1t1n s TRP 46 CO 0.37 0.27 1.67 -1.00 -0.51 0.00 0.00 176.95 177.74 1t1n h PRO 47 N 2.92 0.42 -4.22 4.98 0.13 -1.89 -3.41 132.00 130.92 1t1n h PRO 47 Ca -0.48 -0.19 -0.54 0.00 -0.87 0.00 0.00 66.00 63.92 1t1n h PRO 47 Cb 1.18 -0.01 -0.37 0.00 0.13 0.00 0.00 31.00 31.93 1t1n h PRO 47 CO 0.66 0.73 -0.80 0.34 -0.23 0.00 0.00 178.00 178.70 1t1n s ASP 48 N -6.85 2.53 -0.45 1.44 -1.08 -1.26 -5.01 116.67 105.99 1t1n s ASP 48 Ca -0.06 -0.49 0.09 0.00 -0.52 0.00 0.00 52.55 51.57 1t1n s ASP 48 Cb 0.13 -0.90 0.37 0.00 -1.46 0.00 0.00 42.92 41.07 1t1n s ASP 48 CO 0.79 -0.15 0.90 0.52 0.52 0.00 0.00 175.17 177.76 1t1n n VAL 49 N 4.90 1.54 -4.21 1.11 0.31 -1.26 -4.67 118.33 116.04 1t1n n VAL 49 Ca -0.12 -4.76 -0.20 0.00 -0.01 0.00 0.00 64.34 59.25 1t1n n VAL 49 Cb 0.49 -0.67 -0.12 0.00 -0.91 0.00 0.00 33.84 32.63 1t1n n VAL 49 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1t1n s THR 50 N -3.73 1.33 0.31 2.52 -4.23 -1.26 -4.98 115.64 105.60 1t1n s THR 50 Ca 0.42 -1.40 0.13 0.00 -1.18 0.00 0.00 61.69 59.66 1t1n s THR 50 Cb 0.35 -1.25 0.33 0.00 1.34 0.00 0.00 72.50 73.26 1t1n s THR 50 CO -0.10 -0.17 1.39 -2.65 -0.54 0.00 0.00 174.62 172.54 1t1n n PRO 51 N 1.19 -0.06 -0.19 3.99 -0.02 -1.26 -1.20 135.00 137.45 1t1n n PRO 51 Ca -0.20 1.25 -0.07 0.00 -2.02 0.00 0.00 63.50 62.45 1t1n n PRO 51 Cb 0.54 -2.15 0.02 0.00 -0.02 0.00 0.00 33.50 31.89 1t1n n PRO 51 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1t1n h GLY 52 N 0.00 0.83 0.00 -1.23 0.00 -1.99 -3.46 103.07 97.22 1t1n h GLY 52 Ca 0.67 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1t1n h GLY 52 CO -0.73 0.38 0.00 -1.26 0.00 0.00 0.00 176.54 174.93 1t1n n SER 53 N -4.59 0.00 0.20 0.19 2.88 -0.34 -4.76 113.62 107.20 1t1n n SER 53 Ca 0.03 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.62 1t1n n SER 53 Cb 0.11 0.00 0.40 0.00 -0.75 0.00 0.00 64.21 63.97 1t1n n SER 53 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1t1n h PRO 54 N 0.00 0.00 -0.04 -1.46 0.13 -1.88 -2.76 132.00 125.99 1t1n h PRO 54 Ca 0.00 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.94 1t1n h PRO 54 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1t1n h PRO 54 CO 0.00 0.35 -0.81 -0.91 -0.23 0.00 0.00 178.00 176.40 1t1n h ASN 55 N 0.00 0.40 0.01 1.44 4.21 -1.90 -2.55 115.58 117.20 1t1n h ASN 55 Ca -0.00 -0.29 -0.21 0.00 1.21 0.00 0.00 56.30 57.01 1t1n h ASN 55 Cb 0.73 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.81 1t1n h ASN 55 CO 0.05 1.05 -0.77 0.40 -1.29 0.00 0.00 177.43 176.87 1t1n h ILE 56 N 0.20 1.32 -0.77 2.81 2.04 -1.81 -2.09 117.51 119.22 1t1n h ILE 56 Ca -0.04 -2.05 -0.04 0.00 1.00 0.00 0.00 64.86 63.72 1t1n h ILE 56 Cb 1.40 2.04 -0.03 0.00 -0.74 0.00 0.00 36.82 39.49 1t1n h ILE 56 CO 0.13 0.64 0.31 0.50 0.00 0.00 0.00 178.15 179.73 1t1n h LYS 57 N 0.44 1.15 0.05 2.37 3.64 -1.50 0.18 116.57 122.89 1t1n h LYS 57 Ca -0.05 -0.21 -0.25 0.00 -1.27 0.00 0.00 60.65 58.88 1t1n h LYS 57 Cb 1.38 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 33.02 1t1n h LYS 57 CO 0.15 0.94 -1.06 0.00 -2.27 0.00 0.00 179.45 177.21 1t1n h ALA 58 N 1.16 0.25 0.00 5.00 0.00 -1.32 -2.96 119.26 121.39 1t1n h ALA 58 Ca 0.26 -0.76 -0.18 0.00 0.00 0.00 0.00 54.91 54.22 1t1n h ALA 58 Cb 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1t1n h ALA 58 CO -0.02 0.84 -0.86 