#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 -0.41 -3.27 2.12 -0.58 -1.26 -4.87 120.64 112.38 1a6x n GLU 71 Ca 0.00 1.50 -0.19 0.00 -0.42 0.00 0.00 57.16 58.05 1a6x n GLU 71 Cb 0.00 -2.21 0.02 0.00 -0.57 0.00 0.00 31.44 28.68 1a6x n GLU 71 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1a6x n ALA 72 N -3.28 -2.36 -2.40 0.62 0.00 -1.26 -4.80 120.51 107.03 1a6x n ALA 72 Ca 0.03 0.32 -0.43 0.00 0.00 0.00 0.00 53.44 53.36 1a6x n ALA 72 Cb 0.28 -1.68 -0.02 0.00 0.00 0.00 0.00 19.45 18.03 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 -1.88 4.11 -0.89 0.00 0.04 -1.26 -4.95 135.00 130.18 1a6x s PRO 73 Ca 0.20 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1a6x s PRO 73 Cb -0.03 -3.82 0.29 0.00 0.04 0.00 0.00 34.50 30.98 1a6x s PRO 73 CO 0.55 -0.87 1.20 0.00 0.04 0.00 0.00 177.00 177.92 1a6x n ALA 74 N 7.02 4.79 -2.70 8.56 0.00 -1.26 -5.02 120.51 131.90 1a6x n ALA 74 Ca 0.14 -4.78 -0.37 0.00 0.00 0.00 0.00 53.44 48.43 1a6x n ALA 74 Cb 0.45 -1.72 -0.07 0.00 0.00 0.00 0.00 19.45 18.12 1a6x n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a6x s ALA 75 N -2.79 3.69 -0.29 0.00 0.00 -1.26 -5.06 121.76 116.04 1a6x s ALA 75 Ca 0.36 -0.43 -0.03 0.00 0.00 0.00 0.00 51.96 51.85 1a6x s ALA 75 Cb 0.10 -2.29 0.11 0.00 0.00 0.00 0.00 23.12 21.04 1a6x s ALA 75 CO 0.04 0.32 0.15 0.00 0.00 0.00 0.00 175.76 176.27 1a6x s ALA 76 N -0.30 0.50 -0.36 0.00 0.00 -1.26 -5.01 121.76 115.34 1a6x s ALA 76 Ca 0.18 -1.04 -0.02 0.00 0.00 0.00 0.00 51.96 51.08 1a6x s ALA 76 Cb -0.14 -1.45 0.25 0.00 0.00 0.00 0.00 23.12 21.78 1a6x s ALA 76 CO 0.06 -1.68 1.14 -1.91 0.00 0.00 0.00 175.76 173.37 1a6x n GLU 77 N 5.19 0.21 0.00 0.00 0.00 -1.26 -5.15 120.64 119.63 1a6x n GLU 77 Ca -0.05 -0.90 0.00 0.00 0.00 0.00 0.00 57.16 56.22 1a6x n GLU 77 Cb 0.42 -0.32 0.00 0.00 0.00 0.00 0.00 31.44 31.54 1a6x n GLU 77 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.13 178.64 1a6x n ILE 78 N 1.91 0.00 0.09 6.31 0.13 -1.26 -4.90 119.36 121.64 1a6x n ILE 78 Ca 0.06 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.71 1a6x n ILE 78 Cb 0.67 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.47 1a6x n ILE 78 CO 0.00 0.00 0.00 -0.24 2.80 0.00 0.00 176.55 179.11 1a6x n SER 79 N -3.71 0.24 -1.78 9.51 2.88 -1.26 -5.15 113.62 114.34 1a6x n SER 79 Ca 0.00 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.83 1a6x n SER 79 Cb 0.00 0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 1a6x n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a6x n GLY 80 N 2.25 -5.06 2.86 0.46 0.00 -1.18 -5.00 105.19 99.53 1a6x n GLY 80 Ca 0.00 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.42 2.30 -0.24 1.61 5.65 0.77 -4.94 115.29 120.02 1a6x s HIS 81 Ca 0.00 -1.93 -0.16 0.00 0.25 