#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1h s ILE 69 N 0.00 3.83 0.19 -0.18 -5.25 -1.26 -1.15 121.20 117.39 1s1h s ILE 69 Ca 0.00 -0.40 0.05 0.00 -0.99 0.00 0.00 60.65 59.31 1s1h s ILE 69 Cb 0.00 -2.64 -0.05 0.00 2.95 0.00 0.00 42.46 42.72 1s1h s ILE 69 CO 0.00 0.54 -0.08 -0.76 -1.79 0.00 0.00 174.94 172.85 1s1h s LEU 70 N -0.09 2.44 0.03 0.37 1.43 0.84 -4.92 118.68 118.78 1s1h s LEU 70 Ca 0.02 -1.09 0.07 0.00 -1.03 0.00 0.00 54.13 52.10 1s1h s LEU 70 Cb -0.13 -0.42 -0.02 0.00 0.03 0.00 0.00 46.19 45.64 1s1h s LEU 70 CO 0.03 -0.35 -0.21 -0.89 0.23 0.00 0.00 176.35 175.16 1s1h s THR 71 N -3.25 1.66 0.06 5.49 2.01 -1.26 0.92 115.64 121.27 1s1h s THR 71 Ca 0.22 -1.12 -0.07 0.00 0.31 0.00 0.00 61.69 61.03 1s1h s THR 71 Cb 0.03 -1.42 0.03 0.00 0.01 0.00 0.00 72.50 71.14 1s1h s THR 71 CO 0.05 0.27 0.36 0.61 -0.69 0.00 0.00 174.62 175.22 1s1h n GLY 72 N 2.04 1.06 3.42 4.40 0.00 -0.80 -4.21 105.19 111.09 1s1h n GLY 72 Ca -0.17 -1.00 -0.28 0.00 0.00 0.00 0.00 46.02 44.58 1s1h n GLY 72 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s1h s THR 73 N -2.40 2.38 -0.69 2.61 -4.23 -0.99 -1.37 115.64 110.95 1s1h s THR 73 Ca 0.08 -1.87 -0.24 0.00 -1.18 0.00 0.00 61.69 58.47 1s1h s THR 73 Cb -0.01 -2.11 0.06 0.00 1.34 0.00 0.00 72.50 71.78 1s1h s THR 73 CO 0.02 -0.02 1.09 -0.69 -0.54 0.00 0.00 174.62 174.48 1s1h s VAL 74 N -1.39 4.09 0.13 2.29 1.01 -0.45 0.75 120.40 126.82 1s1h s VAL 74 Ca 0.18 -0.07 -0.04 0.00 0.00 0.00 0.00 61.98 62.04 1s1h s VAL 74 Cb -0.09 -4.78 -0.18 0.00 0.00 0.00 0.00 36.38 31.33 1s1h s VAL 74 CO 0.09 -1.62 1.30 -0.37 0.00 0.00 0.00 175.10 174.50 1s1h h VAL 75 N 6.00 1.40 -3.37 2.92 -1.51 -1.17 -2.46 116.25 118.07 1s1h h VAL 75 Ca -0.28 -2.46 -0.27 0.00 -1.23 0.00 0.00 66.70 62.45 1s1h h VAL 75 Cb 1.06 2.43 -0.33 0.00 -2.13 0.00 0.00 31.29 32.32 1s1h h VAL 75 CO 1.22 0.73 -0.66 -0.55 -1.23 0.00 0.00 177.57 177.09 1s1h s SER 76 N -7.08 0.02 0.03 4.19 0.15 -1.17 -4.91 113.70 104.93 1s1h s SER 76 Ca -0.06 0.18 0.24 0.00 0.70 0.00 0.00 55.95 57.02 1s1h s SER 76 Cb 0.09 0.07 0.38 0.00 -1.71 0.00 0.00 66.02 64.85 1s1h s SER 76 CO 0.87 -0.15 1.32 0.35 1.20 0.00 0.00 173.24 176.83 1s1h n THR 77 N 4.26 0.11 -0.34 6.45 -2.24 -1.26 -1.58 114.28 119.67 1s1h n THR 77 Ca -0.26 -0.10 0.04 0.00 -2.27 0.00 0.00 64.05 61.46 1s1h n THR 77 Cb 0.51 0.18 0.19 0.00 -2.10 0.00 0.00 70.33 69.10 1s1h n THR 77 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1s1h h LYS 78 N 0.00 0.96 -7.49 -0.78 1.79 -1.94 -3.44 116.57 105.67 1s1h h LYS 78 Ca 