#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 0.02 -3.66 0.03 9.09 -2.11 -2.72 114.58 115.23 1a6x h GLU 71 Ca 0.00 -0.00 -0.68 0.00 0.05 0.00 0.00 59.36 58.73 1a6x h GLU 71 Cb 0.00 -0.00 -0.37 0.00 -1.65 0.00 0.00 28.75 26.73 1a6x h GLU 71 CO 0.00 0.01 -0.47 0.00 0.05 0.00 0.00 179.01 178.60 1a6x s ALA 72 N -5.08 3.44 -0.73 1.06 0.00 -1.26 -4.97 121.76 114.21 1a6x s ALA 72 Ca -0.06 -3.17 -0.06 0.00 0.00 0.00 0.00 51.96 48.66 1a6x s ALA 72 Cb 0.29 -2.46 -0.12 0.00 0.00 0.00 0.00 23.12 20.82 1a6x s ALA 72 CO 0.86 -2.03 2.63 -0.35 0.00 0.00 0.00 175.76 176.86 1a6x n PRO 73 N 3.50 2.27 -2.19 0.00 -0.04 -1.03 -4.84 135.00 132.67 1a6x n PRO 73 Ca 0.06 -1.36 -0.34 0.00 -0.04 0.00 0.00 63.50 61.82 1a6x n PRO 73 Cb 0.37 -2.31 -0.04 0.00 -0.04 0.00 0.00 33.50 31.48 1a6x n PRO 73 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a6x s ALA 74 N 2.32 2.08 0.05 0.55 0.00 -1.26 -4.84 121.76 120.67 1a6x s ALA 74 Ca 0.52 -1.43 -0.28 0.00 0.00 0.00 0.00 51.96 50.76 1a6x s ALA 74 Cb 0.18 -4.46 0.09 0.00 0.00 0.00 0.00 23.12 18.93 1a6x s ALA 74 CO -0.03 -4.23 1.06 0.00 0.00 0.00 0.00 175.76 172.56 1a6x s ALA 75 N 8.48 -1.87 0.37 0.00 0.00 -1.26 -5.16 121.76 122.32 1a6x s ALA 75 Ca 0.62 0.55 0.00 0.00 0.00 0.00 0.00 51.96 53.13 1a6x s ALA 75 Cb -0.07 0.46 0.00 0.00 0.00 0.00 0.00 23.12 23.51 1a6x s ALA 75 CO 0.04 -0.95 0.00 0.00 0.00 0.00 0.00 175.76 174.85 1a6x n ALA 76 N -0.41 -3.24 -1.99 0.00 0.00 -1.26 -5.03 120.51 108.59 1a6x n ALA 76 Ca -0.07 0.52 -0.00 0.00 0.00 0.00 0.00 53.44 53.89 1a6x n ALA 76 Cb 0.61 -1.20 -0.00 0.00 0.00 0.00 0.00 19.45 18.86 1a6x n ALA 76 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1a6x n GLU 77 N -3.96 -3.69 -1.90 0.00 2.13 -1.26 -4.93 120.64 107.03 1a6x n GLU 77 Ca -0.02 2.83 0.00 0.00 0.66 0.00 0.00 57.16 60.63 1a6x n GLU 77 Cb 0.58 -3.55 0.00 0.00 0.27 0.00 0.00 31.44 28.73 1a6x n GLU 77 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1a6x n ILE 78 N 1.30-11.71 -3.18 6.31 2.08 -1.26 -4.98 119.36 107.92 1a6x n ILE 78 Ca -0.02 2.82 -0.23 0.00 0.56 0.00 0.00 62.75 65.88 1a6x n ILE 78 Cb 0.04 -5.17 -0.05 0.00 -0.75 0.00 0.00 39.64 33.70 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 1.58 1.58 -3.15 4.38 7.64 -1.26 -5.11 113.62 119.27 1a6x n SER 79 Ca 0.00 -3.07 -0.15 0.00 1.01 0.00 0.00 58.87 56.66 1a6x n SER 79 Cb 0.00 -0.62 0.15 0.00 -1.01 0.00 0.00 64.21 62.72 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 0.66 -3.48 3.60 0.23 0.00 -1.26 -4.81 105.19 100.13 1a6x n GLY 80 Ca 0.25 -1.14 -0.03 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.56 -0.12 -0.26 1.61 5.65 -0.29 -4.89 115.29 115.42 1a6x s HIS 81 Ca 0.34 0.05 -0.03 0.00 0.25 0.00 0.00 55.06 55.66 1a6x s HIS 81 Cb -0.06 0.53 0.02 0.00 -1.18 0.00 0.00 