#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a6x n GLU 71 N 0.00 2.23 -0.18 2.12 -0.58 -0.78 -4.88 120.64 118.56 1a6x n GLU 71 Ca 0.00 0.78 -0.06 0.00 -0.42 0.00 0.00 57.16 57.46 1a6x n GLU 71 Cb 0.00 -2.41 -0.00 0.00 -0.57 0.00 0.00 31.44 28.46 1a6x n GLU 71 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1a6x h ALA 72 N 2.96 -0.09 0.00 0.62 0.00 -2.00 -1.77 119.26 118.98 1a6x h ALA 72 Ca -0.47 0.15 -0.44 0.00 0.00 0.00 0.00 54.91 54.15 1a6x h ALA 72 Cb 1.27 0.78 0.01 0.00 0.00 0.00 0.00 17.79 19.85 1a6x h ALA 72 CO 0.65 -0.70 2.61 -0.35 0.00 0.00 0.00 179.25 181.47 1a6x n PRO 73 N -5.43 2.56 -0.77 0.00 -0.04 -1.26 -4.89 135.00 125.17 1a6x n PRO 73 Ca 0.03 -1.60 0.11 0.00 -0.04 0.00 0.00 63.50 61.99 1a6x n PRO 73 Cb 0.35 -2.48 -0.03 0.00 -0.04 0.00 0.00 33.50 31.30 1a6x n PRO 73 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a6x n ALA 74 N 3.73 -2.32 -0.75 0.55 0.00 -0.67 -4.98 120.51 116.07 1a6x n ALA 74 Ca 0.55 0.24 0.10 0.00 0.00 0.00 0.00 53.44 54.33 1a6x n ALA 74 Cb 0.25 -0.77 -0.03 0.00 0.00 0.00 0.00 19.45 18.91 1a6x n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a6x n ALA 75 N -1.29 -1.95 -3.19 0.00 0.00 -1.26 -3.96 120.51 108.86 1a6x n ALA 75 Ca 0.01 0.25 0.04 0.00 0.00 0.00 0.00 53.44 53.73 1a6x n ALA 75 Cb 0.35 -0.68 -0.01 0.00 0.00 0.00 0.00 19.45 19.11 1a6x n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a6x s ALA 76 N -1.74 -2.44 -0.06 0.00 0.00 -1.26 -1.87 121.76 114.38 1a6x s ALA 76 Ca 0.00 1.82 -0.30 0.00 0.00 0.00 0.00 51.96 53.48 1a6x s ALA 76 Cb 0.00 -2.19 0.10 0.00 0.00 0.00 0.00 23.12 21.03 1a6x s ALA 76 CO 0.00 -1.31 1.34 -2.00 0.00 0.00 0.00 175.76 173.79 1a6x s GLU 77 N 2.87 0.17 0.47 0.00 2.12 -1.26 -4.63 118.70 118.43 1a6x s GLU 77 Ca 0.15 -0.11 0.00 0.00 0.36 0.00 0.00 54.97 55.37 1a6x s GLU 77 Cb -0.14 0.05 0.00 0.00 0.26 0.00 0.00 34.13 34.30 1a6x s GLU 77 CO -0.19 -0.08 0.00 -0.89 -0.54 0.00 0.00 175.26 173.56 1a6x n ILE 78 N -0.92 -1.45 -3.02 -3.70 2.08 -1.00 -4.74 119.36 106.61 1a6x n ILE 78 Ca 0.04 0.92 -0.16 0.00 0.56 0.00 0.00 62.75 64.12 1a6x n ILE 78 Cb 0.59 -1.47 0.04 0.00 -0.75 0.00 0.00 39.64 38.05 1a6x n ILE 78 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 1a6x n SER 79 N -3.13 -4.80 -3.79 4.38 7.64 -1.26 -4.93 113.62 107.72 1a6x n SER 79 Ca -0.04 -0.28 -0.34 0.00 1.01 0.00 0.00 58.87 59.22 1a6x n SER 79 Cb 0.46 -3.52 0.04 0.00 -1.01 0.00 0.00 64.21 60.17 1a6x n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a6x n GLY 80 N -1.40 -4.29 3.76 0.23 0.00 -1.03 -4.92 105.19 97.54 1a6x n GLY 80 Ca -0.03 -0.70 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 1a6x n GLY 80 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1a6x s HIS 81 N -1.89 2.09 -0.10 1.61 3.76 0.14 -4.89 115.29 116.01 1a6x s HIS 81 Ca 0.39 -0.81 -0.03 0.00 -0.15 0.00 0.00 55.06 54.46 1a6x s HIS 81 Cb -0.20 -1.77 0.04 0.00 1.11 0.00 0.00 32.58 31.77 1a6x s HIS 81 CO 0.77 0.14 0.06 0.42 -0.85 0.00 0.00 174.74 175.27 1a6x s ILE 82 N -2.77 0.05 -0.30 0.60 1.09 -1.26 -0.89 121.20 117.72 1a6x s ILE 82 Ca 0.23 0.09 -0.28 0.00 -1.10 0.00 0.00 60.65 59.59 1a6x s ILE 82 Cb 0.03 -0.44 0.01 0.00 -1.06 0.00 0.00 42.46 41.00 1a6x s ILE 82 CO 0.13 0.01 1.03 -0.69 -0.10 0.00 0.00 174.94 175.32 1a6x s VAL 83 N 2.09 4.59 -0.26 2.92 1.01 -0.54 -4.95 120.40 125.26 1a6x s VAL 83 Ca 0.03 1.74 -0.08 0.00 0.00 0.00 0.00 61.98 63.67 1a6x s VAL 83 Cb -0.14 -4.36 -0.03 0.00 0.00 0.00 0.00 36.38 31.85 1a6x s VAL 83 CO -0.06 -0.38 0.11 -0.13 0.00 0.00 0.00 175.10 174.64 1a6x s ARG 84 N 3.45 3.70 -0.94 2.72 0.52 -1.26 0.18 118.95 127.32 1a6x s ARG 84 Ca 0.43 -0.46 -0.28 0.00 -0.52 0.00 0.00 55.73 54.91 1a6x s ARG 84 Cb -0.13 -3.43 -0.21 0.00 0.52 0.00 0.00 34.95 31.69 1a6x s ARG 84 CO 0.13 -0.21 2.52 0.45 0.02 0.00 0.00 175.30 178.21 1a6x n SER 85 N 4.97 0.19 0.00 0.23 2.88 0.13 -4.67 113.62 117.34 1a6x n SER 85 Ca -0.15 0.13 0.12 0.00 -1.33 0.00 0.00 58.87 57.64 1a6x n SER 85 Cb 0.51 -0.85 0.69 0.00 -0.75 0.00 0.00 64.21 63.82 1a6x n SER 85 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1a6x n PRO 86 N 7.87 0.75 -3.41 -1.46 -0.04 -1.26 -3.64 135.00 133.81 1a6x n PRO 86 Ca 0.62 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 64.10 1a6x n PRO 86 Cb 0.03 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 31.98 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 0.57 0.50 0.54 1.75 -1.26 -5.04 119.30 114.36 1a6x s MET 87 Ca 0.35 1.24 -0.22 0.00 -1.25 0.00 0.00 55.69 55.80 1a6x s MET 87 Cb 0.16 0.71 -0.07 0.00 2.84 0.00 0.00 34.83 38.47 1a6x s MET 87 CO 0.27 -0.40 1.15 0.28 -0.65 0.00 0.00 175.02 175.67 1a6x n VAL 88 N 5.44 3.15 0.00 10.11 0.31 -1.26 -4.69 118.33 131.39 1a6x n VAL 88 Ca -0.07 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.76 1a6x n VAL 88 Cb 0.50 -1.38 0.00 0.00 -0.91 0.00 0.00 33.84 32.05 1a6x n VAL 88 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a6x n GLY 89 N 1.01 -0.03 3.36 2.92 0.00 -0.53 -4.71 105.19 107.21 1a6x n GLY 89 Ca 0.10 -0.17 -0.18 0.00 0.00 0.00 0.00 46.02 45.76 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 1.12 -0.02 2.61 2.01 -0.07 -0.33 115.64 120.95 1a6x s THR 90 Ca 0.00 -2.04 0.01 0.00 0.31 0.00 0.00 61.69 59.97 1a6x s THR 90 Cb 0.00 -2.46 0.02 0.00 0.01 0.00 0.00 72.50 70.07 1a6x s THR 90 CO 0.00 -0.24 -0.01 0.12 -0.69 0.00 0.00 174.62 173.79 1a6x s PHE 91 N -3.36 0.31 0.13 4.92 2.19 0.10 -0.96 117.98 121.31 1a6x s PHE 91 Ca 0.31 -0.02 0.07 0.00 0.33 0.00 0.00 56.93 57.61 1a6x s PHE 91 Cb 0.06 -0.33 -0.04 0.00 -1.31 0.00 0.00 43.02 41.41 1a6x s PHE 91 CO 0.11 -0.08 -0.17 0.71 1.83 0.00 0.00 175.22 177.61 1a6x s TYR 92 N 0.61 