#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 -1.10 -0.01 2.12 2.13 -1.25 -4.91 120.64 117.61 1a6x n GLU 71 Ca 0.00 0.81 -0.09 0.00 0.66 0.00 0.00 57.16 58.54 1a6x n GLU 71 Cb 0.00 -5.05 -0.07 0.00 0.27 0.00 0.00 31.44 26.59 1a6x n GLU 71 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1a6x h ALA 72 N 0.44 -0.10 0.00 4.31 0.00 -1.84 -3.34 119.26 118.73 1a6x h ALA 72 Ca -0.33 -0.25 -0.36 0.00 0.00 0.00 0.00 54.91 53.97 1a6x h ALA 72 Cb 1.14 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1a6x h ALA 72 CO 0.42 -0.14 1.84 -0.35 0.00 0.00 0.00 179.25 181.02 1a6x n PRO 73 N -4.80 2.28 -3.09 0.00 -0.04 -1.23 -4.69 135.00 123.43 1a6x n PRO 73 Ca -0.06 -1.37 -0.00 0.00 -0.04 0.00 0.00 63.50 62.03 1a6x n PRO 73 Cb 0.26 -2.31 -0.00 0.00 -0.04 0.00 0.00 33.50 31.40 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 3.41 -2.16 0.00 0.55 0.00 -1.25 -2.37 120.51 118.69 1a6x n ALA 74 Ca 0.49 0.13 0.00 0.00 0.00 0.00 0.00 53.44 54.06 1a6x n ALA 74 Cb 0.38 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.15 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 1.34 0.00 -1.15 0.00 0.00 -1.25 -4.86 120.51 114.59 1a6x n ALA 75 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.05 1a6x n ALA 75 Cb 0.37 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.85 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 0.00 -3.97 -3.67 0.00 0.00 -1.00 -4.21 120.51 107.67 1a6x n ALA 76 Ca 0.00 -0.31 -0.28 0.00 0.00 0.00 0.00 53.44 52.85 1a6x n ALA 76 Cb 0.00 -1.32 -0.16 0.00 0.00 0.00 0.00 19.45 17.97 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 -1.47 0.45 -0.50 0.00 4.04 0.05 -3.50 118.70 117.77 1a6x s GLU 77 Ca 0.51 -0.53 -0.34 0.00 0.04 0.00 0.00 54.97 54.64 1a6x s GLU 77 Cb -0.37 -1.81 0.05 0.00 0.02 0.00 0.00 34.13 32.03 1a6x s GLU 77 CO 0.72 -0.81 0.66 0.44 -1.84 0.00 0.00 175.26 174.43 1a6x n ILE 78 N 5.09 -3.89 0.00 1.83 -5.35 -1.26 -1.08 119.36 114.71 1a6x n ILE 78 Ca -0.06 0.07 0.00 0.00 -0.27 0.00 0.00 62.75 62.49 1a6x n ILE 78 Cb 0.45 -3.49 0.00 0.00 -1.74 0.00 0.00 39.64 34.87 1a6x n ILE 78 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1a6x n SER 79 N -0.54 0.00 -3.96 7.28 7.64 -1.26 -4.86 113.62 117.91 1a6x n SER 79 Ca -0.12 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.38 1a6x n SER 79 Cb 0.69 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.76 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 0.00 -0.41 2.85 0.23 0.00 -0.24 -4.07 105.19 103.56 1a6x n GLY 80 Ca 0.00 1.02 -0.30 0.00 0.00 0.00 0.00 46.02 46.74 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 7.72 2.32 -0.20 1.61 2.46 0.12 -0.77 115.29 128.55 1a6x s HIS 81 Ca 1.19 -1.98 -0.23 0.00 0.47 0.00 0.00 55.06 54.51 1a6x s HIS 81 Cb -1.14 -1.92 -0.02 0.00 -0.13 0.00 0.00 32.58 