32.58 31.88 1a6x s HIS 81 CO 0.28 -0.25 -0.02 0.42 -0.65 0.00 0.00 174.74 174.52 1a6x s ILE 82 N -2.48 3.24 -0.26 0.89 -1.09 -1.26 -0.37 121.20 119.86 1a6x s ILE 82 Ca 0.10 -0.85 -0.29 0.00 -2.23 0.00 0.00 60.65 57.38 1a6x s ILE 82 Cb 0.00 -2.63 -0.00 0.00 -1.58 0.00 0.00 42.46 38.26 1a6x s ILE 82 CO -0.05 0.21 1.28 -0.69 -1.23 0.00 0.00 174.94 174.46 1a6x s VAL 83 N 1.40 4.19 -0.14 2.92 1.01 -0.07 -4.93 120.40 124.78 1a6x s VAL 83 Ca 0.02 1.37 0.00 0.00 0.00 0.00 0.00 61.98 63.37 1a6x s VAL 83 Cb -0.16 -4.12 -0.01 0.00 0.00 0.00 0.00 36.38 32.09 1a6x s VAL 83 CO -0.02 -0.38 -0.15 -0.13 0.00 0.00 0.00 175.10 174.41 1a6x s ARG 84 N 3.98 3.27 -0.33 2.72 0.52 -1.26 0.15 118.95 128.00 1a6x s ARG 84 Ca 0.55 -0.73 -0.31 0.00 -0.52 0.00 0.00 55.73 54.72 1a6x s ARG 84 Cb -0.18 -2.61 -0.09 0.00 0.52 0.00 0.00 34.95 32.59 1a6x s ARG 84 CO 0.20 0.10 2.24 0.43 0.02 0.00 0.00 175.30 178.30 1a6x n SER 85 N 3.82 2.55 0.00 0.23 7.64 0.14 -4.77 113.62 123.23 1a6x n SER 85 Ca -0.19 0.23 0.11 0.00 1.01 0.00 0.00 58.87 60.03 1a6x n SER 85 Cb 0.52 -1.40 0.65 0.00 -1.01 0.00 0.00 64.21 62.97 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 8.52 0.75 -3.66 1.43 -0.04 -1.26 -3.04 135.00 137.70 1a6x n PRO 86 Ca 0.37 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.76 1a6x n PRO 86 Cb 0.34 -1.45 -0.08 0.00 -0.04 0.00 0.00 33.50 32.27 1a6x n PRO 86 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a6x s MET 87 N -2.00 0.58 0.65 0.54 0.23 -1.26 -4.90 119.30 113.14 1a6x s MET 87 Ca 0.33 1.15 -0.17 0.00 -1.03 0.00 0.00 55.69 55.96 1a6x s MET 87 Cb 0.15 0.24 -0.03 0.00 -1.53 0.00 0.00 34.83 33.66 1a6x s MET 87 CO 0.25 -0.17 1.02 0.28 -2.03 0.00 0.00 175.02 174.38 1a6x n VAL 88 N 4.58 3.77 0.00 5.16 0.31 -1.26 -4.58 118.33 126.31 1a6x n VAL 88 Ca -0.19 -0.47 0.00 0.00 -0.01 0.00 0.00 64.34 63.68 1a6x n VAL 88 Cb 0.56 -1.19 0.00 0.00 -0.91 0.00 0.00 33.84 32.29 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 1.18 -0.24 3.22 2.92 0.00 -0.44 -4.76 105.19 107.08 1a6x n GLY 89 Ca 0.14 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 0.36 -0.01 2.61 2.01 -0.02 0.21 115.64 120.79 1a6x s THR 90 Ca 0.00 -1.96 0.02 0.00 0.31 0.00 0.00 61.69 60.05 1a6x s THR 90 Cb 0.00 -2.25 -0.00 0.00 0.01 0.00 0.00 72.50 70.26 1a6x s THR 90 CO 0.00 -0.31 -0.06 0.12 -0.69 0.00 0.00 174.62 173.68 1a6x s PHE 91 N -3.88 0.60 0.04 4.92 2.19 -0.01 -0.61 117.98 121.23 1a6x s PHE 91 Ca 0.29 -0.12 0.02 0.00 0.33 0.00 0.00 56.93 57.45 1a6x s PHE 91 Cb 0.07 -0.42 -0.02 0.00 -1.31 0.00 0.00 43.02 41.34 1a6x s PHE 91 CO 0.06 -0.04 -0.08 0.71 1.83 0.00 0.00 175.22 177.71 1a6x s TYR 92 N 0.02 0.69 -0.65 10.12 2.02 -0.12 0.47 117.35 129.90 1a6x s TYR 92 Ca 0.00 -0.48 0.22 0.00 -0.37 0.00 0.00 57.07 56.44 1a6x s TYR 