1.25 0.00 0.00 0.00 179.25 180.46 1t1n h HIS 59 N 0.19 0.05 -0.08 0.00 -0.00 -1.30 -3.10 115.15 110.91 1t1n h HIS 59 Ca -0.11 -0.03 -0.10 0.00 -0.00 0.00 0.00 60.37 60.14 1t1n h HIS 59 Cb 1.72 -0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 29.12 1t1n h HIS 59 CO 0.07 0.87 -0.40 0.78 -0.00 0.00 0.00 177.93 179.25 1t1n h GLY 60 N 2.44 0.18 0.82 5.26 0.00 -0.59 -1.87 103.07 109.32 1t1n h GLY 60 Ca -0.02 -0.17 0.04 0.00 0.00 0.00 0.00 47.33 47.18 1t1n h GLY 60 CO 0.12 0.15 0.40 1.70 0.00 0.00 0.00 176.54 178.91 1t1n h LYS 61 N 0.14 0.75 -0.36 4.80 3.64 -1.47 -2.28 116.57 121.80 1t1n h LYS 61 Ca 0.01 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.27 1t1n h LYS 61 Cb 0.77 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 1t1n h LYS 61 CO 0.06 0.50 -0.11 0.87 -2.27 0.00 0.00 179.45 178.50 1t1n h LYS 62 N 0.77 0.63 -0.12 1.90 1.57 -1.36 -2.03 116.57 117.93 1t1n h LYS 62 Ca 0.28 -0.19 -0.22 0.00 -1.87 0.00 0.00 60.65 58.65 1t1n h LYS 62 Cb 0.07 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.32 1t1n h LYS 62 CO -0.13 0.73 -0.79 0.28 -0.57 0.00 0.00 179.45 178.97 1t1n h VAL 63 N 0.58 1.30 0.00 0.50 2.07 -1.16 -2.12 116.25 117.42 1t1n h VAL 63 Ca 0.10 -2.04 -0.03 0.00 0.82 0.00 0.00 66.70 65.56 1t1n h VAL 63 Cb 0.53 2.04 -0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1t1n h VAL 63 CO 0.03 0.64 -0.13 0.24 0.02 0.00 0.00 177.57 178.37 1t1n h MET 64 N 0.46 0.00 -0.19 1.57 2.86 -1.36 -1.50 114.93 116.78 1t1n h MET 64 Ca -0.05 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.41 1t1n h MET 64 Cb 1.40 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.06 1t1n h MET 64 CO 0.15 0.13 -0.62 0.78 1.06 0.00 0.00 176.91 178.41 1t1n h GLY 65 N 2.11 0.72 1.77 8.32 0.00 -1.14 -0.40 103.07 114.45 1t1n h GLY 65 Ca -0.00 -0.90 -0.10 0.00 0.00 0.00 0.00 47.33 46.33 1t1n h GLY 65 CO 0.02 0.80 -0.39 -1.33 0.00 0.00 0.00 176.54 175.64 1t1n h GLY 66 N 0.92 0.28 0.76 4.60 0.00 -0.69 -1.55 103.07 107.38 1t1n h GLY 66 Ca -0.01 -0.25 -0.07 0.00 0.00 0.00 0.00 47.33 46.99 1t1n h GLY 66 CO 0.12 0.23 -0.20 -2.22 0.00 0.00 0.00 176.54 174.48 1t1n h ILE 67 N 0.21 1.35 -0.92 2.60 1.08 -1.17 -1.11 117.51 119.56 1t1n h ILE 67 Ca 0.02 -1.40 0.10 0.00 -0.39 0.00 0.00 64.86 63.19 1t1n h ILE 67 Cb 0.79 1.92 -0.07 0.00 -3.07 0.00 0.00 36.82 36.39 1t1n h ILE 67 CO 0.06 0.41 0.59 0.00 -0.69 0.00 0.00 178.15 178.53 1t1n h ALA 68 N 0.59 1.61 -0.53 1.87 0.00 -0.89 0.09 119.26 122.01 1t1n h ALA 68 Ca 0.02 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1t1n h ALA 68 Cb 0.75 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1t1n h ALA 68 CO 0.05 0.20 0.19 1.25 0.00 0.00 0.00 179.25 180.94 1t1n h LEU 69 N 0.92 0.74 -1.23 0.00 5.85 -1.10 -2.18 115.31 118.30 1t1n h LEU 69 Ca 0.43 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.92 1t1n h LEU 69 Cb 0.41 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1t1n h LEU 69 CO -0.19 0.72 0.08 0.00 -0.34 0.00 0.00 178.44 178.71 1t1n h ALA 70 N 1.05 1.38 0.00 1.25 0.00 0.28 -0.30 119.26 122.91 1t1n h ALA 70 Ca 0.17 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1t1n h ALA 70 Cb 0.23 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1t1n h ALA 70 CO -0.01 0.44 -0.00 0.28 0.00 0.00 0.00 179.25 179.96 1t1n h VAL 71 N 0.60 1.10 -0.01 0.00 2.07 -0.94 -0.90 116.25 