29.37 1a6x s HIS 81 CO 0.45 -0.85 0.75 0.42 -2.47 0.00 0.00 174.74 173.04 1a6x s ILE 82 N 1.41 4.92 -0.07 0.89 1.01 -1.26 -0.95 121.20 127.15 1a6x s ILE 82 Ca 0.05 1.43 -0.30 0.00 0.00 0.00 0.00 60.65 61.84 1a6x s ILE 82 Cb -0.18 -4.05 -0.02 0.00 0.01 0.00 0.00 42.46 38.22 1a6x s ILE 82 CO -0.15 0.03 1.06 -0.69 0.00 0.00 0.00 174.94 175.19 1a6x s VAL 83 N 2.25 4.64 -0.25 2.92 1.01 0.27 -4.93 120.40 126.31 1a6x s VAL 83 Ca 0.33 1.91 -0.04 0.00 0.00 0.00 0.00 61.98 64.18 1a6x s VAL 83 Cb -0.16 -4.23 0.01 0.00 0.00 0.00 0.00 36.38 32.00 1a6x s VAL 83 CO 0.10 0.03 -0.01 -0.13 0.00 0.00 0.00 175.10 175.09 1a6x s ARG 84 N 1.88 3.15 -0.50 2.72 0.52 -1.26 0.12 118.95 125.58 1a6x s ARG 84 Ca 0.51 -0.79 -0.35 0.00 -0.52 0.00 0.00 55.73 54.59 1a6x s ARG 84 Cb -0.21 -3.11 -0.14 0.00 0.52 0.00 0.00 34.95 32.02 1a6x s ARG 84 CO 0.21 -0.32 2.29 0.45 0.02 0.00 0.00 175.30 177.95 1a6x n SER 85 N 4.78 1.61 0.00 0.23 2.88 0.14 -4.74 113.62 118.52 1a6x n SER 85 Ca -0.17 0.31 0.11 0.00 -1.33 0.00 0.00 58.87 57.79 1a6x n SER 85 Cb 0.49 -1.18 0.68 0.00 -0.75 0.00 0.00 64.21 63.44 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 8.23 0.75 -3.91 -1.46 -0.04 -1.26 -2.72 135.00 134.59 1a6x n PRO 86 Ca 0.47 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.84 1a6x n PRO 86 Cb 0.19 -1.47 -0.09 0.00 -0.04 0.00 0.00 33.50 32.08 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 -2.00 0.57 -0.03 0.54 -1.94 -1.26 -4.91 119.30 110.28 1a6x s MET 87 Ca 0.34 -0.68 -0.14 0.00 -1.71 0.00 0.00 55.69 53.51 1a6x s MET 87 Cb 0.16 0.23 -0.05 0.00 2.01 0.00 0.00 34.83 37.17 1a6x s MET 87 CO 0.26 -0.14 0.37 0.08 -0.01 0.00 0.00 175.02 175.58 1a6x s VAL 88 N -2.37 5.11 0.00 -6.03 1.01 -1.26 -4.07 120.40 112.79 1a6x s VAL 88 Ca -0.07 0.74 0.00 0.00 0.00 0.00 0.00 61.98 62.66 1a6x s VAL 88 Cb -0.02 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1a6x s VAL 88 CO -0.03 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1a6x n GLY 89 N 1.97 -0.54 3.25 4.51 0.00 -0.51 -4.70 105.19 109.17 1a6x n GLY 89 Ca -0.14 0.14 -0.14 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 0.56 -0.01 2.61 2.01 -0.29 0.23 115.64 120.75 1a6x s THR 90 Ca 0.00 -1.98 0.02 0.00 0.31 0.00 0.00 61.69 60.04 1a6x s THR 90 Cb 0.00 -2.26 -0.00 0.00 0.01 0.00 0.00 72.50 70.25 1a6x s THR 90 CO 0.00 -0.34 -0.07 0.12 -0.69 0.00 0.00 174.62 173.64 1a6x s PHE 91 N -3.74 0.67 0.13 4.92 2.19 -0.25 0.23 117.98 122.13 1a6x s PHE 91 Ca 0.28 -0.13 0.04 0.00 0.33 0.00 0.00 56.93 57.44 1a6x s PHE 91 Cb 0.07 -0.45 -0.04 0.00 -1.31 0.00 0.00 43.02 41.28 1a6x s PHE 91 CO 0.06 -0.03 -0.09 0.71 1.83 0.00 0.00 175.22 177.70 1a6x s TYR 92 N -0.08 1.15 -0.06 10.12 2.02 0.63 0.19 117.35 131.31 1a6x s TYR 92 Ca 0.02 -0.78 0.05 0.00 -0.37 0.00 0.00 57.07 55.99 1a6x s TYR 92 