0.00 0.00 55.06 53.22 1a6x s HIS 81 Cb 0.00 -1.87 -0.04 0.00 -1.18 0.00 0.00 32.58 29.50 1a6x s HIS 81 CO 0.00 -0.84 0.41 0.42 -0.65 0.00 0.00 174.74 174.08 1a6x s ILE 82 N 1.42 5.17 -0.23 0.89 1.01 -1.26 -0.63 121.20 127.57 1a6x s ILE 82 Ca 0.04 0.68 -0.29 0.00 0.00 0.00 0.00 60.65 61.08 1a6x s ILE 82 Cb -0.18 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 38.55 1a6x s ILE 82 CO -0.14 0.19 1.32 -0.69 0.00 0.00 0.00 174.94 175.62 1a6x s VAL 83 N 1.74 4.15 -0.31 2.92 1.01 0.12 -4.95 120.40 125.08 1a6x s VAL 83 Ca 0.18 1.34 -0.08 0.00 0.00 0.00 0.00 61.98 63.42 1a6x s VAL 83 Cb -0.15 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.20 1a6x s VAL 83 CO 0.09 -0.31 0.11 -0.13 0.00 0.00 0.00 175.10 174.86 1a6x s ARG 84 N 3.93 3.05 -0.91 2.72 0.52 -1.26 0.22 118.95 127.22 1a6x s ARG 84 Ca 0.57 -0.90 -0.32 0.00 -0.52 0.00 0.00 55.73 54.56 1a6x s ARG 84 Cb -0.20 -3.46 -0.21 0.00 0.52 0.00 0.00 34.95 31.60 1a6x s ARG 84 CO 0.20 -0.50 2.62 -1.13 0.02 0.00 0.00 175.30 176.51 1a6x n SER 85 N 4.90 0.44 0.00 0.23 3.41 0.14 -4.69 113.62 118.04 1a6x n SER 85 Ca -0.14 0.22 0.12 0.00 -0.26 0.00 0.00 58.87 58.80 1a6x n SER 85 Cb 0.48 -0.95 0.68 0.00 -0.26 0.00 0.00 64.21 64.16 1a6x n SER 85 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1a6x n PRO 86 N 8.40 0.75 -3.68 4.33 -0.04 -1.26 -2.86 135.00 140.63 1a6x n PRO 86 Ca 0.63 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.99 1a6x n PRO 86 Cb 0.04 -1.48 -0.09 0.00 -0.04 0.00 0.00 33.50 31.93 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 0.55 0.32 0.54 1.75 -1.26 -4.95 119.30 114.25 1a6x s MET 87 Ca 0.35 0.87 -0.28 0.00 -1.25 0.00 0.00 55.69 55.37 1a6x s MET 87 Cb 0.16 0.14 -0.10 0.00 2.84 0.00 0.00 34.83 37.87 1a6x s MET 87 CO 0.27 -0.12 1.22 0.08 -0.65 0.00 0.00 175.02 175.81 1a6x s VAL 88 N 1.01 3.04 0.00 10.11 1.01 -1.26 -4.59 120.40 129.71 1a6x s VAL 88 Ca -0.06 1.02 0.00 0.00 0.00 0.00 0.00 61.98 62.94 1a6x s VAL 88 Cb -0.06 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1a6x s VAL 88 CO -0.09 0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.84 1a6x n GLY 89 N 0.91 -0.56 3.31 4.51 0.00 -0.51 -4.75 105.19 108.09 1a6x n GLY 89 Ca 0.00 0.16 -0.16 0.00 0.00 0.00 0.00 46.02 46.02 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 0.96 -0.04 2.61 2.01 0.14 -0.55 115.64 120.78 1a6x s THR 90 Ca 0.00 -2.03 0.01 0.00 0.31 0.00 0.00 61.69 59.99 1a6x s THR 90 Cb 0.00 -2.28 0.02 0.00 0.01 0.00 0.00 72.50 70.25 1a6x s THR 90 CO 0.00 -0.37 -0.04 0.12 -0.69 0.00 0.00 174.62 173.65 1a6x s PHE 91 N -3.47 0.63 0.09 4.92 2.19 -0.19 -0.86 117.98 121.29 1a6x s PHE 91 Ca 0.27 -0.15 0.08 0.00 0.33 0.00 0.00 56.93 57.47 1a6x s PHE 91 Cb 0.06 -0.57 -0.03 0.00 -1.31 0.00 0.00 43.02 41.17 1a6x