118.18 1t1n h VAL 71 Ca 0.14 -0.31 -0.08 0.00 0.82 0.00 0.00 66.70 67.26 1t1n h VAL 71 Cb 0.26 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1t1n h VAL 71 CO -0.00 0.08 -0.38 0.77 0.02 0.00 0.00 177.57 178.06 1t1n h SER 72 N -0.13 0.02 -0.62 0.57 4.64 -1.12 -2.27 113.55 114.63 1t1n h SER 72 Ca -0.00 -0.01 -0.23 0.00 -0.47 0.00 0.00 61.79 61.08 1t1n h SER 72 Cb 0.13 -0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.08 1t1n h SER 72 CO 0.00 0.40 0.29 0.29 -0.87 0.00 0.00 176.83 176.94 1t1n n LYS 73 N -4.08 2.78 0.31 4.77 4.76 -0.15 -4.72 118.16 121.83 1t1n n LYS 73 Ca -0.02 -2.32 0.14 0.00 -2.87 0.00 0.00 58.31 53.24 1t1n n LYS 73 Cb 0.42 -1.97 0.74 0.00 -1.84 0.00 0.00 35.03 32.38 1t1n n LYS 73 CO 0.00 0.00 0.00 0.97 -1.37 0.00 0.00 177.40 177.00 1t1n h ILE 74 N 1.69 0.00 0.00 -0.18 2.10 -0.54 -1.76 117.51 118.82 1t1n h ILE 74 Ca 0.28 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.22 1t1n h ILE 74 Cb 2.09 0.60 0.00 0.00 -1.09 0.00 0.00 36.82 38.42 1t1n h ILE 74 CO 0.65 0.00 -0.78 0.44 -1.08 0.00 0.00 178.15 177.37 1t1n h ASP 75 N 0.00 0.00 -2.30 2.19 3.32 -1.87 -3.39 116.42 114.37 1t1n h ASP 75 Ca 0.00 -0.02 -0.51 0.00 0.02 0.00 0.00 57.03 56.52 1t1n h ASP 75 Cb 0.65 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 39.84 1t1n h ASP 75 CO 0.00 0.01 -0.83 -0.62 -1.72 0.00 0.00 179.24 176.08 1t1n s ASP 76 N -5.41 1.94 0.17 6.45 2.15 -0.66 -4.99 116.67 116.32 1t1n s ASP 76 Ca 0.01 -2.24 -0.11 0.00 0.43 0.00 0.00 52.55 50.64 1t1n s ASP 76 Cb 0.09 -0.07 0.05 0.00 -0.30 0.00 0.00 42.92 42.69 1t1n s ASP 76 CO 0.76 -0.25 1.65 -0.07 -0.17 0.00 0.00 175.17 177.10 1t1n h LEU 77 N 6.59 0.91 -0.62 -1.34 3.38 -1.77 -2.12 115.31 120.35 1t1n h LEU 77 Ca 0.11 -0.26 0.10 0.00 0.09 0.00 0.00 57.88 57.92 1t1n h LEU 77 Cb 0.98 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.42 1t1n h LEU 77 CO 0.26 0.94 0.22 0.50 0.09 0.00 0.00 178.44 180.46 1t1n h LYS 78 N 0.84 0.39 0.25 1.13 3.64 -1.91 -1.97 116.57 118.94 1t1n h LYS 78 Ca 0.17 -0.02 -0.34 0.00 -1.27 0.00 0.00 60.65 59.19 1t1n h LYS 78 Cb 0.42 -0.09 0.04 0.00 -0.41 0.00 0.00 32.23 32.19 1t1n h LYS 78 CO 0.01 0.26 -1.50 1.15 -2.27 0.00 0.00 179.45 177.09 1t1n h THR 79 N 0.40 1.26 -0.06 1.00 2.02 -1.95 -3.16 112.91 112.41 1t1n h THR 79 Ca 0.31 -2.70 0.02 0.00 0.77 0.00 0.00 66.41 64.81 1t1n h THR 79 Cb 0.40 3.02 -0.00 0.00 -1.74 0.00 0.00 68.15 69.82 1t1n h THR 79 CO -0.32 0.82 0.04 1.23 0.37 0.00 0.00 175.52 177.66 1t1n h GLY 80 N 0.27 0.00 -1.02 2.16 0.00 -1.12 -3.01 103.07 100.35 1t1n h GLY 80 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.07 1t1n h GLY 80 CO 0.27 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.85 1t1n n LEU 81 N -4.52 3.07 -0.11 3.11 4.77 -0.76 -4.71 117.00 117.85 1t1n n LEU 81 Ca -0.02 -2.56 0.06 0.00 -0.03 0.00 0.00 56.01 53.47 1t1n n LEU 81 Cb 0.15 -0.35 0.40 0.00 -2.33 0.00 0.00 43.42 41.29 1t1n n LEU 81 CO 0.34 0.67 1.20 -0.03 -1.33 0.00 0.00 177.39 178.24 1t1n h MET 82 N 1.33 0.62 -0.30 3.23 4.05 -1.49 -0.14 114.93 122.24 1t1n h MET 82 Ca 0.00 -0.04 -0.14 0.00 -0.28 0.00 0.00 59.70 59.24 1t1n h MET 82 Cb 1.02 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 31.67 1t1n h MET 82 CO 0.09 0.41 -0.35 0.93 0.23 0.00 0.00 176.91 178.21 1t1n h GLU 83 N 0.64 0.77 -0.15 0.39 5.08 -1.84 -2.14 114.58 117.33 1t1n h