#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h3o n VAL 57 N 0.00 0.00 -4.14 0.61 0.24 -1.26 -5.18 118.33 108.60 1h3o n VAL 57 Ca 0.00 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.12 1h3o n VAL 57 Cb 0.00 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.21 1h3o n VAL 57 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1h3o s LEU 58 N 0.00 1.54 0.22 1.34 2.96 -1.26 -5.15 118.68 118.33 1h3o s LEU 58 Ca 0.00 -0.10 -0.03 0.00 -0.22 0.00 0.00 54.13 53.78 1h3o s LEU 58 Cb 0.00 -0.36 -0.05 0.00 0.50 0.00 0.00 46.19 46.28 1h3o s LEU 58 CO 0.00 -0.02 0.44 0.42 -1.32 0.00 0.00 176.35 175.88 1h3o s THR 59 N 0.56 5.13 0.30 3.68 -4.23 -1.26 -4.98 115.64 114.84 1h3o s THR 59 Ca -0.07 -0.15 0.33 0.00 -1.18 0.00 0.00 61.69 60.62 1h3o s THR 59 Cb -0.10 -3.71 0.35 0.00 1.34 0.00 0.00 72.50 70.38 1h3o s THR 59 CO -0.00 -0.19 2.06 0.11 -0.54 0.00 0.00 174.62 176.06 1h3o h LYS 60 N 2.04 0.00 0.14 3.99 1.57 -2.00 -2.08 116.57 120.22 1h3o h LYS 60 Ca -0.48 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.30 1h3o h LYS 60 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1h3o h LYS 60 CO 0.68 0.07 -0.07 1.57 -0.57 0.00 0.00 179.45 181.13 1h3o h LYS 61 N 0.00 -0.18 0.28 3.15 2.10 -1.98 -0.17 116.57 119.77 1h3o h LYS 61 Ca -0.00 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 1h3o h LYS 61 Cb 0.40 0.04 -0.03 0.00 -0.90 0.00 0.00 32.23 31.74 1h3o h LYS 61 CO 0.01 0.15 -0.41 0.87 -2.00 0.00 0.00 179.45 178.07 1h3o h LYS 62 N -0.53 -0.73 -0.73 0.07 6.56 -1.87 0.45 116.57 119.80 1h3o h LYS 62 Ca -0.02 0.05 0.16 0.00 -1.06 0.00 0.00 60.65 59.78 1h3o h LYS 62 Cb 0.42 0.17 -0.12 0.00 -0.57 0.00 0.00 32.23 32.12 1h3o h LYS 62 CO 0.03 -0.48 0.01 1.25 -2.06 0.00 0.00 179.45 178.20 1h3o h LEU 63 N -0.75 -0.31 -1.19 2.94 5.85 -1.41 0.57 115.31 121.01 1h3o h LEU 63 Ca -0.01 0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 1h3o h LEU 63 Cb 0.71 0.32 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 1h3o h LEU 63 CO -0.14 -0.16 0.10 1.56 -0.34 0.00 0.00 178.44 179.46 1h3o h GLN 64 N 0.12 0.67 -0.38 1.25 4.20 0.07 0.80 115.11 121.83 1h3o h GLN 64 Ca 0.39 -0.12 -0.08 0.00 0.06 0.00 0.00 58.65 58.90 1h3o h GLN 64 Cb 0.68 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 1h3o h GLN 64 CO -0.63 0.61 -0.07 -0.44 -0.67 0.00 0.00 178.83 177.64 1h3o h ASP 65 N 0.65 0.73 0.09 1.46 3.32 0.46 -0.47 116.42 122.66 1h3o h ASP 65 Ca 0.15 -0.35 0.01 0.00 0.02 0.00 0.00 57.03 56.85 1h3o h ASP 65 Cb 0.25 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1h3o h ASP 65 CO -0.00 0.91 -0.12 0.25 -1.72 0.00 0.00 179.24 178.56 1h3o h LEU 66 N 0.53 -0.31 -0.78 1.55 7.12 0.09 -1.83 115.31 121.68 1h3o h LEU 66 Ca 0.10 0.03 0.09 0.00 0.13 0.00 0.00 57.88 58.23 1h3o h LEU 66 Cb 0.58 0.11 -0.07 0.00 -0.53 0.00 0.00 40.66 40.75 1h3o h LEU 66 CO 0.03 -0.18 0.43 0.58 -0.13 0.00 0.00 178.44 179.18 1h3o h VAL 67 N -0.24 0.91 -0.72 1.05 2.07 -0.68 -2.20 116.25 116.44 1h3o h VAL 67 Ca 0.01 -0.25 -0.06 0.00 0.82 0.00 0.00 66.70 67.22 1h3o h VAL 67 Cb 0.25 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 1h3o h VAL 67 CO -0.05 0.14 0.22 0.03 0.02 0.00 0.00 177.57 177.92 1h3o h ARG 68 N 0.74 1.11 0.00 1.57 -0.00 -0.64 -1.96 114.38 115.21 1h3o h ARG 68 Ca 0.37 -0.24 0.00 0.00 -0.50 0.00 0.00 59.98 59.62 1h3o h ARG 68 Cb 0.33 -0.16 0.00 0.00 0.00 0.00 0.00 29.97 30.14 1h3o h ARG 68 CO -0.24 0.95 0.00 -0.85 0.00 0.00 0.00 179.97 179.83 1h3o n GLU 69 N -4.25 0.50 -0.07 0.04 -0.00 -0.73 -1.63 120.64 114.51 1h3o n GLU 69 Ca 0.06 0.01 -0.09 0.00 -0.00 0.00 0.00 57.16 57.14 1h3o n GLU 69 Cb 0.23 -1.50 -0.08 0.00 -0.00 0.00 0.00 31.44 30.09 1h3o n GLU 69 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1h3o n VAL 70 N -1.02 0.85 -3.16 3.84 0.31 -0.93 -4.94 118.33 113.28 1h3o n VAL 70 Ca 0.12 -0.38 0.04 0.00 -0.01 0.00 0.00 64.34 64.11 1h3o n VAL 70 Cb 0.06 -0.94 -0.00 0.00 -0.91 0.00 0.00 33.84 32.05 1h3o n VAL 70 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1h3o s ASP 71 N -5.18 -1.53 0.21 4.52 3.68 -0.78 -5.07 116.67 112.51 1h3o s ASP 71 Ca -0.16 -0.00 -0.09 0.00 2.13 0.00 0.00 52.55 54.42 1h3o s ASP 71 Cb 0.05 1.96 0.27 0.00 -1.45 0.00 0.00 42.92 43.75 1h3o s ASP 71 CO 0.39 -0.26 1.75 1.55 0.13 0.00 0.00 175.17 178.73 1h3o h PRO 72 N 7.74 0.42 -0.20 4.34 0.13 -1.53 -2.10 132.00 140.79 1h3o h PRO 72 Ca -0.00 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 65.04 1h3o h PRO 72 Cb 1.19 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1h3o h PRO 72 CO 0.12 0.28 -0.15 -0.91 -0.23 0.00 0.00 178.00 177.11 1h3o h ASN 73 N 0.43 0.32 -3.02 1.44 2.35 -1.95 -3.44 115.58 111.71 1h3o h ASN 73 Ca 0.30 -0.08 -0.53 0.00 -0.55 0.00 0.00 56.30 55.45 1h3o h ASN 73 Cb 0.36 -0.09 0.04 0.00 0.05 0.00 0.00 38.32 38.69 1h3o h ASN 73 CO -0.29 0.50 0.81 -0.70 -1.65 0.00 0.00 177.43 176.09 1h3o s GLU 74 N -4.68 4.26 -0.12 0.81 2.12 -0.79 -5.02 118.70 115.27 1h3o s GLU 74 Ca -0.06 2.27 -0.03 0.00 0.36 0.00 0.00 54.97 57.51 1h3o s GLU 74 Cb 0.15 -3.17 0.04 0.00 0.26 0.00 0.00 34.13 31.42 1h3o s GLU 74 CO 0.75 -0.51 0.05 -1.14 -0.54 0.00 0.00 175.26 173.87 1h3o s GLN 75 N 0.72 0.33 0.54 4.30 2.00 -1.26 -4.71 119.66 121.59 1h3o s GLN 75 Ca 0.66 -0.02 -0.18 0.00 -2.00 0.00 0.00 55.36 53.82 1h3o s GLN 75 Cb -0.41 -1.39 -0.06 0.00 0.80 0.00 0.00 33.01 31.95 1h3o s GLN 75 CO 0.34 -0.49 1.04 -0.51 -0.50 0.00 0.00 175.29 175.17 1h3o s LEU 76 N 2.03 3.65 0.26 3.68 1.02 -1.26 -5.02 118.68 123.03 1h3o s LEU 76 Ca 0.03 1.82 -0.29 0.00 0.02 0.00 0.00 54.13 55.71 1h3o s LEU 76 Cb -0.14 -4.54 -0.09 0.00 0.02 