#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a6x h GLU 71 N 0.00 -0.29 -4.75 2.12 4.81 -2.14 -3.49 114.58 110.83 1a6x h GLU 71 Ca 0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1a6x h GLU 71 Cb 0.00 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1a6x h GLU 71 CO 0.00 -0.14 -0.59 0.00 -0.73 0.00 0.00 179.01 177.55 1a6x n ALA 72 N -2.74 -3.20 -1.65 2.92 0.00 -1.26 -4.99 120.51 109.60 1a6x n ALA 72 Ca -0.04 0.67 -0.32 0.00 0.00 0.00 0.00 53.44 53.75 1a6x n ALA 72 Cb 0.15 -1.93 0.02 0.00 0.00 0.00 0.00 19.45 17.69 1a6x n ALA 72 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1a6x s PRO 73 N -1.79 3.25 -0.34 0.00 0.04 -1.26 -5.03 135.00 129.86 1a6x s PRO 73 Ca 0.10 1.10 -0.07 0.00 0.04 0.00 0.00 61.00 62.17 1a6x s PRO 73 Cb -0.03 -2.03 0.21 0.00 0.04 0.00 0.00 34.50 32.69 1a6x s PRO 73 CO 0.62 -0.86 1.07 0.00 0.04 0.00 0.00 177.00 177.87 1a6x s ALA 74 N -2.67 -4.40 -0.90 8.56 0.00 -1.26 -5.08 121.76 116.01 1a6x s ALA 74 Ca 0.61 0.73 -0.25 0.00 0.00 0.00 0.00 51.96 53.06 1a6x s ALA 74 Cb -0.15 -2.98 -0.06 0.00 0.00 0.00 0.00 23.12 19.93 1a6x s ALA 74 CO 0.42 -2.51 2.00 0.00 0.00 0.00 0.00 175.76 175.67 1a6x s ALA 75 N 1.23 1.54 -0.30 0.00 0.00 -1.26 -4.78 121.76 118.20 1a6x s ALA 75 Ca 0.21 -1.44 -0.16 0.00 0.00 0.00 0.00 51.96 50.57 1a6x s ALA 75 Cb 0.10 -4.56 0.18 0.00 0.00 0.00 0.00 23.12 18.83 1a6x s ALA 75 CO -0.12 -4.96 1.11 0.00 0.00 0.00 0.00 175.76 171.79 1a6x s ALA 76 N 10.68 -2.69 -0.68 0.00 0.00 -1.26 -5.07 121.76 122.75 1a6x s ALA 76 Ca 0.73 2.03 0.04 0.00 0.00 0.00 0.00 51.96 54.75 1a6x s ALA 76 Cb -0.07 -1.98 0.34 0.00 0.00 0.00 0.00 23.12 21.40 1a6x s ALA 76 CO 0.01 -0.63 1.17 -0.85 0.00 0.00 0.00 175.76 175.46 1a6x n GLU 77 N 4.07 3.75 0.00 0.00 0.28 -1.26 -5.07 120.64 122.40 1a6x n GLU 77 Ca -0.13 -4.80 0.00 0.00 -0.16 0.00 0.00 57.16 52.07 1a6x n GLU 77 Cb 0.55 -2.29 0.00 0.00 1.43 0.00 0.00 31.44 31.13 1a6x n GLU 77 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 1a6x n ILE 78 N -0.22 0.00 -0.05 3.84 -0.00 -1.26 -4.52 119.36 117.15 1a6x n ILE 78 Ca 0.35 0.00 -0.04 0.00 -0.00 0.00 0.00 62.75 63.06 1a6x n ILE 78 Cb 0.37 0.00 -0.01 0.00 -0.00 0.00 0.00 39.64 40.00 1a6x n ILE 78 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 1a6x n SER 79 N -3.95 1.29 -4.10 7.28 3.41 -1.26 -4.98 113.62 111.31 1a6x n SER 79 Ca 0.00 0.45 -0.37 0.00 -0.26 0.00 0.00 58.87 58.69 1a6x n SER 79 Cb 0.00 -0.74 0.08 0.00 -0.26 0.00 0.00 64.21 63.29 1a6x n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a6x n GLY 80 N 1.61 -2.93 3.74 5.00 0.00 -1.26 -4.95 105.19 106.40 1a6x n GLY 80 Ca -0.06 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.08 2.30 -0.09 1.61 0.09 0.14 -4.89 115.29 112.36 1a6x s HIS 81 Ca 0.43 -0.72 -0.03 0.00 -0.00 0.00 0.00 55.06 54.74 1a6x s HIS 81 Cb 