#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 -0.39 -2.84 3.17 0.28 -1.26 -4.91 120.64 114.68 1a6x n GLU 71 Ca 0.00 0.26 0.03 0.00 -0.16 0.00 0.00 57.16 57.29 1a6x n GLU 71 Cb 0.00 -0.48 0.00 0.00 1.43 0.00 0.00 31.44 32.39 1a6x n GLU 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1a6x s ALA 72 N -1.39 -4.39 0.89 -1.84 0.00 -1.26 -5.17 121.76 108.59 1a6x s ALA 72 Ca 0.00 1.31 -0.12 0.00 0.00 0.00 0.00 51.96 53.14 1a6x s ALA 72 Cb 0.00 -2.98 0.12 0.00 0.00 0.00 0.00 23.12 20.26 1a6x s ALA 72 CO 0.00 -2.42 1.13 -1.25 0.00 0.00 0.00 175.76 173.22 1a6x s PRO 73 N 2.17 1.34 -0.96 0.00 0.04 -1.26 -4.26 135.00 132.07 1a6x s PRO 73 Ca 0.17 0.37 -0.12 0.00 0.04 0.00 0.00 61.00 61.46 1a6x s PRO 73 Cb 0.02 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.72 1a6x s PRO 73 CO -0.16 -2.08 0.67 0.00 0.04 0.00 0.00 177.00 175.47 1a6x n ALA 74 N -3.70 -2.68 -0.76 8.56 0.00 -1.26 -4.89 120.51 115.79 1a6x n ALA 74 Ca 0.07 -0.30 -0.30 0.00 0.00 0.00 0.00 53.44 52.90 1a6x n ALA 74 Cb 0.59 -1.90 0.18 0.00 0.00 0.00 0.00 19.45 18.32 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 -3.20 0.91 0.13 0.00 0.00 -1.26 -4.90 121.76 113.44 1a6x s ALA 75 Ca 0.20 0.25 -0.28 0.00 0.00 0.00 0.00 51.96 52.13 1a6x s ALA 75 Cb -0.10 -3.34 -0.08 0.00 0.00 0.00 0.00 23.12 19.61 1a6x s ALA 75 CO 0.89 -2.99 1.48 0.00 0.00 0.00 0.00 175.76 175.15 1a6x h ALA 76 N -2.02 -0.60 -1.40 0.00 0.00 -1.95 -3.35 119.26 109.95 1a6x h ALA 76 Ca -0.50 0.06 -0.38 0.00 0.00 0.00 0.00 54.91 54.08 1a6x h ALA 76 Cb 1.29 1.22 -0.27 0.00 0.00 0.00 0.00 17.79 20.03 1a6x h ALA 76 CO 0.47 -0.91 -0.77 -1.91 0.00 0.00 0.00 179.25 176.13 1a6x n GLU 77 N -5.03 0.53 -3.94 0.00 4.07 -1.26 -4.98 120.64 110.03 1a6x n GLU 77 Ca -0.01 -2.56 -0.37 0.00 -0.06 0.00 0.00 57.16 54.17 1a6x n GLU 77 Cb 0.26 -1.47 0.01 0.00 -0.06 0.00 0.00 31.44 30.19 1a6x n GLU 77 CO 0.00 0.00 0.00 1.51 -0.06 0.00 0.00 177.13 178.58 1a6x n ILE 78 N 2.30 -3.18 0.00 6.31 0.13 -1.26 -4.86 119.36 118.80 1a6x n ILE 78 Ca 0.20 -0.37 0.00 0.00 -1.10 0.00 0.00 62.75 61.48 1a6x n ILE 78 Cb 0.55 -2.69 0.00 0.00 -0.84 0.00 0.00 39.64 36.66 1a6x n ILE 78 CO 0.00 0.00 0.00 -1.20 2.80 0.00 0.00 176.55 178.15 1a6x n SER 79 N -2.36 0.00 -3.87 9.51 7.64 -1.26 -4.17 113.62 119.12 1a6x n SER 79 Ca -0.19 0.47 -0.29 0.00 1.01 0.00 0.00 58.87 59.87 1a6x n SER 79 Cb 0.62 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.66 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 -0.86 -0.42 2.83 0.23 0.00 -1.23 -3.96 105.19 