s PHE 91 CO 0.07 -0.15 -0.22 0.71 1.83 0.00 0.00 175.22 177.47 1a6x s TYR 92 N 0.79 1.86 -0.65 10.12 2.02 0.68 0.10 117.35 132.27 1a6x s TYR 92 Ca -0.10 -0.41 0.22 0.00 -0.37 0.00 0.00 57.07 56.42 1a6x s TYR 92 Cb -0.13 -1.04 -0.13 0.00 -0.40 0.00 0.00 41.96 40.27 1a6x s TYR 92 CO -0.00 0.20 0.87 0.54 -1.57 0.00 0.00 175.55 175.59 1a6x n ARG 93 N 1.22 0.24 -4.10 -0.62 5.12 -1.26 -1.30 116.66 115.95 1a6x n ARG 93 Ca -0.19 -0.05 -0.11 0.00 -1.93 0.00 0.00 57.85 55.58 1a6x n ARG 93 Cb 0.53 -1.54 -0.11 0.00 -1.16 0.00 0.00 32.46 30.19 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 0.51 -0.99 0.55 -4.23 -1.26 -1.32 115.64 105.72 1a6x s THR 94 Ca 0.03 -1.52 0.22 0.00 -1.18 0.00 0.00 61.69 59.24 1a6x s THR 94 Cb 0.15 -1.15 0.18 0.00 1.34 0.00 0.00 72.50 73.02 1a6x s THR 94 CO 0.85 -0.69 1.70 -0.81 -0.54 0.00 0.00 174.62 175.13 1a6x n PRO 95 N 0.66 0.01 -3.83 3.99 -0.04 -1.26 -4.86 135.00 129.66 1a6x n PRO 95 Ca -0.17 0.13 -0.08 0.00 -0.04 0.00 0.00 63.50 63.34 1a6x n PRO 95 Cb 0.58 -1.51 0.01 0.00 -0.04 0.00 0.00 33.50 32.54 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 -3.03 -0.08 0.19 3.54 0.15 -1.26 -4.99 113.70 108.21 1a6x s SER 96 Ca 0.10 -0.95 0.04 0.00 0.70 0.00 0.00 55.95 55.84 1a6x s SER 96 Cb 0.14 0.80 0.07 0.00 -1.71 0.00 0.00 66.02 65.32 1a6x s SER 96 CO 0.40 -1.55 1.43 1.55 1.20 0.00 0.00 173.24 176.26 1a6x h PRO 97 N 2.01 0.18 -0.45 5.44 0.13 -1.97 -3.23 132.00 134.11 1a6x h PRO 97 Ca -0.27 -0.18 -0.32 0.00 -0.87 0.00 0.00 66.00 64.36 1a6x h PRO 97 Cb 1.25 0.05 -0.24 0.00 0.13 0.00 0.00 31.00 32.19 1a6x h PRO 97 CO 0.34 0.89 -0.57 -0.40 -0.23 0.00 0.00 178.00 178.03 1a6x n ASP 98 N -3.70 3.62 -4.66 1.44 5.68 -1.26 -5.02 116.55 112.65 1a6x n ASP 98 Ca -0.03 -3.82 -0.23 0.00 -0.50 0.00 0.00 54.79 50.22 1a6x n ASP 98 Cb 0.76 -0.46 -0.07 0.00 -1.14 0.00 0.00 41.12 40.20 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 -3.45 3.20 1.23 2.12 0.00 -1.22 -5.12 121.76 118.53 1a6x s ALA 99 Ca 0.46 -1.65 -0.17 0.00 0.00 0.00 0.00 51.96 50.60 1a6x s ALA 99 Cb 0.40 -0.80 0.26 0.00 0.00 0.00 0.00 23.12 22.97 1a6x s ALA 99 CO -0.01 0.26 0.63 1.63 0.00 0.00 0.00 175.76 178.27 1a6x n LYS 100 N -0.92 -2.90 -3.89 0.00 4.01 -1.26 -4.76 118.16 108.44 1a6x n LYS 100 Ca -0.06 -0.84 -0.35 0.00 -0.51 0.00 0.00 58.31 56.55 1a6x n LYS 100 Cb 0.59 -1.89 -0.08 0.00 -0.51 0.00 0.00 35.03 33.13 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 -2.24 3.62 0.32 7.82 0.00 -1.26 -4.17 121.76 125.85 1a6x s ALA 101 Ca 0.61 -0.70 -0.00 0.00 0.00 0.00 0.00 51.96 51.87 1a6x s ALA 101 Cb -0.16 -2.00 0.52 0.00 0.00 0.00 0.00 23.12 21.47 1a6x s ALA 101 CO 0.60 0.30 1.98 0.74 0.00 0.00 0.00 175.76 179.38 1a6x h PHE 102 N 6.17 0.93 -2.56 0.00 0.04 -1.52 -3.37 