0.00 -0.06 -0.48 0.00 -2.18 0.00 0.00 60.65 57.93 1s1h h LYS 78 Cb 0.59 -0.22 0.09 0.00 -1.58 0.00 0.00 32.23 31.12 1s1h h LYS 78 CO 0.00 0.64 0.39 -1.64 -1.08 0.00 0.00 179.45 177.75 1s1h s MET 79 N -6.01 2.35 -0.13 3.15 -1.94 -1.26 -5.02 119.30 110.44 1s1h s MET 79 Ca -0.12 0.42 -0.16 0.00 -1.71 0.00 0.00 55.69 54.12 1s1h s MET 79 Cb 0.20 -1.97 -0.04 0.00 2.01 0.00 0.00 34.83 35.03 1s1h s MET 79 CO 0.80 -1.38 0.38 -1.01 -0.01 0.00 0.00 175.02 173.80 1s1h s HIS 80 N -3.35 3.50 0.00 -0.03 3.76 -1.26 -4.05 115.29 113.86 1s1h s HIS 80 Ca 0.60 0.75 0.00 0.00 -0.15 0.00 0.00 55.06 56.26 1s1h s HIS 80 Cb -0.12 -2.43 0.00 0.00 1.11 0.00 0.00 32.58 31.14 1s1h s HIS 80 CO 0.52 0.24 0.00 -2.13 -0.85 0.00 0.00 174.74 172.51 1s1h n ARG 81 N 3.50 -1.10 -4.09 1.40 0.63 -1.25 -4.91 116.66 110.83 1s1h n ARG 81 Ca -0.10 0.28 -0.11 0.00 -0.92 0.00 0.00 57.85 56.99 1s1h n ARG 81 Cb 0.52 -4.38 -0.11 0.00 0.45 0.00 0.00 32.46 28.94 1s1h n ARG 81 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1s1h s THR 82 N -1.37 0.51 0.04 5.15 -4.23 -1.26 0.80 115.64 115.27 1s1h s THR 82 Ca 0.00 -1.39 0.02 0.00 -1.18 0.00 0.00 61.69 59.14 1s1h s THR 82 Cb 0.00 -0.98 -0.02 0.00 1.34 0.00 0.00 72.50 72.84 1s1h s THR 82 CO 0.00 -0.60 -0.07 -0.51 -0.54 0.00 0.00 174.62 172.89 1s1h s ILE 83 N -2.31 0.51 -0.26 2.99 1.10 0.23 -4.26 121.20 119.20 1s1h s ILE 83 Ca -0.02 -1.02 -0.07 0.00 -0.51 0.00 0.00 60.65 59.02 1s1h s ILE 83 Cb -0.04 -0.57 -0.02 0.00 0.15 0.00 0.00 42.46 41.98 1s1h s ILE 83 CO -0.02 -0.36 0.08 0.54 -2.11 0.00 0.00 174.94 173.06 1s1h s VAL 84 N -1.31 4.25 -0.13 4.00 0.11 -0.62 0.19 120.40 126.89 1s1h s VAL 84 Ca -0.10 -0.28 -0.03 0.00 -2.93 0.00 0.00 61.98 58.65 1s1h s VAL 84 Cb -0.10 -3.03 -0.03 0.00 -1.53 0.00 0.00 36.38 31.69 1s1h s VAL 84 CO 0.00 0.28 -0.04 0.27 -3.33 0.00 0.00 175.10 172.28 1s1h s ILE 85 N 1.59 3.86 -0.45 7.04 -4.36 0.28 -0.55 121.20 128.61 1s1h s ILE 85 Ca 0.06 -0.38 -0.14 0.00 -0.26 0.00 0.00 60.65 59.93 1s1h s ILE 85 Cb -0.16 -2.66 0.07 0.00 1.25 0.00 0.00 42.46 40.96 1s1h s ILE 85 CO 0.03 0.52 0.34 -0.60 0.24 0.00 0.00 174.94 175.48 1s1h s ARG 86 N 0.03 2.88 0.01 0.37 3.52 0.23 -0.26 118.95 125.73 1s1h s ARG 86 Ca 0.00 -1.33 -0.16 0.00 -0.13 0.00 0.00 55.73 54.12 1s1h s ARG 86 Cb -0.13 -4.01 -0.06 0.00 -1.56 0.00 0.00 34.95 29.19 1s1h s ARG 86 CO 0.03 -0.96 0.44 -0.98 -0.81 0.00 0.00 175.30 173.01 1s1h s ARG 87 N 1.59 3.97 -0.05 5.12 1.04 -0.05 -2.36 118.95 128.22 1s1h s ARG 87 Ca 0.04 0.47 0.02 0.00 -1.04 0.00 0.00 55.73 55.22 1s1h s