101.78 1a6x n GLY 80 Ca 0.00 0.58 -0.30 0.00 0.00 0.00 0.00 46.02 46.30 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 4.55 2.14 -0.24 1.61 2.46 0.95 -4.95 115.29 121.80 1a6x s HIS 81 Ca 1.15 -1.86 -0.19 0.00 0.47 0.00 0.00 55.06 54.64 1a6x s HIS 81 Cb -0.94 -1.81 -0.02 0.00 -0.13 0.00 0.00 32.58 29.68 1a6x s HIS 81 CO 0.45 -0.84 0.57 0.42 -2.47 0.00 0.00 174.74 172.87 1a6x s ILE 82 N 1.47 5.04 -0.12 0.89 1.09 -1.26 -0.89 121.20 127.42 1a6x s ILE 82 Ca 0.05 1.01 -0.29 0.00 -1.10 0.00 0.00 60.65 60.32 1a6x s ILE 82 Cb -0.18 -3.88 -0.02 0.00 -1.06 0.00 0.00 42.46 37.32 1a6x s ILE 82 CO -0.16 0.08 1.27 -0.69 -0.10 0.00 0.00 174.94 175.34 1a6x s VAL 83 N 2.25 4.21 -0.33 2.92 1.01 0.04 -4.90 120.40 125.60 1a6x s VAL 83 Ca 0.24 1.49 -0.12 0.00 0.00 0.00 0.00 61.98 63.59 1a6x s VAL 83 Cb -0.16 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 1a6x s VAL 83 CO 0.09 -0.09 0.22 -0.13 0.00 0.00 0.00 175.10 175.20 1a6x s ARG 84 N 3.09 3.49 -0.95 2.72 0.52 -1.26 0.19 118.95 126.74 1a6x s ARG 84 Ca 0.56 -0.64 -0.32 0.00 -0.52 0.00 0.00 55.73 54.81 1a6x s ARG 84 Cb -0.24 -3.76 -0.21 0.00 0.52 0.00 0.00 34.95 31.26 1a6x s ARG 84 CO 0.18 -0.43 2.65 -1.13 0.02 0.00 0.00 175.30 176.60 1a6x n SER 85 N 5.08 0.38 0.00 0.23 3.41 0.14 -4.68 113.62 118.18 1a6x n SER 85 Ca -0.13 0.19 0.12 0.00 -0.26 0.00 0.00 58.87 58.79 1a6x n SER 85 Cb 0.50 -0.94 0.69 0.00 -0.26 0.00 0.00 64.21 64.20 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 8.45 0.75 -3.68 4.33 -0.04 -1.26 -3.87 135.00 139.68 1a6x n PRO 86 Ca 0.64 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 64.00 1a6x n PRO 86 Cb 0.04 -1.49 -0.11 0.00 -0.04 0.00 0.00 33.50 31.91 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 0.31 0.31 0.54 1.75 -1.26 -5.03 119.30 113.92 1a6x s MET 87 Ca 0.35 0.88 -0.29 0.00 -1.25 0.00 0.00 55.69 55.38 1a6x s MET 87 Cb 0.16 0.13 -0.10 0.00 2.84 0.00 0.00 34.83 37.86 1a6x s MET 87 CO 0.27 -0.22 1.20 0.08 -0.65 0.00 0.00 175.02 175.70 1a6x s VAL 88 N 2.09 3.11 0.00 10.11 1.01 -1.26 -4.73 120.40 130.74 1a6x s VAL 88 Ca -0.04 1.12 0.00 0.00 0.00 0.00 0.00 61.98 63.06 1a6x s VAL 88 Cb -0.11 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1a6x s VAL 88 CO -0.12 0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.86 1a6x n GLY 89 N 1.00 -0.27 3.49 4.51 0.00 -0.51 -4.71 105.19 108.70 1a6x n GLY 89 Ca -0.01 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 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 1.61 -0.02 2.61 2.01 -0.28 -0.21 115.64 