#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 0.00 -1.47 3.17 4.07 -1.26 -5.08 120.64 120.07 1a6x n GLU 71 Ca 0.00 0.00 -0.40 0.00 -0.06 0.00 0.00 57.16 56.70 1a6x n GLU 71 Cb 0.00 0.00 -0.15 0.00 -0.06 0.00 0.00 31.44 31.23 1a6x n GLU 71 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1a6x n ALA 72 N -2.99 0.29 -2.31 4.31 0.00 -1.26 -4.73 120.51 113.81 1a6x n ALA 72 Ca 0.00 -0.28 -0.35 0.00 0.00 0.00 0.00 53.44 52.81 1a6x n ALA 72 Cb 0.00 -2.22 -0.04 0.00 0.00 0.00 0.00 19.45 17.19 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 8.79 3.06 0.58 0.00 0.04 -1.26 -4.77 135.00 141.44 1a6x s PRO 73 Ca 1.33 -0.57 0.00 0.00 0.04 0.00 0.00 61.00 61.80 1a6x s PRO 73 Cb -1.23 -5.06 0.00 0.00 0.04 0.00 0.00 34.50 28.25 1a6x s PRO 73 CO 0.48 -2.72 0.00 0.00 0.04 0.00 0.00 177.00 174.80 1a6x n ALA 74 N 11.30 -3.09 -1.94 8.56 0.00 -1.26 -4.24 120.51 129.85 1a6x n ALA 74 Ca 0.32 0.77 -0.34 0.00 0.00 0.00 0.00 53.44 54.20 1a6x n ALA 74 Cb 0.49 -1.47 -0.05 0.00 0.00 0.00 0.00 19.45 18.42 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 -3.74 2.45 0.00 0.00 0.00 -0.65 -4.46 120.51 114.11 1a6x n ALA 75 Ca -0.07 -3.21 0.00 0.00 0.00 0.00 0.00 53.44 50.16 1a6x n ALA 75 Cb 0.59 -3.53 0.00 0.00 0.00 0.00 0.00 19.45 16.51 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 11.97 0.00 -2.70 0.00 0.00 -1.26 -3.36 120.51 125.17 1a6x n ALA 76 Ca 0.47 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.84 1a6x n ALA 76 Cb 0.45 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.00 1a6x n ALA 76 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1a6x n GLU 77 N 0.00 0.62 -3.60 0.00 0.28 -1.26 -5.06 120.64 111.62 1a6x n GLU 77 Ca 0.00 -1.35 -0.05 0.00 -0.16 0.00 0.00 57.16 55.59 1a6x n GLU 77 Cb 0.00 -0.58 -0.03 0.00 1.43 0.00 0.00 31.44 32.25 1a6x n GLU 77 CO 0.00 0.00 0.00 -1.50 -0.16 0.00 0.00 177.13 175.47 1a6x s ILE 78 N 0.16 0.00 -0.37 3.84 2.07 -1.21 -5.13 121.20 120.55 1a6x s ILE 78 Ca 0.21 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.46 1a6x s ILE 78 Cb 0.29 -1.00 0.18 0.00 0.13 0.00 0.00 42.46 42.06 1a6x s ILE 78 CO -0.12 0.00 0.80 -0.44 -1.91 0.00 0.00 174.94 173.27 1a6x s SER 79 N -1.64 -1.06 0.00 4.50 0.01 -1.26 -1.64 113.70 112.61 1a6x s SER 79 Ca 0.06 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.80 1a6x s SER 79 Cb -0.01 1.36 0.00 0.00 0.21 0.00 0.00 66.02 67.58 1a6x s SER 79 CO -0.04 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.10 1a6x n GLY 80 N 4.16 -0.17 3.09 3.44 0.00 -1.23 -4.85 105.19 109.63 1a6x n GLY 80 Ca 0.09 0.57 -0.34 0.00 0.00 0.00 0.00 46.02 46.33 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 0.00 3.61 -0.16 1.61 2.46 0.13 -4.95 115.29 118.01 1a6x s HIS 81 Ca 0.00 -2.56 -0.27 