ARG 87 Cb -0.23 -3.23 -0.03 0.00 -2.04 0.00 0.00 34.95 29.42 1s1h s ARG 87 CO 0.06 0.68 -0.08 0.00 -0.04 0.00 0.00 175.30 175.92 1s1h s ALA 88 N -1.06 2.95 0.01 7.88 0.00 -1.26 -1.59 121.76 128.69 1s1h s ALA 88 Ca 0.25 -0.94 -0.03 0.00 0.00 0.00 0.00 51.96 51.24 1s1h s ALA 88 Cb -0.17 -1.17 -0.01 0.00 0.00 0.00 0.00 23.12 21.77 1s1h s ALA 88 CO 0.14 0.58 0.04 1.52 0.00 0.00 0.00 175.76 178.05 1s1h s TYR 89 N -0.85 0.14 0.14 0.00 1.13 -0.65 -5.00 117.35 112.27 1s1h s TYR 89 Ca 0.13 -0.30 0.10 0.00 -1.41 0.00 0.00 57.07 55.59 1s1h s TYR 89 Cb -0.11 -0.11 -0.04 0.00 -1.10 0.00 0.00 41.96 40.60 1s1h s TYR 89 CO 0.03 -0.21 -0.23 -0.51 -2.51 0.00 0.00 175.55 172.12 1s1h s LEU 90 N -1.24 2.35 -0.01 -3.49 2.01 -1.26 -1.59 118.68 115.45 1s1h s LEU 90 Ca -0.14 -0.77 -0.30 0.00 0.01 0.00 0.00 54.13 52.94 1s1h s LEU 90 Cb -0.08 -1.04 0.11 0.00 0.01 0.00 0.00 46.19 45.18 1s1h s LEU 90 CO 0.00 0.10 1.10 -1.38 1.01 0.00 0.00 176.35 177.18 1s1h s HIS 91 N -1.35 -0.15 -0.08 0.29 -3.43 -0.82 -5.01 115.29 104.75 1s1h s HIS 91 Ca 0.13 -0.00 -0.22 0.00 -0.80 0.00 0.00 55.06 54.16 1s1h s HIS 91 Cb -0.09 0.56 -0.04 0.00 -1.43 0.00 0.00 32.58 31.59 1s1h s HIS 91 CO 0.06 -0.46 0.65 1.52 -2.00 0.00 0.00 174.74 174.51 1s1h s TYR 92 N -2.79 3.55 0.01 0.38 1.13 -1.26 -1.42 117.35 116.95 1s1h s TYR 92 Ca 0.11 1.16 -0.25 0.00 -1.41 0.00 0.00 57.07 56.67 1s1h s TYR 92 Cb 0.01 -2.76 -0.05 0.00 -1.10 0.00 0.00 41.96 38.07 1s1h s TYR 92 CO -0.03 0.09 0.78 0.96 -2.51 0.00 0.00 175.55 174.84 1s1h s ILE 93 N 0.84 4.83 0.21 -3.49 -4.36 -0.48 -4.89 121.20 113.86 1s1h s ILE 93 Ca 0.35 1.65 -0.10 0.00 -0.26 0.00 0.00 60.65 62.29 1s1h s ILE 93 Cb -0.17 -4.13 0.18 0.00 1.25 0.00 0.00 42.46 39.59 1s1h s ILE 93 CO 0.16 0.30 1.69 1.55 0.24 0.00 0.00 174.94 178.88 1s1h h PRO 94 N 6.14 0.19 0.24 0.37 0.13 -1.94 0.77 132.00 137.90 1s1h h PRO 94 Ca -0.43 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 1s1h h PRO 94 Cb 1.21 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1s1h h PRO 94 CO 0.73 0.13 -0.11 0.87 -0.23 0.00 0.00 178.00 179.38 1s1h h LYS 95 N 0.20 -0.31 -0.02 0.86 1.57 -1.98 -3.37 116.57 113.52 1s1h h LYS 95 Ca 0.32 0.02 -0.20 0.00 -1.87 0.00 0.00 60.65 58.92 1s1h h LYS 95 Cb 0.50 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1s1h h LYS 95 CO -0.45 -0.21 -0.84 1.88 -0.57 0.00 0.00 179.45 179.26 1s1h h TYR 96 N -0.60 0.42 0.00 -1.35 0.05 -1.98 -3.46 116.97 110.05 1s1h h TYR 96 Ca -0.03 -0.22 0.00 0.00 0.05 0.00 0.00 58.73 58.53 1s1h h TYR 96 Cb 0.25 