121.35 1a6x s THR 90 Ca 0.00 -2.06 -0.01 0.00 0.31 0.00 0.00 61.69 59.93 1a6x s THR 90 Cb 0.00 -2.71 0.02 0.00 0.01 0.00 0.00 72.50 69.81 1a6x s THR 90 CO 0.00 -0.12 0.04 0.12 -0.69 0.00 0.00 174.62 173.98 1a6x s PHE 91 N -3.02 -0.03 0.14 4.92 2.19 0.72 -0.74 117.98 122.17 1a6x s PHE 91 Ca 0.33 0.14 0.07 0.00 0.33 0.00 0.00 56.93 57.81 1a6x s PHE 91 Cb 0.07 -0.08 -0.04 0.00 -1.31 0.00 0.00 43.02 41.66 1a6x s PHE 91 CO 0.15 -0.06 -0.16 0.71 1.83 0.00 0.00 175.22 177.70 1a6x s TYR 92 N 0.49 1.58 -0.56 10.12 2.02 0.69 0.45 117.35 132.14 1a6x s TYR 92 Ca -0.04 -0.53 0.18 0.00 -0.37 0.00 0.00 57.07 56.32 1a6x s TYR 92 Cb -0.06 -0.81 -0.23 0.00 -0.40 0.00 0.00 41.96 40.47 1a6x s TYR 92 CO -0.02 0.23 0.64 0.54 -1.57 0.00 0.00 175.55 175.37 1a6x n ARG 93 N 0.37 0.89 -4.23 -0.62 5.12 -1.26 -1.12 116.66 115.80 1a6x n ARG 93 Ca -0.14 -0.06 -0.17 0.00 -1.93 0.00 0.00 57.85 55.55 1a6x n ARG 93 Cb 0.57 -1.38 -0.11 0.00 -1.16 0.00 0.00 32.46 30.38 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 -2.90 1.25 -0.04 0.55 -4.23 -1.26 -1.28 115.64 107.73 1a6x s THR 94 Ca 0.02 -1.76 0.22 0.00 -1.18 0.00 0.00 61.69 59.00 1a6x s THR 94 Cb 0.13 -1.55 0.22 0.00 1.34 0.00 0.00 72.50 72.64 1a6x s THR 94 CO 0.75 -0.49 1.70 1.55 -0.54 0.00 0.00 174.62 177.60 1a6x h PRO 95 N 3.41 0.00 -3.99 3.99 0.13 -1.88 -3.46 132.00 130.20 1a6x h PRO 95 Ca -0.39 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.52 1a6x h PRO 95 Cb 1.19 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.25 1a6x h PRO 95 CO 0.53 0.24 -0.16 0.45 -0.23 0.00 0.00 178.00 178.83 1a6x s SER 96 N -6.22 0.67 -0.07 1.44 0.15 -1.26 -5.05 113.70 103.36 1a6x s SER 96 Ca 0.03 -1.37 -0.26 0.00 0.70 0.00 0.00 55.95 55.04 1a6x s SER 96 Cb 0.09 0.65 -0.23 0.00 -1.71 0.00 0.00 66.02 64.82 1a6x s SER 96 CO 0.66 -1.28 1.03 1.55 1.20 0.00 0.00 173.24 176.40 1a6x h PRO 97 N 2.14 0.06 -1.21 5.44 0.13 -1.98 -3.23 132.00 133.35 1a6x h PRO 97 Ca -0.28 -0.05 -0.38 0.00 -0.87 0.00 0.00 66.00 64.41 1a6x h PRO 97 Cb 1.24 0.01 -0.19 0.00 0.13 0.00 0.00 31.00 32.20 1a6x h PRO 97 CO 0.39 0.79 0.49 -3.47 -0.23 0.00 0.00 178.00 175.97 1a6x n ASP 98 N -4.67 5.33 -4.34 1.44 2.03 -1.26 -4.87 116.55 110.22 1a6x n ASP 98 Ca -0.09 -3.16 -0.28 0.00 0.52 0.00 0.00 54.79 51.78 1a6x n ASP 98 Cb 0.40 -0.89 -0.14 0.00 -0.72 0.00 0.00 41.12 39.77 1a6x n ASP 98 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1a6x s ALA 99 N -2.26 2.16 1.06 -1.67 0.00 -1.22 -5.13 121.76 114.70 1a6x s ALA 99 Ca 0.39 -1.29 -0.12 0.00 0.00 0.00 