0.00 0.00 46.19 41.43 1h3o s LEU 76 CO -0.06 -0.94 1.16 -0.62 0.02 0.00 0.00 176.35 175.90 1h3o s ASP 77 N -2.52 7.14 0.35 2.29 -1.08 -1.26 -4.87 116.67 116.71 1h3o s ASP 77 Ca 0.64 2.32 0.15 0.00 -0.52 0.00 0.00 52.55 55.14 1h3o s ASP 77 Cb -0.15 -2.62 1.13 0.00 -1.46 0.00 0.00 42.92 39.81 1h3o s ASP 77 CO 0.30 -0.27 1.61 -0.08 0.52 0.00 0.00 175.17 177.25 1h3o h GLU 78 N 4.19 0.13 -0.83 4.34 4.81 -2.00 0.17 114.58 125.40 1h3o h GLU 78 Ca -0.46 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 58.77 1h3o h GLU 78 Cb 1.21 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.52 1h3o h GLU 78 CO 0.69 0.09 0.55 -0.44 -0.73 0.00 0.00 179.01 179.17 1h3o h ASP 79 N 0.13 0.95 -0.15 1.04 3.32 -2.00 -1.38 116.42 118.34 1h3o h ASP 79 Ca 0.75 -0.02 -0.14 0.00 0.02 0.00 0.00 57.03 57.64 1h3o h ASP 79 Cb 1.82 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 41.13 1h3o h ASP 79 CO -0.72 0.69 -0.38 0.58 -1.72 0.00 0.00 179.24 177.69 1h3o h VAL 80 N 1.12 1.29 -0.07 -1.35 2.07 -1.06 -3.04 116.25 115.21 1h3o h VAL 80 Ca 0.30 -1.54 0.01 0.00 0.82 0.00 0.00 66.70 66.29 1h3o h VAL 80 Cb -0.13 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1h3o h VAL 80 CO -0.07 0.50 0.01 -0.33 0.02 0.00 0.00 177.57 177.70 1h3o h GLU 81 N 0.56 0.03 -0.40 1.57 5.08 -0.89 0.06 114.58 120.60 1h3o h GLU 81 Ca 0.05 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1h3o h GLU 81 Cb 0.90 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1h3o h GLU 81 CO 0.08 0.02 0.00 -1.91 -1.00 0.00 0.00 179.01 176.20 1h3o n GLU 82 N -5.10 0.00 0.00 2.33 4.07 -0.57 -0.39 120.64 120.98 1h3o n GLU 82 Ca -0.05 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.05 1h3o n GLU 82 Cb 0.05 -0.96 0.00 0.00 -0.06 0.00 0.00 31.44 30.47 1h3o n GLU 82 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1h3o n LEU 84 N 0.49 0.00 -0.04 4.31 4.77 0.01 -0.41 117.00 126.13 1h3o n LEU 84 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.96 1h3o n LEU 84 Cb 0.00 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.31 1h3o n LEU 84 CO 0.00 0.00 0.87 -0.07 -1.33 0.00 0.00 177.39 176.86 1h3o h LEU 85 N 0.00 0.60 -0.51 2.23 3.38 -0.97 -0.60 115.31 119.44 1h3o h LEU 85 Ca 0.00 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.68 1h3o h LEU 85 Cb 0.00 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1h3o h LEU 85 CO 0.00 0.70 -0.33 -0.61 0.09 0.00 0.00 178.44 178.29 1h3o h GLN 86 N 0.58 0.86 -0.79 1.13 4.15 -0.99 -2.66 115.11 117.39 1h3o h GLN 86 Ca 0.11 -0.42 -0.02 0.00 0.77 0.00 0.00 58.65 59.10 1h3o h GLN 86 Cb 0.45 -0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.09 1h3o h GLN 86 CO 0.02 1.06 0.41 0.82 -1.93 0.00 0.00 178.83 179.21 1h3o h ILE 87 N 0.72 1.24 -0.89 2.39 1.08 -1.60 -0.65 117.51 119.80 1h3o h ILE 87 Ca 0.07 -0.63 -0.02 0.00 -0.39 0.00 0.00 64.86 63.89 1h3o h ILE 87 Cb 0.90 0.19 -0.04 0.00 -3.07 0.00 0.00 36.82 34.79 1h3o h ILE 87 CO 0.08 0.28 0.46 0.00 -0.69 0.00 0.00 178.15 178.28 1h3o h ALA 88 N 1.34 1.14 -0.46 1.87 0.00 -1.00 0.92 119.26 123.06 1h3o h ALA 88 Ca 0.28 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1h3o h ALA 88 Cb 0.06 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1h3o h ALA 88 CO -0.04 0.67 0.08 -0.44 0.00 0.00 0.00 179.25 179.52 1h3o h ASP 89 N 1.25 0.73 -0.58 0.00 3.32 -1.02 -0.40 116.42 119.72 1h3o h ASP 89 Ca 0.31 -0.25 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 1h3o h ASP 89 Cb 0.07 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1h3o h ASP 89 CO -0.05 0.80 0.19 0.44 -1.72 0.00 0.00 179.24 178.91 1h3o h ASP 90 N 0.63 0.84 0.33 6.45 3.32 -0.61 -1.76 116.42 125.62 1h3o h ASP 90 Ca 0.14 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 1h3o h ASP 90 Cb 0.37 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1h3o h ASP 90 CO 0.01 0.81 -0.16 0.15 -1.72 0.00 0.00 179.24 178.33 1h3o h PHE 91 N 0.82 -0.41 -0.90 4.55 3.57 -0.63 -0.26 116.94 123.69 1h3o h PHE 91 Ca 0.19 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.74 1h3o h PHE 91 Cb 0.27 0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.08 1h3o h PHE 91 CO 0.02 -0.21 0.56 0.82 -2.23 0.00 0.00 178.31 177.27 1h3o h ILE 92 N -0.52 1.05 -0.12 1.41 2.04 -1.05 0.21 117.51 120.52 1h3o h ILE 92 Ca -0.05 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 1h3o h ILE 92 Cb 0.39 -0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.40 1h3o h ILE 92 CO 0.07 0.19 0.00 -0.08 0.00 0.00 0.00 178.15 178.33 1h3o h GLU 93 N 1.02 0.21 -0.26 2.37 4.57 -1.13 -0.59 114.58 120.77 1h3o h GLU 93 Ca 0.39 -0.07 -0.14 0.00 -1.18 0.00 0.00 59.36 58.36 1h3o h GLU 93 Cb 0.18 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.75 1h3o h GLU 93 CO -0.18 0.45 -0.40 0.66 -1.18 0.00 0.00 179.01 178.37 1h3o h SER 94 N -0.05 0.80 0.05 1.04 4.64 -0.72 -1.83 113.55 117.48 1h3o h SER 94 Ca 0.03 -0.51 -0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1h3o h SER 94 Cb 0.35 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1h3o h SER 94 CO 0.01 1.16 -0.02 0.58 -0.87 0.00 0.00 176.83 177.69 1h3o h VAL 95 N 0.47 1.13 -0.82 0.95 2.07 -0.63 -0.39 116.25 119.04 1h3o h VAL 95 Ca 0.02 -0.57 -0.03 0.00 0.82 0.00 0.00 66.70 66.94 1h3o h VAL 95 Cb 0.99 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 32.23 1h3o h VAL 95 CO 0.09 0.14 0.38 0.58 0.02 0.00 0.00 177.57 178.79 1h3o h VAL 96 N -0.31 1.26 -0.14 2.57 2.07 -1.17 0.22 116.25 120.73 1h3o h VAL 96 Ca -0.01 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 1h3o h VAL 96 Cb 0.28 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1h3o h VAL 96 CO 0.01 