1.61 -0.48 10.12 2.02 0.27 -0.11 117.35 131.38 1a6x s TYR 92 Ca -0.06 -0.49 0.17 0.00 -0.37 0.00 0.00 57.07 56.32 1a6x s TYR 92 Cb -0.09 -0.84 -0.22 0.00 -0.40 0.00 0.00 41.96 40.41 1a6x s TYR 92 CO -0.01 0.22 0.58 0.54 -1.57 0.00 0.00 175.55 175.30 1a6x n ARG 93 N 0.61 1.11 -4.13 -0.62 5.12 -1.26 -1.20 116.66 116.28 1a6x n ARG 93 Ca -0.16 -0.06 -0.12 0.00 -1.93 0.00 0.00 57.85 55.58 1a6x n ARG 93 Cb 0.56 -1.34 -0.11 0.00 -1.16 0.00 0.00 32.46 30.42 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 -2.82 0.68 -0.95 0.55 -4.23 -1.26 -1.48 115.64 106.12 1a6x s THR 94 Ca 0.01 -1.57 0.22 0.00 -1.18 0.00 0.00 61.69 59.17 1a6x s THR 94 Cb 0.12 -1.24 0.19 0.00 1.34 0.00 0.00 72.50 72.91 1a6x s THR 94 CO 0.70 -0.64 1.70 -0.81 -0.54 0.00 0.00 174.62 175.03 1a6x n PRO 95 N 0.61 0.03 -3.84 3.99 -0.04 -1.26 -4.86 135.00 129.62 1a6x n PRO 95 Ca -0.17 0.15 -0.08 0.00 -0.04 0.00 0.00 63.50 63.36 1a6x n PRO 95 Cb 0.58 -1.54 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 1a6x n PRO 95 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1a6x s SER 96 N -3.16 -0.10 0.16 3.54 0.01 -1.26 -4.98 113.70 107.91 1a6x s SER 96 Ca 0.10 -0.90 -0.01 0.00 1.31 0.00 0.00 55.95 56.45 1a6x s SER 96 Cb 0.14 0.79 -0.01 0.00 0.21 0.00 0.00 66.02 67.15 1a6x s SER 96 CO 0.41 -1.52 1.38 1.55 0.41 0.00 0.00 173.24 175.47 1a6x h PRO 97 N 2.01 0.33 -0.26 12.44 0.13 -1.97 -3.17 132.00 141.51 1a6x h PRO 97 Ca -0.26 -0.33 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 1a6x h PRO 97 Cb 1.25 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1a6x h PRO 97 CO 0.32 1.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.85 1a6x n ASP 98 N -3.75 3.89 -4.92 1.44 9.92 -1.26 -4.99 116.55 116.88 1a6x n ASP 98 Ca -0.05 -3.01 -0.30 0.00 -0.53 0.00 0.00 54.79 50.90 1a6x n ASP 98 Cb 0.78 -0.54 -0.04 0.00 -0.64 0.00 0.00 41.12 40.67 1a6x n ASP 98 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1a6x s ALA 99 N -2.82 3.95 1.13 2.24 0.00 -1.20 -5.08 121.76 119.98 1a6x s ALA 99 Ca 0.42 -0.80 -0.18 0.00 0.00 0.00 0.00 51.96 51.40 1a6x s ALA 99 Cb 0.34 -1.90 0.13 0.00 0.00 0.00 0.00 23.12 21.68 1a6x s ALA 99 CO 0.09 0.74 0.07 1.63 0.00 0.00 0.00 175.76 178.29 1a6x n LYS 100 N 0.10 -1.80 -3.96 0.00 5.02 -1.26 -4.68 118.16 111.58 1a6x n LYS 100 Ca -0.05 -0.51 -0.36 0.00 -2.02 0.00 0.00 58.31 55.37 1a6x n LYS 100 Cb 0.52 -1.70 -0.07 0.00 -0.02 0.00 0.00 35.03 33.75 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 -2.22 3.72 0.26 7.82 0.00 -1.26 -4.22 121.76 125.85 1a6x s ALA 101 Ca 0.55 -0.68 -0.04 0.00 0.00 0.00 0.00 51.96 51.79 1a6x s ALA 101 Cb -0.12 -1.90 0.31 0.00 0.00 0.00 0.00 23.12 21.41 1a6x s ALA 101 CO 0.64 0.53 1.87 0.74 0.00 0.00 0.00 175.76 179.53 1a6x h PHE 102 N 5.33 1.10 -1.90 0.00 0.04 -1.60 -3.40 116.94 116.51 1a6x h PHE 102 Ca -0.51 -0.04 -0.21 0.00 2.80 0.00 0.00 57.97 60.01 1a6x h PHE 102 Cb 1.21 -0.35 -0.30 0.00 2.20 0.00 0.00 35.95 38.71 1a6x h PHE 102 CO 0.70 0.78 -0.55 0.42 -0.60 0.00 0.00 178.31 179.07 1a6x s ILE 103 N -5.68 -0.56 -0.02 -0.55 1.09 -1.26 -4.87 121.20 109.35 1a6x s ILE 103 Ca -0.12 -0.26 -0.22 0.00 -1.10 0.00 0.00 60.65 58.96 1a6x s ILE 103 Cb 0.17 -0.92 -0.05 0.00 -1.06 0.00 0.00 42.46 40.60 1a6x s ILE 103 CO 0.81 -0.27 0.65 -1.61 -0.10 0.00 0.00 174.94 174.42 1a6x s GLU 104 N 2.49 4.38 -0.49 2.79 0.41 -1.26 -4.95 118.70 122.08 1a6x s GLU 104 Ca 0.10 0.81 -0.46 0.00 -0.41 0.00 0.00 54.97 55.02 1a6x s GLU 104 Cb -0.14 -3.38 -0.19 0.00 -1.78 0.00 0.00 34.13 28.64 1a6x s GLU 104 CO -0.25 0.25 1.77 0.28 -0.49 0.00 0.00 175.26 176.82 1a6x n VAL 105 N 3.10 0.01 0.00 2.63 0.31 -1.26 -1.37 118.33 121.76 1a6x n VAL 105 Ca -0.05 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1a6x n VAL 105 Cb 0.51 -0.54 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 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 5.04 1.66 3.46 2.92 0.00 -1.26 -5.12 105.19 111.89 1a6x n GLY 106 Ca 0.38 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.38 1.63 0.48 1.61 0.74 -0.47 -5.02 119.66 118.26 1a6x s GLN 107 Ca 0.00 -1.84 0.05 0.00 0.05 0.00 0.00 55.36 53.62 1a6x s GLN 107 Cb 0.00 -1.28 -0.01 0.00 1.10 0.00 0.00 33.01 32.82 1a6x s GLN 107 CO 0.00 0.04 0.22 0.15 -0.55 0.00 0.00 175.29 175.15 1a6x s LYS 108 N -3.71 2.23 -0.01 1.67 1.02 -1.26 -2.15 119.74 117.53 1a6x s LYS 108 Ca 0.31 -2.02 -0.19 0.00 0.02 0.00 0.00 55.97 54.09 1a6x s LYS 108 Cb 0.04 -1.93 0.04 0.00 -0.52 0.00 0.00 37.83 35.46 1a6x s LYS 108 CO 0.13 -0.34 0.41 0.14 -0.92 0.00 0.00 175.35 174.77 1a6x s VAL 109 N -2.72 0.05 0.02 3.17 -7.23 0.61 -4.97 120.40 109.33 1a6x s VAL 109 Ca 0.31 -0.38 0.01 0.00 -1.81 0.00 0.00 61.98 60.12 1a6x s VAL 109 Cb 0.01 -0.76 -0.02 0.00 0.56 0.00 0.00 36.38 36.17 1a6x s VAL 109 CO 0.18 -0.21 -0.06 0.20 -0.31 0.00 0.00 175.10 174.90 1a6x s ASN 110 N -1.44 0.62 -0.55 4.85 -0.87 -1.26 -1.07 114.94 115.22 1a6x s ASN 110 Ca -0.11 -0.38 -0.42 0.00 -1.57 0.00 0.00 52.86 50.38 1a6x s ASN 110 Cb -0.03 0.02 -0.19 0.00 -0.02 0.00 0.00 41.25 41.02 1a6x s ASN 110 CO 0.04 -0.13 2.20 0.52 -2.57 0.00 0.00 177.10 177.16 1a6x n VAL 111 N 2.01 0.01 0.00 1.60 0.31 -1.26 0.28 118.33 121.28 1a6x n VAL 111 Ca -0.19 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 1a6x n VAL 111 Cb 0.56 -0.54 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 7.37 1.53 3.83 2.92 0.00 -1.26 -5.04 105.19 114.53 1a6x n GLY 112 Ca 0.56 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.37 6.60 1.16 1.61 1.01 0.14 -4.88 116.67 120.94 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 -2.17 0.20 0.00 1.01 0.00 0.00 42.92 41.95 1a6x s ASP 113 CO 0.00 0.31 0.37 0.41 0.21 0.00 