0.00 0.47 0.00 0.00 55.06 52.70 1a6x s HIS 81 Cb 0.00 -3.00 -0.01 0.00 -0.13 0.00 0.00 32.58 29.44 1a6x s HIS 81 CO 0.00 -0.95 0.91 0.42 -2.47 0.00 0.00 174.74 172.65 1a6x s ILE 82 N 1.07 4.83 -0.32 0.89 -1.09 -1.26 -1.10 121.20 124.22 1a6x s ILE 82 Ca 0.08 1.80 -0.23 0.00 -2.23 0.00 0.00 60.65 60.07 1a6x s ILE 82 Cb -0.21 -4.21 0.00 0.00 -1.58 0.00 0.00 42.46 36.46 1a6x s ILE 82 CO -0.05 -0.00 0.75 -0.69 -1.23 0.00 0.00 174.94 173.71 1a6x s VAL 83 N 2.22 4.81 -0.22 2.92 1.01 0.18 -4.96 120.40 126.36 1a6x s VAL 83 Ca 0.42 1.01 -0.06 0.00 0.00 0.00 0.00 61.98 63.35 1a6x s VAL 83 Cb -0.17 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.05 1a6x s VAL 83 CO 0.13 -0.28 0.04 -0.13 0.00 0.00 0.00 175.10 174.87 1a6x s ARG 84 N 2.91 3.69 -0.33 2.72 0.52 -1.26 0.18 118.95 127.38 1a6x s ARG 84 Ca 0.30 -0.47 -0.31 0.00 -0.52 0.00 0.00 55.73 54.73 1a6x s ARG 84 Cb -0.14 -3.21 -0.09 0.00 0.52 0.00 0.00 34.95 32.03 1a6x s ARG 84 CO 0.14 -0.04 2.25 0.45 0.02 0.00 0.00 175.30 178.11 1a6x n SER 85 N 4.46 2.55 0.00 0.23 2.88 0.14 -4.77 113.62 119.11 1a6x n SER 85 Ca -0.17 0.22 0.12 0.00 -1.33 0.00 0.00 58.87 57.71 1a6x n SER 85 Cb 0.52 -1.41 0.70 0.00 -0.75 0.00 0.00 64.21 63.27 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 8.53 0.75 -3.97 -1.46 -0.04 -1.26 -2.69 135.00 134.86 1a6x n PRO 86 Ca 0.37 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.74 1a6x n PRO 86 Cb 0.34 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 32.22 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 0.51 -0.04 0.54 1.75 -1.26 -4.89 119.30 113.92 1a6x s MET 87 Ca 0.35 -0.79 -0.13 0.00 -1.25 0.00 0.00 55.69 53.87 1a6x s MET 87 Cb 0.16 0.19 -0.05 0.00 2.84 0.00 0.00 34.83 37.97 1a6x s MET 87 CO 0.27 -0.11 0.36 0.08 -0.65 0.00 0.00 175.02 174.96 1a6x s VAL 88 N -2.50 5.14 0.00 10.11 1.01 -1.26 -4.09 120.40 128.81 1a6x s VAL 88 Ca -0.06 0.71 0.00 0.00 0.00 0.00 0.00 61.98 62.63 1a6x s VAL 88 Cb -0.02 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1a6x s VAL 88 CO -0.04 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1a6x n GLY 89 N 2.03 -0.59 3.17 4.51 0.00 -0.51 -4.70 105.19 109.10 1a6x n GLY 89 Ca -0.15 0.17 -0.11 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 0.55 -0.03 2.61 2.01 0.15 -0.19 115.64 120.74 1a6x s THR 90 Ca 0.00 -1.92 0.04 0.00 0.31 0.00 0.00 61.69 60.12 1a6x s THR 90 Cb 0.00 -1.79 -0.00 0.00 0.01 0.00 0.00 72.50 70.72 1a6x s THR 90 CO 0.00 -0.77 -0.15 0.12 -0.69 0.00 0.00 174.62 173.14 1a6x s PHE 91 N -3.72 1.42 0.14 4.92 2.19 -0.28 -0.29 117.98 122.35 1a6x s PHE 91 Ca 0.15 -0.36 0.04 0.00 0.33 0.00 0.00 56.93 57.10 1a6x s PHE 91 Cb 0.06 -0.96 -0.04 0.00 -1.31 0.00 0.00 43.02 40.77 1a6x s PHE 91 CO -0.03 -0.10 -0.10 0.71 1.83 0.00 