92 Cb -0.04 -0.41 -0.10 0.00 -0.40 0.00 0.00 41.96 41.00 1a6x s TYR 92 CO -0.00 -0.07 0.89 0.54 -1.57 0.00 0.00 175.55 175.34 1a6x n ARG 93 N 1.52 0.24 -4.15 -0.62 5.12 -1.26 -0.35 116.66 117.16 1a6x n ARG 93 Ca -0.22 -0.04 -0.13 0.00 -1.93 0.00 0.00 57.85 55.53 1a6x n ARG 93 Cb 0.55 -1.54 -0.11 0.00 -1.16 0.00 0.00 32.46 30.20 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 -3.18 0.79 0.10 0.55 -4.23 -1.26 -1.36 115.64 107.05 1a6x s THR 94 Ca 0.03 -1.60 0.15 0.00 -1.18 0.00 0.00 61.69 59.10 1a6x s THR 94 Cb 0.15 -1.28 0.05 0.00 1.34 0.00 0.00 72.50 72.76 1a6x s THR 94 CO 0.84 -0.60 1.59 1.55 -0.54 0.00 0.00 174.62 177.46 1a6x h PRO 95 N 3.61 0.00 -4.60 3.99 0.13 -1.89 -3.46 132.00 129.78 1a6x h PRO 95 Ca -0.36 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.38 1a6x h PRO 95 Cb 1.19 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.20 1a6x h PRO 95 CO 0.53 0.52 -0.38 0.45 -0.23 0.00 0.00 178.00 178.89 1a6x s SER 96 N -6.54 1.33 -0.05 1.44 0.15 -1.26 -5.05 113.70 103.72 1a6x s SER 96 Ca 0.01 -1.64 -0.25 0.00 0.70 0.00 0.00 55.95 54.77 1a6x s SER 96 Cb 0.10 0.59 -0.23 0.00 -1.71 0.00 0.00 66.02 64.78 1a6x s SER 96 CO 0.73 -1.14 1.06 1.55 1.20 0.00 0.00 173.24 176.64 1a6x h PRO 97 N 2.15 0.15 -1.09 5.44 0.13 -1.97 -3.27 132.00 133.53 1a6x h PRO 97 Ca -0.27 -0.15 -0.67 0.00 -0.87 0.00 0.00 66.00 64.05 1a6x h PRO 97 Cb 1.24 0.04 -0.28 0.00 0.13 0.00 0.00 31.00 32.12 1a6x h PRO 97 CO 0.38 0.86 0.87 -3.47 -0.23 0.00 0.00 178.00 176.41 1a6x n ASP 98 N -4.56 7.64 -4.39 1.44 -0.08 -1.26 -4.92 116.55 110.42 1a6x n ASP 98 Ca -0.09 -3.75 -0.28 0.00 -1.51 0.00 0.00 54.79 49.15 1a6x n ASP 98 Cb 0.46 -0.99 -0.13 0.00 2.34 0.00 0.00 41.12 42.80 1a6x n ASP 98 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1a6x s ALA 99 N -3.73 2.36 1.22 -1.67 0.00 -1.23 -5.13 121.76 113.57 1a6x s ALA 99 Ca 0.62 -1.49 -0.16 0.00 0.00 0.00 0.00 51.96 50.94 1a6x s ALA 99 Cb 0.49 -0.36 0.27 0.00 0.00 0.00 0.00 23.12 23.53 1a6x s ALA 99 CO -0.04 0.50 0.75 1.63 0.00 0.00 0.00 175.76 178.60 1a6x n LYS 100 N 0.79 -2.75 -3.54 0.00 5.02 -1.26 -4.79 118.16 111.64 1a6x n LYS 100 Ca -0.17 -0.79 -0.37 0.00 -2.02 0.00 0.00 58.31 54.96 1a6x n LYS 100 Cb 0.54 -2.00 -0.06 0.00 -0.02 0.00 0.00 35.03 33.48 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 -2.30 3.65 0.28 7.82 0.00 -1.26 -4.43 121.76 125.51 1a6x s ALA 101 Ca 0.65 -0.36 -0.01 0.00 0.00 0.00 0.00 51.96 52.24 1a6x s ALA 101 Cb -0.20 -2.37 0.46 0.00 0.00 0.00 0.00 23.12 21.00 1a6x s ALA 101 CO 0.64 0.27 1.88 0.74 0.00 0.00 0.00 175.76 179.29 1a6x h PHE 102 N 5.82 1.17 -3.16 0.00 0.04 -1.56 -3.37 116.94 115.88 1a6x h PHE 102 Ca -0.46 0.03 -0.50 0.00 2.80 0.00 0.00 57.97 59.84 1a6x h PHE 102 Cb 1.19 -0.38 -0.40 0.00 2.20 0.00 0.00 