#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a6x s GLU 71 N 0.00 0.05 -0.47 3.17 2.56 -1.26 -5.11 118.70 117.64 1a6x s GLU 71 Ca 0.00 0.13 0.03 0.00 0.00 0.00 0.00 54.97 55.13 1a6x s GLU 71 Cb 0.00 0.08 0.20 0.00 2.00 0.00 0.00 34.13 36.41 1a6x s GLU 71 CO 0.00 -0.02 0.84 0.00 -0.56 0.00 0.00 175.26 175.52 1a6x n ALA 72 N 4.62 -2.44 0.01 6.30 0.00 -1.26 -5.02 120.51 122.72 1a6x n ALA 72 Ca -0.07 -0.71 -0.19 0.00 0.00 0.00 0.00 53.44 52.48 1a6x n ALA 72 Cb 0.55 -2.02 -0.09 0.00 0.00 0.00 0.00 19.45 17.89 1a6x n ALA 72 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1a6x h PRO 73 N 4.75 0.70 -4.62 0.00 0.13 -2.05 -3.41 132.00 127.50 1a6x h PRO 73 Ca 0.04 -0.67 -0.67 0.00 -0.87 0.00 0.00 66.00 63.82 1a6x h PRO 73 Cb 1.13 0.17 -0.38 0.00 0.13 0.00 0.00 31.00 32.05 1a6x h PRO 73 CO -0.02 1.27 -0.66 0.00 -0.23 0.00 0.00 178.00 178.36 1a6x s ALA 74 N -3.48 2.98 0.38 -0.56 0.00 -1.26 -4.81 121.76 115.02 1a6x s ALA 74 Ca -0.11 -2.52 0.00 0.00 0.00 0.00 0.00 51.96 49.33 1a6x s ALA 74 Cb 0.07 -2.12 0.00 0.00 0.00 0.00 0.00 23.12 21.07 1a6x s ALA 74 CO 0.90 -1.72 0.00 0.00 0.00 0.00 0.00 175.76 174.94 1a6x n ALA 75 N 4.38 1.11 -1.25 0.00 0.00 -1.26 -5.17 120.51 118.32 1a6x n ALA 75 Ca 0.01 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.61 1a6x n ALA 75 Cb 0.42 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.82 1a6x n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a6x n ALA 76 N -3.39 -3.46 -2.70 0.00 0.00 -1.26 -4.67 120.51 105.03 1a6x n ALA 76 Ca 0.00 0.52 -0.40 0.00 0.00 0.00 0.00 53.44 53.55 1a6x n ALA 76 Cb 0.00 -1.24 -0.04 0.00 0.00 0.00 0.00 19.45 18.17 1a6x n ALA 76 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1a6x s GLU 77 N -2.92 4.41 0.86 0.00 -1.05 -1.26 -5.01 118.70 113.74 1a6x s GLU 77 Ca 0.00 0.98 -0.17 0.00 -0.15 0.00 0.00 54.97 55.63 1a6x s GLU 77 Cb 0.00 -3.48 -0.13 0.00 -0.44 0.00 0.00 34.13 30.07 1a6x s GLU 77 CO 0.00 -0.06 -0.48 0.44 0.95 0.00 0.00 175.26 176.11 1a6x n ILE 78 N 4.06 0.10 0.32 1.83 -0.00 -1.26 -4.88 119.36 119.54 1a6x n ILE 78 Ca 0.01 -0.47 -0.13 0.00 -0.00 0.00 0.00 62.75 62.16 1a6x n ILE 78 Cb 0.51 -0.09 -0.06 0.00 -0.00 0.00 0.00 39.64 40.00 1a6x n ILE 78 CO 0.00 0.00 0.00 -1.28 -0.00 0.00 0.00 176.55 175.27 1a6x h SER 79 N -0.77 -0.73 -1.90 7.28 0.87 -1.96 -3.44 113.55 112.90 1a6x h SER 79 Ca -0.43 0.03 -0.54 0.00 -1.23 0.00 0.00 61.79 59.61 1a6x h SER 79 Cb 1.34 0.19 0.24 0.00 -0.44 0.00 0.00 62.40 63.73 1a6x h SER 79 CO 0.29 -0.51 -1.96 0.61 -0.53 0.00 0.00 176.83 174.74 1a6x n GLY 80 N -1.42 -4.44 2.93 5.77 0.00 -1.26 -4.95 105.19 101.83 1a6x n GLY 80 Ca -0.10 -0.71 -0.23 0.00 0.00 0.00 0.00 46.02 44.97 1a6x n GLY 80 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1a6x s HIS 81 N -2.01 1.14 -0.13 1.61 2.46 0.13 -4.90 115.29 113.60 1a6x s HIS 81 Ca 0.40 -0.43 -0.18 0.00 0.47 0.00 0.00 55.06 55.32 1a6x s HIS 81 Cb -0.14 -0.94 -0.04 0.00 -0.13 0.00 0.00 32.58 31.32 1a6x s HIS 81 CO 0.81 -0.30 0.47 0.42 -2.47 0.00 0.00 174.74 173.66 1a6x s ILE 82 N 1.11 5.19 -0.22 0.89 1.09 -1.26 -1.34 121.20 126.66 1a6x s ILE 82 Ca -0.07 0.93 -0.26 0.00 -1.10 0.00 0.00 60.65 60.15 1a6x s ILE 82 Cb -0.14 -3.81 -0.00 0.00 -1.06 0.00 0.00 42.46 37.45 1a6x s ILE 82 CO -0.01 0.32 0.88 -0.69 -0.10 0.00 0.00 174.94 175.34 1a6x s VAL 83 N 0.67 4.81 -0.24 2.92 1.01 0.82 -4.96 120.40 125.44 1a6x s VAL 83 Ca 0.25 1.69 -0.11 0.00 0.00 0.00 0.00 61.98 63.81 1a6x s VAL 83 Cb -0.15 -4.17 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 1a6x s VAL 83 CO 0.10 -0.07 0.17 -0.13 0.00 0.00 0.00 175.10 175.17 1a6x s ARG 84 N 2.74 4.08 -0.61 2.72 0.52 -1.26 -0.01 118.95 127.12 1a6x s ARG 84 Ca 0.38 -0.24 -0.34 0.00 -0.52 0.00 0.00 55.73 55.01 1a6x s ARG 84 Cb -0.16 -3.53 -0.15 0.00 0.52 0.00 0.00 34.95 31.63 1a6x s ARG 84 CO 0.08 0.07 2.39 -1.13 0.02 0.00 0.00 175.30 176.73 1a6x n SER 85 N 4.26 1.33 0.00 0.23 3.41 0.79 -4.72 113.62 118.91 1a6x n SER 85 Ca -0.15 0.20 0.12 0.00 -0.26 0.00 0.00 58.87 58.78 1a6x n SER 85 Cb 0.52 -1.15 0.68 0.00 -0.26 0.00 0.00 64.21 64.00 1a6x n SER 85 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1a6x n PRO 86 N 8.34 0.75 -3.59 4.33 -0.04 -1.26 -3.08 135.00 140.45 1a6x n PRO 86 Ca 0.51 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.81 1a6x n PRO 86 Cb 0.18 -1.48 -0.07 0.00 -0.04 0.00 0.00 33.50 32.09 1a6x n PRO 86 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 1a6x s MET 87 N -2.00 0.92 0.22 0.54 1.75 -1.26 -4.99 119.30 114.48 1a6x s MET 87 Ca 0.35 0.72 -0.30 0.00 -1.25 0.00 0.00 55.69 55.20 1a6x s MET 87 Cb 0.16 0.44 -0.09 0.00 2.84 0.00 0.00 34.83 38.19 1a6x s MET 87 CO 0.27 -0.19 0.95 0.08 -0.65 0.00 0.00 175.02 175.48 1a6x s VAL 88 N -0.22 4.10 0.00 10.11 1.01 -1.26 -4.50 120.40 129.65 1a6x s VAL 88 Ca -0.04 2.05 0.00 0.00 0.00 0.00 0.00 61.98 63.99 1a6x s VAL 88 Cb -0.03 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 32.04 1a6x s VAL 88 CO 0.04 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1a6x n GLY 89 N 1.60 -0.55 3.45 4.51 0.00 -0.52 -4.76 105.19 108.92 1a6x n GLY 89 Ca -0.01 0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 1a6x n GLY 89 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a6x s THR 90 N 0.00 1.24 0.00 2.61 2.01 -0.23 -0.17 115.64 121.10 1a6x s THR 90 Ca 0.00 -2.01 0.00 0.00 0.31 0.00 0.00 61.69 59.99 1a6x s THR 90 Cb 0.00 -2.77 -0.00 0.00 0.01 0.00 0.00 72.50 69.74 1a6x s THR 90 CO 0.00 -0.03 -0.00 0.12 -0.69 0.00 0.00 174.62 174.02 1a6x s PHE 91 N -3.26 0.02 0.06 4.92 2.19 0.07 -0.75 117.98 121.22 1a6x s PHE 91 Ca 0.36 -0.02 0.03 0.00 0.33 0.00 0.00 56.93 57.63 1a6x s PHE 91 Cb 0.08 -0.01 -0.03 0.00 -1.31 0.00 0.00 43.02 41.75 1a6x s PHE 91 CO 0.15 -0.01 -0.10 0.71 1.83 0.00 0.00 175.22 177.80 1a6x s TYR 92 N -0.07 0.90 -0.24 10.12 2.02 0.51 -0.46 117.35 130.14 