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 37.93 1s1h h TYR 96 CO 0.05 1.01 0.00 0.09 -1.05 0.00 0.00 178.16 178.26 1s1h n ASN 97 N -3.74 -2.02 -4.76 3.88 3.02 0.27 -4.95 115.26 106.96 1s1h n ASN 97 Ca -0.04 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.16 1s1h n ASN 97 Cb 0.78 -1.04 0.04 0.00 -0.61 0.00 0.00 39.78 38.95 1s1h n ASN 97 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1s1h s ARG 98 N -0.43 2.82 -0.41 3.52 3.52 -1.26 -4.27 118.95 122.44 1s1h s ARG 98 Ca 0.00 1.62 -0.20 0.00 -0.13 0.00 0.00 55.73 57.02 1s1h s ARG 98 Cb 0.00 -1.93 0.02 0.00 -1.56 0.00 0.00 34.95 31.47 1s1h s ARG 98 CO 0.00 -1.28 0.62 -0.47 -0.81 0.00 0.00 175.30 173.37 1s1h s TYR 99 N -1.96 3.10 0.06 5.12 5.04 -1.26 -1.38 117.35 126.07 1s1h s TYR 99 Ca 0.72 0.05 0.06 0.00 -2.44 0.00 0.00 57.07 55.46 1s1h s TYR 99 Cb -0.25 -3.25 -0.04 0.00 0.35 0.00 0.00 41.96 38.77 1s1h s TYR 99 CO 0.37 -0.78 -0.10 -1.21 -1.34 0.00 0.00 175.55 172.49 1s1h s GLU 100 N 2.74 2.28 -0.07 4.97 0.41 -0.51 -4.92 118.70 123.61 1s1h s GLU 100 Ca 0.22 -0.91 0.05 0.00 -0.41 0.00 0.00 54.97 53.92 1s1h s GLU 100 Cb -0.14 -2.36 -0.00 0.00 -1.78 0.00 0.00 34.13 29.84 1s1h s GLU 100 CO 0.17 0.55 -0.22 -1.59 -0.49 0.00 0.00 175.26 173.68 1s1h s LYS 101 N -1.82 2.56 0.05 1.61 -2.85 -1.26 -1.94 119.74 116.09 1s1h s LYS 101 Ca 0.19 -0.81 -0.05 0.00 -1.00 0.00 0.00 55.97 54.31 1s1h s LYS 101 Cb -0.11 -2.06 -0.02 0.00 -2.06 0.00 0.00 37.83 33.59 1s1h s LYS 101 CO 0.10 0.25 0.08 1.03 0.10 0.00 0.00 175.35 176.91 1s1h s ARG 102 N 0.14 0.65 0.16 1.78 0.52 -0.62 -5.02 118.95 116.56 1s1h s ARG 102 Ca -0.11 -0.94 0.07 0.00 -0.52 0.00 0.00 55.73 54.24 1s1h s ARG 102 Cb -0.15 0.25 -0.04 0.00 0.52 0.00 0.00 34.95 35.52 1s1h s ARG 102 CO 0.06 -0.16 -0.15 -3.38 0.02 0.00 0.00 175.30 171.68 1s1h s HIS 103 N -3.26 1.60 0.08 -0.53 -3.43 -1.26 -1.63 115.29 106.86 1s1h s HIS 103 Ca 0.01 -0.55 0.02 0.00 -0.80 0.00 0.00 55.06 53.74 1s1h s HIS 103 Cb 0.03 -0.80 -0.03 0.00 -1.43 0.00 0.00 32.58 30.34 1s1h s HIS 103 CO -0.08 0.25 -0.07 -1.59 -2.00 0.00 0.00 174.74 171.25 1s1h s LYS 104 N -3.02 0.72 -0.13 -0.38 -2.85 -0.62 -5.00 119.74 108.46 1s1h s LYS 104 Ca 0.15 -1.09 -0.03 0.00 -1.00 0.00 0.00 55.97 54.00 1s1h s LYS 104 Cb -0.04 -0.27 -0.03 0.00 -2.06 0.00 0.00 37.83 35.43 1s1h s LYS 104 CO 0.05 0.02 -0.02 -0.80 0.10 0.00 0.00 175.35 174.70 1s1h s ASN 105 N -2.41 4.98 -0.03 0.03 -0.87 -1.26 -0.87 114.94 114.51 1s1h s ASN 105 Ca 0.03 -0.02 0.05 0.00 -1.57 0.00 0.00 52.86 51.35 1s1h s ASN 105 Cb -0.01 -1.63 -0.01 