0.00 175.22 177.53 1a6x s TYR 92 N -0.05 1.22 -0.07 10.12 2.02 0.46 0.18 117.35 131.23 1a6x s TYR 92 Ca -0.01 -0.77 0.06 0.00 -0.37 0.00 0.00 57.07 55.98 1a6x s TYR 92 Cb -0.09 -0.63 -0.08 0.00 -0.40 0.00 0.00 41.96 40.76 1a6x s TYR 92 CO 0.01 0.05 0.15 0.54 -1.57 0.00 0.00 175.55 174.74 1a6x n ARG 93 N -0.13 1.38 -4.13 -0.62 1.74 -1.26 -0.54 116.66 113.09 1a6x n ARG 93 Ca -0.11 -0.04 -0.12 0.00 -0.77 0.00 0.00 57.85 56.81 1a6x n ARG 93 Cb 0.60 -1.05 -0.11 0.00 -1.02 0.00 0.00 32.46 30.89 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 -2.19 0.69 -0.97 0.55 -4.23 -1.26 -1.49 115.64 106.75 1a6x s THR 94 Ca -0.01 -1.56 0.22 0.00 -1.18 0.00 0.00 61.69 59.16 1a6x s THR 94 Cb 0.04 -1.22 0.19 0.00 1.34 0.00 0.00 72.50 72.85 1a6x s THR 94 CO 0.24 -0.62 1.70 -0.81 -0.54 0.00 0.00 174.62 174.58 1a6x n PRO 95 N 0.64 0.02 -3.84 3.99 -0.04 -1.26 -4.88 135.00 129.63 1a6x n PRO 95 Ca -0.17 0.14 -0.06 0.00 -0.04 0.00 0.00 63.50 63.37 1a6x n PRO 95 Cb 0.58 -1.53 0.02 0.00 -0.04 0.00 0.00 33.50 32.53 1a6x n PRO 95 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1a6x s SER 96 N -3.12 0.00 -0.08 3.54 0.15 -1.26 -5.01 113.70 107.92 1a6x s SER 96 Ca 0.10 -0.94 -0.27 0.00 0.70 0.00 0.00 55.95 55.55 1a6x s SER 96 Cb 0.14 0.70 -0.22 0.00 -1.71 0.00 0.00 66.02 64.93 1a6x s SER 96 CO 0.41 -1.39 0.98 1.55 1.20 0.00 0.00 173.24 175.99 1a6x h PRO 97 N 2.00 -0.02 -1.03 5.44 0.13 -1.96 -3.25 132.00 133.30 1a6x h PRO 97 Ca -0.30 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.38 1a6x h PRO 97 Cb 1.24 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.12 1a6x h PRO 97 CO 0.39 0.70 0.58 -0.40 -0.23 0.00 0.00 178.00 179.03 1a6x n ASP 98 N -4.74 4.30 -4.65 1.44 5.68 -1.26 -4.91 116.55 112.41 1a6x n ASP 98 Ca -0.09 -3.37 -0.26 0.00 -0.50 0.00 0.00 54.79 50.57 1a6x n ASP 98 Cb 0.36 -0.82 -0.08 0.00 -1.14 0.00 0.00 41.12 39.43 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 -2.80 3.16 1.17 2.12 0.00 -1.23 -5.11 121.76 119.07 1a6x s ALA 99 Ca 0.48 -1.39 -0.15 0.00 0.00 0.00 0.00 51.96 50.90 1a6x s ALA 99 Cb 0.40 -0.94 0.23 0.00 0.00 0.00 0.00 23.12 22.80 1a6x s ALA 99 CO 0.07 0.47 0.62 1.63 0.00 0.00 0.00 175.76 178.55 1a6x n LYS 100 N -0.11 -2.23 -4.31 0.00 4.01 -1.26 -4.76 118.16 109.50 1a6x n LYS 100 Ca -0.10 -0.63 -0.35 0.00 -0.51 0.00 0.00 58.31 56.73 1a6x n LYS 100 Cb 0.55 -1.98 -0.10 0.00 -0.51 0.00 0.00 35.03 33.00 1a6x n LYS 100 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1a6x s ALA 101 N -2.33 3.29 0.25 7.82 0.00 -1.26 -4.27 121.76 125.27 1a6x s ALA 101 Ca 0.64 -0.79 -0.04 0.00 0.00 0.00 0.00 51.96 51.76 1a6x s ALA 101 Cb -0.20 -1.56 0.35 0.00 0.00 0.00 0.00 23.12 21.70 1a6x s ALA 101 CO 0.66 0.50 1.88 0.74 0.00 0.00 0.00 175.76 179.54 1a6x