GLU 83 Ca 0.25 -0.43 -0.11 0.00 -1.00 0.00 0.00 59.36 58.08 1t1n h GLU 83 Cb 0.19 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1t1n h GLU 83 CO -0.07 1.06 -0.38 -0.07 -1.00 0.00 0.00 179.01 178.55 1t1n h LEU 84 N 0.53 0.33 -0.68 1.33 3.38 -1.83 -2.39 115.31 115.98 1t1n h LEU 84 Ca 0.04 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 1t1n h LEU 84 Cb 0.94 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1t1n h LEU 84 CO 0.08 0.68 -0.22 -1.28 0.09 0.00 0.00 178.44 177.80 1t1n h SER 85 N 0.27 0.80 -0.04 -0.43 0.87 -0.94 -2.40 113.55 111.68 1t1n h SER 85 Ca 0.03 -0.29 0.01 0.00 -1.23 0.00 0.00 61.79 60.31 1t1n h SER 85 Cb 0.79 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 1t1n h SER 85 CO 0.06 1.00 -0.02 -0.08 -0.53 0.00 0.00 176.83 177.27 1t1n h GLU 86 N 0.69 -0.01 0.05 2.24 4.57 -1.25 -1.45 114.58 119.41 1t1n h GLU 86 Ca 0.10 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 1t1n h GLU 86 Cb 0.74 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.32 1t1n h GLU 86 CO 0.06 -0.01 -0.06 0.37 -1.18 0.00 0.00 179.01 178.19 1t1n h GLN 87 N -0.01 -0.12 0.01 1.92 5.75 -1.38 -0.58 115.11 120.69 1t1n h GLN 87 Ca 0.02 0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.53 1t1n h GLN 87 Cb 0.04 0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.62 1t1n h GLN 87 CO -0.05 -0.08 -0.00 0.45 -2.65 0.00 0.00 178.83 176.49 1t1n h HIS 88 N -0.13 -0.01 0.00 3.99 3.86 -1.46 -1.29 115.15 120.11 1t1n h HIS 88 Ca 0.01 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 1t1n h HIS 88 Cb 0.13 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.60 1t1n h HIS 88 CO -0.11 -0.01 -0.11 0.00 0.86 0.00 0.00 177.93 178.57 1t1n h ALA 89 N -1.10 0.96 -3.00 2.45 0.00 -1.42 0.26 119.26 117.41 1t1n h ALA 89 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1t1n h ALA 89 Cb 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1t1n h ALA 89 CO 0.00 0.13 0.00 0.98 0.00 0.00 0.00 179.25 180.37 1t1n n TYR 90 N -3.16 0.00 0.00 0.00 9.36 -0.29 -4.34 117.16 118.73 1t1n n TYR 90 Ca 0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.24 1t1n n TYR 90 Cb 0.48 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.19 1t1n n TYR 90 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1t1n n LYS 91 N -1.18 0.00 0.00 2.98 4.81 -0.84 -2.88 118.16 121.05 1t1n n LYS 91 Ca 0.00 0.08 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 1t1n n LYS 91 Cb 0.00 -0.59 0.00 0.00 0.02 0.00 0.00 35.03 34.46 1t1n n LYS 91 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1t1n n LEU 92 N -0.16 0.00 -2.46 3.14 4.77 -0.49 -4.81 117.00 116.99 1t1n n LEU 92 Ca 0.00 0.29 -0.01 0.00 -0.03 0.00 0.00 56.01 56.26 1t1n n LEU 92 Cb 0.00 -0.29 -0.00 0.00 -2.33 0.00 0.00 43.42 40.80 1t1n n LEU 92 CO 0.00 -0.29 -0.02 0.54 -1.33 0.00 0.00 177.39 176.29 1t1n n ARG 93 N -1.29 -2.87 -1.55 3.23 5.12 0.81 -4.80 116.66 115.31 1t1n n ARG 93 Ca 0.00 0.07 -0.55 0.00 -1.93 0.00 0.00 57.85 55.44 1t1n n ARG 93 Cb 0.00 -4.57 -0.07 0.00 -1.16 0.00 0.00 32.46 26.67 1t1n n ARG 93 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1t1n n VAL 94 N -2.56 0.10 -2.41 1.55 0.31 -0.51 -4.85 118.33 109.96 1t1n n VAL 94 Ca -0.02 -0.02 -0.42 0.00 -0.01 0.00 0.00 64.34 63.86 1t1n n VAL 94 Cb 0.50 -0.44 -0.03 0.00 -0.91 0.00 0.00 33.84 32.96 1t1n n VAL 94 