1a6x s TYR 92 Ca -0.01 -0.49 0.22 0.00 -0.37 0.00 0.00 57.07 56.42 1a6x s TYR 92 Cb -0.00 -0.52 -0.13 0.00 -0.40 0.00 0.00 41.96 40.91 1a6x s TYR 92 CO -0.00 -0.03 0.81 0.54 -1.57 0.00 0.00 175.55 175.31 1a6x n ARG 93 N 1.34 0.55 -4.25 -0.62 5.12 -1.26 -1.03 116.66 116.51 1a6x n ARG 93 Ca -0.22 -0.03 -0.18 0.00 -1.93 0.00 0.00 57.85 55.49 1a6x n ARG 93 Cb 0.55 -1.65 -0.11 0.00 -1.16 0.00 0.00 32.46 30.08 1a6x n ARG 93 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1a6x s THR 94 N -3.39 1.35 0.18 0.55 -4.23 -1.26 -1.33 115.64 107.52 1a6x s THR 94 Ca -0.03 -1.78 0.11 0.00 -1.18 0.00 0.00 61.69 58.82 1a6x s THR 94 Cb 0.12 -1.60 -0.04 0.00 1.34 0.00 0.00 72.50 72.33 1a6x s THR 94 CO 0.84 -0.45 1.53 1.55 -0.54 0.00 0.00 174.62 177.55 1a6x h PRO 95 N 3.40 0.00 -4.60 3.99 0.13 -1.86 -3.46 132.00 129.59 1a6x h PRO 95 Ca -0.40 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.40 1a6x h PRO 95 Cb 1.20 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.20 1a6x h PRO 95 CO 0.52 0.67 -0.47 -1.12 -0.23 0.00 0.00 178.00 177.37 1a6x s SER 96 N -6.71 0.88 0.01 1.44 0.01 -1.26 -5.04 113.70 103.03 1a6x s SER 96 Ca -0.00 -1.53 -0.20 0.00 1.31 0.00 0.00 55.95 55.53 1a6x s SER 96 Cb 0.11 0.51 -0.22 0.00 0.21 0.00 0.00 66.02 66.63 1a6x s SER 96 CO 0.76 -1.02 1.13 1.55 0.41 0.00 0.00 173.24 176.08 1a6x h PRO 97 N 2.32 0.41 -0.84 12.44 0.13 -1.97 -3.14 132.00 141.35 1a6x h PRO 97 Ca -0.30 -0.39 -0.13 0.00 -0.87 0.00 0.00 66.00 64.31 1a6x h PRO 97 Cb 1.24 0.10 -0.08 0.00 0.13 0.00 0.00 31.00 32.39 1a6x h PRO 97 CO 0.43 1.05 0.17 -0.25 -0.23 0.00 0.00 178.00 179.17 1a6x n ASP 98 N -4.27 3.78 -4.51 1.44 10.43 -1.26 -4.85 116.55 117.30 1a6x n ASP 98 Ca -0.09 -2.76 -0.33 0.00 2.57 0.00 0.00 54.79 54.18 1a6x n ASP 98 Cb 0.62 -0.66 -0.12 0.00 1.84 0.00 0.00 41.12 42.80 1a6x n ASP 98 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1a6x s ALA 99 N -2.09 2.79 1.32 2.24 0.00 -1.19 -5.11 121.76 119.73 1a6x s ALA 99 Ca 0.35 -0.93 -0.20 0.00 0.00 0.00 0.00 51.96 51.18 1a6x s ALA 99 Cb 0.28 -1.12 0.32 0.00 0.00 0.00 0.00 23.12 22.60 1a6x s ALA 99 CO 0.09 0.51 0.73 1.63 0.00 0.00 0.00 175.76 178.72 1a6x n LYS 100 N 2.46 -3.96 -3.01 0.00 5.02 -1.26 -4.68 118.16 112.73 1a6x n LYS 100 Ca -0.18 -1.17 -0.40 0.00 -2.02 0.00 0.00 58.31 54.55 1a6x n LYS 100 Cb 0.53 -1.82 -0.05 0.00 -0.02 0.00 0.00 35.03 33.67 1a6x n LYS 100 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1a6x s ALA 101 N -2.13 3.36 0.28 7.82 0.00 -1.26 -4.48 121.76 125.36 1a6x s ALA 101 Ca 0.59 0.23 0.02 0.00 0.00 0.00 0.00 51.96 52.80 1a6x s ALA 101 Cb -0.12 -2.98 0.65 0.00 0.00 0.00 0.00 23.12 20.68 1a6x s ALA 101 CO 0.51 0.01 1.72 0.74 0.00 0.00 0.00 175.76 178.74 1a6x h PHE 102 N 6.02 0.70 -3.22 0.00 0.04 -1.54 -3.37 116.94 115.57 1a6x h PHE 102 Ca -0.43 0.04 -0.52 0.00 2.80 0.00 0.00 57.97 59.85 1a6x h PHE 102 Cb 1.20 -0.17 -0.36 0.00 2.20 0.00 0.00 