h PHE 102 N 5.51 1.15 -3.21 0.00 0.04 -1.59 -3.37 116.94 115.47 1a6x h PHE 102 Ca -0.47 0.03 -0.56 0.00 2.80 0.00 0.00 57.97 59.77 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 0.62 0.62 -0.76 -1.50 -0.60 0.00 0.00 178.31 176.69 1a6x s ILE 103 N -6.06 0.79 -0.40 -0.55 1.10 -1.26 -4.84 121.20 109.97 1a6x s ILE 103 Ca -0.13 -1.12 -0.27 0.00 -0.51 0.00 0.00 60.65 58.63 1a6x s ILE 103 Cb 0.19 -1.47 0.02 0.00 0.15 0.00 0.00 42.46 41.36 1a6x s ILE 103 CO 0.81 -0.50 1.01 -0.70 -2.11 0.00 0.00 174.94 173.45 1a6x s GLU 104 N 1.69 3.81 -0.50 3.50 2.12 -1.26 -4.93 118.70 123.13 1a6x s GLU 104 Ca 0.05 0.61 -0.46 0.00 0.36 0.00 0.00 54.97 55.53 1a6x s GLU 104 Cb -0.17 -3.84 -0.20 0.00 0.26 0.00 0.00 34.13 30.18 1a6x s GLU 104 CO -0.19 -1.10 1.80 0.28 -0.54 0.00 0.00 175.26 175.51 1a6x n VAL 105 N 6.25 0.00 0.00 3.70 0.31 -1.26 -0.84 118.33 126.50 1a6x n VAL 105 Ca 0.09 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 1a6x n VAL 105 Cb 0.48 -0.51 0.00 0.00 -0.91 0.00 0.00 33.84 32.91 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 1.33 3.63 2.92 0.00 -1.26 -5.12 105.19 111.99 1a6x n GLY 106 Ca 0.40 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.36 2.02 0.34 1.61 0.74 -0.02 -5.01 119.66 118.98 1a6x s GLN 107 Ca 0.00 -1.90 0.08 0.00 0.05 0.00 0.00 55.36 53.59 1a6x s GLN 107 Cb 0.00 -1.82 -0.04 0.00 1.10 0.00 0.00 33.01 32.25 1a6x s GLN 107 CO 0.00 0.03 0.15 0.21 -0.55 0.00 0.00 175.29 175.14 1a6x s LYS 108 N -3.73 2.40 -0.04 1.67 2.20 -1.26 -3.06 119.74 117.92 1a6x s LYS 108 Ca 0.36 -1.53 -0.05 0.00 -0.36 0.00 0.00 55.97 54.39 1a6x s LYS 108 Cb 0.04 -2.20 0.01 0.00 -1.51 0.00 0.00 37.83 34.17 1a6x s LYS 108 CO 0.19 0.11 0.13 0.14 -0.36 0.00 0.00 175.35 175.56 1a6x s VAL 109 N -2.42 0.03 0.10 4.02 -7.23 -0.25 -5.01 120.40 109.64 1a6x s VAL 109 Ca 0.38 -0.21 0.10 0.00 -1.81 0.00 0.00 61.98 60.44 1a6x s VAL 109 Cb -0.03 -0.26 -0.04 0.00 0.56 0.00 0.00 36.38 36.62 1a6x s VAL 109 CO 0.23 -0.11 -0.26 0.20 -0.31 0.00 0.00 175.10 174.85 1a6x s ASN 110 N -0.35 3.14 -0.55 4.85 0.01 -1.26 -0.73 114.94 120.05 1a6x s ASN 110 Ca -0.04 -0.70 -0.42 0.00 -0.71 0.00 0.00 52.86 50.99 1a6x s ASN 110 Cb -0.03 -0.22 -0.19 0.00 0.41 0.00 0.00 41.25 41.22 1a6x s ASN 110 CO 0.00 0.18 2.17 0.55 -1.51 0.00 0.00 177.10 178.50 1a6x n VAL 111 N 1.15 0.00 0.00 1.60 3.14 -1.26 0.42 118.33 123.39 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 0.53 -0.49 0.00 0.00 -1.06 0.00 0.00 33.84 32.81 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 7.32 1.78 3.76 7.55 0.00 -1.20 -5.01 105.19 119.39 1a6x n GLY 112 Ca 0.56 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.35 7.10 1.14 1.61 1.01 0.17 -4.82 116.67 121.53 1a6x s ASP 113 Ca 0.00 1.31 -0.18 0.00 0.71 