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1t1n s ASP 95 N 0.21 7.00 0.64 4.52 -1.08 -1.26 -4.66 116.67 122.03 1t1n s ASP 95 Ca 0.86 1.84 0.41 0.00 -0.52 0.00 0.00 52.55 55.14 1t1n s ASP 95 Cb -1.09 -2.55 2.17 0.00 -1.46 0.00 0.00 42.92 39.99 1t1n s ASP 95 CO 0.52 -0.64 2.29 1.55 0.52 0.00 0.00 175.17 179.41 1t1n h PRO 96 N 7.66 0.00 0.00 4.34 0.13 -2.00 0.65 132.00 142.78 1t1n h PRO 96 Ca -0.33 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1t1n h PRO 96 Cb 1.15 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 1t1n h PRO 96 CO 0.90 0.01 -0.00 0.77 -0.23 0.00 0.00 178.00 179.45 1t1n h SER 97 N 0.00 0.00 1.62 1.44 0.02 -2.01 -1.68 113.55 112.94 1t1n h SER 97 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1t1n h SER 97 Cb 0.10 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.64 1t1n h SER 97 CO 0.00 0.00 -0.02 0.78 -1.14 0.00 0.00 176.83 176.45 1t1n h ASN 98 N 0.00 0.00 -0.45 3.07 -0.26 -1.25 -3.14 115.58 113.55 1t1n h ASN 98 Ca -0.00 0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 55.61 1t1n h ASN 98 Cb 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.25 1t1n h ASN 98 CO 0.00 0.02 -0.21 -0.26 -1.06 0.00 0.00 177.43 175.92 1t1n h PHE 99 N 0.00 1.09 -0.28 1.19 0.04 -1.48 -1.80 116.94 115.69 1t1n h PHE 99 Ca -0.00 -0.27 -0.01 0.00 2.80 0.00 0.00 57.97 60.50 1t1n h PHE 99 Cb 0.84 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.72 1t1n h PHE 99 CO 0.00 1.08 0.15 0.87 -0.60 0.00 0.00 178.31 179.80 1t1n h LYS 100 N 0.78 0.37 0.02 1.51 1.57 -1.68 -0.99 116.57 118.16 1t1n h LYS 100 Ca 0.10 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1t1n h LYS 100 Cb 0.79 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1t1n h LYS 100 CO 0.07 0.28 -0.01 0.82 -0.57 0.00 0.00 179.45 180.04 1t1n h ILE 101 N 0.38 1.26 -0.43 1.86 2.04 -1.47 -1.40 117.51 119.75 1t1n h ILE 101 Ca 0.10 -0.88 -0.02 0.00 1.00 0.00 0.00 64.86 65.06 1t1n h ILE 101 Cb 0.02 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 1t1n h ILE 101 CO -0.02 0.22 0.17 0.25 0.00 0.00 0.00 178.15 178.78 1t1n h LEU 102 N -0.41 0.55 -0.60 1.44 5.85 -1.08 -2.21 115.31 118.84 1t1n h LEU 102 Ca -0.00 -0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.57 1t1n h LEU 102 Cb 0.39 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1t1n h LEU 102 CO 0.01 0.50 0.01 0.78 -0.34 0.00 0.00 178.44 179.40 1t1n h ASN 103 N 0.61 1.03 -0.40 1.25 -0.26 -1.06 -1.70 115.58 115.04 1t1n h ASN 103 Ca 0.15 -0.30 0.05 0.00 -0.56 0.00 0.00 56.30 55.63 1t1n h ASN 103 Cb 0.12 -0.28 -0.04 0.00 -1.06 0.00 0.00 38.32 37.06 1t1n h ASN 103 CO -0.02 1.08 0.15 -0.74 -1.06 0.00 0.00 177.43 176.85 1t1n h HIS 104 N 0.96 0.27 0.00 1.19 2.76 -0.89 -2.19 115.15 117.24 1t1n h HIS 104 Ca 0.17 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.29 1t1n h HIS 104 Cb 0.55 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.43 1t1n h HIS 104 CO 0.04 0.11 -0.37 0.00 -1.30 0.00 0.00 177.93 176.42 1t1n h ILE 106 N 0.00 1.28 -0.71 0.00 2.04 -1.10 -0.92 117.51 118.11 1t1n h ILE 106 Ca -0.00 -1.16 -0.01 0.00 1.00 0.00 0.00 64.86 64.68 1t1n h ILE 106 Cb 0.66 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 38.03 1t1n h ILE 106 CO 0.05 0.38 0.39 -0.07 0.00 0.00 0.00 178.15 178.90 1t1n h LEU 107 N 0.45 0.87 -0.35 1.44 3.38 -0.83 0.15 115.31 120.42 1t1n h LEU 