0.00 -0.02 0.00 0.00 41.25 39.58 1s1h s ASN 105 CO -0.02 0.26 -0.17 -0.69 -2.57 0.00 0.00 177.10 173.90 1s1h s VAL 106 N -0.15 1.41 0.00 1.60 1.01 0.64 -4.94 120.40 119.98 1s1h s VAL 106 Ca 0.04 -0.72 -0.30 0.00 0.00 0.00 0.00 61.98 60.99 1s1h s VAL 106 Cb -0.13 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 1s1h s VAL 106 CO 0.02 0.40 0.97 -2.84 0.00 0.00 0.00 175.10 173.66 1s1h s PRO 107 N -0.10 4.56 0.05 2.72 0.02 -1.26 -0.55 135.00 140.43 1s1h s PRO 107 Ca -0.00 1.41 0.09 0.00 0.02 0.00 0.00 61.00 62.52 1s1h s PRO 107 Cb -0.10 -3.46 -0.03 0.00 0.02 0.00 0.00 34.50 30.93 1s1h s PRO 107 CO 0.01 -0.04 -0.25 0.08 -0.33 0.00 0.00 177.00 176.47 1s1h s VAL 108 N 0.97 2.01 -0.02 3.83 1.01 0.13 -4.07 120.40 124.26 1s1h s VAL 108 Ca 0.52 -1.35 -0.30 0.00 0.00 0.00 0.00 61.98 60.84 1s1h s VAL 108 Cb -0.21 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 1s1h s VAL 108 CO 0.28 0.31 1.11 -2.28 0.00 0.00 0.00 175.10 174.52 1s1h s HIS 109 N -0.82 3.42 -0.29 5.22 2.46 0.12 -0.60 115.29 124.80 1s1h s HIS 109 Ca 0.11 1.41 0.01 0.00 0.47 0.00 0.00 55.06 57.06 1s1h s HIS 109 Cb -0.10 -3.31 0.08 0.00 -0.13 0.00 0.00 32.58 29.13 1s1h s HIS 109 CO 0.02 -0.81 0.02 0.54 -2.47 0.00 0.00 174.74 172.05 1s1h s VAL 110 N 1.63 1.55 -0.04 0.89 0.11 0.24 -3.00 120.40 121.78 1s1h s VAL 110 Ca 0.54 -1.61 -0.24 0.00 -2.93 0.00 0.00 61.98 57.74 1s1h s VAL 110 Cb -0.24 -2.02 -0.19 0.00 -1.53 0.00 0.00 36.38 32.41 1s1h s VAL 110 CO 0.24 -0.43 1.07 0.28 -3.33 0.00 0.00 175.10 172.93 1s1h h SER 111 N 7.89 -0.11 0.66 3.54 0.02 -1.95 -3.22 113.55 120.38 1s1h h SER 111 Ca -0.12 -0.44 -0.01 0.00 -0.84 0.00 0.00 61.79 60.38 1s1h h SER 111 Cb 1.04 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.61 1s1h h SER 111 CO 0.46 0.43 -0.06 -0.65 -1.14 0.00 0.00 176.83 175.87 1s1h h PRO 112 N -0.70 0.00 -0.40 3.45 0.11 -1.95 -3.45 132.00 129.05 1s1h h PRO 112 Ca -0.01 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.92 1s1h h PRO 112 Cb 0.54 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.59 1s1h h PRO 112 CO 0.02 0.06 -0.16 0.00 -0.21 0.00 0.00 178.00 177.72 1s1h n ALA 113 N -2.15 -0.13 -0.11 -0.75 0.00 -1.22 -4.52 120.51 111.64 1s1h n ALA 113 Ca -0.01 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1s1h n ALA 113 Cb 0.26 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.23 1s1h n ALA 113 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1s1h n PHE 114 N -2.35 0.00 0.12 0.00 7.35 -1.26 -4.82 117.46 116.49 1s1h n PHE 114 Ca -0.08 