0.31 0.07 0.74 0.02 0.00 0.00 177.57 178.72 1h3o h THR 97 N 1.16 1.12 -0.48 2.57 2.02 -1.27 -2.01 112.91 116.02 1h3o h THR 97 Ca 0.28 -0.34 -0.05 0.00 0.77 0.00 0.00 66.41 67.06 1h3o h THR 97 Cb 0.13 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 1h3o h THR 97 CO -0.03 0.11 0.09 0.00 0.37 0.00 0.00 175.52 176.06 1h3o h ALA 98 N 0.94 0.64 -0.92 6.16 0.00 -0.69 -2.49 119.26 122.90 1h3o h ALA 98 Ca 0.05 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 54.83 1h3o h ALA 98 Cb 0.11 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.65 1h3o h ALA 98 CO -0.01 0.35 0.59 0.00 0.00 0.00 0.00 179.25 180.19 1h3o h ALA 99 N 0.97 1.57 -0.38 0.00 0.00 -0.47 -0.26 119.26 120.69 1h3o h ALA 99 Ca 0.15 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1h3o h ALA 99 Cb 0.37 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1h3o h ALA 99 CO 0.01 0.26 0.01 0.00 0.00 0.00 0.00 179.25 179.52 1h3o h GLN 101 N 0.57 1.04 0.31 0.00 7.50 -0.71 -0.98 115.11 122.84 1h3o h GLN 101 Ca 0.12 -0.18 -0.02 0.00 0.50 0.00 0.00 58.65 59.07 1h3o h GLN 101 Cb 0.35 -0.17 0.00 0.00 0.05 0.00 0.00 27.48 27.71 1h3o h GLN 101 CO 0.01 0.85 -0.15 -0.07 -1.50 0.00 0.00 178.83 177.98 1h3o h LEU 102 N 1.01 -0.35 -1.12 1.46 4.07 -0.59 -0.19 115.31 119.61 1h3o h LEU 102 Ca 0.23 -0.19 0.20 0.00 0.08 0.00 0.00 57.88 58.21 1h3o h LEU 102 Cb 0.21 0.09 -0.10 0.00 1.08 0.00 0.00 40.66 41.94 1h3o h LEU 102 CO -0.02 0.06 0.62 0.00 -1.08 0.00 0.00 178.44 178.01 1h3o h ALA 103 N -0.34 1.82 -0.07 1.53 0.00 -0.74 0.25 119.26 121.71 1h3o h ALA 103 Ca -0.04 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1h3o h ALA 103 Cb 0.52 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1h3o h ALA 103 CO 0.07 -0.19 0.01 0.00 0.00 0.00 0.00 179.25 179.14 1h3o h ARG 104 N 0.66 0.11 -0.82 0.00 2.47 -1.08 -0.85 114.38 114.87 1h3o h ARG 104 Ca 0.57 -0.03 0.20 0.00 -1.26 0.00 0.00 59.98 59.46 1h3o h ARG 104 Cb 1.02 -0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 29.28 1h3o h ARG 104 CO -0.35 0.35 0.56 1.25 0.56 0.00 0.00 179.97 182.34 1h3o h HIS 105 N -0.14 0.32 -0.46 3.04 2.76 0.13 0.85 115.15 121.66 1h3o h HIS 105 Ca 0.02 0.01 -0.20 0.00 -2.20 0.00 0.00 60.37 58.00 1h3o h HIS 105 Cb 0.29 -0.10 -0.12 0.00 1.55 0.00 0.00 27.41 29.03 1h3o h HIS 105 CO 0.02 0.10 0.25 2.89 -1.30 0.00 0.00 177.93 179.88 1h3o n ARG 106 N -4.43 2.04 -3.61 5.26 1.85 -0.46 -4.87 116.66 112.45 1h3o n ARG 106 Ca 0.17 -1.60 -0.27 0.00 -1.00 0.00 0.00 57.85 55.16 1h3o n ARG 106 Cb 0.72 -1.70 -0.01 0.00 -1.05 0.00 0.00 32.46 30.42 1h3o n ARG 106 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1h3o n LYS 107 N -0.17 -3.37 -3.62 2.89 5.02 0.30 -4.96 118.16 114.24 1h3o n LYS 107 Ca 0.27 0.43 -0.21 0.00 -2.02 0.00 0.00 58.31 56.78 1h3o n LYS 107 Cb 1.01 -5.15 -0.03 0.00 -0.02 0.00 0.00 35.03 30.84 1h3o n LYS 107 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1h3o s SER 108 N -2.88 5.02 -0.00 4.39 0.15 -0.34 -5.02 113.70 115.03 1h3o s SER 108 Ca 0.50 -0.75 0.01 0.00 0.70 0.00 0.00 55.95 56.41 1h3o s SER 108 Cb -0.27 -0.59 -0.02 0.00 -1.71 0.00 0.00 66.02 63.43 1h3o s SER 108 CO 0.62 -0.62 0.05 -0.24 1.20 0.00 0.00 173.24 174.24 1h3o n SER 109 N -1.52 0.85 -4.59 5.45 2.88 -1.26 -4.24 113.62 111.19 1h3o n SER 109 Ca 0.03 -0.44 -0.33 0.00 -1.33 0.00 0.00 58.87 56.79 1h3o n SER 109 Cb 0.62 1.01 -0.11 0.00 -0.75 0.00 0.00 64.21 64.98 1h3o n SER 109 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1h3o s THR 110 N -1.29 3.70 -0.10 2.46 2.01 -1.26 -5.08 115.64 116.08 1h3o s THR 110 Ca 0.00 -0.57 -0.20 0.00 0.31 0.00 0.00 61.69 61.23 1h3o s THR 110 Cb 0.01 -2.54 -0.04 0.00 0.01 0.00 0.00 72.50 69.94 1h3o s THR 110 CO 0.06 0.53 0.56 -0.22 -0.69 0.00 0.00 174.62 174.86 1h3o s LEU 111 N -1.01 4.28 0.12 4.42 1.98 -1.26 -4.88 118.68 122.34 1h3o s LEU 111 Ca 0.14 0.94 0.05 0.00 -2.89 0.00 0.00 54.13 52.37 1h3o s LEU 111 Cb -0.11 -2.83 -0.04 0.00 0.66 0.00 0.00 46.19 43.87 1h3o s LEU 111 CO 0.03 -0.05 -0.13 -1.61 -1.89 0.00 0.00 176.35 172.71 1h3o s GLU 112 N 0.73 1.00 0.29 1.98 2.02 -1.26 -5.04 118.70 118.42 1h3o s GLU 112 Ca 0.30 -1.26 -0.01 0.00 0.02 0.00 0.00 54.97 54.02 1h3o s GLU 112 Cb -0.16 -0.79 0.65 0.00 0.10 0.00 0.00 34.13 33.93 1h3o s GLU 112 CO 0.13 0.14 1.59 0.28 0.02 0.00 0.00 175.26 177.42 1h3o h VAL 113 N 3.39 0.13 -0.94 2.63 2.07 -2.00 0.37 116.25 121.90 1h3o h VAL 113 Ca -0.39 -0.02 0.21 0.00 0.82 0.00 0.00 66.70 67.33 1h3o h VAL 113 Cb 1.19 0.07 -0.12 0.00 -1.52 0.00 0.00 31.29 30.92 1h3o h VAL 113 CO 0.53 0.01 0.50 0.07 0.02 0.00 0.00 177.57 178.71 1h3o h LYS 114 N 0.05 0.54 0.24 1.57 2.10 -1.98 0.22 116.57 119.32 1h3o h LYS 114 Ca 0.54 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 59.15 1h3o h LYS 114 Cb 1.06 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 1h3o h LYS 114 CO -0.84 0.36 -0.12 -0.44 -2.00 0.00 0.00 179.45 176.41 1h3o h ASP 115 N 0.55 -0.28 -0.48 7.07 3.32 -0.59 -1.19 116.42 124.82 1h3o h ASP 115 Ca 0.58 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.50 1h3o h ASP 115 Cb 1.03 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.63 1h3o h ASP 115 CO -0.46 -0.05 0.22 0.58 -1.72 0.00 0.00 179.24 177.80 1h3o h VAL 116 N -0.49 1.20 -0.59 -1.35 2.07 -1.21 -2.71 116.25 113.17 1h3o h VAL 116 Ca -0.03 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 1h3o h VAL 116 Cb 0.37 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1h3o h VAL 116 CO 0.05 0.22 0.31 -0.61 0.02 0.00 0.00 177.57 177.57 1h3o h GLN 117 N 0.64 0.81 -0.07 1.57 4.15 -0.56 -0.27 115.11 121.38 1h3o h GLN 117 Ca 0.16 