0.00 0.00 52.55 54.39 1a6x s ASP 113 Cb 0.00 -2.42 0.16 0.00 1.01 0.00 0.00 42.92 41.67 1a6x s ASP 113 CO 0.00 0.08 0.21 0.41 0.21 0.00 0.00 175.17 176.07 1a6x n THR 114 N 2.66 0.00 0.00 -1.27 -1.04 -1.26 0.13 114.28 113.50 1a6x n THR 114 Ca -0.05 -0.25 0.00 0.00 -2.04 0.00 0.00 64.05 61.71 1a6x n THR 114 Cb 0.51 -0.65 0.00 0.00 -1.82 0.00 0.00 70.33 68.37 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 -2.21 0.17 0.00 -4.42 -0.00 0.43 -4.22 117.00 106.75 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 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.99 1a6x n LEU 115 CO 0.46 -0.21 0.25 0.00 -0.00 0.00 0.00 177.39 177.89 1a6x s ILE 117 N -2.23 1.74 -0.09 0.00 1.09 0.29 -0.12 121.20 121.88 1a6x s ILE 117 Ca 0.07 -2.07 -0.03 0.00 -1.10 0.00 0.00 60.65 57.52 1a6x s ILE 117 Cb -0.00 -1.93 0.04 0.00 -1.06 0.00 0.00 42.46 39.50 1a6x s ILE 117 CO 0.00 -0.48 0.05 -0.69 -0.10 0.00 0.00 174.94 173.72 1a6x s VAL 118 N -2.58 0.06 -0.16 2.92 1.01 0.56 -0.40 120.40 121.82 1a6x s VAL 118 Ca 0.19 0.13 -0.21 0.00 0.00 0.00 0.00 61.98 62.09 1a6x s VAL 118 Cb -0.03 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 35.90 1a6x s VAL 118 CO 0.07 0.05 0.60 -0.70 0.00 0.00 0.00 175.10 175.12 1a6x s GLU 119 N 2.09 4.28 0.30 2.72 2.12 0.60 -1.00 118.70 129.81 1a6x s GLU 119 Ca 0.04 0.61 0.01 0.00 0.36 0.00 0.00 54.97 55.99 1a6x s GLU 119 Cb -0.13 -3.52 -0.00 0.00 0.26 0.00 0.00 34.13 30.73 1a6x s GLU 119 CO -0.05 -0.09 0.02 0.00 -0.54 0.00 0.00 175.26 174.60 1a6x n ALA 120 N 4.50 0.29 -1.52 6.30 0.00 -0.16 0.33 120.51 130.23 1a6x n ALA 120 Ca -0.03 -1.37 -0.21 0.00 0.00 0.00 0.00 53.44 51.83 1a6x n ALA 120 Cb 0.50 0.79 -0.16 0.00 0.00 0.00 0.00 19.45 20.58 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 -0.72 0.23 -4.25 0.00 2.81 -1.26 -1.17 117.12 112.76 1a6x n MET 121 Ca -0.11 -0.28 -0.36 0.00 -1.81 0.00 0.00 57.70 55.15 1a6x n MET 121 Cb 0.39 -2.02 -0.03 0.00 -0.71 0.00 0.00 33.22 30.85 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 6.95 -2.84 -3.45 0.03 5.02 -1.26 -4.91 118.16 117.70 1a6x n LYS 122 Ca 0.60 0.34 -0.17 0.00 -2.02 0.00 0.00 58.31 57.05 1a6x n LYS 122 Cb 0.24 -4.98 -0.12 0.00 -0.02 0.00 0.00 35.03 30.16 1a6x n LYS 122 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1a6x s MET 123 N -6.96 0.25 -0.05 1.97 1.75 -0.31 -5.13 119.30 110.81 1a6x s MET 123 Ca 0.69 0.11 -0.29 0.00 -1.25 0.00 0.00 55.69 54.95 1a6x s MET 123 Cb -0.38 -0.97 -0.02 0.00 2.84 0.00 0.00 34.83 36.29 1a6x s MET 123 CO 0.94 -0.78 0.96 1.41 -0.65 0.00 0.00 175.02 176.91 1a6x s MET 124 N 2.35 4.49 0.18 4.11 1.75 -1.26 -0.99 119.30 129.92 1a6x s MET 124 Ca 0.08 1.35 0.08 0.00 -1.25 0.00 0.00 55.69 55.95 1a6x s MET 124 Cb -0.15 -3.50 -0.04 0.00 2.84 