0.01 -1.84 0.04 0.00 -0.00 0.00 0.00 32.58 30.79 1a6x s HIS 81 CO 0.67 0.16 0.07 0.42 -0.00 0.00 0.00 174.74 176.06 1a6x s ILE 82 N -2.70 -0.04 -0.22 0.60 1.01 -1.26 -0.76 121.20 117.81 1a6x s ILE 82 Ca 0.31 0.16 -0.27 0.00 0.00 0.00 0.00 60.65 60.86 1a6x s ILE 82 Cb 0.04 -0.36 0.00 0.00 0.01 0.00 0.00 42.46 42.15 1a6x s ILE 82 CO 0.17 0.01 0.93 -0.69 0.00 0.00 0.00 174.94 175.36 1a6x s VAL 83 N 2.13 4.77 -0.26 2.92 1.01 -0.73 -4.95 120.40 125.29 1a6x s VAL 83 Ca 0.04 1.79 -0.07 0.00 0.00 0.00 0.00 61.98 63.74 1a6x s VAL 83 Cb -0.14 -4.21 -0.01 0.00 0.00 0.00 0.00 36.38 32.02 1a6x s VAL 83 CO -0.05 -0.11 0.07 -0.13 0.00 0.00 0.00 175.10 174.88 1a6x s ARG 84 N 2.90 3.45 -0.94 2.72 0.52 -1.26 0.15 118.95 126.49 1a6x s ARG 84 Ca 0.40 -0.62 -0.27 0.00 -0.52 0.00 0.00 55.73 54.72 1a6x s ARG 84 Cb -0.15 -3.33 -0.21 0.00 0.52 0.00 0.00 34.95 31.77 1a6x s ARG 84 CO 0.08 -0.28 2.49 0.43 0.02 0.00 0.00 175.30 178.03 1a6x n SER 85 N 4.90 0.15 0.00 0.23 7.64 0.14 -4.67 113.62 122.00 1a6x n SER 85 Ca -0.16 0.12 0.12 0.00 1.01 0.00 0.00 58.87 59.96 1a6x n SER 85 Cb 0.50 -0.83 0.69 0.00 -1.01 0.00 0.00 64.21 63.55 1a6x n SER 85 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1a6x n PRO 86 N 7.74 0.67 -3.66 1.43 -0.04 -1.26 -3.64 135.00 136.24 1a6x n PRO 86 Ca 0.62 0.01 -0.08 0.00 -0.04 0.00 0.00 63.50 64.01 1a6x n PRO 86 Cb 0.04 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.91 1a6x n PRO 86 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1a6x s MET 87 N -2.11 0.36 0.47 0.54 -1.94 -1.26 -5.00 119.30 110.36 1a6x s MET 87 Ca 0.33 1.06 -0.24 0.00 -1.71 0.00 0.00 55.69 55.13 1a6x s MET 87 Cb 0.16 0.35 -0.07 0.00 2.01 0.00 0.00 34.83 37.27 1a6x s MET 87 CO 0.29 -0.23 1.36 0.08 -0.01 0.00 0.00 175.02 176.51 1a6x s VAL 88 N 2.49 2.26 0.00 -6.03 1.01 -1.26 -4.71 120.40 114.16 1a6x s VAL 88 Ca -0.03 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.17 1a6x s VAL 88 Cb -0.11 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.14 1a6x s VAL 88 CO -0.14 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.60 1a6x n GLY 89 N 0.63 -0.15 3.33 4.51 0.00 -0.56 -4.70 105.19 108.24 1a6x n GLY 89 Ca 0.06 -0.10 -0.17 0.00 0.00 0.00 0.00 46.02 45.81 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 0.97 -0.02 2.61 2.01 0.12 -0.10 115.64 121.23 1a6x s THR 90 Ca 0.00 -2.02 0.01 0.00 0.31 0.00 0.00 61.69 59.98 1a6x s THR 90 Cb 0.00 -2.40 0.01 0.00 0.01 0.00 0.00 72.50 70.13 1a6x s THR 90 CO 0.00 -0.27 -0.02 0.12 -0.69 0.00 0.00 174.62 173.75 1a6x s PHE 91 N -3.46 0.38 0.23 4.92 2.19 -0.14 -0.32 117.98 121.78 1a6x s PHE 91 Ca 0.30 -0.05 0.07 0.00 0.33 0.00 0.00 56.93 57.58 1a6x s PHE 91 Cb 0.06 -0.36 -0.05 0.00 -1.31 0.00 0.00 43.02 41.36 1a6x s PHE 91 CO 0.09 -0.08 -0.11 0.71 1.83 0.00 0.00 175.22 177.66 1a6x s