116.94 116.63 1a6x h PHE 102 Ca -0.44 0.02 -0.47 0.00 2.80 0.00 0.00 57.97 59.88 1a6x h PHE 102 Cb 1.18 -0.31 -0.38 0.00 2.20 0.00 0.00 35.95 38.64 1a6x h PHE 102 CO 0.62 0.59 -0.74 0.96 -0.60 0.00 0.00 178.31 179.14 1a6x s ILE 103 N -5.81 -0.16 -0.36 -0.55 -5.25 -1.26 -4.69 121.20 103.11 1a6x s ILE 103 Ca -0.11 -0.76 -0.27 0.00 -0.99 0.00 0.00 60.65 58.52 1a6x s ILE 103 Cb 0.18 -0.98 0.02 0.00 2.95 0.00 0.00 42.46 44.62 1a6x s ILE 103 CO 0.78 -0.67 1.01 -0.70 -1.79 0.00 0.00 174.94 173.57 1a6x s GLU 104 N 2.08 3.93 -0.45 0.37 -6.30 -1.26 -4.93 118.70 112.13 1a6x s GLU 104 Ca 0.10 0.80 -0.44 0.00 -2.50 0.00 0.00 54.97 52.93 1a6x s GLU 104 Cb -0.16 -3.78 -0.18 0.00 0.00 0.00 0.00 34.13 30.00 1a6x s GLU 104 CO -0.32 -0.97 1.82 0.28 0.02 0.00 0.00 175.26 176.10 1a6x n VAL 105 N 6.01 0.06 0.00 3.70 0.31 -1.26 -0.87 118.33 126.28 1a6x n VAL 105 Ca 0.10 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1a6x n VAL 105 Cb 0.48 -0.69 0.00 0.00 -0.91 0.00 0.00 33.84 32.71 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 5.22 1.34 3.72 2.92 0.00 -1.26 -5.12 105.19 112.02 1a6x n GLY 106 Ca 0.38 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.34 2.16 0.25 1.61 0.74 -0.05 -5.01 119.66 119.01 1a6x s GLN 107 Ca 0.00 -1.96 0.09 0.00 0.05 0.00 0.00 55.36 53.53 1a6x s GLN 107 Cb 0.00 -1.87 -0.04 0.00 1.10 0.00 0.00 33.01 32.20 1a6x s GLN 107 CO 0.00 -0.15 0.03 -1.59 -0.55 0.00 0.00 175.29 173.03 1a6x s LYS 108 N -3.88 2.41 -0.02 1.67 0.00 -1.26 -3.14 119.74 115.51 1a6x s LYS 108 Ca 0.36 -1.31 0.01 0.00 0.00 0.00 0.00 55.97 55.03 1a6x s LYS 108 Cb 0.05 -2.25 0.01 0.00 0.00 0.00 0.00 37.83 35.64 1a6x s LYS 108 CO 0.20 0.38 -0.03 0.14 0.00 0.00 0.00 175.35 176.05 1a6x s VAL 109 N -2.20 0.30 0.12 1.79 -7.23 -0.25 -5.02 120.40 107.91 1a6x s VAL 109 Ca 0.31 -0.06 0.09 0.00 -1.81 0.00 0.00 61.98 60.51 1a6x s VAL 109 Cb -0.07 -0.33 -0.04 0.00 0.56 0.00 0.00 36.38 36.51 1a6x s VAL 109 CO 0.20 0.14 -0.23 0.20 -0.31 0.00 0.00 175.10 175.10 1a6x s ASN 110 N 0.53 2.87 -0.54 4.85 0.01 -1.26 -0.70 114.94 120.70 1a6x s ASN 110 Ca -0.06 -0.72 -0.42 0.00 -0.71 0.00 0.00 52.86 50.95 1a6x s ASN 110 Cb -0.09 -0.17 -0.19 0.00 0.41 0.00 0.00 41.25 41.21 1a6x s ASN 110 CO -0.01 0.10 2.20 0.52 -1.51 0.00 0.00 177.10 178.40 1a6x n VAL 111 N 0.97 0.01 0.00 1.60 0.31 -1.26 0.64 118.33 120.59 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 0.53 -0.56 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 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 7.36 1.60 3.80 2.92 0.00 -1.26 -5.06 105.19 114.56 1a6x n GLY 112 Ca 0.55 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.59 6.83 0.95 1.61 1.01 0.21 -4.88 116.67 120.81 1a6x s ASP 113 Ca 0.00 0.99 -0.11 0.00 0.71 0.00 