0.00 175.17 176.47 1a6x n THR 114 N 2.20 0.00 0.00 -1.27 -1.04 -1.26 -0.83 114.28 112.07 1a6x n THR 114 Ca -0.16 -0.21 0.00 0.00 -2.04 0.00 0.00 64.05 61.64 1a6x n THR 114 Cb 0.53 -0.69 0.00 0.00 -1.82 0.00 0.00 70.33 68.35 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 -2.72 0.16 0.00 -4.42 7.94 0.43 -4.27 117.00 114.13 1a6x n LEU 115 Ca 0.04 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.94 1a6x n LEU 115 Cb 0.53 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.48 1a6x n LEU 115 CO 0.43 -0.25 0.00 0.00 -1.11 0.00 0.00 177.39 176.46 1a6x s ILE 117 N -2.23 0.92 -0.04 0.00 1.01 -0.34 0.18 121.20 120.69 1a6x s ILE 117 Ca 0.00 -1.48 0.01 0.00 0.00 0.00 0.00 60.65 59.18 1a6x s ILE 117 Cb 0.00 -1.18 0.02 0.00 0.01 0.00 0.00 42.46 41.30 1a6x s ILE 117 CO 0.00 -0.46 -0.06 -0.69 0.00 0.00 0.00 174.94 173.73 1a6x s VAL 118 N -2.03 0.61 -0.21 2.92 1.01 0.12 -0.56 120.40 122.26 1a6x s VAL 118 Ca 0.01 -0.20 -0.11 0.00 0.00 0.00 0.00 61.98 61.69 1a6x s VAL 118 Cb -0.05 -0.60 -0.05 0.00 0.00 0.00 0.00 36.38 35.68 1a6x s VAL 118 CO 0.01 0.23 0.15 -0.70 0.00 0.00 0.00 175.10 174.79 1a6x s GLU 119 N 0.67 4.16 -0.03 2.72 2.12 -0.13 0.22 118.70 128.43 1a6x s GLU 119 Ca -0.09 -0.20 -0.23 0.00 0.36 0.00 0.00 54.97 54.80 1a6x s GLU 119 Cb -0.13 -3.45 0.05 0.00 0.26 0.00 0.00 34.13 30.86 1a6x s GLU 119 CO 0.01 0.23 0.50 0.00 -0.54 0.00 0.00 175.26 175.45 1a6x s ALA 120 N 0.57 -1.29 -1.24 6.30 0.00 -0.31 -0.89 121.76 124.89 1a6x s ALA 120 Ca 0.09 0.84 0.00 0.00 0.00 0.00 0.00 51.96 52.89 1a6x s ALA 120 Cb -0.12 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.03 1a6x s ALA 120 CO 0.00 -0.32 0.00 -1.33 0.00 0.00 0.00 175.76 174.12 1a6x n MET 121 N 1.11 -1.78 -3.17 0.00 2.81 -1.26 0.14 117.12 114.97 1a6x n MET 121 Ca -0.20 0.70 -0.15 0.00 -1.81 0.00 0.00 57.70 56.24 1a6x n MET 121 Cb 0.56 -5.14 0.06 0.00 -0.71 0.00 0.00 33.22 27.99 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 -2.39 -5.16 -3.75 0.03 5.02 -1.26 -5.02 118.16 105.62 1a6x n LYS 122 Ca -0.14 0.56 -0.13 0.00 -2.02 0.00 0.00 58.31 56.57 1a6x n LYS 122 Cb 0.53 -4.77 -0.09 0.00 -0.02 0.00 0.00 35.03 30.68 1a6x n LYS 122 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1a6x s MET 123 N -5.66 0.61 0.00 1.97 -1.94 0.12 -5.14 119.30 109.25 1a6x s MET 123 Ca 0.30 0.01 -0.27 0.00 -1.71 0.00 0.00 55.69 54.02 1a6x s MET 123 Cb -0.13 0.27 -0.04 0.00 2.01 0.00 0.00 34.83 36.94 1a6x s MET 123 CO 0.49 -0.15 0.86 -1.64 -0.01 0.00 0.00 175.02 174.57 1a6x s MET 124 N -0.90 4.53 -0.30 2.03 -1.94 -1.26 -1.17 119.30 120.30 1a6x s MET 124 Ca -0.10 1.20 -0.01 0.00 -1.71 0.00 0.00 55.69 55.07 1a6x s MET 124 Cb -0.04 -3.43 0.10 0.00 2.01 0.00 0.00 34.83 33.46 1a6x s MET 124 CO 0.03 0.08 0.09 -0.80 -0.01 0.00 0.00 175.02 174.41 1a6x s ASN 125 N 0.63 3.91 0.79 3.03 0.01 