35.95 38.56 1a6x h PHE 102 CO 0.66 0.58 -0.76 0.42 -0.60 0.00 0.00 178.31 178.61 1a6x s ILE 103 N -6.00 0.30 -0.34 -0.55 1.01 -1.26 -4.88 121.20 109.48 1a6x s ILE 103 Ca -0.12 -0.49 -0.21 0.00 0.00 0.00 0.00 60.65 59.83 1a6x s ILE 103 Cb 0.21 -0.91 0.00 0.00 0.01 0.00 0.00 42.46 41.77 1a6x s ILE 103 CO 0.81 -0.29 0.69 -1.61 0.00 0.00 0.00 174.94 174.53 1a6x s GLU 104 N 1.95 3.78 -0.49 2.79 2.02 -1.26 -4.96 118.70 122.54 1a6x s GLU 104 Ca 0.01 0.24 -0.45 0.00 0.02 0.00 0.00 54.97 54.79 1a6x s GLU 104 Cb -0.17 -3.78 -0.19 0.00 0.10 0.00 0.00 34.13 30.09 1a6x s GLU 104 CO -0.11 -0.72 1.78 0.28 0.02 0.00 0.00 175.26 176.52 1a6x n VAL 105 N 5.58 0.00 0.00 2.63 0.31 -1.26 -1.45 118.33 124.14 1a6x n VAL 105 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1a6x n VAL 105 Cb 0.48 -0.49 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 1.55 3.60 2.92 0.00 -1.26 -5.10 105.19 112.23 1a6x n GLY 106 Ca 0.40 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.12 1.93 0.26 1.61 0.74 -0.53 -5.01 119.66 118.54 1a6x s GLN 107 Ca 0.00 -2.11 0.10 0.00 0.05 0.00 0.00 55.36 53.40 1a6x s GLN 107 Cb 0.00 -1.47 -0.04 0.00 1.10 0.00 0.00 33.01 32.60 1a6x s GLN 107 CO 0.00 -0.12 -0.02 0.21 -0.55 0.00 0.00 175.29 174.81 1a6x s LYS 108 N -3.76 2.24 0.03 1.67 2.20 -1.26 -3.09 119.74 117.76 1a6x s LYS 108 Ca 0.32 -1.43 0.00 0.00 -0.36 0.00 0.00 55.97 54.50 1a6x s LYS 108 Cb 0.09 -2.14 -0.02 0.00 -1.51 0.00 0.00 37.83 34.25 1a6x s LYS 108 CO 0.16 0.37 -0.04 0.14 -0.36 0.00 0.00 175.35 175.62 1a6x s VAL 109 N -2.30 0.18 0.05 4.02 -7.23 0.03 -5.00 120.40 110.14 1a6x s VAL 109 Ca 0.31 -0.99 0.07 0.00 -1.81 0.00 0.00 61.98 59.56 1a6x s VAL 109 Cb -0.06 -0.38 -0.03 0.00 0.56 0.00 0.00 36.38 36.47 1a6x s VAL 109 CO 0.19 -0.51 -0.18 0.54 -0.31 0.00 0.00 175.10 174.83 1a6x s ASN 110 N -1.56 2.19 -0.51 4.85 2.20 -1.26 -0.94 114.94 119.90 1a6x s ASN 110 Ca -0.14 -0.52 -0.43 0.00 -0.94 0.00 0.00 52.86 50.83 1a6x s ASN 110 Cb -0.09 -0.16 -0.19 0.00 -2.00 0.00 0.00 41.25 38.81 1a6x s ASN 110 CO -0.01 0.10 2.16 0.55 -2.94 0.00 0.00 177.10 176.96 1a6x n VAL 111 N 1.76 0.01 0.00 3.54 3.14 -1.26 0.97 118.33 126.49 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 0.54 -0.55 0.00 0.00 -1.06 0.00 0.00 33.84 32.77 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 1.69 3.73 7.55 0.00 0.38 -4.99 105.19 120.96 1a6x n GLY 112 Ca 0.55 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.48 7.45 0.43 1.61 -0.00 0.27 -4.60 116.67 120.36 1a6x s ASP 113 Ca 0.00 1.79 -0.25 0.00 -0.00 0.00 0.00 52.55 54.09 1a6x s ASP 113 Cb 0.00 -2.59 -0.09 0.00 -0.00 0.00 0.00 42.92 40.24 1a6x s ASP 113 CO 0.00 -0.12 1.25 0.41 -0.00 0.00 0.00 175.17 176.71 1a6x n THR 114 N 3.01 2.64 -0.04 -1.27 -1.04 -1.26 -0.18 114.28 116.13 1a6x n THR 114 Ca 0.03 -0.50 -0.04 0.00 -2.04 0.00 0.00 64.05 61.50 1a6x n THR 114 Cb 0.49 -1.54 -0.06 0.00 -1.82 0.00 0.00 70.33 67.41 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 0.14 0.48 0.00 -4.42 7.94 0.67 -4.71 117.00 117.11 1a6x n LEU 115 Ca 0.07 -0.