0.00 52.55 54.14 1a6x s ASP 113 Cb 0.00 -2.28 0.16 0.00 1.01 0.00 0.00 42.92 41.81 1a6x s ASP 113 CO 0.00 0.24 1.10 -0.89 0.21 0.00 0.00 175.17 175.83 1a6x s THR 114 N -0.69 2.32 0.00 -1.27 2.01 -1.26 -0.16 115.64 116.58 1a6x s THR 114 Ca 0.25 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.36 1a6x s THR 114 Cb -0.17 -2.27 0.00 0.00 0.01 0.00 0.00 72.50 70.07 1a6x s THR 114 CO 0.14 -0.13 0.00 -0.11 -0.69 0.00 0.00 174.62 173.82 1a6x n LEU 115 N -4.25 1.68 0.00 4.42 7.94 0.23 -4.55 117.00 122.47 1a6x n LEU 115 Ca 0.09 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.99 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 0.53 0.25 0.00 0.00 -1.11 0.00 0.00 177.39 177.06 1a6x s ILE 117 N -2.20 1.05 -0.08 0.00 -1.09 -0.42 -1.04 121.20 117.42 1a6x s ILE 117 Ca 0.00 -1.19 0.01 0.00 -2.23 0.00 0.00 60.65 57.25 1a6x s ILE 117 Cb 0.00 -1.00 0.02 0.00 -1.58 0.00 0.00 42.46 39.90 1a6x s ILE 117 CO 0.00 -0.17 -0.10 -0.69 -1.23 0.00 0.00 174.94 172.74 1a6x s VAL 118 N -1.15 1.07 -0.15 2.92 1.01 0.72 -0.23 120.40 124.58 1a6x s VAL 118 Ca -0.02 -0.41 -0.08 0.00 0.00 0.00 0.00 61.98 61.47 1a6x s VAL 118 Cb -0.09 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 1a6x s VAL 118 CO 0.02 0.35 0.13 -0.70 0.00 0.00 0.00 175.10 174.90 1a6x s GLU 119 N 0.97 3.76 0.24 2.72 2.12 -0.04 -0.42 118.70 128.04 1a6x s GLU 119 Ca -0.09 -0.17 0.03 0.00 0.36 0.00 0.00 54.97 55.10 1a6x s GLU 119 Cb -0.15 -3.28 -0.01 0.00 0.26 0.00 0.00 34.13 30.95 1a6x s GLU 119 CO 0.00 0.57 0.12 0.00 -0.54 0.00 0.00 175.26 175.41 1a6x n ALA 120 N 2.65 0.38 -1.49 6.30 0.00 0.60 0.26 120.51 129.21 1a6x n ALA 120 Ca -0.18 -1.27 -0.29 0.00 0.00 0.00 0.00 53.44 51.70 1a6x n ALA 120 Cb 0.54 0.90 -0.20 0.00 0.00 0.00 0.00 19.45 20.69 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 -0.52 0.00 -4.20 0.00 2.81 -1.26 -0.62 117.12 113.33 1a6x n MET 121 Ca -0.01 0.00 -0.39 0.00 -1.81 0.00 0.00 57.70 55.49 1a6x n MET 121 Cb 0.38 -1.17 -0.04 0.00 -0.71 0.00 0.00 33.22 31.68 1a6x n MET 121 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1a6x n LYS 122 N 6.53 -0.59 -3.50 0.03 2.85 -1.26 -4.92 118.16 117.30 1a6x n LYS 122 Ca 0.67 0.08 0.01 0.00 -1.05 0.00 0.00 58.31 58.01 1a6x n LYS 122 Cb 0.10 -3.03 -0.03 0.00 -0.65 0.00 0.00 35.03 31.42 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 -7.44 0.55 -0.04 -1.58 -1.94 0.21 -5.15 119.30 103.91 1a6x s MET 123 Ca 0.25 1.28 -0.18 0.00 -1.71 0.00 0.00 55.69 55.33 1a6x s MET 123 Cb -0.14 0.76 -0.05 0.00 2.01 0.00 0.00 34.83 37.41 1a6x s MET 123 CO 0.99 -0.29 0.49 0.00 -0.01 0.00 0.00 175.02 176.19 1a6x s MET 124 N 2.86 4.20 0.16 2.03 0.23 -1.26 -0.29 119.30 127.23 1a6x s MET 124 Ca 0.01 0.52 0.02 0.00 -1.03 0.00 0.00 55.69 55.21 1a6x s MET 124 Cb -0.12 -3.34 -0.05 0.00 -1.53 0.00 0.00 34.83 29.80 1a6x s MET 124 CO -0.19 0.40 -0.03 -0.80 -2.03 0.00 0.00 175.02 172.37 1a6x s ASN 125 N -0.20 1.38 0.12 -1.18 0.01 0.43 -5.00 114.94 110.52 1a6x s ASN 125 Ca 0.26 -1.12 0.06 0.00 -0.71 0.00 0.00 52.86 51.36 1a6x s ASN 125 Cb -0.17 0.08 -0.04 0.00 0.41 0.00 0.00 41.25 41.53 1a6x s ASN 125 CO 0.13 -0.50 -0.15 -1.58 -1.51 0.00 0.00 177.10 173.50 1a6x s GLN 126 N -3.86 1.05 -0.25 -0.60 0.74 -1.26 -0.20 119.66 115.28 1a6x s GLN 126 Ca 0.21 -1.25 -0.04 0.00 0.05 0.00 0.00 55.36 54.33 1a6x s GLN 126 Cb 0.05 -0.98 0.01 0.00 1.10 0.00 0.00 33.01 33.19 1a6x s GLN 126 CO 0.02 0.19 -0.01 0.42 -0.55 0.00 0.00 175.29 175.36 1a6x s ILE 127 N -2.06 3.38 -0.19 -2.34 1.01 -0.21 -4.89 121.20 115.91 1a6x s ILE 127 Ca 0.09 -0.71 -0.13 0.00 0.00 0.00 0.00 60.65 59.91 1a6x s ILE 127 Cb -0.05 -2.65 -0.05 0.00 0.01 0.00 0.00 42.46 39.72 1a6x s ILE 127 CO 0.03 0.26 0.24 -0.70 0.00 0.00 0.00 174.94 174.78 1a6x s GLU 128 N 1.44 4.21 0.07 2.79 -6.30 -1.26 0.76 118.70 120.40 1a6x s GLU 128 Ca 0.03 -0.03 -0.36 0.00 -2.50 0.00 0.00 54.97 52.11 1a6x s GLU 128 Cb -0.16 -3.45 -0.19 0.00 0.00 0.00 0.00 34.13 30.33 1a6x s GLU 128 CO -0.02 0.20 0.92 0.00 0.02 0.00 0.00 175.26 176.38 1a6x n ALA 129 N 3.75 -3.28 -0.52 6.30 0.00 0.77 -4.84 120.51 122.68 1a6x n ALA 129 Ca -0.13 0.55 0.05 0.00 0.00 0.00 0.00 53.44 53.91 1a6x n ALA 129 Cb 0.52 -1.73 0.08 0.00 0.00 0.00 0.00 19.45 18.32 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 1.68 2.29 -2.81 0.00 -0.08 -1.26 -4.00 116.55 112.36 1a6x n ASP 130 Ca 0.19 -2.52 0.02 0.00 -1.51 0.00 0.00 54.79 50.97 1a6x n ASP 130 Cb 0.14 -0.22 0.00 0.00 2.34 0.00 0.00 41.12 43.38 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 -1.91 0.21 0.10 -0.67 2.36 -1.26 -5.05 119.74 113.52 1a6x s LYS 131 Ca 0.17 -0.05 -0.33 0.00 -2.55 0.00 0.00 55.97 53.21 1a6x s LYS 131 Cb 0.14 0.03 -0.18 0.00 -1.05 0.00 0.00 37.83 36.77 1a6x s LYS 131 CO 0.03 -0.30 0.76 -1.13 1.55 0.00 0.00 175.35 176.25 1a6x n SER 132 N 3.82 -0.62 -1.88 1.43 3.41 -1.26 -4.90 113.62 113.62 1a6x n SER 132 Ca 0.06 1.10 0.01 0.00 -0.26 0.00 0.00 58.87 59.78 1a6x n SER 132 Cb 0.63 -0.90 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 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 1.69 0.57 3.55 5.00 0.00 0.12 -4.98 105.19 111.14 1a6x n GLY 133 Ca 0.18 -0.91 -0.27 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.15 3.07 0.45 2.61 2.01 -1.26 -1.09 115.64 119.28 1a6x s THR 134 Ca 0.09 -1.72 -0.22 0.00 0.31 0.00 0.00 61.69 60.15 1a6x s THR 134 Cb -0.00 -2.52 -0.11 0.00 0.01 0.00 0.00 72.50 69.88 1a6x s THR 134 CO 0.00 -0.12 0.76 0.55 -0.69 0.00 0.00 174.62 175.12 1a6x n VAL 135 N 0.05 2.24 0.00 3.82 3.14 -1.19 0.37 118.33 126.77 