TYR 92 N 0.53 1.79 -0.30 10.12 2.02 0.37 0.11 117.35 132.00 1a6x s TYR 92 Ca -0.06 -0.63 0.10 0.00 -0.37 0.00 0.00 57.07 56.11 1a6x s TYR 92 Cb -0.09 -0.91 -0.13 0.00 -0.40 0.00 0.00 41.96 40.43 1a6x s TYR 92 CO -0.01 0.32 0.35 0.54 -1.57 0.00 0.00 175.55 175.18 1a6x n ARG 93 N -0.46 2.44 -4.11 -0.62 5.12 -1.26 -1.48 116.66 116.30 1a6x n ARG 93 Ca -0.07 -0.04 -0.11 0.00 -1.93 0.00 0.00 57.85 55.71 1a6x n ARG 93 Cb 0.62 -1.07 -0.11 0.00 -1.16 0.00 0.00 32.46 30.74 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 -2.23 0.54 -0.95 0.55 -4.23 -1.26 -1.34 115.64 106.72 1a6x s THR 94 Ca 0.01 -1.53 0.22 0.00 -1.18 0.00 0.00 61.69 59.21 1a6x s THR 94 Cb 0.07 -1.16 0.19 0.00 1.34 0.00 0.00 72.50 72.94 1a6x s THR 94 CO 0.42 -0.68 1.71 -0.81 -0.54 0.00 0.00 174.62 174.72 1a6x n PRO 95 N 0.65 0.03 -3.84 3.99 -0.04 -1.26 -4.86 135.00 129.67 1a6x n PRO 95 Ca -0.17 0.15 -0.08 0.00 -0.04 0.00 0.00 63.50 63.35 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 -3.18 -0.05 0.18 3.54 0.01 -1.26 -4.98 113.70 107.97 1a6x s SER 96 Ca 0.10 -0.97 0.03 0.00 1.31 0.00 0.00 55.95 56.42 1a6x s SER 96 Cb 0.14 0.79 0.07 0.00 0.21 0.00 0.00 66.02 67.23 1a6x s SER 96 CO 0.41 -1.54 1.43 1.55 0.41 0.00 0.00 173.24 175.50 1a6x h PRO 97 N 2.01 0.20 -0.17 12.44 0.13 -1.97 -3.19 132.00 141.45 1a6x h PRO 97 Ca -0.27 -0.19 -0.06 0.00 -0.87 0.00 0.00 66.00 64.61 1a6x h PRO 97 Cb 1.25 0.05 -0.04 0.00 0.13 0.00 0.00 31.00 32.39 1a6x h PRO 97 CO 0.34 0.90 -0.14 -3.47 -0.23 0.00 0.00 178.00 175.40 1a6x n ASP 98 N -3.71 2.55 -4.85 1.44 4.64 -1.26 -5.01 116.55 110.35 1a6x n ASP 98 Ca -0.03 -3.49 -0.28 0.00 -1.38 0.00 0.00 54.79 49.60 1a6x n ASP 98 Cb 0.75 -0.54 -0.05 0.00 -1.04 0.00 0.00 41.12 40.24 1a6x n ASP 98 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1a6x s ALA 99 N -3.07 3.76 1.13 -1.67 0.00 -1.21 -5.09 121.76 115.61 1a6x s ALA 99 Ca 0.40 -1.04 -0.18 0.00 0.00 0.00 0.00 51.96 51.14 1a6x s ALA 99 Cb 0.35 -1.58 0.13 0.00 0.00 0.00 0.00 23.12 22.02 1a6x s ALA 99 CO 0.01 0.65 0.10 1.63 0.00 0.00 0.00 175.76 178.14 1a6x n LYS 100 N -0.04 -1.84 -3.70 0.00 5.02 -1.26 -4.69 118.16 111.64 1a6x n LYS 100 Ca -0.07 -0.52 -0.36 0.00 -2.02 0.00 0.00 58.31 55.33 1a6x n LYS 100 Cb 0.53 -1.71 -0.07 0.00 -0.02 0.00 0.00 35.03 33.76 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 -2.23 3.72 0.29 7.82 0.00 -1.26 -4.17 121.76 125.93 1a6x s ALA 101 Ca 0.56 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.94 1a6x s ALA 101 Cb -0.12 -2.19 0.51 0.00 0.00 0.00 0.00 23.12 21.32 1a6x s ALA 101 CO 0.64 0.30 1.89 0.74 0.00 0.00 0.00 175.76 179.32 1a6x h PHE 102 N 6.04 1.10 -3.18 0.00 0.04 -1.53 -3.40 116.94 116.01 1a6x h PHE 102 Ca -0.46 0.03 -0.27 0.00 2.80 0.00 0.00 57.97 60.07 1a6x h PHE 102 Cb 1.18 -0.36 -0.34 0.00 2.20 0.00 0.00 35.95 