35.95 38.82 1a6x h PHE 102 CO 0.65 0.04 -0.80 0.42 -0.60 0.00 0.00 178.31 178.02 1a6x s ILE 103 N -5.92 1.04 -0.39 -0.55 1.01 -1.26 -4.90 121.20 110.23 1a6x s ILE 103 Ca -0.12 -0.31 -0.21 0.00 0.00 0.00 0.00 60.65 60.01 1a6x s ILE 103 Cb 0.24 -1.04 0.01 0.00 0.01 0.00 0.00 42.46 41.68 1a6x s ILE 103 CO 0.78 0.36 0.68 -0.70 0.00 0.00 0.00 174.94 176.06 1a6x s GLU 104 N 1.55 3.55 -0.49 2.79 2.12 -1.26 -4.97 118.70 121.99 1a6x s GLU 104 Ca 0.02 -0.04 -0.46 0.00 0.36 0.00 0.00 54.97 54.86 1a6x s GLU 104 Cb -0.13 -3.86 -0.19 0.00 0.26 0.00 0.00 34.13 30.20 1a6x s GLU 104 CO -0.06 -0.87 1.81 0.28 -0.54 0.00 0.00 175.26 175.87 1a6x n VAL 105 N 5.76 0.01 0.00 3.70 0.31 -1.26 -1.12 118.33 125.73 1a6x n VAL 105 Ca -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1a6x n VAL 105 Cb 0.48 -0.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.88 1a6x n VAL 105 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a6x n GLY 106 N 5.30 1.77 3.42 2.92 0.00 -1.26 -5.10 105.19 112.23 1a6x n GLY 106 Ca 0.40 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.20 1a6x n GLY 106 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1a6x s GLN 107 N -0.62 1.52 -0.06 1.61 0.74 -0.28 -5.05 119.66 117.52 1a6x s GLN 107 Ca 0.00 -1.72 -0.08 0.00 0.05 0.00 0.00 55.36 53.61 1a6x s GLN 107 Cb 0.00 -1.36 -0.04 0.00 1.10 0.00 0.00 33.01 32.71 1a6x s GLN 107 CO 0.00 0.18 0.22 0.21 -0.55 0.00 0.00 175.29 175.35 1a6x s LYS 108 N -3.63 3.55 -0.02 1.67 2.20 -1.26 -3.73 119.74 118.52 1a6x s LYS 108 Ca 0.27 -0.04 0.00 0.00 -0.36 0.00 0.00 55.97 55.84 1a6x s LYS 108 Cb -0.00 -3.16 0.03 0.00 -1.51 0.00 0.00 37.83 33.18 1a6x s LYS 108 CO 0.11 0.73 0.01 0.14 -0.36 0.00 0.00 175.35 175.98 1a6x s VAL 109 N -1.12 0.06 0.19 4.02 -7.23 -0.16 -5.01 120.40 111.15 1a6x s VAL 109 Ca 0.20 0.15 0.10 0.00 -1.81 0.00 0.00 61.98 60.62 1a6x s VAL 109 Cb -0.13 -0.18 -0.04 0.00 0.56 0.00 0.00 36.38 36.59 1a6x s VAL 109 CO 0.09 0.12 -0.21 0.20 -0.31 0.00 0.00 175.10 174.99 1a6x s ASN 110 N 1.04 3.15 -0.49 4.85 0.01 -1.26 -0.76 114.94 121.47 1a6x s ASN 110 Ca -0.10 -0.88 -0.44 0.00 -0.71 0.00 0.00 52.86 50.73 1a6x s ASN 110 Cb -0.13 -0.22 -0.19 0.00 0.41 0.00 0.00 41.25 41.12 1a6x s ASN 110 CO -0.02 0.05 1.99 0.52 -1.51 0.00 0.00 177.10 178.13 1a6x n VAL 111 N 0.21 0.01 0.00 1.60 0.31 -1.26 -0.98 118.33 118.22 1a6x n VAL 111 Ca -0.12 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1a6x n VAL 111 Cb 0.57 -0.55 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 1a6x n VAL 111 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a6x n GLY 112 N 6.49 1.33 3.79 2.92 0.00 -1.26 -5.07 105.19 113.39 1a6x n GLY 112 Ca 0.48 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.13 1a6x n GLY 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a6x s ASP 113 N -0.64 6.60 1.09 1.61 1.01 -0.15 -4.91 116.67 121.28 1a6x s ASP 113 Ca 0.00 0.71 -0.17 0.00 0.71 0.00 