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.96 1a6x n LEU 115 Cb 0.40 0.10 0.00 0.00 0.53 0.00 0.00 43.42 44.45 1a6x n LEU 115 CO 0.58 0.26 0.00 0.00 -1.11 0.00 0.00 177.39 177.13 1a6x s ILE 117 N -2.72 2.33 -0.04 0.00 1.01 0.52 0.04 121.20 122.34 1a6x s ILE 117 Ca 0.00 -2.29 -0.02 0.00 0.00 0.00 0.00 60.65 58.34 1a6x s ILE 117 Cb 0.00 -2.21 0.03 0.00 0.01 0.00 0.00 42.46 40.29 1a6x s ILE 117 CO 0.00 -0.37 0.04 -0.69 0.00 0.00 0.00 174.94 173.92 1a6x s VAL 118 N -2.40 -0.01 -0.09 2.92 1.01 0.14 -0.94 120.40 121.03 1a6x s VAL 118 Ca 0.27 0.34 -0.25 0.00 0.00 0.00 0.00 61.98 62.34 1a6x s VAL 118 Cb -0.05 -0.21 -0.03 0.00 0.00 0.00 0.00 36.38 36.09 1a6x s VAL 118 CO 0.13 0.18 0.78 -0.70 0.00 0.00 0.00 175.10 175.48 1a6x s GLU 119 N 1.97 4.41 0.05 2.72 2.12 0.22 0.22 118.70 130.42 1a6x s GLU 119 Ca 0.03 0.99 -0.28 0.00 0.36 0.00 0.00 54.97 56.07 1a6x s GLU 119 Cb -0.12 -3.49 0.09 0.00 0.26 0.00 0.00 34.13 30.87 1a6x s GLU 119 CO -0.03 -0.07 1.02 0.00 -0.54 0.00 0.00 175.26 175.64 1a6x s ALA 120 N 1.22 -1.84 -1.69 6.30 0.00 -0.54 -0.84 121.76 124.37 1a6x s ALA 120 Ca 0.40 0.60 -0.13 0.00 0.00 0.00 0.00 51.96 52.83 1a6x s ALA 120 Cb -0.18 0.46 0.12 0.00 0.00 0.00 0.00 23.12 23.53 1a6x s ALA 120 CO 0.18 -0.90 0.46 0.00 0.00 0.00 0.00 175.76 175.50 1a6x n MET 121 N -0.38 -1.71 -4.11 0.00 0.00 -1.26 0.32 117.12 109.99 1a6x n MET 121 Ca -0.07 0.22 -0.31 0.00 0.00 0.00 0.00 57.70 57.54 1a6x n MET 121 Cb 0.61 -4.48 -0.05 0.00 0.00 0.00 0.00 33.22 29.30 1a6x n MET 121 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 175.97 176.33 1a6x n LYS 122 N -4.33 -1.76 -3.60 3.17 2.85 -1.26 -4.91 118.16 108.33 1a6x n LYS 122 Ca -0.07 0.23 -0.06 0.00 -1.05 0.00 0.00 58.31 57.37 1a6x n LYS 122 Cb 0.56 -3.85 -0.04 0.00 -0.65 0.00 0.00 35.03 31.06 1a6x n LYS 122 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1a6x s MET 123 N -6.99 0.33 0.24 -1.58 -1.94 0.15 -5.15 119.30 104.37 1a6x s MET 123 Ca 0.09 -0.00 -0.30 0.00 -1.71 0.00 0.00 55.69 53.77 1a6x s MET 123 Cb -0.04 0.16 -0.09 0.00 2.01 0.00 0.00 34.83 36.86 1a6x s MET 123 CO 0.95 -0.12 1.07 0.00 -0.01 0.00 0.00 175.02 176.91 1a6x s MET 124 N -1.59 4.66 -0.34 2.03 0.23 -1.26 -1.47 119.30 121.56 1a6x s MET 124 Ca 0.06 1.73 -0.00 0.00 -1.03 0.00 0.00 55.69 56.44 1a6x s MET 124 Cb -0.01 -3.23 0.11 0.00 -1.53 0.00 0.00 34.83 30.17 1a6x s MET 124 CO -0.04 0.22 0.14 -0.80 -2.03 0.00 0.00 175.02 172.51 1a6x s ASN 125 N -0.70 3.83 0.67 -1.18 0.01 0.13 -4.93 114.94 