38.63 1a6x h PHE 102 CO 0.65 0.55 -0.62 0.96 -0.60 0.00 0.00 178.31 179.24 1a6x s ILE 103 N -5.94 -0.16 -0.40 -0.55 -4.36 -1.26 -4.74 121.20 103.79 1a6x s ILE 103 Ca -0.12 0.27 -0.15 0.00 -0.26 0.00 0.00 60.65 60.40 1a6x s ILE 103 Cb 0.20 -0.26 0.01 0.00 1.25 0.00 0.00 42.46 43.67 1a6x s ILE 103 CO 0.80 0.11 0.32 -1.61 0.24 0.00 0.00 174.94 174.81 1a6x s GLU 104 N 1.75 3.09 -0.49 0.37 2.02 -1.26 -5.00 118.70 119.17 1a6x s GLU 104 Ca -0.03 -0.90 -0.46 0.00 0.02 0.00 0.00 54.97 53.61 1a6x s GLU 104 Cb -0.12 -3.95 -0.19 0.00 0.10 0.00 0.00 34.13 29.97 1a6x s GLU 104 CO -0.06 -0.71 1.81 0.28 0.02 0.00 0.00 175.26 176.60 1a6x n VAL 105 N 5.20 0.01 0.00 2.63 0.31 -1.26 -1.49 118.33 123.73 1a6x n VAL 105 Ca -0.11 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 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 5.33 1.90 3.64 2.92 0.00 -1.26 -5.10 105.19 112.62 1a6x n GLY 106 Ca 0.40 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.64 1.99 -0.28 1.61 0.74 -0.56 -5.07 119.66 117.46 1a6x s GLN 107 Ca 0.00 -2.15 -0.03 0.00 0.05 0.00 0.00 55.36 53.23 1a6x s GLN 107 Cb 0.00 -1.63 0.03 0.00 1.10 0.00 0.00 33.01 32.51 1a6x s GLN 107 CO 0.00 -0.09 0.00 0.15 -0.55 0.00 0.00 175.29 174.80 1a6x s LYS 108 N -3.73 2.81 -0.04 1.67 1.02 -1.26 -4.15 119.74 116.06 1a6x s LYS 108 Ca 0.31 -1.02 0.00 0.00 0.02 0.00 0.00 55.97 55.29 1a6x s LYS 108 Cb 0.09 -3.16 -0.03 0.00 -0.52 0.00 0.00 37.83 34.20 1a6x s LYS 108 CO 0.16 -0.47 0.00 0.14 -0.92 0.00 0.00 175.35 174.26 1a6x s VAL 109 N 1.36 4.22 0.07 3.17 -7.23 -0.44 -4.98 120.40 116.58 1a6x s VAL 109 Ca -0.00 -0.45 0.08 0.00 -1.81 0.00 0.00 61.98 59.79 1a6x s VAL 109 Cb -0.18 -2.83 -0.03 0.00 0.56 0.00 0.00 36.38 33.90 1a6x s VAL 109 CO -0.01 0.47 -0.21 0.20 -0.31 0.00 0.00 175.10 175.24 1a6x s ASN 110 N -1.28 2.52 -0.52 4.85 0.01 -1.26 -0.64 114.94 118.62 1a6x s ASN 110 Ca 0.17 -0.61 -0.43 0.00 -0.71 0.00 0.00 52.86 51.28 1a6x s ASN 110 Cb -0.11 -0.17 -0.19 0.00 0.41 0.00 0.00 41.25 41.18 1a6x s ASN 110 CO 0.07 0.11 2.17 0.55 -1.51 0.00 0.00 177.10 178.49 1a6x n VAL 111 N 1.45 0.00 0.00 1.60 3.14 -1.26 -0.55 118.33 122.71 1a6x n VAL 111 Ca -0.18 -0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.19 1a6x n VAL 111 Cb 0.53 -0.53 0.00 0.00 -1.06 0.00 0.00 33.84 32.79 1a6x n VAL 111 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1a6x n GLY 112 N 7.42 1.32 3.82 7.55 0.00 -1.23 -5.00 105.19 119.07 1a6x n GLY 112 Ca 0.55 0.00 -0.38 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 -0.86 6.66 1.23 1.61 1.01 0.29 -4.88 116.67 121.74 1a6x s ASP 113 Ca 0.00 0.79 -0.18 0.00 0.71 0.00 0.00 52.55 53.87 1a6x s ASP 113 Cb 0.00 -2.21 0.26 0.00 1.01 0.00 0.00 42.92 41.98 1a6x s ASP 113 CO 0.00 0.28 0.58 0.41 0.21 0.00 0.00 175.17 176.65 1a6x n THR 114 N 2.28 0.00 0.00 -1.27 -1.04 -1.26 -0.71 114.28 112.28 1a6x n THR 114 Ca -0.14 -0.13 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 1a6x n THR 114 Cb 0.53 -0.76 0.00 0.00 -1.82 0.00 0.00 70.33 68.27 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 -3.56 0.21 0.00 -4.42 7.94 0.26 -4.28 117.00 113.15 1a6x n LEU 115 Ca 0.07 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 54.98 1a6x n LEU 115 Cb 0.51 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.46 1a6x n LEU 115 CO 0.39 -0.23 0.33 0.00 -1.11 0.00 0.00 177.39 176.77 1a6x s ILE 117 N -2.15 1.96 -0.07 0.00 -1.09 -0.55 -0.35 121.20 118.95 1a6x s ILE 117 Ca 0.09 -2.26 -0.03 0.00 -2.23 0.00 0.00 60.65 56.23 1a6x s ILE 117 Cb -0.00 -2.19 0.04 0.00 -1.58 0.00 0.00 42.46 38.72 1a6x s ILE 117 CO 0.00 -0.49 0.14 -0.69 -1.23 0.00 0.00 174.94 172.67 1a6x s VAL 118 N -2.83 -0.14 0.00 2.92 1.01 0.95 -0.48 120.40 121.84 1a6x s VAL 118 Ca 0.26 0.27 -0.18 0.00 0.00 0.00 0.00 61.98 62.33 1a6x s VAL 118 Cb -0.01 -0.24 -0.06 0.00 0.00 0.00 0.00 36.38 36.07 1a6x s VAL 118 CO 0.10 0.11 0.50 -0.70 0.00 0.00 0.00 175.10 175.11 1a6x s GLU 119 N 1.65 4.14 0.23 2.72 2.12 0.56 -0.36 118.70 129.78 1a6x s GLU 119 Ca -0.04 0.57 0.04 0.00 0.36 0.00 0.00 54.97 55.90 1a6x s GLU 119 Cb -0.12 -3.28 -0.01 0.00 0.26 0.00 0.00 34.13 30.97 1a6x s GLU 119 CO -0.05 0.53 0.14 0.00 -0.54 0.00 0.00 175.26 175.34 1a6x n ALA 120 N 2.25 0.42 -1.47 6.30 0.00 0.51 0.12 120.51 128.64 1a6x n ALA 120 Ca -0.11 -1.27 -0.28 0.00 0.00 0.00 0.00 53.44 51.78 1a6x n ALA 120 Cb 0.51 0.95 -0.20 0.00 0.00 0.00 0.00 19.45 20.72 1a6x n ALA 120 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1a6x n MET 121 N -0.48 0.00 -4.20 0.00 2.81 -1.26 -0.61 117.12 113.38 1a6x n MET 121 Ca 0.01 0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.50 1a6x n MET 121 Cb 0.39 -1.16 -0.04 0.00 -0.71 0.00 0.00 33.22 31.70 1a6x n MET 121 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1a6x n LYS 122 N 6.46 -0.55 -3.51 0.03 3.00 -1.26 -4.91 118.16 117.41 1a6x n LYS 122 Ca 0.66 0.07 -0.17 0.00 -0.00 0.00 0.00 58.31 58.87 1a6x n LYS 122 Cb 0.10 -2.98 -0.06 0.00 0.00 0.00 0.00 35.03 32.09 1a6x n LYS 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1a6x s MET 123 N -7.46 1.06 -0.16 1.64 0.23 0.22 -5.15 119.30 109.67 1a6x s MET 123 Ca 0.26 0.19 -0.01 0.00 -1.03 0.00 0.00 55.69 55.11 1a6x s MET 123 Cb -0.15 0.50 -0.00 0.00 -1.53 0.00 0.00 34.83 33.65 1a6x s MET 123 CO 0.99 -0.34 -0.13 -1.64 -2.03 0.00 0.00 175.02 171.87 1a6x s MET 124 N -1.40 3.27 0.01 3.16 -1.94 -1.26 -0.36 119.30 120.77 1a6x s MET 124 Ca -0.10 -0.72 0.06 0.00 -1.71 0.00 0.00 55.69 53.23 1a6x s MET 124 Cb -0.00 -2.70 -0.03 0.00 2.01 0.00 0.00 34.83 34.11 1a6x s MET 124 CO 0.08 0.00 -0.17 -0.80 -0.01 0.00 0.00 175.02 174.11 1a6x s ASN 125 N 0.88 3.83 -0.08 