0.00 52.55 53.79 1a6x s ASP 113 Cb 0.00 -2.20 0.14 0.00 1.01 0.00 0.00 42.92 41.87 1a6x s ASP 113 CO 0.00 0.21 0.13 0.41 0.21 0.00 0.00 175.17 176.13 1a6x n THR 114 N 2.72 0.00 0.00 -1.27 -1.04 -1.26 -1.17 114.28 112.26 1a6x n THR 114 Ca -0.13 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.71 1a6x n THR 114 Cb 0.52 -0.56 0.00 0.00 -1.82 0.00 0.00 70.33 68.47 1a6x n THR 114 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1a6x n LEU 115 N -1.60 0.16 0.00 -4.42 -0.00 0.11 -4.17 117.00 107.08 1a6x n LEU 115 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.04 1a6x n LEU 115 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 1a6x n LEU 115 CO 0.40 -0.25 0.00 0.00 -0.00 0.00 0.00 177.39 177.53 1a6x s ILE 117 N -2.35 0.46 -0.04 0.00 1.01 -0.20 -0.34 121.20 119.73 1a6x s ILE 117 Ca 0.00 -1.27 0.01 0.00 0.00 0.00 0.00 60.65 59.38 1a6x s ILE 117 Cb 0.00 -0.82 0.02 0.00 0.01 0.00 0.00 42.46 41.67 1a6x s ILE 117 CO 0.00 -0.55 -0.03 -0.69 0.00 0.00 0.00 174.94 173.67 1a6x s VAL 118 N -2.05 0.43 -0.13 2.92 1.01 0.11 -0.36 120.40 122.33 1a6x s VAL 118 Ca -0.06 -0.05 -0.18 0.00 0.00 0.00 0.00 61.98 61.70 1a6x s VAL 118 Cb -0.06 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 1a6x s VAL 118 CO -0.02 0.21 0.48 -0.70 0.00 0.00 0.00 175.10 175.07 1a6x s GLU 119 N 1.03 4.31 -0.06 2.72 2.12 0.07 -0.12 118.70 128.77 1a6x s GLU 119 Ca -0.09 0.43 -0.30 0.00 0.36 0.00 0.00 54.97 55.37 1a6x s GLU 119 Cb -0.14 -3.46 0.09 0.00 0.26 0.00 0.00 34.13 30.88 1a6x s GLU 119 CO -0.01 0.10 0.79 0.00 -0.54 0.00 0.00 175.26 175.60 1a6x s ALA 120 N 0.80 -1.81 -1.45 6.30 0.00 -0.43 -1.06 121.76 124.11 1a6x s ALA 120 Ca 0.25 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.52 1a6x s ALA 120 Cb -0.15 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 22.86 1a6x s ALA 120 CO 0.10 -0.41 0.00 -1.33 0.00 0.00 0.00 175.76 174.12 1a6x n MET 121 N 0.64 -1.41 -3.02 0.00 2.81 -1.26 0.22 117.12 115.10 1a6x n MET 121 Ca -0.15 0.81 -0.12 0.00 -1.81 0.00 0.00 57.70 56.43 1a6x n MET 121 Cb 0.58 -5.11 0.04 0.00 -0.71 0.00 0.00 33.22 28.03 1a6x n MET 121 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1a6x n LYS 122 N -2.04 -3.97 -3.77 0.03 4.76 -1.26 -5.03 118.16 106.88 1a6x n LYS 122 Ca -0.14 0.42 -0.12 0.00 -2.87 0.00 0.00 58.31 55.59 1a6x n LYS 122 Cb 0.48 -4.20 -0.08 0.00 -1.84 0.00 0.00 35.03 29.39 1a6x n LYS 122 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 1a6x s MET 123 N -5.58 0.72 -0.56 1.97 -1.94 0.13 -5.12 119.30 108.93 1a6x s MET 123 Ca 0.27 -0.38 -0.20 0.00 -1.71 0.00 0.00 55.69 53.67 1a6x s MET 123 Cb -0.12 0.31 0.07 0.00 2.01 0.00 0.00 34.83 37.11 1a6x s MET 123 CO 0.37 -0.21 0.72 0.00 -0.01 0.00 0.00 175.02 175.89 1a6x s MET 124 N -1.96 3.11 -0.38 2.03 0.23 -1.26 -1.31 119.30 119.76 1a6x s MET 124 Ca -0.09 -0.97 -0.17 0.00 -1.03 0.00 0.00 55.69 53.43 1a6x s MET 124 Cb -0.03 -4.16 0.01 0.00 -1.53 0.00 0.00 34.83 29.11 1a6x s MET 124 CO 0.00 -1.42 0.47 -0.80 -2.03 0.00 0.00 175.02 171.24 1a6x s ASN 125 N 3.13 6.25 0.36 -1.18 0.01 0.82 -4.92 114.94 119.42 1a6x s ASN 125 Ca 0.16 -0.33 -0.26 0.00 -0.71 0.00 0.00 52.86 51.72 1a6x s ASN 125 Cb -0.20 -2.24 -0.09 0.00 0.41 0.00 0.00 41.25 39.13 1a6x s ASN 125 CO 0.10 -0.52 1.09 -1.10 -1.51 0.00 0.00 177.10 175.17 1a6x s GLN 126 N 2.28 4.28 -0.27 -0.60 -0.21 -1.26 0.06 119.66 123.94 1a6x s GLN 126 Ca 0.15 1.67 -0.04 0.00 0.02 0.00 0.00 55.36 57.16 1a6x s GLN 126 Cb -0.16 -2.77 0.01 0.00 1.00 0.00 0.00 33.01 31.10 1a6x s GLN 126 CO 0.14 -0.08 0.01 0.42 -2.12 0.00 0.00 175.29 173.66 1a6x s ILE 127 N -1.45 3.49 0.00 1.08 -1.09 0.54 -4.89 121.20 118.87 1a6x s ILE 127 Ca 0.54 -0.78 -0.19 0.00 -2.23 0.00 0.00 60.65 57.99 1a6x s ILE 127 Cb -0.27 -2.76 -0.06 0.00 -1.58 0.00 0.00 42.46 37.80 1a6x s ILE 127 CO 0.34 0.18 0.54 -0.70 -1.23 0.00 0.00 174.94 174.07 1a6x s GLU 128 N 1.43 4.23 0.07 2.79 -6.30 -1.26 0.05 118.70 119.71 1a6x s GLU 128 Ca 0.02 0.65 -0.36 0.00 -2.50 0.00 0.00 54.97 52.78 1a6x s GLU 128 Cb -0.17 -3.31 -0.19 0.00 0.00 0.00 0.00 34.13 30.47 1a6x s GLU 128 CO -0.01 0.47 0.92 0.00 0.02 0.00 0.00 175.26 176.65 1a6x n ALA 129 N 2.43 -3.29 -0.59 6.30 0.00 -0.32 -4.81 120.51 120.24 1a6x n ALA 129 Ca -0.09 0.55 0.05 0.00 0.00 0.00 0.00 53.44 53.95 1a6x n ALA 129 Cb 0.51 -1.73 0.08 0.00 0.00 0.00 0.00 19.45 18.31 1a6x n ALA 129 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1a6x n ASP 130 N 1.68 2.18 -2.71 0.00 2.03 -1.26 -4.42 116.55 114.05 1a6x n ASP 130 Ca 0.19 -2.59 0.02 0.00 0.52 0.00 0.00 54.79 52.93 1a6x n ASP 130 Cb 0.14 -0.23 0.01 0.00 -0.72 0.00 0.00 41.12 40.31 1a6x n ASP 130 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1a6x s LYS 131 N -2.02 0.01 0.47 -0.67 1.02 -1.26 -5.08 119.74 112.20 1a6x s LYS 131 Ca 0.17 -0.00 -0.18 0.00 0.02 0.00 0.00 55.97 55.98 1a6x s LYS 131 Cb 0.15 0.00 -0.14 0.00 -0.52 0.00 0.00 37.83 37.32 1a6x s LYS 131 CO 0.02 -0.02 -0.09 -1.13 -0.92 0.00 0.00 175.35 173.21 1a6x n SER 132 N 3.66 -3.41 0.00 2.83 3.41 -1.26 -4.87 113.62 113.99 1a6x n SER 132 Ca 0.05 0.65 0.00 0.00 -0.26 0.00 0.00 58.87 59.31 1a6x n SER 132 Cb 0.64 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 1a6x n SER 132 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a6x n GLY 133 N 2.38 -1.22 2.47 5.00 0.00 0.06 -4.83 105.19 109.05 1a6x n GLY 133 Ca 0.08 -0.89 -0.25 0.00 0.00 0.00 0.00 46.02 44.97 1a6x n GLY 133 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1a6x n THR 134 N 0.27 1.45 -0.83 2.61 -1.04 -1.10 -0.99 114.28 114.65 1a6x n THR 134 Ca 0.00 -4.95 0.11 0.00 -2.04 0.00 0.00 64.05 57.16 1a6x n THR 134 Cb 0.00 -1.53 -0.03 0.00 -1.82 0.00 0.00 70.33 66.95 1a6x n THR 134 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1a6x n VAL 135 N 0.55 0.00 0.00 12.58 3.14 -1.24 -4.38 118.33 128.98 1a6x n VAL 135 Ca 0.27 