112.77 1a6x s ASN 125 Ca 0.45 -1.89 -0.17 0.00 -0.71 0.00 0.00 52.86 50.55 1a6x s ASN 125 Cb -0.30 -0.83 0.00 0.00 0.41 0.00 0.00 41.25 40.53 1a6x s ASN 125 CO 0.38 -0.37 1.21 -1.58 -1.51 0.00 0.00 177.10 175.22 1a6x s GLN 126 N 1.31 2.53 -0.23 -0.60 0.74 -1.26 0.23 119.66 122.38 1a6x s GLN 126 Ca 0.12 1.78 -0.01 0.00 0.05 0.00 0.00 55.36 57.31 1a6x s GLN 126 Cb -0.19 -1.88 0.03 0.00 1.10 0.00 0.00 33.01 32.07 1a6x s GLN 126 CO -0.18 -1.54 -0.10 0.42 -0.55 0.00 0.00 175.29 173.34 1a6x s ILE 127 N -1.82 2.64 -0.18 -2.34 -1.09 0.11 -4.81 121.20 113.70 1a6x s ILE 127 Ca 0.76 -1.06 -0.18 0.00 -2.23 0.00 0.00 60.65 57.94 1a6x s ILE 127 Cb -0.30 -2.31 -0.04 0.00 -1.58 0.00 0.00 42.46 38.24 1a6x s ILE 127 CO 0.40 0.25 0.49 -1.83 -1.23 0.00 0.00 174.94 173.03 1a6x s GLU 128 N 1.30 4.22 0.19 2.79 -1.05 -1.26 -0.23 118.70 124.65 1a6x s GLU 128 Ca 0.00 0.39 -0.33 0.00 -0.15 0.00 0.00 54.97 54.89 1a6x s GLU 128 Cb -0.16 -3.53 -0.14 0.00 -0.44 0.00 0.00 34.13 29.86 1a6x s GLU 128 CO -0.06 -0.07 1.39 0.00 0.95 0.00 0.00 175.26 177.48 1a6x n ALA 129 N 4.50 0.57 -1.38 -0.84 0.00 0.75 -4.77 120.51 119.35 1a6x n ALA 129 Ca -0.06 0.44 0.08 0.00 0.00 0.00 0.00 53.44 53.90 1a6x n ALA 129 Cb 0.51 -2.22 0.17 0.00 0.00 0.00 0.00 19.45 17.90 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 2.47 1.96 -2.81 0.00 -0.08 -1.26 -0.47 116.55 116.37 1a6x n ASP 130 Ca 0.14 -3.42 -0.02 0.00 -1.51 0.00 0.00 54.79 49.98 1a6x n ASP 130 Cb 0.28 -0.47 0.01 0.00 2.34 0.00 0.00 41.12 43.29 1a6x n ASP 130 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 1a6x s LYS 131 N -2.91 0.53 0.33 -0.67 2.20 -1.26 -4.96 119.74 113.00 1a6x s LYS 131 Ca 0.34 -0.41 -0.22 0.00 -0.36 0.00 0.00 55.97 55.32 1a6x s LYS 131 Cb 0.32 0.01 -0.15 0.00 -1.51 0.00 0.00 37.83 36.49 1a6x s LYS 131 CO -0.02 -0.70 0.21 -1.13 -0.36 0.00 0.00 175.35 173.35 1a6x n SER 132 N 3.24 -2.29 0.00 1.43 3.41 -1.26 -4.83 113.62 113.32 1a6x n SER 132 Ca 0.12 0.88 0.00 0.00 -0.26 0.00 0.00 58.87 59.61 1a6x n SER 132 Cb 0.61 -0.87 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 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 2.16 -1.81 3.90 5.00 0.00 -0.12 -4.70 105.19 109.61 1a6x n GLY 133 Ca 0.13 -1.12 -0.23 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.21 2.13 0.31 2.61 2.01 -1.25 -0.79 115.64 118.45 1a6x s THR 134 Ca 0.00 -1.38 -0.29 0.00 0.31 0.00 0.00 61.69 60.33 1a6x s THR 134 Cb 0.00 -2.51 -0.10 0.00 0.01 0.00 0.00 72.50 69.90 1a6x s THR 134 CO 0.00 0.00 1.21 0.54 -0.69 0.00 0.00 174.62 175.68 1a6x s VAL 135 N -2.64 3.05 0.00 3.82 0.11 -1.18 0.19 120.40 123.76 1a6x s VAL 135 Ca 0.43 1.06 0.00 0.00 -2.93 0.00 0.00 61.98 60.54 1a6x s VAL 135 Cb -0.03 -3.67 0.00 0.00 -1.53 0.00 0.00 36.38 31.15 1a6x s VAL 135 CO 0.26 