Cb -0.04 -0.60 -0.07 0.00 -0.40 0.00 0.00 41.96 40.84 1a6x s TYR 92 CO -0.00 0.02 0.13 0.54 -1.57 0.00 0.00 175.55 174.67 1a6x n ARG 93 N -0.04 1.30 -4.12 -0.62 1.74 -1.26 -0.81 116.66 112.86 1a6x n ARG 93 Ca -0.12 -0.04 -0.12 0.00 -0.77 0.00 0.00 57.85 56.81 1a6x n ARG 93 Cb 0.60 -1.04 -0.11 0.00 -1.02 0.00 0.00 32.46 30.90 1a6x n ARG 93 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1a6x s THR 94 N -2.16 0.60 -0.71 0.55 -4.23 -1.26 -1.48 115.64 106.95 1a6x s THR 94 Ca -0.01 -1.54 0.24 0.00 -1.18 0.00 0.00 61.69 59.20 1a6x s THR 94 Cb 0.03 -1.18 0.25 0.00 1.34 0.00 0.00 72.50 72.94 1a6x s THR 94 CO 0.21 -0.65 1.73 -0.81 -0.54 0.00 0.00 174.62 174.56 1a6x n PRO 95 N 0.66 0.17 -3.83 3.99 -0.04 -1.26 -4.88 135.00 129.80 1a6x n PRO 95 Ca -0.17 0.27 -0.09 0.00 -0.04 0.00 0.00 63.50 63.47 1a6x n PRO 95 Cb 0.58 -1.75 0.02 0.00 -0.04 0.00 0.00 33.50 32.31 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 -4.03 0.08 -0.05 3.54 0.01 -1.26 -5.01 113.70 106.99 1a6x s SER 96 Ca 0.08 -1.17 -0.25 0.00 1.31 0.00 0.00 55.95 55.92 1a6x s SER 96 Cb 0.12 0.84 -0.23 0.00 0.21 0.00 0.00 66.02 66.96 1a6x s SER 96 CO 0.47 -1.66 1.06 1.55 0.41 0.00 0.00 173.24 175.07 1a6x h PRO 97 N 2.01 0.15 -0.86 12.44 0.13 -1.96 -3.24 132.00 140.65 1a6x h PRO 97 Ca -0.32 -0.14 -0.35 0.00 -0.87 0.00 0.00 66.00 64.32 1a6x h PRO 97 Cb 1.25 0.04 -0.21 0.00 0.13 0.00 0.00 31.00 32.21 1a6x h PRO 97 CO 0.40 0.86 0.44 -0.40 -0.23 0.00 0.00 178.00 179.07 1a6x n ASP 98 N -4.56 4.41 -4.89 1.44 5.68 -1.26 -4.94 116.55 112.43 1a6x n ASP 98 Ca -0.09 -3.38 -0.22 0.00 -0.50 0.00 0.00 54.79 50.60 1a6x n ASP 98 Cb 0.46 -0.79 -0.03 0.00 -1.14 0.00 0.00 41.12 39.62 1a6x n ASP 98 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1a6x s ALA 99 N -3.11 3.75 1.17 2.12 0.00 -1.23 -5.10 121.76 119.37 1a6x s ALA 99 Ca 0.56 -1.32 -0.13 0.00 0.00 0.00 0.00 51.96 51.07 1a6x s ALA 99 Cb 0.46 -1.51 0.29 0.00 0.00 0.00 0.00 23.12 22.35 1a6x s ALA 99 CO 0.13 0.26 1.03 0.15 0.00 0.00 0.00 175.76 177.32 1a6x s LYS 100 N -3.88 -0.96 -0.11 0.00 1.02 -1.26 -4.77 119.74 109.78 1a6x s LYS 100 Ca 0.33 0.92 -0.03 0.00 0.02 0.00 0.00 55.97 57.22 1a6x s LYS 100 Cb -0.08 -1.54 -0.03 0.00 -0.52 0.00 0.00 37.83 35.65 1a6x s LYS 100 CO 0.27 -3.78 0.01 0.00 -0.92 0.00 0.00 175.35 170.93 1a6x s ALA 101 N -2.42 3.27 0.26 5.17 0.00 -1.26 -4.20 121.76 122.58 1a6x s ALA 101 Ca 0.69 -0.80 -0.05 0.00 0.00 0.00 0.00 51.96 51.80 1a6x s ALA 101 Cb -0.25 -1.55 0.31 0.00 0.00 0.00 0.00 23.12 21.62 1a6x s ALA 101 CO 0.65 0.49 1.94 0.74 0.00 0.00 0.00 175.76 179.57 1a6x h PHE 102 N 5.55 1.21 -3.12 0.00 0.04 -1.59 -3.37 116.94 115.67 1a6x h PHE 102 Ca -0.46 0.03 -0.58 0.00 2.80 0.00 0.00 57.97 59.76 1a6x h PHE 102 Cb 1.19 -0.41 -0.40 0.00 2.20 0.00 0.00 35.95 38.53 1a6x h PHE 