1a6x n VAL 135 Ca -0.11 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.77 1a6x n VAL 135 Cb 0.56 -0.84 0.00 0.00 -1.06 0.00 0.00 33.84 32.50 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 0.23 0.00 0.00 1.45 4.81 0.34 -4.47 118.16 120.52 1a6x n LYS 136 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 1a6x n LYS 136 Cb 0.41 -0.61 0.00 0.00 0.02 0.00 0.00 35.03 34.85 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 -2.61 0.00 -2.74 3.14 0.00 0.08 -4.95 120.51 113.42 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 0.38 0.00 -0.08 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 -0.32 5.38 -0.27 0.00 1.01 -1.26 0.15 121.20 125.89 1a6x s ILE 138 Ca 0.00 0.18 -0.08 0.00 0.00 0.00 0.00 60.65 60.74 1a6x s ILE 138 Cb 0.00 -3.45 -0.14 0.00 0.01 0.00 0.00 42.46 38.89 1a6x s ILE 138 CO 0.00 0.45 -0.31 0.18 0.00 0.00 0.00 174.94 175.26 1a6x n LEU 139 N 3.44 2.31 -4.69 2.97 4.77 0.17 -4.96 117.00 121.02 1a6x n LEU 139 Ca -0.16 0.17 -0.29 0.00 -0.03 0.00 0.00 56.01 55.70 1a6x n LEU 139 Cb 0.52 -0.85 0.16 0.00 -2.33 0.00 0.00 43.42 40.92 1a6x n LEU 139 CO 0.37 0.70 0.65 0.54 -1.33 0.00 0.00 177.39 178.32 1a6x s VAL 140 N -2.51 2.28 0.27 4.08 0.11 -0.25 -5.05 120.40 119.33 1a6x s VAL 140 Ca -0.38 0.09 0.12 0.00 -2.93 0.00 0.00 61.98 58.88 1a6x s VAL 140 Cb 0.13 -2.58 -0.05 0.00 -1.53 0.00 0.00 36.38 32.35 1a6x s VAL 140 CO 0.53 -0.12 -0.20 -0.70 -3.33 0.00 0.00 175.10 171.28 1a6x s GLU 141 N -4.95 1.65 -0.96 1.54 2.12 -1.26 -4.99 118.70 111.85 1a6x s GLU 141 Ca 0.65 -1.76 -0.24 0.00 0.36 0.00 0.00 54.97 53.98 1a6x s GLU 141 Cb -0.18 -1.72 -0.01 0.00 0.26 0.00 0.00 34.13 32.47 1a6x s GLU 141 CO 0.57 0.32 1.75 -1.54 -0.54 0.00 0.00 175.26 175.83 1a6x s SER 142 N -3.50 5.69 0.00 -1.70 1.04 -1.26 -1.78 113.70 112.19 1a6x s SER 142 Ca 0.29 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.68 1a6x s SER 142 Cb -0.05 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.51 1a6x s SER 142 CO 0.14 -2.25 0.00 0.61 0.98 0.00 0.00 173.24 172.72 1a6x n GLY 143 N 6.80 1.38 3.79 7.32 0.00 0.12 -4.82 105.19 119.78 1a6x n GLY 143 Ca 0.38 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.05 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 3.83 0.62 1.61 -0.21 -0.74 -4.72 119.66 120.06 1a6x s GLN 144 Ca 0.00 1.42 -0.14 0.00 0.02 0.00 0.00 55.36 56.66 1a6x s GLN 144 Cb 0.00 -2.18 -0.03 0.00 1.00 0.00 0.00 33.01 31.81 1a6x s GLN 144 CO 0.00 -0.41 1.05 -1.25 -2.12 0.00 0.00 175.29 172.56 1a6x s PRO 145 N -3.09 3.25 0.12 2.91 0.04 -1.26 -1.02 135.00 135.94 1a6x s PRO 145 Ca 0.66 1.10 -0.00 0.00 0.04 0.00 0.00 61.00 62.79 1a6x s PRO 145 Cb -0.18 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 1a6x s PRO 145 CO 0.22 -0.86 0.02 0.14 0.04 