0.00 0.00 34.83 33.98 1a6x s MET 124 CO -0.19 -0.15 -0.15 -0.80 -0.65 0.00 0.00 175.02 173.07 1a6x s ASN 125 N 1.03 2.48 0.18 1.11 0.01 -0.17 -4.99 114.94 114.60 1a6x s ASN 125 Ca 0.49 -0.93 0.09 0.00 -0.71 0.00 0.00 52.86 51.79 1a6x s ASN 125 Cb -0.20 -0.13 -0.04 0.00 0.41 0.00 0.00 41.25 41.30 1a6x s ASN 125 CO 0.23 -0.13 -0.18 -1.10 -1.51 0.00 0.00 177.10 174.41 1a6x s GLN 126 N -3.21 1.32 -0.23 -0.60 -0.21 -1.26 -0.32 119.66 115.14 1a6x s GLN 126 Ca 0.18 -1.47 -0.01 0.00 0.02 0.00 0.00 55.36 54.08 1a6x s GLN 126 Cb -0.03 -1.34 0.02 0.00 1.00 0.00 0.00 33.01 32.66 1a6x s GLN 126 CO 0.06 0.26 -0.08 0.42 -2.12 0.00 0.00 175.29 173.83 1a6x s ILE 127 N -2.23 2.77 -0.21 1.08 -1.09 0.82 -4.88 121.20 117.46 1a6x s ILE 127 Ca 0.18 -0.97 -0.08 0.00 -2.23 0.00 0.00 60.65 57.55 1a6x s ILE 127 Cb -0.05 -2.36 -0.04 0.00 -1.58 0.00 0.00 42.46 38.43 1a6x s ILE 127 CO 0.07 0.27 0.09 -1.83 -1.23 0.00 0.00 174.94 172.32 1a6x s GLU 128 N 1.33 3.94 0.08 2.79 1.03 -1.26 0.16 118.70 126.77 1a6x s GLU 128 Ca 0.01 -0.35 -0.36 0.00 0.03 0.00 0.00 54.97 54.30 1a6x s GLU 128 Cb -0.16 -3.33 -0.18 0.00 -0.80 0.00 0.00 34.13 29.66 1a6x s GLU 128 CO -0.06 0.12 0.98 0.00 -1.33 0.00 0.00 175.26 174.98 1a6x n ALA 129 N 4.03 -2.77 -0.30 -0.84 0.00 0.12 -4.84 120.51 115.91 1a6x n ALA 129 Ca -0.16 0.53 0.04 0.00 0.00 0.00 0.00 53.44 53.85 1a6x n ALA 129 Cb 0.52 -1.80 0.09 0.00 0.00 0.00 0.00 19.45 18.27 1a6x n ALA 129 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1a6x n ASP 130 N 1.79 2.53 -3.02 0.00 5.75 -1.26 -3.21 116.55 119.13 1a6x n ASP 130 Ca 0.19 -2.25 0.03 0.00 -0.01 0.00 0.00 54.79 52.74 1a6x n ASP 130 Cb 0.16 -0.19 -0.00 0.00 -1.03 0.00 0.00 41.12 40.06 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 -1.44 0.39 0.13 0.11 2.20 -1.26 -4.99 119.74 114.88 1a6x s LYS 131 Ca 0.16 0.01 -0.30 0.00 -0.36 0.00 0.00 55.97 55.48 1a6x s LYS 131 Cb 0.11 0.08 -0.17 0.00 -1.51 0.00 0.00 37.83 36.34 1a6x s LYS 131 CO 0.06 -0.60 0.66 -1.13 -0.36 0.00 0.00 175.35 173.98 1a6x n SER 132 N 4.42 -0.79 -1.73 1.43 3.41 -1.26 -4.86 113.62 114.24 1a6x n SER 132 Ca 0.08 1.07 0.01 0.00 -0.26 0.00 0.00 58.87 59.76 1a6x n SER 132 Cb 0.59 -0.88 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 1.72 0.57 3.72 5.00 0.00 0.09 -4.95 105.19 111.34 1a6x n GLY 133 Ca 0.18 -0.90 -0.24 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.14 2.66 0.55 2.61 2.01 -1.26 -1.09 115.64 118.98 1a6x s THR 134 Ca 0.08 -1.74 -0.21 0.00 0.31 0.00 0.00 61.69 60.13 1a6x s THR 134 Cb -0.00 -2.95 -0.05 0.00 0.01 0.00 0.00 72.50 69.51 1a6x s THR 134 CO -0.00 -0.11 1.29 0.54 -0.69 0.00 0.00 174.62 175.64 1a6x s VAL 135 N -2.51 2.37 0.00 3.82 0.11 -1.17 0.77 120.40 123.79 1a6x s VAL 135 Ca 0.39 0.27 0.00 0.00 -2.93 0.00 0.00 61.98 59.70 1a6x s VAL 135 Cb 0.00 -3.13 0.00 0.00 -1.53 0.00 0.00 36.38 31.73 1a6x s VAL 135 CO 0.22 -0.02 0.00 1.17 -3.33 0.00 0.00 175.10 173.14 1a6x n LYS 136 N -1.10 0.00 0.00 1.54 0.00 0.72 -4.39 118.16 114.93 1a6x n LYS 136 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.42 1a6x n LYS 136 Cb 0.47 -0.46 0.00 0.00 0.00 0.00 0.00 35.03 35.04 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 -2.77 0.00 -2.68 3.14 0.00 0.12 -4.96 120.51 113.37 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 0.38 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.75 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 -0.46 5.21 -0.26 0.00 1.09 -1.26 0.77 121.20 126.30 1a6x s ILE 138 Ca 0.00 0.70 -0.03 0.00 -1.10 0.00 0.00 60.65 60.22 1a6x s ILE 138 Cb 0.00 -3.72 -0.16 0.00 -1.06 0.00 0.00 42.46 37.52 1a6x s ILE 138 CO 0.00 0.27 -0.24 0.18 -0.10 0.00 0.00 174.94 175.06 1a6x n LEU 139 N 4.32 2.68 -4.75 2.97 4.77 -0.82 -4.94 117.00 121.23 1a6x n LEU 139 Ca -0.09 0.01 -0.41 0.00 -0.03 0.00 0.00 56.01 55.50 1a6x n LEU 139 Cb 0.51 -0.89 -0.04 0.00 -2.33 0.00 0.00 43.42 40.67 1a6x n LEU 139 CO 0.40 0.83 0.79 0.54 -1.33 0.00 0.00 177.39 178.63 1a6x s VAL 140 N -2.52 3.67 -0.51 4.08 0.11 0.10 -4.99 120.40 120.34 1a6x s VAL 140 Ca -0.36 1.56 -0.18 0.00 -2.93 0.00 0.00 61.98 60.07 1a6x s VAL 140 Cb 0.10 -3.99 0.07 0.00 -1.53 0.00 0.00 36.38 31.03 1a6x s VAL 140 CO 0.58 0.32 0.59 -1.61 -3.33 0.00 0.00 175.10 171.65 1a6x s GLU 141 N -0.89 3.08 -0.88 1.54 2.02 -1.26 -4.96 118.70 117.35 1a6x s GLU 141 Ca 0.47 -1.06 -0.25 0.00 0.02 0.00 0.00 54.97 54.15 1a6x s GLU 141 Cb -0.31 -4.13 -0.20 0.00 0.10 0.00 0.00 34.13 29.59 1a6x s GLU 141 CO 0.38 -1.23 2.33 0.45 0.02 0.00 0.00 175.26 177.21 1a6x n SER 142 N 5.99 0.11 0.00 -0.19 2.88 -1.25 0.98 113.62 122.13 1a6x n SER 142 Ca -0.08 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1a6x n SER 142 Cb 0.44 -0.78 0.00 0.00 -0.75 0.00 0.00 64.21 63.13 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 5.64 0.54 3.92 0.46 0.00 0.47 -4.80 105.19 111.41 1a6x n GLY 143 Ca 0.58 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.31 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 3.53 0.26 1.61 -2.07 0.27 -4.85 119.66 118.41 1a6x s GLN 144 Ca 0.00 -0.30 -0.30 0.00 -1.82 0.00 0.00 55.36 52.94 1a6x s GLN 144 Cb 0.00 -2.89 -0.09 0.00 -1.09 0.00 0.00 33.01 28.94 1a6x s GLN 144 CO 0.00 0.47 1.08 -1.25 -1.32 0.00 0.00 175.29 174.27 1a6x s PRO 145 N -2.97 4.65 0.35 9.60 0.04 -1.26 -1.13 135.00 144.28 1a6x s PRO 145 Ca 0.38 1.76 0.09 0.00 0.04 0.00 0.00 61.00 63.27 1a6x s PRO 145 Cb -0.12 -3.21 -0.07 0.00 0.04 0.00 0.00 34.50 31.14 1a6x s PRO 145 CO 0.27 0.22 -0.07 0.14 0.04 0.00 0.00 177.00 177.60 