102 CO 0.61 0.76 -0.76 0.42 -0.60 0.00 0.00 178.31 178.74 1a6x s ILE 103 N -6.07 0.79 -0.42 -0.55 -1.09 -1.26 -4.80 121.20 107.80 1a6x s ILE 103 Ca -0.13 -1.33 -0.28 0.00 -2.23 0.00 0.00 60.65 56.69 1a6x s ILE 103 Cb 0.18 -1.60 0.02 0.00 -1.58 0.00 0.00 42.46 39.49 1a6x s ILE 103 CO 0.81 -0.68 1.04 -1.83 -1.23 0.00 0.00 174.94 173.06 1a6x s GLU 104 N 1.66 3.79 -0.49 2.79 -1.05 -1.26 -4.93 118.70 119.21 1a6x s GLU 104 Ca 0.10 0.60 -0.46 0.00 -0.15 0.00 0.00 54.97 55.06 1a6x s GLU 104 Cb -0.17 -3.85 -0.19 0.00 -0.44 0.00 0.00 34.13 29.47 1a6x s GLU 104 CO -0.26 -1.16 1.81 0.28 0.95 0.00 0.00 175.26 176.87 1a6x n VAL 105 N 6.39 0.01 0.00 1.83 0.31 -1.26 -0.67 118.33 124.93 1a6x n VAL 105 Ca 0.10 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 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 5.29 1.24 3.68 2.92 0.00 -1.26 -5.11 105.19 111.95 1a6x n GLY 106 Ca 0.40 0.00 -0.25 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 -0.39 2.17 0.27 1.61 0.74 0.15 -5.01 119.66 119.19 1a6x s GLN 107 Ca 0.00 -1.78 0.09 0.00 0.05 0.00 0.00 55.36 53.72 1a6x s GLN 107 Cb 0.00 -1.96 -0.04 0.00 1.10 0.00 0.00 33.01 32.10 1a6x s GLN 107 CO 0.00 0.03 0.05 0.15 -0.55 0.00 0.00 175.29 174.96 1a6x s LYS 108 N -3.80 2.43 0.01 1.67 1.02 -1.26 -3.19 119.74 116.62 1a6x s LYS 108 Ca 0.37 -1.35 0.01 0.00 0.02 0.00 0.00 55.97 55.02 1a6x s LYS 108 Cb 0.02 -2.25 -0.01 0.00 -0.52 0.00 0.00 37.83 35.07 1a6x s LYS 108 CO 0.21 0.36 -0.03 0.14 -0.92 0.00 0.00 175.35 175.10 1a6x s VAL 109 N -2.29 0.23 0.11 3.17 -7.23 -0.41 -5.03 120.40 108.95 1a6x s VAL 109 Ca 0.32 -0.39 0.08 0.00 -1.81 0.00 0.00 61.98 60.18 1a6x s VAL 109 Cb -0.06 -0.25 -0.04 0.00 0.56 0.00 0.00 36.38 36.59 1a6x s VAL 109 CO 0.21 -0.11 -0.20 0.20 -0.31 0.00 0.00 175.10 174.90 1a6x s ASN 110 N -0.53 2.48 -0.53 4.85 0.01 -1.26 -0.86 114.94 119.11 1a6x s ASN 110 Ca -0.04 -0.72 -0.43 0.00 -0.71 0.00 0.00 52.86 50.96 1a6x s ASN 110 Cb -0.04 -0.13 -0.19 0.00 0.41 0.00 0.00 41.25 41.30 1a6x s ASN 110 CO -0.00 0.02 2.18 0.55 -1.51 0.00 0.00 177.10 178.34 1a6x n VAL 111 N 0.93 0.00 0.00 1.60 3.14 -1.26 0.77 118.33 123.51 1a6x n VAL 111 Ca -0.18 -0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.20 1a6x n VAL 111 Cb 0.54 -0.51 0.00 0.00 -1.06 0.00 0.00 33.84 32.82 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 7.43 1.62 3.74 7.55 0.00 -1.18 -5.02 105.19 119.32 1a6x n GLY 112 Ca 0.56 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.33 7.30 1.16 1.61 1.01 0.23 -4.76 116.67 121.90 1a6x s ASP 113 Ca 0.00 1.56 -0.18 0.00 0.71 0.00 0.00 52.55 54.64 1a6x s ASP 113 Cb 0.00 -2.51 0.18 0.00 1.01 0.00 0.00 42.92 41.60 1a6x s ASP 113 CO 0.00 -0.01 0.31 0.41 0.21 0.00 0.00 175.17 176.09 1a6x n THR 114 N 2.81 0.00 0.00 -1.27 -1.04 -1.26 -0.21 114.28 