0.00 0.00 177.00 176.56 1a6x s VAL 146 N -2.67 0.27 0.12 -0.36 -7.23 0.29 -4.78 120.40 106.03 1a6x s VAL 146 Ca 0.61 -1.90 -0.00 0.00 -1.81 0.00 0.00 61.98 58.88 1a6x s VAL 146 Cb -0.15 -1.92 -0.04 0.00 0.56 0.00 0.00 36.38 34.83 1a6x s VAL 146 CO 0.43 -0.61 0.01 -1.83 -0.31 0.00 0.00 175.10 172.78 1a6x s GLU 147 N -3.98 0.88 0.27 4.82 -1.05 -1.26 -1.43 118.70 116.95 1a6x s GLU 147 Ca 0.19 -1.40 -0.30 0.00 -0.15 0.00 0.00 54.97 53.31 1a6x s GLU 147 Cb 0.07 0.08 -0.11 0.00 -0.44 0.00 0.00 34.13 33.73 1a6x s GLU 147 CO -0.01 -0.17 1.53 0.12 0.95 0.00 0.00 175.26 177.68 1a6x s PHE 148 N -3.89 2.88 0.00 4.83 2.19 -1.26 -1.01 117.98 121.73 1a6x s PHE 148 Ca 0.19 0.87 0.00 0.00 0.33 0.00 0.00 56.93 58.32 1a6x s PHE 148 Cb 0.07 -3.96 0.00 0.00 -1.31 0.00 0.00 43.02 37.82 1a6x s PHE 148 CO -0.01 -3.20 0.00 -3.47 1.83 0.00 0.00 175.22 170.37 1a6x n ASP 149 N 2.35 0.00 -4.79 6.13 2.03 -1.13 -5.00 116.55 116.13 1a6x n ASP 149 Ca 0.08 0.00 -0.39 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 -0.70 -1.92 0.00 0.00 177.20 174.58 1a6x s GLU 150 N -0.09 4.40 0.66 -0.67 -6.30 -0.18 -4.89 118.70 111.64 1a6x s GLU 150 Ca 0.00 0.97 -0.12 0.00 -2.50 0.00 0.00 54.97 53.31 1a6x s GLU 150 Cb 0.00 -3.25 -0.01 0.00 0.00 0.00 0.00 34.13 30.87 1a6x s GLU 150 CO 0.00 0.59 1.06 -1.25 0.02 0.00 0.00 175.26 175.68 1a6x s PRO 151 N -1.10 3.09 0.00 4.30 0.04 -1.26 0.24 135.00 140.31 1a6x s PRO 151 Ca 0.33 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.39 1a6x s PRO 151 Cb -0.21 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.32 1a6x s PRO 151 CO 0.23 -0.98 0.00 1.28 0.04 0.00 0.00 177.00 177.57 1a6x n LEU 152 N -2.76 0.00 -4.21 -3.56 4.77 0.13 -4.61 117.00 106.76 1a6x n LEU 152 Ca 0.08 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.80 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 0.53 -0.01 -0.52 -0.69 -1.33 0.00 0.00 177.39 175.37 1a6x s VAL 153 N -0.02 1.55 -0.19 4.08 1.01 -1.23 -0.65 120.40 124.95 1a6x s VAL 153 Ca 0.00 -0.88 -0.09 0.00 0.00 0.00 0.00 61.98 61.01 1a6x s VAL 153 Cb 0.00 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 35.04 1a6x s VAL 153 CO 0.00 0.40 0.11 -0.69 0.00 0.00 0.00 175.10 174.93 1a6x s VAL 154 N -0.50 5.23 0.31 2.92 1.01 0.41 0.11 120.40 129.89 1a6x s VAL 154 Ca 0.07 0.13 0.09 0.00 0.00 0.00 0.00 61.98 62.27 1a6x s VAL 154 Cb -0.08 -3.37 -0.06 0.00 0.00 0.00 0.00 36.38 32.87 1a6x s VAL 154 CO -0.00 0.46 -0.11 -0.63 0.00 0.00 0.00 175.10 174.81 1a6x s ILE 155 N 0.28 2.16 -1.62 2.22 1.09 0.20 -0.50 121.20 125.03 1a6x s ILE 155 Ca 0.07 -2.23 0.13 0.00 -1.10 0.00 0.00 60.65 57.52 1a6x s ILE 155 Cb -0.11 -2.52 0.10 0.00 -1.06 0.00 0.00 42.46 38.87 1a6x s ILE 155 CO -0.01 -0.27 0.91 1.21 -0.10 0.00 0.00 174.94 176.68