1a6x s VAL 146 N -1.02 2.15 0.09 -0.36 -7.23 0.73 -4.88 120.40 109.88 1a6x s VAL 146 Ca 0.45 -2.17 0.03 0.00 -1.81 0.00 0.00 61.98 58.49 1a6x s VAL 146 Cb -0.31 -2.69 -0.04 0.00 0.56 0.00 0.00 36.38 33.91 1a6x s VAL 146 CO 0.39 -0.18 -0.09 -1.61 -0.31 0.00 0.00 175.10 173.30 1a6x s GLU 147 N -3.64 0.82 0.32 4.82 2.02 -1.26 -1.42 118.70 120.35 1a6x s GLU 147 Ca 0.33 -1.14 -0.29 0.00 0.02 0.00 0.00 54.97 53.88 1a6x s GLU 147 Cb 0.04 -0.47 -0.11 0.00 0.10 0.00 0.00 34.13 33.69 1a6x s GLU 147 CO 0.16 0.07 1.53 0.12 0.02 0.00 0.00 175.26 177.16 1a6x s PHE 148 N -2.50 2.74 0.00 1.61 2.19 -1.25 -1.03 117.98 119.73 1a6x s PHE 148 Ca 0.05 0.96 0.00 0.00 0.33 0.00 0.00 56.93 58.27 1a6x s PHE 148 Cb -0.02 -4.01 0.00 0.00 -1.31 0.00 0.00 43.02 37.68 1a6x s PHE 148 CO -0.01 -3.23 0.00 -3.47 1.83 0.00 0.00 175.22 170.35 1a6x n ASP 149 N 1.59 0.00 -4.85 6.13 -0.08 -1.09 -5.01 116.55 113.23 1a6x n ASP 149 Ca 0.05 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 53.00 1a6x n ASP 149 Cb 0.38 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 -0.20 3.98 0.89 -0.67 0.41 -0.20 -4.90 118.70 118.01 1a6x s GLU 150 Ca 0.00 0.56 -0.12 0.00 -0.41 0.00 0.00 54.97 55.00 1a6x s GLU 150 Cb 0.00 -2.63 0.12 0.00 -1.78 0.00 0.00 34.13 29.84 1a6x s GLU 150 CO 0.00 0.29 1.13 -1.25 -0.49 0.00 0.00 175.26 174.94 1a6x s PRO 151 N -2.63 1.33 0.00 0.39 0.04 -1.26 0.27 135.00 133.14 1a6x s PRO 151 Ca 0.48 0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.88 1a6x s PRO 151 Cb -0.12 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1a6x s PRO 151 CO 0.19 -2.08 0.00 1.28 0.04 0.00 0.00 177.00 176.44 1a6x n LEU 152 N -3.69 0.00 -4.54 -3.56 4.77 0.49 -4.50 117.00 105.96 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 0.59 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.59 1a6x n LEU 152 CO 0.57 0.00 -0.41 -0.69 -1.33 0.00 0.00 177.39 175.53 1a6x s VAL 153 N 0.00 2.75 -0.18 4.08 1.01 -1.21 -0.73 120.40 126.12 1a6x s VAL 153 Ca 0.00 -2.21 -0.01 0.00 0.00 0.00 0.00 61.98 59.76 1a6x s VAL 153 Cb 0.00 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.85 1a6x s VAL 153 CO 0.00 -0.36 -0.13 -0.69 0.00 0.00 0.00 175.10 173.93 1a6x s VAL 154 N -2.47 2.76 0.32 2.92 1.01 0.23 -0.65 120.40 124.52 1a6x s VAL 154 Ca 0.31 -0.72 0.09 0.00 0.00 0.00 0.00 61.98 61.66 1a6x s VAL 154 Cb -0.04 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 1a6x s VAL 154 CO 0.17 0.49 0.07 -0.63 0.00 0.00 0.00 175.10 175.20 1a6x s ILE 155 N 1.16 3.02 -0.94 2.22 1.09 -0.25 -0.20 121.20 127.29 1a6x s ILE 155 Ca 0.01 -1.82 0.08 0.00 -1.10 0.00 0.00 60.65 57.82 1a6x s ILE 155 Cb -0.14 -2.90 0.06 0.00 -1.06 0.00 0.00 42.46 38.42 1a6x s ILE 155 CO -0.05 -0.23 0.74 1.21 -0.10 0.00 0.00 174.94 176.51