113.31 1a6x n THR 114 Ca -0.01 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 1a6x n THR 114 Cb 0.50 -0.69 0.00 0.00 -1.82 0.00 0.00 70.33 68.32 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 -2.62 0.21 0.00 -4.42 7.94 0.83 -4.34 117.00 114.60 1a6x n LEU 115 Ca 0.03 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 54.94 1a6x n LEU 115 Cb 0.56 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.52 1a6x n LEU 115 CO 0.47 -0.20 0.35 0.00 -1.11 0.00 0.00 177.39 176.90 1a6x s ILE 117 N -2.04 1.75 -0.08 0.00 1.01 0.01 0.22 121.20 122.06 1a6x s ILE 117 Ca 0.10 -2.21 -0.03 0.00 0.00 0.00 0.00 60.65 58.50 1a6x s ILE 117 Cb -0.00 -2.08 0.05 0.00 0.01 0.00 0.00 42.46 40.44 1a6x s ILE 117 CO -0.01 -0.57 0.17 -0.69 0.00 0.00 0.00 174.94 173.84 1a6x s VAL 118 N -2.97 -0.21 -0.02 2.92 1.01 0.13 -0.27 120.40 120.99 1a6x s VAL 118 Ca 0.23 0.30 -0.29 0.00 0.00 0.00 0.00 61.98 62.22 1a6x s VAL 118 Cb -0.01 -0.29 -0.03 0.00 0.00 0.00 0.00 36.38 36.05 1a6x s VAL 118 CO 0.07 0.12 0.97 -0.70 0.00 0.00 0.00 175.10 175.56 1a6x s GLU 119 N 1.98 4.53 0.01 2.72 2.12 0.14 -0.62 118.70 129.57 1a6x s GLU 119 Ca -0.01 1.38 -0.29 0.00 0.36 0.00 0.00 54.97 56.41 1a6x s GLU 119 Cb -0.12 -3.47 0.11 0.00 0.26 0.00 0.00 34.13 30.91 1a6x s GLU 119 CO -0.06 -0.09 1.25 0.00 -0.54 0.00 0.00 175.26 175.82 1a6x s ALA 120 N 1.16 -2.18 -1.63 6.30 0.00 -0.53 -1.14 121.76 123.74 1a6x s ALA 120 Ca 0.50 0.57 -0.09 0.00 0.00 0.00 0.00 51.96 52.95 1a6x s ALA 120 Cb -0.20 0.43 0.08 0.00 0.00 0.00 0.00 23.12 23.43 1a6x s ALA 120 CO 0.26 -1.06 0.33 0.00 0.00 0.00 0.00 175.76 175.29 1a6x n MET 121 N -0.52 -1.61 -4.24 0.00 0.00 -1.26 0.24 117.12 109.73 1a6x n MET 121 Ca -0.07 0.20 -0.33 0.00 0.00 0.00 0.00 57.70 57.49 1a6x n MET 121 Cb 0.62 -4.24 -0.07 0.00 0.00 0.00 0.00 33.22 29.53 1a6x n MET 121 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1a6x n LYS 122 N -4.40 -1.04 -3.62 3.17 4.81 -1.26 -4.87 118.16 110.95 1a6x n LYS 122 Ca -0.16 0.12 -0.02 0.00 -0.87 0.00 0.00 58.31 57.38 1a6x n LYS 122 Cb 0.61 -3.49 -0.02 0.00 0.02 0.00 0.00 35.03 32.14 1a6x n LYS 122 CO 0.00 0.00 0.00 1.41 1.17 0.00 0.00 177.40 179.98 1a6x s MET 123 N -7.31 0.14 0.07 1.64 1.75 0.14 -5.15 119.30 110.58 1a6x s MET 123 Ca 0.09 -0.06 -0.28 0.00 -1.25 0.00 0.00 55.69 54.19 1a6x s MET 123 Cb -0.05 0.06 -0.05 0.00 2.84 0.00 0.00 34.83 37.63 1a6x s MET 123 CO 0.98 -0.06 0.87 0.00 -0.65 0.00 0.00 175.02 176.17 1a6x s MET 124 N -2.18 4.60 -0.31 4.11 0.23 -1.26 -1.46 119.30 123.03 1a6x s MET 124 Ca 0.11 1.28 0.02 0.00 -1.03 0.00 0.00 55.69 56.06 1a6x s MET 124 Cb -0.00 -3.38 0.09 0.00 -1.53 0.00 0.00 34.83 30.02 1a6x s MET 124 CO -0.03 0.23 0.04 -0.80 -2.03 0.00 0.00 175.02 172.43 1a6x s ASN 125 N 0.03 4.30 0.68 -1.18 0.01 0.20 -4.95 114.94 114.04 1a6x