0.05 0.00 0.00 -2.96 0.00 0.00 64.34 61.70 1a6x n VAL 135 Cb 0.48 -0.31 0.00 0.00 -1.06 0.00 0.00 33.84 32.94 1a6x n VAL 135 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1a6x n LYS 136 N -2.66 0.00 0.00 1.45 0.00 0.58 -0.51 118.16 117.02 1a6x n LYS 136 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 1a6x n LYS 136 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.62 1a6x n LYS 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1a6x n ALA 137 N -2.14 0.00 -2.64 3.14 0.00 0.24 -4.96 120.51 114.15 1a6x n ALA 137 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 1a6x n ALA 137 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1a6x n ALA 137 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1a6x s ILE 138 N -0.39 5.26 -0.19 0.00 -1.09 -1.26 -0.01 121.20 123.51 1a6x s ILE 138 Ca 0.00 0.44 -0.10 0.00 -2.23 0.00 0.00 60.65 58.75 1a6x s ILE 138 Cb 0.00 -3.62 -0.21 0.00 -1.58 0.00 0.00 42.46 37.05 1a6x s ILE 138 CO 0.00 0.26 0.12 0.18 -1.23 0.00 0.00 174.94 174.27 1a6x n LEU 139 N 4.66 2.39 -4.82 2.97 4.77 -0.99 -4.91 117.00 121.08 1a6x n LEU 139 Ca -0.11 0.22 -0.36 0.00 -0.03 0.00 0.00 56.01 55.73 1a6x n LEU 139 Cb 0.51 -1.00 -0.06 0.00 -2.33 0.00 0.00 43.42 40.54 1a6x n LEU 139 CO 0.37 0.67 0.37 0.54 -1.33 0.00 0.00 177.39 178.02 1a6x s VAL 140 N -2.49 4.63 0.48 4.08 0.11 -0.86 -5.07 120.40 121.28 1a6x s VAL 140 Ca -0.29 1.19 0.03 0.00 -2.93 0.00 0.00 61.98 59.98 1a6x s VAL 140 Cb 0.08 -3.84 0.02 0.00 -1.53 0.00 0.00 36.38 31.11 1a6x s VAL 140 CO 0.65 0.24 0.69 -0.70 -3.33 0.00 0.00 175.10 172.65 1a6x s GLU 141 N -1.91 2.78 -0.98 1.54 2.56 -1.26 -4.97 118.70 116.46 1a6x s GLU 141 Ca 0.41 -0.79 -0.24 0.00 0.00 0.00 0.00 54.97 54.35 1a6x s GLU 141 Cb -0.17 -2.58 0.02 0.00 2.00 0.00 0.00 34.13 33.40 1a6x s GLU 141 CO 0.21 -0.45 1.61 -1.54 -0.56 0.00 0.00 175.26 174.52 1a6x s SER 142 N -4.33 6.06 0.00 -1.70 1.04 -1.26 -2.06 113.70 111.44 1a6x s SER 142 Ca 0.53 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.77 1a6x s SER 142 Cb -0.10 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.45 1a6x s SER 142 CO 0.37 -1.91 0.00 0.61 0.98 0.00 0.00 173.24 173.29 1a6x n GLY 143 N 6.87 0.75 3.82 7.32 0.00 0.39 -4.88 105.19 119.46 1a6x n GLY 143 Ca 0.35 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.04 1a6x n GLY 143 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a6x s GLN 144 N 0.00 4.16 0.72 1.61 -0.21 -0.88 -4.76 119.66 120.31 1a6x s GLN 144 Ca 0.00 1.15 -0.11 0.00 0.02 0.00 0.00 55.36 56.42 1a6x s GLN 144 Cb 0.00 -2.17 0.02 0.00 1.00 0.00 0.00 33.01 31.87 1a6x s GLN 144 CO 0.00 -0.09 1.07 -1.25 -2.12 0.00 0.00 175.29 172.90 1a6x s PRO 145 N -3.21 2.72 0.04 2.91 0.04 -1.26 -0.75 135.00 135.48 1a6x s PRO 145 Ca 0.63 0.88 -0.01 0.00 0.04 0.00 0.00 61.00 62.53 1a6x s PRO 145 Cb -0.10 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 1a6x s PRO 145 CO 0.14 -1.23 -0.01 