107 Ca 0.08 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 1t1n h LEU 107 Cb 0.60 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1t1n h LEU 107 CO 0.04 0.70 -0.08 0.58 0.09 0.00 0.00 178.44 179.77 1t1n h VAL 108 N 0.98 1.28 -0.07 1.22 2.07 -0.95 -0.42 116.25 120.37 1t1n h VAL 108 Ca 0.25 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 1t1n h VAL 108 Cb 0.02 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1t1n h VAL 108 CO -0.04 0.37 0.01 0.58 0.02 0.00 0.00 177.57 178.51 1t1n h VAL 109 N 0.45 1.20 -0.57 2.57 2.07 -0.78 -0.33 116.25 120.86 1t1n h VAL 109 Ca 0.09 -0.59 0.06 0.00 0.82 0.00 0.00 66.70 67.07 1t1n h VAL 109 Cb 0.58 1.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.76 1t1n h VAL 109 CO 0.03 0.17 0.28 0.40 0.02 0.00 0.00 177.57 178.46 1t1n h ILE 110 N -0.11 0.92 -0.70 4.57 2.04 -0.68 -1.28 117.51 122.27 1t1n h ILE 110 Ca 0.02 -0.18 0.09 0.00 1.00 0.00 0.00 64.86 65.79 1t1n h ILE 110 Cb 0.25 0.35 -0.07 0.00 -0.74 0.00 0.00 36.82 36.61 1t1n h ILE 110 CO 0.00 0.09 0.34 -1.28 0.00 0.00 0.00 178.15 177.31 1t1n h SER 111 N 0.52 0.44 -0.93 1.72 0.87 -0.78 0.53 113.55 115.92 1t1n h SER 111 Ca 0.26 0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.90 1t1n h SER 111 Cb 0.20 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.10 1t1n h SER 111 CO -0.20 0.25 0.62 0.74 -0.53 0.00 0.00 176.83 177.71 1t1n h THR 112 N 0.58 1.21 0.01 2.23 2.02 -0.44 -3.13 112.91 115.39 1t1n h THR 112 Ca 0.34 -0.42 -0.32 0.00 0.77 0.00 0.00 66.41 66.78 1t1n h THR 112 Cb 0.36 -0.13 -0.05 0.00 -1.74 0.00 0.00 68.15 66.59 1t1n h THR 112 CO -0.27 0.22 -1.92 0.23 0.37 0.00 0.00 175.52 174.16 1t1n n MET 113 N -4.41 0.66 -3.22 6.66 2.00 -0.54 -4.68 117.12 113.59 1t1n n MET 113 Ca 0.12 0.22 -0.24 0.00 0.00 0.00 0.00 57.70 57.80 1t1n n MET 113 Cb 0.05 -1.71 -0.06 0.00 0.00 0.00 0.00 33.22 31.50 1t1n n MET 113 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 1t1n n PHE 114 N -3.04 0.78 -0.10 2.03 3.72 0.18 -4.92 117.46 116.11 1t1n n PHE 114 Ca -0.23 -3.75 0.00 0.00 -0.05 0.00 0.00 57.45 53.42 1t1n n PHE 114 Cb 1.07 -0.41 0.28 0.00 -0.94 0.00 0.00 39.48 39.48 1t1n n PHE 114 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1t1n h PRO 115 N 3.76 0.76 -0.24 -1.08 0.13 -1.72 0.14 132.00 133.75 1t1n h PRO 115 Ca 0.10 -0.10 -0.10 0.00 -0.87 0.00 0.00 66.00 65.04 1t1n h PRO 115 Cb 0.83 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 31.82 1t1n h PRO 115 CO 0.56 0.60 -0.24 -0.22 -0.23 0.00 0.00 178.00 178.47 1t1n h LYS 116 N 0.76 0.59 0.00 0.86 3.64 -1.91 -3.13 116.57 117.37 1t1n h LYS 116 Ca 0.19 -0.31 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 1t1n h LYS 116 Cb 0.11 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1t1n h LYS 116 CO -0.02 0.91 -0.22 0.93 -2.27 0.00 0.00 179.45 178.78 1t1n h GLU 117 N 0.29 0.00 -3.55 1.90 3.07 -1.92 -3.38 114.58 110.99 1t1n h GLU 117 Ca 0.04 0.00 -0.75 0.00 -0.50 0.00 0.00 59.36 58.15 1t1n h GLU 117 Cb 0.80 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 28.58 1t1n h GLU 117 CO 0.06 0.10 2.30 0.34 -1.40 0.00 0.00 179.01 180.41 1t1n n PHE 118 N -3.08 3.02 -1.96 4.33 7.35 0.47 -4.82 117.46 122.78 1t1n n PHE 118 Ca 0.03 -2.83 -0.28 0.00 -0.76 0.00 0.00 57.45 53.61 1t1n n PHE 118 Cb 0.58 -2.07 0.09 0.00 0.35 0.00 0.00 39.48 38.42 1t1n n PHE 118 