s ASN 125 Ca 0.43 -1.75 -0.13 0.00 -0.71 0.00 0.00 52.86 50.70 1a6x s ASN 125 Cb -0.22 -1.25 0.01 0.00 0.41 0.00 0.00 41.25 40.19 1a6x s ASN 125 CO 0.27 -0.36 1.08 -1.10 -1.51 0.00 0.00 177.10 175.47 1a6x s GLN 126 N 1.27 2.82 -0.18 -0.60 -0.21 -1.26 0.22 119.66 121.71 1a6x s GLN 126 Ca 0.07 1.16 0.00 0.00 0.02 0.00 0.00 55.36 56.61 1a6x s GLN 126 Cb -0.18 -1.97 0.04 0.00 1.00 0.00 0.00 33.01 31.90 1a6x s GLN 126 CO -0.14 -1.21 -0.10 0.42 -2.12 0.00 0.00 175.29 172.15 1a6x s ILE 127 N -2.72 1.50 0.08 1.08 1.01 0.13 -4.85 121.20 117.43 1a6x s ILE 127 Ca 0.62 -0.85 -0.12 0.00 0.00 0.00 0.00 60.65 60.30 1a6x s ILE 127 Cb -0.17 -1.57 -0.06 0.00 0.01 0.00 0.00 42.46 40.68 1a6x s ILE 127 CO 0.48 0.21 0.43 -0.70 0.00 0.00 0.00 174.94 175.36 1a6x s GLU 128 N 1.47 3.83 0.30 2.79 2.12 -1.26 -0.12 118.70 127.84 1a6x s GLU 128 Ca 0.00 0.29 -0.30 0.00 0.36 0.00 0.00 54.97 55.32 1a6x s GLU 128 Cb -0.15 -3.03 -0.11 0.00 0.26 0.00 0.00 34.13 31.09 1a6x s GLU 128 CO -0.08 0.57 1.59 0.00 -0.54 0.00 0.00 175.26 176.80 1a6x s ALA 129 N -1.35 3.74 -0.07 6.30 0.00 0.71 -4.84 121.76 126.26 1a6x s ALA 129 Ca 0.32 1.59 0.10 0.00 0.00 0.00 0.00 51.96 53.96 1a6x s ALA 129 Cb -0.15 -3.65 0.15 0.00 0.00 0.00 0.00 23.12 19.47 1a6x s ALA 129 CO 0.17 -1.01 1.07 -0.40 0.00 0.00 0.00 175.76 175.60 1a6x n ASP 130 N 2.02 2.16 -2.96 0.00 5.75 -1.26 -3.13 116.55 119.13 1a6x n ASP 130 Ca 0.08 -2.55 0.02 0.00 -0.01 0.00 0.00 54.79 52.33 1a6x n ASP 130 Cb 0.37 -0.22 -0.00 0.00 -1.03 0.00 0.00 41.12 40.25 1a6x n ASP 130 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1a6x s LYS 131 N -1.94 0.39 0.24 0.11 2.20 -1.26 -5.00 119.74 114.49 1a6x s LYS 131 Ca 0.16 -0.08 -0.25 0.00 -0.36 0.00 0.00 55.97 55.44 1a6x s LYS 131 Cb 0.14 0.06 -0.16 0.00 -1.51 0.00 0.00 37.83 36.36 1a6x s LYS 131 CO 0.02 -0.59 0.40 -1.13 -0.36 0.00 0.00 175.35 173.69 1a6x n SER 132 N 4.11 -1.58 -1.97 1.43 3.41 -1.26 -4.87 113.62 112.89 1a6x n SER 132 Ca 0.08 1.02 0.01 0.00 -0.26 0.00 0.00 58.87 59.71 1a6x n SER 132 Cb 0.60 -0.90 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 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 2.01 0.44 3.68 5.00 0.00 -0.04 -4.95 105.19 111.32 1a6x n GLY 133 Ca 0.16 -0.90 -0.24 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.08 2.83 0.66 2.61 2.01 -1.25 -1.29 115.64 119.13 1a6x s THR 134 Ca 0.10 -1.84 -0.17 0.00 0.31 0.00 0.00 61.69 60.09 1a6x s THR 134 Cb -0.00 -2.89 -0.00 0.00 0.01 0.00 0.00 72.50 69.62 1a6x s THR 134 CO -0.00 -0.19 1.25 0.54 -0.69 0.00 0.00 174.62 175.52 1a6x s VAL 135 N -2.47 2.24 0.00 3.82 0.11 -1.19 0.14 120.40 123.04 1a6x s VAL 135 Ca 0.36 0.14 0.00 0.00 -2.93 0.00 0.00 61.98 59.55 1a6x s VAL 135 Cb -0.01 -2.97 0.00 0.00 -1.53 0.00 0.00 36.38 31.87 1a6x s VAL 135 CO 0.21 -0.04 0.00 