0.14 0.04 0.00 0.00 177.00 176.08 1a6x s VAL 146 N -3.07 0.19 0.09 -0.36 -7.23 0.76 -4.75 120.40 106.03 1a6x s VAL 146 Ca 0.59 -1.53 0.04 0.00 -1.81 0.00 0.00 61.98 59.26 1a6x s VAL 146 Cb -0.14 -1.19 -0.03 0.00 0.56 0.00 0.00 36.38 35.58 1a6x s VAL 146 CO 0.55 -0.85 -0.10 -1.61 -0.31 0.00 0.00 175.10 172.78 1a6x s GLU 147 N -3.27 0.83 0.27 4.82 2.02 -1.26 -1.44 118.70 120.67 1a6x s GLU 147 Ca 0.01 -1.12 -0.30 0.00 0.02 0.00 0.00 54.97 53.58 1a6x s GLU 147 Cb 0.03 -0.54 -0.11 0.00 0.10 0.00 0.00 34.13 33.62 1a6x s GLU 147 CO -0.08 0.09 1.53 0.12 0.02 0.00 0.00 175.26 176.94 1a6x s PHE 148 N -2.31 2.86 0.00 1.61 2.19 -1.26 -1.04 117.98 120.03 1a6x s PHE 148 Ca 0.04 0.88 0.00 0.00 0.33 0.00 0.00 56.93 58.18 1a6x s PHE 148 Cb -0.04 -3.96 0.00 0.00 -1.31 0.00 0.00 43.02 37.71 1a6x s PHE 148 CO 0.00 -3.20 0.00 -3.47 1.83 0.00 0.00 175.22 170.38 1a6x n ASP 149 N 2.25 0.00 -4.87 6.13 -0.08 -1.18 -5.01 116.55 113.79 1a6x n ASP 149 Ca 0.08 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 53.04 1a6x n ASP 149 Cb 0.39 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.79 1a6x n ASP 149 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1a6x s GLU 150 N -0.16 3.87 0.60 -0.67 0.41 -0.20 -4.89 118.70 117.66 1a6x s GLU 150 Ca 0.00 0.41 -0.15 0.00 -0.41 0.00 0.00 54.97 54.82 1a6x s GLU 150 Cb 0.00 -2.57 -0.04 0.00 -1.78 0.00 0.00 34.13 29.75 1a6x s GLU 150 CO 0.00 0.25 1.05 -1.25 -0.49 0.00 0.00 175.26 174.82 1a6x s PRO 151 N -2.90 3.35 0.00 0.39 0.04 -1.26 -0.15 135.00 134.47 1a6x s PRO 151 Ca 0.50 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.68 1a6x s PRO 151 Cb -0.11 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.39 1a6x s PRO 151 CO 0.20 -0.78 0.00 1.28 0.04 0.00 0.00 177.00 177.74 1a6x n LEU 152 N -2.11 0.00 -4.34 -3.56 4.77 0.98 -4.68 117.00 108.07 1a6x n LEU 152 Ca 0.08 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.82 1a6x n LEU 152 Cb 0.53 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.50 1a6x n LEU 152 CO 0.48 0.00 -0.52 -0.69 -1.33 0.00 0.00 177.39 175.33 1a6x s VAL 153 N 0.00 1.94 -0.21 4.08 1.01 -1.22 -2.03 120.40 123.96 1a6x s VAL 153 Ca 0.00 -1.78 -0.03 0.00 0.00 0.00 0.00 61.98 60.17 1a6x s VAL 153 Cb 0.00 -1.81 -0.00 0.00 0.00 0.00 0.00 36.38 34.56 1a6x s VAL 153 CO 0.00 -0.13 -0.07 -0.69 0.00 0.00 0.00 175.10 174.21 1a6x s VAL 154 N -1.52 3.13 0.31 2.92 1.01 0.98 -0.13 120.40 127.11 1a6x s VAL 154 Ca 0.13 -0.58 0.09 0.00 0.00 0.00 0.00 61.98 61.62 1a6x s VAL 154 Cb -0.08 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 1a6x s VAL 154 CO 0.06 0.45 0.08 -0.63 0.00 0.00 0.00 175.10 175.06 1a6x s ILE 155 N 1.40 3.17 -2.82 2.22 1.09 -0.45 -0.31 121.20 125.51 1a6x s ILE 155 Ca 0.05 -1.79 0.23 0.00 -1.10 0.00 0.00 60.65 58.04 1a6x s ILE 155 Cb -0.14 -2.93 0.18 0.00 -1.06 0.00 0.00 42.46 38.51 1a6x s ILE 155 CO -0.05 -0.25 1.21 1.21 -0.10 0.00 0.00 174.94 176.96