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1t1n s THR 119 N 0.91 2.05 0.41 -2.13 -4.23 -1.26 -4.84 115.64 106.55 1t1n s THR 119 Ca 0.42 -0.05 0.13 0.00 -1.18 0.00 0.00 61.69 61.01 1t1n s THR 119 Cb 0.11 -3.00 0.14 0.00 1.34 0.00 0.00 72.50 71.09 1t1n s THR 119 CO -0.02 0.00 1.91 1.55 -0.54 0.00 0.00 174.62 177.52 1t1n h PRO 120 N -0.99 0.01 -0.13 3.99 0.13 -1.97 0.49 132.00 133.53 1t1n h PRO 120 Ca -0.46 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 1t1n h PRO 120 Cb 1.33 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 1t1n h PRO 120 CO 0.64 0.28 -0.05 0.93 -0.23 0.00 0.00 178.00 179.57 1t1n h GLU 121 N 0.01 0.26 -0.01 0.86 3.07 -1.97 -1.79 114.58 115.01 1t1n h GLU 121 Ca -0.00 -0.11 -0.02 0.00 -0.50 0.00 0.00 59.36 58.73 1t1n h GLU 121 Cb 0.49 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.38 1t1n h GLU 121 CO 0.04 0.59 -0.11 0.00 -1.40 0.00 0.00 179.01 178.13 1t1n h ALA 122 N 0.67 1.81 -0.01 3.43 0.00 -1.76 -3.07 119.26 120.33 1t1n h ALA 122 Ca 0.03 -0.10 -0.26 0.00 0.00 0.00 0.00 54.91 54.58 1t1n h ALA 122 Cb 0.50 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.29 1t1n h ALA 122 CO 0.02 0.14 -1.02 1.25 0.00 0.00 0.00 179.25 179.64 1t1n h HIS 123 N 0.01 1.04 -0.95 0.00 6.17 -0.63 -1.39 115.15 119.40 1t1n h HIS 123 Ca 0.00 -0.55 0.01 0.00 0.71 0.00 0.00 60.37 60.53 1t1n h HIS 123 Cb 0.19 -0.12 -0.05 0.00 2.52 0.00 0.00 27.41 29.96 1t1n h HIS 123 CO 0.00 1.39 0.62 0.28 0.71 0.00 0.00 177.93 180.93 1t1n h VAL 124 N 0.41 1.25 0.06 5.26 2.07 -1.23 -0.63 116.25 123.44 1t1n h VAL 124 Ca -0.12 -0.47 -0.16 0.00 0.82 0.00 0.00 66.70 66.77 1t1n h VAL 124 Cb 1.67 -0.13 0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1t1n h VAL 124 CO 0.20 0.24 -0.68 0.28 0.02 0.00 0.00 177.57 177.64 1t1n h SER 125 N 1.29 0.48 -0.42 0.57 0.02 -1.61 -1.38 113.55 112.50 1t1n h SER 125 Ca 0.34 -0.85 0.03 0.00 -0.84 0.00 0.00 61.79 60.47 1t1n h SER 125 Cb -0.13 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.24 1t1n h SER 125 CO -0.07 1.29 0.28 0.25 -1.14 0.00 0.00 176.83 177.43 1t1n h LEU 126 N -0.26 0.39 -0.25 5.07 5.85 -1.22 -0.99 115.31 123.91 1t1n h LEU 126 Ca -0.10 -0.01 -0.21 0.00 0.84 0.00 0.00 57.88 58.40 1t1n h LEU 126 Cb 1.45 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.39 1t1n h LEU 126 CO 0.13 0.27 -0.82 -0.78 -0.34 0.00 0.00 178.44 176.91 1t1n h ASP 127 N 0.46 0.66 -0.48 1.25 3.58 -1.06 0.30 116.42 121.13 1t1n h ASP 127 Ca 0.17 -0.46 -0.11 0.00 0.42 0.00 0.00 57.03 57.04 1t1n h ASP 127 Cb 0.10 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 40.94 1t1n h ASP 127 CO -0.04 1.24 -0.13 0.11 -2.88 0.00 0.00 179.24 177.54 1t1n h LYS 128 N 0.35 0.96 0.49 0.28 1.57 -0.94 -2.05 116.57 117.23 1t1n h LYS 128 Ca -0.06 -0.36 -0.02 0.00 -1.87 0.00 0.00 60.65 58.34 1t1n h LYS 128 Cb 1.43 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.68 1t1n h LYS 128 CO 0.15 1.02 -0.23 0.35 -0.57 0.00 0.00 179.45 180.17 1t1n h PHE 129 N 0.85 -0.61 -0.86 -1.35 3.57 -1.13 -0.99 116.94 116.42 1t1n h PHE 129 Ca 0.13 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.76 1t1n h PHE 129 Cb 0.68 0.20 -0.07 0.00 2.79 0.00 0.00 35.95 39.55 1t1n h PHE 129 CO 0.04 -0.29 0.56 -0.07 -2.23 0.00 0.00 178.31 176.32 1t1n h LEU 130 N -0.88 0.59 -1.27 0.59 3.38 -0.97 0.26 115.31 117.02 1t1n h LEU 