1.17 -3.33 0.00 0.00 175.10 173.11 1a6x n LYS 136 N -2.04 0.00 0.00 1.54 4.81 0.27 -4.27 118.16 118.47 1a6x n LYS 136 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 1a6x n LYS 136 Cb 0.49 -0.31 0.00 0.00 0.02 0.00 0.00 35.03 35.23 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 -2.60 0.00 -2.75 3.14 0.00 0.18 -4.95 120.51 113.53 1a6x n ALA 137 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1a6x n ALA 137 Cb 0.23 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.57 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 -1.13 5.02 -0.23 0.00 1.01 -1.26 0.18 121.20 124.78 1a6x s ILE 138 Ca 0.00 0.06 -0.07 0.00 0.00 0.00 0.00 60.65 60.64 1a6x s ILE 138 Cb 0.00 -3.34 -0.18 0.00 0.01 0.00 0.00 42.46 38.95 1a6x s ILE 138 CO 0.00 0.34 -0.07 0.18 0.00 0.00 0.00 174.94 175.39 1a6x n LEU 139 N 4.51 2.49 -4.75 2.97 4.77 -0.73 -4.92 117.00 121.35 1a6x n LEU 139 Ca -0.15 0.14 -0.41 0.00 -0.03 0.00 0.00 56.01 55.56 1a6x n LEU 139 Cb 0.52 -0.94 -0.04 0.00 -2.33 0.00 0.00 43.42 40.63 1a6x n LEU 139 CO 0.34 0.74 0.86 0.54 -1.33 0.00 0.00 177.39 178.54 1a6x s VAL 140 N -2.50 3.40 -0.51 4.08 0.11 -0.15 -4.99 120.40 119.85 1a6x s VAL 140 Ca -0.32 1.30 -0.18 0.00 -2.93 0.00 0.00 61.98 59.84 1a6x s VAL 140 Cb 0.10 -3.83 0.07 0.00 -1.53 0.00 0.00 36.38 31.19 1a6x s VAL 140 CO 0.61 0.26 0.57 -0.70 -3.33 0.00 0.00 175.10 172.51 1a6x s GLU 141 N -0.93 3.07 -0.64 1.54 -6.30 -1.26 -4.96 118.70 109.23 1a6x s GLU 141 Ca 0.49 -1.10 -0.31 0.00 -2.50 0.00 0.00 54.97 51.55 1a6x s GLU 141 Cb -0.33 -4.14 -0.17 0.00 0.00 0.00 0.00 34.13 29.49 1a6x s GLU 141 CO 0.41 -1.22 2.03 -1.13 0.02 0.00 0.00 175.26 175.37 1a6x n SER 142 N 5.90 0.42 0.00 -1.70 3.41 -1.25 0.91 113.62 121.30 1a6x n SER 142 Ca -0.09 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.87 1a6x n SER 142 Cb 0.44 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 1a6x n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a6x n GLY 143 N 5.81 1.03 3.92 5.00 0.00 0.49 -4.82 105.19 116.62 1a6x n GLY 143 Ca 0.51 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.24 1a6x n GLY 143 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1a6x s GLN 144 N 0.00 3.52 0.25 1.61 -2.07 0.26 -4.85 119.66 118.38 1a6x s GLN 144 Ca 0.00 -0.34 -0.30 0.00 -1.82 0.00 0.00 55.36 52.90 1a6x s GLN 144 Cb 0.00 -2.88 -0.09 0.00 -1.09 0.00 0.00 33.01 28.95 1a6x s GLN 144 CO 0.00 0.45 1.09 -1.25 -1.32 0.00 0.00 175.29 174.26 1a6x s PRO 145 N -3.10 4.64 0.36 9.60 0.04 -1.26 -1.09 135.00 144.20 1a6x s PRO 145 Ca 0.38 1.77 0.09 0.00 0.04 0.00 0.00 61.00 63.27 1a6x s PRO 145 Cb -0.11 -3.22 -0.07 0.00 0.04 0.00 0.00 34.50 31.14 1a6x s PRO 145 CO 0.28 0.20 -0.05 0.14 0.04 0.00 0.00 177.00 177.61 1a6x s VAL 146 N -0.94 2.23 0.06 -0.36 -7.23 0.14 -4.88 120.40 109.41 