0.13 -4.98 114.94 118.46 1a6x s ASN 125 Ca 0.45 -1.54 -0.12 0.00 -0.71 0.00 0.00 52.86 50.94 1a6x s ASN 125 Cb -0.20 -0.83 0.07 0.00 0.41 0.00 0.00 41.25 40.70 1a6x s ASN 125 CO 0.24 -0.40 1.14 -1.10 -1.51 0.00 0.00 177.10 175.47 1a6x s GLN 126 N 1.65 1.91 -0.16 -0.60 -0.21 -1.26 0.15 119.66 121.15 1a6x s GLN 126 Ca 0.08 1.47 -0.00 0.00 0.02 0.00 0.00 55.36 56.93 1a6x s GLN 126 Cb -0.17 -1.83 0.04 0.00 1.00 0.00 0.00 33.01 32.04 1a6x s GLN 126 CO -0.24 -1.95 -0.06 0.42 -2.12 0.00 0.00 175.29 171.35 1a6x s ILE 127 N -2.50 1.12 0.37 1.08 1.01 0.13 -4.79 121.20 117.61 1a6x s ILE 127 Ca 0.67 -0.59 -0.11 0.00 0.00 0.00 0.00 60.65 60.61 1a6x s ILE 127 Cb -0.22 -1.27 -0.07 0.00 0.01 0.00 0.00 42.46 40.91 1a6x s ILE 127 CO 0.52 0.16 0.75 -0.70 0.00 0.00 0.00 174.94 175.67 1a6x s GLU 128 N 1.64 3.84 0.38 2.79 2.12 -1.26 -0.43 118.70 127.77 1a6x s GLU 128 Ca 0.01 0.50 -0.27 0.00 0.36 0.00 0.00 54.97 55.57 1a6x s GLU 128 Cb -0.15 -2.42 -0.10 0.00 0.26 0.00 0.00 34.13 31.72 1a6x s GLU 128 CO -0.08 0.04 1.39 0.00 -0.54 0.00 0.00 175.26 176.06 1a6x s ALA 129 N -2.24 3.43 -0.14 6.30 0.00 -0.01 -4.74 121.76 124.37 1a6x s ALA 129 Ca 0.52 1.39 0.17 0.00 0.00 0.00 0.00 51.96 54.04 1a6x s ALA 129 Cb -0.10 -3.54 0.30 0.00 0.00 0.00 0.00 23.12 19.77 1a6x s ALA 129 CO 0.27 -0.91 1.15 -0.40 0.00 0.00 0.00 175.76 175.87 1a6x n ASP 130 N 0.38 2.14 0.00 0.00 5.75 -1.26 -4.25 116.55 119.30 1a6x n ASP 130 Ca 0.02 -3.16 0.00 0.00 -0.01 0.00 0.00 54.79 51.64 1a6x n ASP 130 Cb 0.41 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 1a6x n ASP 130 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1a6x n LYS 131 N -1.31 0.00 -1.51 0.11 5.02 -1.26 -5.06 118.16 114.14 1a6x n LYS 131 Ca 0.16 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 56.06 1a6x n LYS 131 Cb 0.65 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.70 1a6x n LYS 131 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1a6x n SER 132 N 0.00 -0.41 0.00 4.39 3.41 -1.26 -4.85 113.62 114.90 1a6x n SER 132 Ca 0.00 0.79 0.00 0.00 -0.26 0.00 0.00 58.87 59.40 1a6x n SER 132 Cb 0.00 -1.24 0.00 0.00 -0.26 0.00 0.00 64.21 62.71 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 1.62 -1.65 3.63 5.00 0.00 -0.23 -4.16 105.19 109.39 1a6x n GLY 133 Ca 0.12 -1.09 -0.25 0.00 0.00 0.00 0.00 46.02 44.80 1a6x n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a6x s THR 134 N -2.52 2.50 1.00 2.61 2.01 -1.26 -0.29 115.64 119.69 1a6x s THR 134 Ca 0.00 -1.99 -0.14 0.00 0.31 0.00 0.00 61.69 59.87 1a6x s THR 134 Cb 0.00 -2.80 0.07 0.00 0.01 0.00 0.00 72.50 69.77 1a6x s THR 134 CO 0.00 -0.17 0.35 0.55 -0.69 0.00 0.00 174.62 174.66 1a6x n VAL 135 N -0.95 0.00 0.00 3.82 3.14 -0.91 0.18 118.33 123.61 1a6x n VAL 135 Ca -0.04 -0.22 0.00 0.00 -2.96 0.00 0.00 64.34 61.12 1a6x n VAL 135 Cb 0.63 -0.65 0.00 0.00 -1.06 0.00 0.00 33.84 32.76 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 -2.03 0.00 0.00 1.45 0.00 -0.48 -3.71 118.16 113.39 1a6x n LYS 136 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.36 1a6x n LYS 136 Cb 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 35.03 35.58 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 -2.47 0.00 -3.03 3.14 0.00 0.27 -4.96 120.51 113.45 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 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 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 -0.31 4.25 -0.06 0.00 1.09 -1.26 0.19 121.20 125.10 1a6x s ILE 138 Ca 0.00 -0.64 -0.17 0.00 -1.10 0.00 0.00 60.65 58.74 1a6x s ILE 138 Cb 0.00 -3.21 -0.30 0.00 -1.06 0.00 0.00 42.46 37.88 1a6x s ILE 138 CO 0.00 0.02 0.74 -0.07 -0.10 0.00 0.00 174.94 175.54 1a6x h LEU 139 N 8.30 0.52-10.03 2.97 3.38 -1.69 -3.46 115.31 115.30 1a6x h LEU 139 Ca -0.30 -0.91 -0.46 0.00 0.09 0.00 0.00 57.88 56.30 1a6x h LEU 139 Cb 1.13 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1a6x h LEU 139 CO 0.61 1.59 0.27 0.54 0.09 0.00 0.00 178.44 181.54 1a6x s VAL 140 N -2.50 4.47 0.34 1.22 0.11 -0.59 -5.07 120.40 118.38 1a6x s VAL 140 Ca -0.16 1.35 0.07 0.00 -2.93 0.00 0.00 61.98 60.32 1a6x s VAL 140 Cb 0.03 -3.64 -0.02 0.00 -1.53 0.00 0.00 36.38 31.22 1a6x s VAL 140 CO 0.83 -0.24 0.32 -0.70 -3.33 0.00 0.00 175.10 171.98 1a6x s GLU 141 N -3.02 2.78 -0.99 1.54 -6.30 -1.26 -4.96 118.70 106.48 1a6x s GLU 141 Ca 0.58 -1.26 -0.24 0.00 -2.50 0.00 0.00 54.97 51.56 1a6x s GLU 141 Cb -0.10 -2.53 -0.02 0.00 0.00 0.00 0.00 34.13 31.48 1a6x s GLU 141 CO 0.15 0.07 1.82 -1.54 0.02 0.00 0.00 175.26 175.79 1a6x s SER 142 N -4.03 5.53 0.00 -1.70 1.04 -1.26 -1.60 113.70 111.68 1a6x s SER 142 Ca 0.42 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.76 1a6x s SER 142 Cb -0.06 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.49 1a6x s SER 142 CO 0.27 -2.42 0.00 0.61 0.98 0.00 0.00 173.24 172.68 1a6x n GLY 143 N 6.64 1.30 3.78 7.32 0.00 0.84 -4.85 105.19 120.22 1a6x n GLY 143 Ca 0.40 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.07 1a6x n GLY 143 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1a6x s GLN 144 N 0.00 3.44 0.80 1.61 0.74 -0.63 -4.68 119.66 120.94 1a6x s GLN 144 Ca 0.00 1.52 -0.11 0.00 0.05 0.00 0.00 55.36 56.81 1a6x s GLN 144 Cb 0.00 -2.03 0.07 0.00 1.10 0.00 0.00 33.01 32.15 1a6x s GLN 144 CO 0.00 -0.76 1.10 -1.25 -0.55 0.00 0.00 175.29 173.83 1a6x s PRO 145 N -3.35 2.10 0.05 1.67 0.04 -1.26 -0.72 135.00 133.53 1a6x s PRO 145 Ca 0.71 0.64 -0.04 0.00 0.04 0.00 0.00 61.00 62.35 1a6x s PRO 145 Cb -0.21 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 1a6x s PRO 145 CO 0.26 -1.61 0.05 0.14 0.04 0.00 0.00 177.00 175.88 1a6x s VAL 146 N -3.16 0.17 0.10 -0.36 -7.23 0.55 -4.71 120.40 105.76 1a6x s VAL 146 Ca 0.61 -1.42 0.02 0.00 -1.81 0.00 0.00 61.98 59.37 1a6x s VAL 146 Cb -0.14 -1.22 -0.04 0.00 0.56 0.00 0.00 36.38 35.54 1a6x s VAL 146 CO 0.54 -0.78 -0.07 -1.61 -0.31 0.00 0.00 175.10 172.87 1a6x s GLU 147 N -3.37 0.85 0.21 4.82 2.02 -1.26 -1.45 118.70 120.52 1a6x s GLU 147 Ca 0.02 -1.35 -0.31 0.00 0.02 0.00 0.00 54.97 53.35 1a6x s GLU 147 Cb 0.04 -0.24 -0.10 0.00 0.10 0.00 0.00 34.13 33.93 1a6x s GLU 147 CO -0.08 -0.01 1.55 0.12 0.02 0.00 0.00 175.26 176.86 1a6x s PHE 148 N -3.60 3.00 0.00 1.61 5.36 -1.26 -1.05 117.98 122.04 1a6x s PHE 148 Ca 0.12 0.73 0.00 0.00 -0.96 0.00 0.00 56.93 56.82 1a6x s PHE 148 Cb 0.05 -3.94 0.00 0.00 -0.34 0.00 0.00 43.02 38.80 1a6x s PHE 148 CO -0.04 -3.32 0.00 -0.40 -1.46 0.00 0.00 175.22 170.00 1a6x n ASP 149 N 3.30 0.00 -4.79 6.13 5.75 -1.24 -5.01 116.55 120.69 1a6x n ASP 149 Ca 0.11 0.00 -0.37 0.00 -0.01 0.00 0.00 54.79 54.53 1a6x n ASP 149 Cb 0.39 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.41 1a6x n ASP 149 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1a6x s GLU 150 N -0.25 4.52 0.61 0.11 -6.30 -0.21 -4.86 118.70 112.32 1a6x s GLU 150 Ca 0.00 1.26 -0.15 0.00 -2.50 0.00 0.00 54.97 53.58 1a6x s GLU 150 Cb 0.00 -2.77 -0.03 0.00 0.00 0.00 0.00 34.13 31.33 1a6x s GLU 150 CO 0.00 0.27 1.05 -1.25 0.02 0.00 0.00 175.26 175.35 1a6x s PRO 151 N -2.12 3.29 0.00 4.30 0.04 -1.26 0.22 135.00 139.47 1a6x s PRO 151 Ca 0.50 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.65 1a6x s PRO 151 Cb -0.18 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1a6x s PRO 151 CO 0.23 -0.82 0.00 1.28 0.04 0.00 0.00 177.00 177.72 1a6x n LEU 152 N -2.26 0.00 -4.07 -3.56 4.77 0.47 -4.65 117.00 107.69 1a6x n LEU 152 Ca 0.08 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.85 1a6x n LEU 152 Cb 0.53 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.47 1a6x n LEU 152 CO 0.49 0.00 -0.46 -0.69 -1.33 0.00 0.00 177.39 175.40 1a6x s VAL 153 N 0.00 0.99 -0.24 4.08 1.01 -1.24 -1.54 120.40 123.46 1a6x s VAL 153 Ca 0.00 -0.52 -0.13 0.00 0.00 0.00 0.00 61.98 61.33 1a6x s VAL 153 Cb 0.00 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.50 1a6x s VAL 153 CO 0.00 0.28 0.28 -0.69 0.00 0.00 0.00 175.10 174.97 1a6x s VAL 154 N -0.16 5.27 0.32 2.92 1.01 0.50 -1.47 120.40 128.79 1a6x s VAL 154 Ca 0.02 0.41 0.07 0.00 0.00 0.00 0.00 61.98 62.49 1a6x s VAL 154 Cb -0.06 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 1a6x s VAL 154 CO -0.00 0.27 0.26 -0.63 0.00 0.00 0.00 175.10 175.00 1a6x s ILE 155 N 1.44 3.65 -1.90 2.22 1.09 -0.07 -0.57 121.20 127.06 1a6x s ILE 155 Ca 0.12 -1.40 0.15 0.00 -1.10 0.00 0.00 60.65 58.42 1a6x s ILE 155 Cb -0.15 -3.20 0.12 0.00 -1.06 0.00 0.00 42.46 38.17 1a6x s ILE 155 CO 0.07 -0.21 0.98 1.21 -0.10 0.00 0.00 174.94 176.90