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.47 1s1h n PHE 114 Cb 0.48 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 40.23 1s1h n PHE 114 CO 0.00 0.00 0.00 -0.09 -0.76 0.00 0.00 176.76 175.91 1s1h h ARG 115 N 0.00 -0.24 -5.59 -4.13 9.65 -1.93 -3.42 114.38 108.72 1s1h h ARG 115 Ca 0.00 0.02 -0.61 0.00 -1.10 0.00 0.00 59.98 58.28 1s1h h ARG 115 Cb 0.05 0.05 -0.31 0.00 -1.39 0.00 0.00 29.97 28.38 1s1h h ARG 115 CO 0.00 -0.04 -0.86 0.54 2.80 0.00 0.00 179.97 182.41 1s1h s VAL 116 N -5.54 1.67 0.39 0.20 0.11 -1.26 -5.08 120.40 110.89 1s1h s VAL 116 Ca -0.15 -0.85 0.08 0.00 -2.93 0.00 0.00 61.98 58.13 1s1h s VAL 116 Cb 0.04 -1.43 -0.04 0.00 -1.53 0.00 0.00 36.38 33.42 1s1h s VAL 116 CO 0.63 0.47 0.19 -1.10 -3.33 0.00 0.00 175.10 171.97 1s1h s GLN 117 N -0.05 2.32 0.38 1.54 -0.21 -1.26 -4.97 119.66 117.40 1s1h s GLN 117 Ca -0.04 -1.69 -0.27 0.00 0.02 0.00 0.00 55.36 53.38 1s1h s GLN 117 Cb -0.12 -2.11 -0.09 0.00 1.00 0.00 0.00 33.01 31.69 1s1h s GLN 117 CO 0.03 -0.04 1.30 0.54 -2.12 0.00 0.00 175.29 175.00 1s1h s VAL 118 N -2.52 2.67 0.00 1.09 0.11 -1.26 -2.59 120.40 117.90 1s1h s VAL 118 Ca 0.41 0.62 0.00 0.00 -2.93 0.00 0.00 61.98 60.08 1s1h s VAL 118 Cb 0.00 -3.38 0.00 0.00 -1.53 0.00 0.00 36.38 31.48 1s1h s VAL 118 CO 0.23 0.11 0.00 0.61 -3.33 0.00 0.00 175.10 172.72 1s1h n GLY 119 N 0.70 1.72 3.83 6.54 0.00 -0.93 -5.01 105.19 112.04 1s1h n GLY 119 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1s1h n GLY 119 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s1h s ASP 120 N -1.60 6.45 -0.21 1.61 1.01 -1.07 -4.77 116.67 118.09 1s1h s ASP 120 Ca 0.00 1.68 -0.08 0.00 0.71 0.00 0.00 52.55 54.86 1s1h s ASP 120 Cb 0.00 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.37 1s1h s ASP 120 CO 0.00 -0.71 0.09 -0.63 0.21 0.00 0.00 175.17 174.13 1s1h s ILE 121 N -2.45 4.80 0.19 0.77 1.09 -1.26 -1.35 121.20 122.99 1s1h s ILE 121 Ca 0.61 -0.02 0.02 0.00 -1.10 0.00 0.00 60.65 60.17 1s1h s ILE 121 Cb -0.12 -3.20 -0.05 0.00 -1.06 0.00 0.00 42.46 38.03 1s1h s ILE 121 CO 0.29 0.40 -0.00 0.68 -0.10 0.00 0.00 174.94 176.21 1s1h s VAL 122 N 0.82 0.82 -0.17 2.92 -7.23 -0.47 -0.38 120.40 116.72 1s1h s VAL 122 Ca 0.04 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.16 1s1h s VAL 122 Cb -0.13 -2.20 -0.03 0.00 0.56 0.00 0.00 36.38 34.58 1s1h s VAL 122 CO 0.02 -0.42 -0.01 0.42 -0.31 0.00 0.00 175.10 174.80 1s1h s THR 123 N -3.56 4.10 0.08 5.32 -4.23 -0.20 -1.90 115.64 115.24 1s1h s THR 123 Ca 0.26 -0.28 0.01 0.00 -1.18 0.00 0.00 61.69 60.49 1s1h s THR 123 Cb 0.06 -2.81 -0.04 0.00 1.34 0.00 0.00 72.50 71.04 1s1h s THR 123 CO 0.06 0.48 0.20 0.54 -0.54 0.00 0.00 174.62 175.35 1s1h s VAL 124 N 0.43 5.22 0.05 2.29 0.11 0.26 0.85 120.40 129.62 1s1h s VAL 124 Ca -0.02 -0.50 0.05 0.00 -2.93 0.00 0.00 61.98 58.58 1s1h s VAL 124 Cb -0.14 -3.56 -0.02 0.00 -1.53 0.00 0.00 36.38 31.12 1s1h s VAL 124 CO 0.02 0.10 -0.14 -0.83 -3.33 0.00 0.00 175.10 170.93 1s1h s GLY 125 N -2.59 0.79 0.20 6.54 0.00 -0.33 -0.11 107.32 111.82 1s1h s GLY 125 Ca 0.34 -0.86 -0.31 0.00 0.00 0.00 0.00 44.72 43.89 1s1h s GLY 125 CO 0.27 -0.84 1.51 1.62 0.00 0.00 0.00 173.10 175.66 1s1h s GLN 126 N -1.27 4.24 0.31 2.90 0.74 -0.30 -1.85 119.66 124.43 1s1h s GLN 126 Ca 0.01 2.33 0.05 0.00 0.05 0.00 0.00 55.36 57.79 1s1h s GLN 126 Cb -0.08 -3.14 -0.03 0.00 1.10 0.00 0.00 33.01 30.86 1s1h s GLN 126 CO 0.01 -0.53 0.21 0.00 -0.55 0.00 0.00 175.29 174.43 1s1h s ARG 128 N -3.68 3.22 -0.05 0.00 3.52 -1.26 -4.68 118.95 116.02 1s1h s ARG 128 Ca 0.38 1.04 -0.29 0.00 -0.13 0.00 0.00 55.73 56.72 1s1h s ARG 128 Cb 0.04 -2.03 -0.07 0.00 -1.56 0.00 0.00 34.95 31.33 1s1h s ARG 128 CO 0.21 -0.88 2.02 -2.14 -0.81 0.00 0.00 175.30 173.71 1s1h s PRO 129 N -4.59 3.82 -0.04 5.12 0.02 -1.26 -4.73 135.00 133.33 1s1h s PRO 129 Ca 0.60 2.39 -0.22 0.00 0.02 0.00 0.00 61.00 63.79 1s1h s PRO 129 Cb -0.14 -4.22 -0.30 0.00 0.02 0.00 0.00 34.50 29.86 1s1h s PRO 129 CO 0.46 -1.32 0.92 0.82 -0.33 0.00 0.00 177.00 177.55 1s1h h ILE 130 N 6.11 1.52 -4.11 2.83 2.04 -1.87 -3.49 117.51 120.53 1s1h h ILE 130 Ca -0.46 -2.46 -0.25 0.00 1.00 0.00 0.00 64.86 62.69 1s1h h ILE 130 Cb 1.23 3.13 -0.09 0.00 -0.74 0.00 0.00 36.82 40.36 1s1h h ILE 130 CO 0.95 0.70 -0.22 -0.55 0.00 0.00 0.00 178.15 179.03 1s1h s SER 131 N -6.90 0.75 0.37 1.72 0.15 -1.24 -5.07 113.70 103.48 1s1h s SER 131 Ca -0.14 -1.41 -0.26 0.00 0.70 0.00 0.00 55.95 54.84 1s1h s SER 131 Cb 0.01 0.63 -0.09 0.00 -1.71 0.00 0.00 66.02 64.86 1s1h s SER 131 CO 0.82 -1.24 1.09 -0.75 1.20 0.00 0.00 173.24 174.37 1s1h s LYS 132 N -3.27 4.24 -1.34 5.44 2.20 -1.26 -2.92 119.74 122.82 1s1h s LYS 132 Ca 0.30 1.67 -0.05 0.00 -0.36 0.00 0.00 55.97 57.53 1s1h s LYS 132 Cb 0.00 -2.72 0.02 0.00 -1.51 0.00 0.00 37.83 33.62 1s1h s LYS 132 CO 0.18 -0.11 0.93 2.41 -0.36 0.00 0.00 175.35 178.40 1s1h n THR 133 N 0.24 -4.03 -3.44 3.43 -1.04 -1.26 -4.98 114.28 103.21 1s1h n THR 133 Ca 0.03 -0.30 0.01 0.00 -2.04 0.00 0.00 64.05 61.76 1s1h n THR 133 Cb 0.48 -3.91 -0.03 0.00 -1.82 0.00 0.00 70.33 65.04 1s1h n THR 133 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1s1h