1a6x s VAL 146 Ca 0.45 -2.11 0.03 0.00 -1.81 0.00 0.00 61.98 58.54 1a6x s VAL 146 Cb -0.31 -2.77 -0.03 0.00 0.56 0.00 0.00 36.38 33.83 1a6x s VAL 146 CO 0.39 -0.14 -0.08 -0.70 -0.31 0.00 0.00 175.10 174.25 1a6x s GLU 147 N -3.66 0.65 0.32 4.82 2.12 -1.26 -1.42 118.70 120.27 1a6x s GLU 147 Ca 0.34 -0.94 -0.29 0.00 0.36 0.00 0.00 54.97 54.44 1a6x s GLU 147 Cb 0.04 -0.35 -0.11 0.00 0.26 0.00 0.00 34.13 33.98 1a6x s GLU 147 CO 0.17 0.05 1.52 0.12 -0.54 0.00 0.00 175.26 176.59 1a6x s PHE 148 N -1.95 2.72 0.00 5.30 2.19 -1.25 -1.11 117.98 123.88 1a6x s PHE 148 Ca -0.03 0.99 0.00 0.00 0.33 0.00 0.00 56.93 58.21 1a6x s PHE 148 Cb -0.06 -4.01 0.00 0.00 -1.31 0.00 0.00 43.02 37.64 1a6x s PHE 148 CO -0.01 -3.19 0.00 -3.47 1.83 0.00 0.00 175.22 170.38 1a6x n ASP 149 N 1.44 0.00 -4.84 6.13 2.03 -1.10 -5.01 116.55 115.19 1a6x n ASP 149 Ca 0.05 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 55.00 1a6x n ASP 149 Cb 0.39 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.73 1a6x n ASP 149 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1a6x s GLU 150 N -0.27 4.01 0.82 -0.67 2.02 -0.27 -4.90 118.70 119.44 1a6x s GLU 150 Ca 0.00 0.53 -0.12 0.00 0.02 0.00 0.00 54.97 55.40 1a6x s GLU 150 Cb 0.00 -2.96 0.08 0.00 0.10 0.00 0.00 34.13 31.35 1a6x s GLU 150 CO 0.00 0.49 1.10 -1.25 0.02 0.00 0.00 175.26 175.63 1a6x s PRO 151 N -1.87 1.90 0.00 0.39 0.04 -1.26 0.29 135.00 134.49 1a6x s PRO 151 Ca 0.37 0.58 0.00 0.00 0.04 0.00 0.00 61.00 61.99 1a6x s PRO 151 Cb -0.15 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1a6x s PRO 151 CO 0.19 -1.73 0.00 1.28 0.04 0.00 0.00 177.00 176.78 1a6x n LEU 152 N -3.50 0.00 -4.55 -3.56 4.77 0.33 -4.60 117.00 105.90 1a6x n LEU 152 Ca 0.07 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.79 1a6x n LEU 152 Cb 0.57 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.56 1a6x n LEU 152 CO 0.57 -0.03 -0.42 -0.69 -1.33 0.00 0.00 177.39 175.49 1a6x s VAL 153 N -0.05 3.03 -0.20 4.08 1.01 -1.24 -0.97 120.40 126.05 1a6x s VAL 153 Ca 0.00 -1.81 -0.04 0.00 0.00 0.00 0.00 61.98 60.13 1a6x s VAL 153 Cb 0.00 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 1a6x s VAL 153 CO 0.00 -0.17 -0.02 -0.69 0.00 0.00 0.00 175.10 174.22 1a6x s VAL 154 N -1.84 3.70 0.32 2.92 1.01 0.47 -0.56 120.40 126.41 1a6x s VAL 154 Ca 0.25 -0.40 0.09 0.00 0.00 0.00 0.00 61.98 61.92 1a6x s VAL 154 Cb -0.08 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.59 1a6x s VAL 154 CO 0.15 0.43 0.07 -0.63 0.00 0.00 0.00 175.10 175.12 1a6x s ILE 155 N 1.13 3.03 -0.20 2.22 1.09 -0.12 -0.57 121.20 127.78 1a6x s ILE 155 Ca 0.02 -1.82 0.02 0.00 -1.10 0.00 0.00 60.65 57.77 1a6x s ILE 155 Cb -0.15 -2.90 0.01 0.00 -1.06 0.00 0.00 42.46 38.36 1a6x s ILE 155 CO 0.00 -0.23 0.55 1.21 -0.10 0.00 0.00 174.94 176.37