130 Ca -0.07 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1t1n h LEU 130 Cb 0.59 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1t1n h LEU 130 CO 0.11 0.30 -0.31 0.28 0.09 0.00 0.00 178.44 178.91 1t1n h SER 131 N 0.63 0.00 0.07 -0.43 0.02 -1.26 -2.23 113.55 110.36 1t1n h SER 131 Ca 0.43 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.25 1t1n h SER 131 Cb 0.76 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.29 1t1n h SER 131 CO -0.19 0.31 -0.44 1.23 -1.14 0.00 0.00 176.83 176.61 1t1n h GLY 132 N 1.49 0.49 0.94 -3.77 0.00 0.85 -1.78 103.07 101.29 1t1n h GLY 132 Ca -0.00 -0.50 -0.00 0.00 0.00 0.00 0.00 47.33 46.82 1t1n h GLY 132 CO 0.04 0.45 0.08 -2.08 0.00 0.00 0.00 176.54 175.03 1t1n h VAL 133 N 0.37 1.09 -0.58 4.60 2.07 -0.95 0.44 116.25 123.29 1t1n h VAL 133 Ca 0.03 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1t1n h VAL 133 Cb 0.92 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 1t1n h VAL 133 CO 0.08 0.08 0.30 0.00 0.02 0.00 0.00 177.57 178.05 1t1n h ALA 134 N 0.98 0.74 -0.30 1.67 0.00 -1.31 0.24 119.26 121.28 1t1n h ALA 134 Ca 0.05 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1t1n h ALA 134 Cb 0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1t1n h ALA 134 CO -0.01 0.29 -0.12 1.25 0.00 0.00 0.00 179.25 180.66 1t1n h LEU 135 N 0.78 0.50 -0.24 0.00 5.85 -1.25 -1.26 115.31 119.69 1t1n h LEU 135 Ca 0.20 -0.13 -0.21 0.00 0.84 0.00 0.00 57.88 58.58 1t1n h LEU 135 Cb 0.09 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 40.99 1t1n h LEU 135 CO -0.03 0.65 -0.71 0.00 -0.34 0.00 0.00 178.44 178.01 1t1n h ALA 136 N 1.40 0.39 0.00 1.25 0.00 0.36 -3.00 119.26 119.66 1t1n h ALA 136 Ca 0.09 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1t1n h ALA 136 Cb 0.50 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1t1n h ALA 136 CO 0.03 0.69 -0.11 -0.07 0.00 0.00 0.00 179.25 179.79 1t1n h LEU 137 N 0.54 0.00 -0.34 0.00 3.38 -0.25 -2.69 115.31 115.95 1t1n h LEU 137 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1t1n h LEU 137 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1t1n h LEU 137 CO 0.15 0.11 -0.03 0.00 0.09 0.00 0.00 178.44 178.76 1t1n n ALA 138 N -2.43 2.67 -0.35 1.53 0.00 -0.50 -4.34 120.51 117.08 1t1n n ALA 138 Ca -0.03 -0.29 0.05 0.00 0.00 0.00 0.00 53.44 53.18 1t1n n ALA 138 Cb 0.19 -1.37 0.21 0.00 0.00 0.00 0.00 19.45 18.48 1t1n n ALA 138 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1t1n h GLU 139 N 0.84 0.97 -0.01 0.00 4.57 -1.46 -3.01 114.58 116.47 1t1n h GLU 139 Ca 0.00 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1t1n h GLU 139 Cb 0.24 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 1t1n h GLU 139 CO 0.00 0.64 -0.18 0.54 -1.18 0.00 0.00 179.01 178.83 1t1n n ARG 140 N -4.62 1.16 -0.12 1.92 5.12 -1.26 -4.30 116.66 114.56 1t1n n ARG 140 Ca 0.17 -0.71 -0.05 0.00 -1.93 0.00 0.00 57.85 55.33 1t1n n ARG 140 Cb 0.30 -1.49 0.03 0.00 -1.16 0.00 0.00 32.46 30.14 1t1n n ARG 140 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1t1n h TYR 141 N 1.73 0.26 0.00 -1.55 0.05 -1.74 -3.44 116.97 112.28 1t1n h TYR 141 Ca 0.00 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1t1n h TYR 141 Cb 0.53 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.22 1t1n h TYR 141 CO 0.00 0.10 0.00 2.89 -1.05 0.00 0.00 178.16 180.10