0.25 0.00 1.17 -3.33 0.00 0.00 175.10 173.45 1a6x n LYS 136 N 0.95 0.00 0.00 1.54 4.81 0.13 -4.42 118.16 121.16 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 0.43 -0.81 0.00 0.00 0.02 0.00 0.00 35.03 34.67 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 -2.56 0.00 -2.80 3.14 0.00 0.00 -4.97 120.51 113.33 1a6x n ALA 137 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1a6x n ALA 137 Cb 0.45 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.81 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 -0.68 4.92 -0.25 0.00 1.09 -1.26 0.17 121.20 125.20 1a6x s ILE 138 Ca 0.00 0.01 -0.07 0.00 -1.10 0.00 0.00 60.65 59.49 1a6x s ILE 138 Cb 0.00 -3.20 -0.13 0.00 -1.06 0.00 0.00 42.46 38.08 1a6x s ILE 138 CO 0.00 0.50 -0.28 0.18 -0.10 0.00 0.00 174.94 175.24 1a6x n LEU 139 N 3.14 2.24 -4.78 2.97 4.77 -0.53 -4.95 117.00 119.88 1a6x n LEU 139 Ca -0.17 0.14 -0.34 0.00 -0.03 0.00 0.00 56.01 55.61 1a6x n LEU 139 Cb 0.53 -0.78 0.02 0.00 -2.33 0.00 0.00 43.42 40.86 1a6x n LEU 139 CO 0.34 0.67 0.76 0.54 -1.33 0.00 0.00 177.39 178.37 1a6x s VAL 140 N -2.47 3.27 -0.06 4.08 0.11 -0.01 -5.04 120.40 120.28 1a6x s VAL 140 Ca -0.34 0.68 0.03 0.00 -2.93 0.00 0.00 61.98 59.43 1a6x s VAL 140 Cb 0.12 -3.22 -0.02 0.00 -1.53 0.00 0.00 36.38 31.72 1a6x s VAL 140 CO 0.48 -0.28 -0.16 -0.70 -3.33 0.00 0.00 175.10 171.12 1a6x s GLU 141 N -3.70 2.64 -0.85 1.54 2.12 -1.26 -4.97 118.70 114.21 1a6x s GLU 141 Ca 0.69 -0.72 -0.23 0.00 0.36 0.00 0.00 54.97 55.07 1a6x s GLU 141 Cb -0.21 -2.38 -0.21 0.00 0.26 0.00 0.00 34.13 31.59 1a6x s GLU 141 CO 0.34 0.53 2.43 0.45 -0.54 0.00 0.00 175.26 178.47 1a6x n SER 142 N 2.58 0.53 0.00 -1.70 2.88 -1.26 0.18 113.62 116.84 1a6x n SER 142 Ca -0.17 -0.50 0.00 0.00 -1.33 0.00 0.00 58.87 56.86 1a6x n SER 142 Cb 0.52 -1.10 0.00 0.00 -0.75 0.00 0.00 64.21 62.88 1a6x n SER 142 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a6x n GLY 143 N 6.18 1.41 3.57 0.46 0.00 0.18 -4.92 105.19 112.06 1a6x n GLY 143 Ca 0.57 -0.20 -0.38 0.00 0.00 0.00 0.00 46.02 46.01 1a6x n GLY 143 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1a6x n GLN 144 N 0.00 0.72 -1.55 1.61 7.27 0.49 -4.49 117.38 121.42 1a6x n GLN 144 Ca 0.00 0.28 -0.29 0.00 0.07 0.00 0.00 57.00 57.06 1a6x n GLN 144 Cb 0.00 -2.02 0.12 0.00 2.41 0.00 0.00 30.24 30.75 1a6x n GLN 144 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1a6x s PRO 145 N -2.61 1.44 0.12 3.69 0.04 -1.26 -0.83 135.00 135.59 1a6x s PRO 145 Ca 0.74 0.39 0.03 0.00 0.04 0.00 0.00 61.00 62.19 1a6x s PRO 145 Cb -0.42 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 1a6x s PRO 145 CO 0.49 -2.01 -0.08 0.14 0.04 0.00 0.00 177.00 175.58 1a6x s VAL 146 N -3.25 0.86 0.08 -0.36 -7.23 0.13 -4.64 120.40 105.99 1a6x s VAL 146 Ca 0.63 -1.98 -0.06 0.00 -1.81 0.00 0.00 61.98 58.76 1a6x s VAL 146 Cb -0.15 -1.76 -0.02 0.00 0.56 0.00 0.00 36.38 35.02 1a6x s VAL 146 CO 0.53 -0.81 0.11 -1.61 -0.31 0.00 0.00 175.10 173.01 1a6x s GLU 147 N -3.81 0.78 0.08 4.82 2.02 -1.26 -1.32 118.70 120.00 1a6x s GLU 147 Ca 0.14 -1.07 -0.31 0.00 0.02 0.00 0.00 54.97 53.75 1a6x s GLU 147 Cb 0.04 0.30 -0.09 0.00 0.10 0.00 0.00 34.13 34.48 1a6x s GLU 147 CO -0.03 -0.22 1.66 0.12 0.02 0.00 0.00 175.26 176.82 1a6x s PHE 148 N -3.89 2.43 0.00 1.61 2.19 -1.26 -0.89 117.98 118.17 1a6x s PHE 148 Ca 0.07 0.30 0.00 0.00 0.33 0.00 0.00 56.93 57.63 1a6x s PHE 148 Cb 0.06 -3.98 0.00 0.00 -1.31 0.00 0.00 43.02 37.79 1a6x s PHE 148 CO -0.10 -3.94 0.00 -3.47 1.83 0.00 0.00 175.22 169.55 1a6x n ASP 149 N 5.52 -2.99 -4.85 6.13 2.03 -1.17 -5.02 116.55 116.19 1a6x n ASP 149 Ca 0.16 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 55.11 1a6x n ASP 149 Cb 0.40 -0.50 -0.06 0.00 -0.72 0.00 0.00 41.12 40.25 1a6x n ASP 149 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1a6x s GLU 150 N -0.22 3.88 0.78 -0.67 2.12 -0.07 -4.93 118.70 119.59 1a6x s GLU 150 Ca 0.00 0.35 -0.11 0.00 0.36 0.00 0.00 54.97 55.56 1a6x s GLU 150 Cb 0.00 -3.04 0.06 0.00 0.26 0.00 0.00 34.13 31.41 1a6x s GLU 150 CO 0.00 0.57 1.09 -1.25 -0.54 0.00 0.00 175.26 175.13 1a6x s PRO 151 N -1.70 2.24 0.00 4.30 0.04 -1.26 0.28 135.00 138.90 1a6x s PRO 151 Ca 0.32 0.69 0.00 0.00 0.04 0.00 0.00 61.00 62.05 1a6x s PRO 151 Cb -0.15 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1a6x s PRO 151 CO 0.17 -1.52 0.00 1.28 0.04 0.00 0.00 177.00 176.97 1a6x n LEU 152 N -3.38 0.00 -4.24 -3.56 4.77 0.39 -4.58 117.00 106.40 1a6x n LEU 152 Ca 0.07 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.81 1a6x n LEU 152 Cb 0.56 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.51 1a6x n LEU 152 CO 0.56 0.00 -0.51 -0.69 -1.33 0.00 0.00 177.39 175.42 1a6x s VAL 153 N 0.00 1.59 -0.25 4.08 1.01 -1.20 -0.83 120.40 124.81 1a6x s VAL 153 Ca 0.00 -1.24 -0.09 0.00 0.00 0.00 0.00 61.98 60.65 1a6x s VAL 153 Cb 0.00 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 1a6x s VAL 153 CO 0.00 0.13 0.12 -0.69 0.00 0.00 0.00 175.10 174.66 1a6x s VAL 154 N -0.88 4.88 0.19 2.92 1.01 0.45 -0.89 120.40 128.08 1a6x s VAL 154 Ca 0.06 0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.13 1a6x s VAL 154 Cb -0.09 -3.28 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 1a6x s VAL 154 CO 0.02 0.33 0.04 -0.63 0.00 0.00 0.00 175.10 174.86 1a6x s ILE 155 N 1.40 3.91 0.00 2.22 1.09 0.50 -0.70 121.20 129.61 1a6x s ILE 155 Ca 0.06 -1.40 0.00 0.00 -1.10 0.00 0.00 60.65 58.21 1a6x s ILE 155 Cb -0.15 -2.99 0.00 0.00 -1.06 0.00 0.00 42.46 38.26 1a6x s ILE 155 CO 0.06 -0.15 0.00 1.21 -0.10 0.00 0.00 174.94 175.96