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 1h3o h GLN 117 Cb 0.15 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 27.67 1h3o h GLN 117 CO -0.02 0.61 0.01 1.25 -1.93 0.00 0.00 178.83 178.75 1h3o h LEU 118 N 0.82 0.11 -0.55 -2.39 5.85 -0.95 -0.82 115.31 117.37 1h3o h LEU 118 Ca 0.21 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 1h3o h LEU 118 Cb 0.04 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1h3o h LEU 118 CO -0.03 0.33 0.29 -0.74 -0.34 0.00 0.00 178.44 177.95 1h3o h HIS 119 N -0.12 0.78 -0.44 1.25 2.76 -1.24 0.75 115.15 118.89 1h3o h HIS 119 Ca 0.02 -0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.20 1h3o h HIS 119 Cb 0.27 -0.25 -0.04 0.00 1.55 0.00 0.00 27.41 28.95 1h3o h HIS 119 CO 0.01 0.59 0.21 -0.07 -1.30 0.00 0.00 177.93 177.37 1h3o h LEU 120 N 0.75 0.30 -0.44 0.26 3.38 -0.93 0.47 115.31 119.10 1h3o h LEU 120 Ca 0.19 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.07 1h3o h LEU 120 Cb 0.08 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1h3o h LEU 120 CO -0.03 0.22 -0.20 -0.33 0.09 0.00 0.00 178.44 178.18 1h3o h GLU 121 N 0.43 0.91 -0.01 1.13 5.08 -0.88 0.35 114.58 121.59 1h3o h GLU 121 Ca 0.19 -0.39 -0.09 0.00 -1.00 0.00 0.00 59.36 58.07 1h3o h GLU 121 Cb 0.11 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.34 1h3o h GLU 121 CO -0.14 1.05 -0.35 0.00 -1.00 0.00 0.00 179.01 178.57 1h3o h ARG 122 N 0.74 0.25 0.00 2.33 3.08 -0.40 -2.64 114.38 117.74 1h3o h ARG 122 Ca 0.10 -0.26 -0.19 0.00 0.07 0.00 0.00 59.98 59.70 1h3o h ARG 122 Cb 0.77 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.86 1h3o h ARG 122 CO 0.06 0.96 -1.92 1.04 -1.07 0.00 0.00 179.97 179.04 1h3o n GLN 123 N -4.42 0.66 -0.00 0.04 1.13 0.16 -4.49 117.38 110.45 1h3o n GLN 123 Ca -0.10 0.02 0.06 0.00 -1.94 0.00 0.00 57.00 55.04 1h3o n GLN 123 Cb 0.55 -1.63 -0.09 0.00 0.11 0.00 0.00 30.24 29.18 1h3o n GLN 123 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53 1h3o n TRP 124 N -2.66 0.00 -2.50 1.08 7.02 -0.67 -5.06 117.44 114.64 1h3o n TRP 124 Ca -0.16 0.00 -0.05 0.00 -1.02 0.00 0.00 57.50 56.26 1h3o n TRP 124 Cb 0.88 -0.22 -0.04 0.00 -2.42 0.00 0.00 31.31 29.50 1h3o n TRP 124 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 1h3o n ASN 125 N -1.80 -0.46 -2.66 -0.99 2.85 0.11 -4.96 115.26 107.36 1h3o n ASN 125 Ca -0.01 1.24 0.01 0.00 -0.11 0.00 0.00 54.58 55.71 1h3o n ASN 125 Cb 0.28 -4.94 0.01 0.00 1.24 0.00 0.00 39.78 36.38 1h3o n ASN 125 CO 0.00 0.00 0.00 0.26 -2.11 0.00 0.00 177.26 175.41 1h3o s TRP 127 N -0.63 -0.03 -0.55 1.20 0.52 -1.26 -4.93 118.94 113.26 1h3o s TRP 127 Ca -0.27 0.00 0.04 0.00 0.02 0.00 0.00 56.10 55.90 1h3o s TRP 127 Cb 0.02 0.01 0.03 0.00 -1.15 0.00 0.00 33.47 32.38 1h3o s TRP 127 CO 0.74 -0.02 0.64 0.44 0.02 0.00 0.00 176.95 178.76