s VAL 134 N -3.45 -0.97 -0.16 12.58 0.11 -1.15 -4.65 120.40 122.72 1s1h s VAL 134 Ca 0.26 0.00 0.21 0.00 -2.93 0.00 0.00 61.98 59.52 1s1h s VAL 134 Cb -0.12 -1.00 0.46 0.00 -1.53 0.00 0.00 36.38 34.19 1s1h s VAL 134 CO 0.78 0.00 1.15 0.54 -3.33 0.00 0.00 175.10 174.24 1s1h n ARG 135 N 5.43 1.29 -3.79 1.54 5.12 -1.26 -2.83 116.66 122.15 1s1h n ARG 135 Ca -0.08 -3.00 -0.13 0.00 -1.93 0.00 0.00 57.85 52.72 1s1h n ARG 135 Cb 0.50 -1.09 -0.09 0.00 -1.16 0.00 0.00 32.46 30.62 1s1h n ARG 135 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1s1h s PHE 136 N -2.30 -0.16 0.07 -1.55 0.40 -1.26 -1.94 117.98 111.24 1s1h s PHE 136 Ca 0.34 0.27 0.07 0.00 -0.60 0.00 0.00 56.93 57.01 1s1h s PHE 136 Cb 0.36 0.07 -0.03 0.00 0.51 0.00 0.00 43.02 43.93 1s1h s PHE 136 CO -0.08 -0.32 -0.20 1.21 0.70 0.00 0.00 175.22 176.53 1s1h s ASN 137 N -1.05 2.36 -0.38 1.36 3.84 -0.77 -0.70 114.94 119.59 1s1h s ASN 137 Ca -0.11 -0.60 -0.29 0.00 0.21 0.00 0.00 52.86 52.07 1s1h s ASN 137 Cb -0.05 -0.15 0.01 0.00 -0.55 0.00 0.00 41.25 40.50 1s1h s ASN 137 CO 0.03 0.08 1.38 0.68 -2.79 0.00 0.00 177.10 176.48 1s1h s VAL 138 N -1.00 3.97 0.04 -5.21 -7.23 -1.16 -1.19 120.40 108.62 1s1h s VAL 138 Ca 0.06 1.03 -0.26 0.00 -1.81 0.00 0.00 61.98 61.00 1s1h s VAL 138 Cb -0.09 -4.19 -0.17 0.00 0.56 0.00 0.00 36.38 32.48 1s1h s VAL 138 CO 0.03 -0.68 1.50 0.58 -0.31 0.00 0.00 175.10 176.22 1s1h h VAL 139 N 6.31 0.88 -1.99 1.32 2.07 0.15 -3.48 116.25 121.51 1s1h h VAL 139 Ca -0.27 -0.37 0.37 0.00 0.82 0.00 0.00 66.70 67.25 1s1h h VAL 139 Cb 1.10 1.10 -0.08 0.00 -1.52 0.00 0.00 31.29 31.89 1s1h h VAL 139 CO 1.07 0.08 0.94 -1.59 0.02 0.00 0.00 177.57 178.09 1s1h s LYS 140 N -5.40 0.26 -0.25 1.57 -2.85 -1.11 -4.97 119.74 106.98 1s1h s LYS 140 Ca -0.15 -0.17 -0.14 0.00 -1.00 0.00 0.00 55.97 54.52 1s1h s LYS 140 Cb 0.04 0.07 -0.04 0.00 -2.06 0.00 0.00 37.83 35.84 1s1h s LYS 140 CO 0.62 -0.12 0.34 0.54 0.10 0.00 0.00 175.35 176.83 1s1h s VAL 141 N -2.04 5.21 0.10 1.79 0.11 -1.26 -1.03 120.40 123.28 1s1h s VAL 141 Ca 0.29 0.52 -0.15 0.00 -2.93 0.00 0.00 61.98 59.71 1s1h s VAL 141 Cb 0.00 -3.67 -0.09 0.00 -1.53 0.00 0.00 36.38 31.10 1s1h s VAL 141 CO -0.02 0.21 1.42 -1.28 -3.33 0.00 0.00 175.10 172.10 1s1h h SER 142 N 7.92 0.75 0.00 3.54 0.87 -1.02 -3.48 113.55 122.13 1s1h h SER 142 Ca -0.34 -0.47 0.00 0.00 -1.23 0.00 0.00 61.79 59.75 1s1h h SER 142 Cb 1.17 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 1s1h h SER 142 CO 0.65 1.07 0.00 0.00 -0.53 0.00 0.00 176.83 178.02