3.03 0.01 0.52 -4.99 114.94 118.14 1a6x s ASN 125 Ca -0.04 -0.37 0.01 0.00 -0.71 0.00 0.00 52.86 51.76 1a6x s ASN 125 Cb -0.15 -0.66 -0.03 0.00 0.41 0.00 0.00 41.25 40.82 1a6x s ASN 125 CO -0.01 0.28 -0.07 -1.10 -1.51 0.00 0.00 177.10 174.69 1a6x s GLN 126 N -1.22 2.83 -0.31 -0.60 -0.21 -1.26 -0.03 119.66 118.85 1a6x s GLN 126 Ca 0.14 -0.56 -0.10 0.00 0.02 0.00 0.00 55.36 54.86 1a6x s GLN 126 Cb -0.10 -2.60 -0.02 0.00 1.00 0.00 0.00 33.01 31.29 1a6x s GLN 126 CO 0.04 0.61 0.17 0.42 -2.12 0.00 0.00 175.29 174.41 1a6x s ILE 127 N -0.67 4.80 -0.13 1.08 -1.09 0.52 -4.96 121.20 120.75 1a6x s ILE 127 Ca 0.10 -0.29 -0.06 0.00 -2.23 0.00 0.00 60.65 58.18 1a6x s ILE 127 Cb -0.11 -3.41 -0.04 0.00 -1.58 0.00 0.00 42.46 37.32 1a6x s ILE 127 CO 0.02 0.10 0.08 -0.70 -1.23 0.00 0.00 174.94 173.20 1a6x s GLU 128 N 1.65 3.45 0.24 2.79 2.12 -1.26 0.90 118.70 128.59 1a6x s GLU 128 Ca 0.05 -0.27 -0.31 0.00 0.36 0.00 0.00 54.97 54.80 1a6x s GLU 128 Cb -0.17 -3.08 -0.12 0.00 0.26 0.00 0.00 34.13 31.01 1a6x s GLU 128 CO 0.07 0.62 1.59 0.00 -0.54 0.00 0.00 175.26 177.01 1a6x n ALA 129 N 2.44 2.15 -0.49 6.30 0.00 0.11 -4.85 120.51 126.17 1a6x n ALA 129 Ca -0.19 0.40 0.07 0.00 0.00 0.00 0.00 53.44 53.72 1a6x n ALA 129 Cb 0.54 -2.42 0.20 0.00 0.00 0.00 0.00 19.45 17.77 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 2.81 3.38 0.00 0.00 2.03 -1.26 -3.53 116.55 119.99 1a6x n ASP 130 Ca 0.12 -2.38 0.00 0.00 0.52 0.00 0.00 54.79 53.05 1a6x n ASP 130 Cb 0.34 -0.36 0.00 0.00 -0.72 0.00 0.00 41.12 40.38 1a6x n ASP 130 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1a6x n LYS 131 N 0.20 0.00 -1.23 -0.67 4.81 -1.26 -4.96 118.16 115.04 1a6x n LYS 131 Ca 0.16 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 57.20 1a6x n LYS 131 Cb 0.62 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.67 1a6x n LYS 131 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1a6x n SER 132 N 0.00 -2.74 -1.60 3.14 3.41 -1.26 -4.77 113.62 109.80 1a6x n SER 132 Ca 0.00 0.77 -0.02 0.00 -0.26 0.00 0.00 58.87 59.36 1a6x n SER 132 Cb 0.00 -0.84 0.01 0.00 -0.26 0.00 0.00 64.21 63.12 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 2.23 1.56 2.51 5.00 0.00 0.19 -4.94 105.19 111.74 1a6x n GLY 133 Ca 0.11 -1.07 -0.12 0.00 0.00 0.00 0.00 46.02 44.94 1a6x n GLY 133 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1a6x n THR 134 N -0.18 0.49 -0.83 2.61 5.66 -1.26 -1.33 114.28 119.44 1a6x n THR 134 Ca -0.02 -3.39 0.11 0.00 -3.05 0.00 0.00 64.05 57.69 1a6x n THR 134 Cb 0.19 0.42 -0.03 0.00 -1.55 0.00 0.00 70.33 69.36 1a6x n THR 134 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 1a6x n VAL 135 N 0.03 0.00 0.00 1.08 3.14 -1.26 -4.44 118.33 116.89 1a6x n VAL 135 Ca 0.13 0.05 0.00 0.00 -2.96 0.00 0.00 64.34 61.56 1a6x n VAL 135 Cb 0.76 -0.32 0.00 0.00 -1.06 0.00 0.00 33.84 33.23 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 -2.67 0.00 0.00 1.45 4.81 0.17 -1.12 118.16 120.80 1a6x n LYS 136 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1a6x n LYS 136 Cb 0.59 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.64 1a6x n LYS 136 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1a6x n ALA 137 N -2.09 0.00 -2.62 3.14 0.00 0.17 -4.94 120.51 114.17 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 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 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 5.22 -0.09 0.00 1.01 -1.26 0.13 121.20 125.90 1a6x s ILE 138 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 60.65 60.68 1a6x s ILE 138 Cb 0.00 -3.53 -0.25 0.00 0.01 0.00 0.00 42.46 38.68 1a6x s ILE 138 CO 0.00 0.19 0.49 -0.07 0.00 0.00 0.00 174.94 175.55 1a6x h LEU 139 N 8.39 0.29-10.34 2.97 3.38 -1.17 -3.47 115.31 115.36 1a6x h LEU 139 Ca -0.34 -0.64 -0.51 0.00 0.09 0.00 0.00 57.88 56.48 1a6x h LEU 139 Cb 1.18 -0.09 0.05 0.00 0.09 0.00 0.00 40.66 41.89 1a6x h LEU 139 CO 0.57 1.57 0.36 0.54 0.09 0.00 0.00 178.44 181.57 1a6x s VAL 140 N -2.57 4.75 0.20 1.22 0.11 -0.35 -5.04 120.40 118.71 1a6x s VAL 140 Ca -0.16 0.75 0.09 0.00 -2.93 0.00 0.00 61.98 59.73 1a6x s VAL 140 Cb 0.07 -3.87 -0.04 0.00 -1.53 0.00 0.00 36.38 31.01 1a6x s VAL 140 CO 0.79 -1.08 -0.04 -0.70 -3.33 0.00 0.00 175.10 170.74 1a6x s GLU 141 N -5.07 2.23 -0.81 1.54 2.56 -1.26 -4.99 118.70 112.90 1a6x s GLU 141 Ca 0.54 -1.26 -0.25 0.00 0.00 0.00 0.00 54.97 54.00 1a6x s GLU 141 Cb -0.11 -2.22 -0.04 0.00 2.00 0.00 0.00 34.13 33.76 1a6x s GLU 141 CO 0.52 0.42 1.93 -1.54 -0.56 0.00 0.00 175.26 176.03 1a6x s SER 142 N -3.10 5.16 0.00 -1.70 1.04 -1.26 -1.54 113.70 112.31 1a6x s SER 142 Ca 0.27 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1a6x s SER 142 Cb -0.08 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.49 1a6x s SER 142 CO 0.18 -2.65 0.00 0.61 0.98 0.00 0.00 173.24 172.36 1a6x n GLY 143 N 6.50 1.65 3.74 7.32 0.00 0.31 -4.88 105.19 119.82 1a6x n GLY 143 Ca 0.34 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.01 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 2.54 0.66 1.61 -0.21 -0.59 -4.53 119.66 119.14 1a6x s GLN 144 Ca 0.00 1.88 -0.12 0.00 0.02 0.00 0.00 55.36 57.14 1a6x s GLN 144 Cb 0.00 -1.87 -0.01 0.00 1.00 0.00 0.00 33.01 32.13 1a6x s GLN 144 CO 0.00 -1.56 1.06 -1.25 -2.12 0.00 0.00 175.29 171.42 1a6x s PRO 145 N -3.55 3.09 0.08 2.91 0.04 -1.26 -0.97 135.00 135.33 1a6x s PRO 145 Ca 0.78 1.03 0.02 0.00 0.04 0.00 0.00 61.00 62.87 1a6x s PRO 145 Cb -0.32 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 1a6x s PRO 145 CO 0.40 -0.99 -0.07 0.14 0.04 0.00 0.00 177.00 176.52 1a6x s VAL 146 N -2.86 0.65 0.07 -0.36 -7.23 0.86 -4.77 120.40 106.76 1a6x s VAL 146 Ca 0.60 -1.63 0.04 0.00 -1.81 0.00 0.00 61.98 59.17 1a6x s VAL 146 Cb -0.14 -1.30 -0.03 0.00 0.56 0.00 0.00 36.38 35.46 1a6x s VAL 146 CO 0.49 -0.70 -0.11 -0.70 -0.31 0.00 0.00 175.10 173.77 1a6x s GLU 147 N -3.03 0.74 0.35 4.82 2.56 -1.26 -1.50 118.70 121.39 1a6x s GLU 147 Ca 0.04 -0.96 -0.29 0.00 0.00 0.00 0.00 54.97 53.77 1a6x s GLU 147 Cb -0.00 -0.57 -0.11 0.00 2.00 0.00 0.00 34.13 35.45 1a6x s GLU 147 CO -0.03 0.11 1.53 0.12 -0.56 0.00 0.00 175.26 176.43 1a6x s PHE 148 N -1.67 2.61 0.00 5.30 5.36 -1.26 -1.08 117.98 127.26 1a6x s PHE 148 Ca -0.02 1.04 0.00 0.00 -0.96 0.00 0.00 56.93 56.99 1a6x s PHE 148 Cb -0.08 -4.05 0.00 0.00 -0.34 0.00 0.00 43.02 38.55 1a6x s PHE 148 CO 0.01 -3.23 0.00 -0.40 -1.46 0.00 0.00 175.22 170.14 1a6x n ASP 149 N 0.95 0.00 -4.84 6.13 5.68 -1.24 -5.01 116.55 118.23 1a6x n ASP 149 Ca 0.03 0.00 -0.37 0.00 -0.50 0.00 0.00 54.79 53.95 1a6x n ASP 149 Cb 0.39 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.31 1a6x n ASP 149 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1a6x s GLU 150 N -0.26 3.99 0.74 0.11 2.02 -0.24 -4.92 118.70 120.13 1a6x s GLU 150 Ca 0.00 0.49 -0.11 0.00 0.02 0.00 0.00 54.97 55.37 1a6x s GLU 150 Cb 0.00 -3.12 0.03 0.00 0.10 0.00 0.00 34.13 31.14 1a6x s GLU 150 CO 0.00 0.61 1.07 -1.25 0.02 0.00 0.00 175.26 175.71 1a6x s PRO 151 N -1.42 2.60 0.00 0.39 0.04 -1.26 0.24 135.00 135.59 1a6x s PRO 151 Ca 0.30 0.83 0.00 0.00 0.04 0.00 0.00 61.00 62.16 1a6x s PRO 151 Cb -0.17 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1a6x s PRO 151 CO 0.17 -1.31 0.00 1.28 0.04 0.00 0.00 177.00 177.18 1a6x n LEU 152 N -3.25 0.00 -4.10 -3.56 4.77 0.39 -4.63 117.00 106.62 1a6x n LEU 152 Ca 0.07 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.83 1a6x n LEU 152 Cb 0.55 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.48 1a6x n LEU 152 CO 0.56 -0.18 -0.47 -0.69 -1.33 0.00 0.00 177.39 175.28 1a6x s VAL 153 N -0.36 1.10 -0.20 4.08 1.01 -1.24 -0.53 120.40 124.26 1a6x s VAL 153 Ca 0.00 -0.59 -0.10 0.00 0.00 0.00 0.00 61.98 61.29 1a6x s VAL 153 Cb 0.00 -0.92 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 1a6x s VAL 153 CO 0.00 0.31 0.13 -0.69 0.00 0.00 0.00 175.10 174.85 1a6x s VAL 154 N -0.28 5.31 0.38 2.92 1.01 0.35 -1.76 120.40 128.33 1a6x s VAL 154 Ca 0.05 0.16 0.08 0.00 0.00 0.00 0.00 61.98 62.26 1a6x s VAL 154 Cb -0.06 -3.43 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 1a6x s VAL 154 CO -0.00 0.43 0.17 -0.63 0.00 0.00 0.00 175.10 175.06 1a6x s ILE 155 N 0.49 2.61 -1.36 2.22 1.09 0.06 0.42 121.20 126.72 1a6x s ILE 155 Ca 0.07 -1.69 0.11 0.00 -1.10 0.00 0.00 60.65 58.04 1a6x s ILE 155 Cb -0.12 -2.97 0.09 0.00 -1.06 0.00 0.00 42.46 38.40 1a6x s ILE 155 CO -0.01 -0.08 0.84 1.21 -0.10 0.00 0.00 174.94 176.81