0.00 51.96 50.93 1a6x s ALA 99 Cb 0.31 -0.40 0.23 0.00 0.00 0.00 0.00 23.12 23.26 1a6x s ALA 99 CO 0.03 0.49 1.06 0.15 0.00 0.00 0.00 175.76 177.50 1a6x s LYS 100 N -1.55 -0.11 0.09 0.00 1.02 -1.26 -4.76 119.74 113.17 1a6x s LYS 100 Ca 0.11 0.87 -0.30 0.00 0.02 0.00 0.00 55.97 56.67 1a6x s LYS 100 Cb -0.10 -1.65 -0.06 0.00 -0.52 0.00 0.00 37.83 35.51 1a6x s LYS 100 CO 0.03 -3.19 1.06 0.00 -0.92 0.00 0.00 175.35 172.33 1a6x s ALA 101 N -2.65 3.29 0.29 5.17 0.00 -1.26 -4.46 121.76 122.14 1a6x s ALA 101 Ca 0.67 0.70 0.03 0.00 0.00 0.00 0.00 51.96 53.36 1a6x s ALA 101 Cb -0.22 -3.35 0.72 0.00 0.00 0.00 0.00 23.12 20.26 1a6x s ALA 101 CO 0.61 -0.22 1.69 0.74 0.00 0.00 0.00 175.76 178.59 1a6x h PHE 102 N 5.99 0.62 -3.30 0.00 0.04 -1.54 -3.37 116.94 115.37 1a6x h PHE 102 Ca -0.43 0.04 -0.39 0.00 2.80 0.00 0.00 57.97 59.99 1a6x h PHE 102 Cb 1.21 -0.13 -0.38 0.00 2.20 0.00 0.00 35.95 38.85 1a6x h PHE 102 CO 0.65 -0.06 -0.75 0.42 -0.60 0.00 0.00 178.31 177.97 1a6x s ILE 103 N -5.89 0.09 -0.31 -0.55 1.09 -1.26 -4.91 121.20 109.46 1a6x s ILE 103 Ca -0.12 0.30 -0.23 0.00 -1.10 0.00 0.00 60.65 59.50 1a6x s ILE 103 Cb 0.25 -0.30 0.00 0.00 -1.06 0.00 0.00 42.46 41.35 1a6x s ILE 103 CO 0.78 0.21 0.79 -0.70 -0.10 0.00 0.00 174.94 175.91 1a6x s GLU 104 N 2.04 3.97 -0.49 2.79 2.56 -1.26 -4.95 118.70 123.35 1a6x s GLU 104 Ca 0.04 0.59 -0.45 0.00 0.00 0.00 0.00 54.97 55.15 1a6x s GLU 104 Cb -0.12 -3.73 -0.19 0.00 2.00 0.00 0.00 34.13 32.09 1a6x s GLU 104 CO -0.04 -0.68 1.76 0.28 -0.56 0.00 0.00 175.26 176.02 1a6x n VAL 105 N 5.53 0.00 0.00 3.70 0.31 -1.26 -1.08 118.33 125.53 1a6x n VAL 105 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1a6x n VAL 105 Cb 0.48 -0.49 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 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 5.10 1.18 3.78 2.92 0.00 -1.26 -5.12 105.19 111.79 1a6x n GLY 106 Ca 0.39 0.00 -0.24 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 -0.18 2.28 0.34 1.61 0.74 -0.24 -4.99 119.66 119.22 1a6x s GLN 107 Ca 0.00 -1.83 0.08 0.00 0.05 0.00 0.00 55.36 53.66 1a6x s GLN 107 Cb 0.00 -2.04 -0.04 0.00 1.10 0.00 0.00 33.01 32.03 1a6x s GLN 107 CO 0.00 -0.19 0.15 0.15 -0.55 0.00 0.00 175.29 174.86 1a6x s LYS 108 N -3.98 2.38 -0.02 1.67 3.01 -1.26 -2.88 119.74 118.66 1a6x s LYS 108 Ca 0.40 -1.55 -0.01 0.00 -1.01 0.00 0.00 55.97 53.80 1a6x s LYS 108 Cb 0.02 -2.18 0.01 0.00 -1.01 0.00 0.00 37.83 34.67 1a6x s LYS 108 CO 0.23 0.10 0.05 0.14 0.51 0.00 0.00 175.35 176.37 1a6x s VAL 109 N -2.43 -0.01 0.14 3.17 -7.23 -0.42 -5.00 120.40 108.62 1a6x s VAL 109 Ca 0.38 0.04 0.11 0.00 -1.81 0.00 0.00 61.98 60.70 1a6x s VAL 109 Cb -0.02 -0.08 -0.04 0.00 0.56 0.00 0.00 36.38 36.80 1a6x s VAL 109 CO 0.23 0.02 -0.25 0.21 -0.31 0.00 0.00 175.10 174.99 1a6x s ASN 110 N 0.25 3.40 -0.52 4.85 3.84 -1.26 -0.76 114.94 124.74 1a6x s ASN 110 Ca -0.02 -0.75 -0.43 0.00 0.21 0.00 0.00 52.86 51.87 1a6x s ASN 110 Cb -0.03 -0.26 -0.19 0.00 -0.55 0.00 0.00 41.25 40.22 1a6x s ASN 110 CO -0.01 0.17 2.17 0.55 -2.79 0.00 0.00 177.10 177.19 1a6x n VAL 111 N 0.76 0.00 0.00 -5.21 3.14 -1.26 0.54 118.33 116.30 1a6x n VAL 111 Ca -0.17 -0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 1a6x n VAL 111 Cb 0.54 -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 1.88 3.76 7.55 0.00 -1.11 -5.02 105.19 119.67 1a6x n GLY 112 Ca 0.55 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 -1.46 7.17 0.78 1.61 1.01 0.19 -4.75 116.67 121.22 1a6x s ASP 113 Ca 0.00 1.39 -0.14 0.00 0.71 0.00 0.00 52.55 54.51 1a6x s ASP 113 Cb 0.00 -2.44 0.07 0.00 1.01 0.00 0.00 42.92 41.56 1a6x s ASP 113 CO 0.00 0.09 1.21 -0.89 0.21 0.00 0.00 175.17 175.79 1a6x s THR 114 N -0.36 2.12 0.00 -1.27 2.01 -1.26 -0.04 115.64 116.84 1a6x s THR 114 Ca 0.35 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.41 1a6x s THR 114 Cb -0.20 -2.53 0.00 0.00 0.01 0.00 0.00 72.50 69.77 1a6x s THR 114 CO 0.22 -0.04 0.00 -0.11 -0.69 0.00 0.00 174.62 174.00 1a6x n LEU 115 N -3.09 2.66 0.00 4.42 7.94 0.11 -4.64 117.00 124.40 1a6x n LEU 115 Ca 0.14 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.04 1a6x n LEU 115 Cb 0.50 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.45 1a6x n LEU 115 CO 0.48 0.44 0.00 0.00 -1.11 0.00 0.00 177.39 177.20 1a6x s ILE 117 N -2.68 1.52 -0.02 0.00 1.01 -0.28 0.23 121.20 120.99 1a6x s ILE 117 Ca 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 60.65 58.62 1a6x s ILE 117 Cb 0.00 -1.86 0.02 0.00 0.01 0.00 0.00 42.46 40.63 1a6x s ILE 117 CO 0.00 -0.56 0.02 -0.69 0.00 0.00 0.00 174.94 173.71 1a6x s VAL 118 N -2.77 -0.01 -0.13 2.92 1.01 0.11 -0.22 120.40 121.31 1a6x s VAL 118 Ca 0.17 0.15 -0.16 0.00 0.00 0.00 0.00 61.98 62.14 1a6x s VAL 118 Cb -0.01 -0.10 -0.04 0.00 0.00 0.00 0.00 36.38 36.22 1a6x s VAL 118 CO 0.04 0.08 0.39 -0.70 0.00 0.00 0.00 175.10 174.91 1a6x s GLU 119 N 0.82 4.27 -0.03 2.72 2.12 0.08 -0.60 118.70 128.08 1a6x s GLU 119 Ca -0.07 0.29 -0.23 0.00 0.36 0.00 0.00 54.97 55.32 1a6x s GLU 119 Cb -0.10 -3.42 0.05 0.00 0.26 0.00 0.00 34.13 30.92 1a6x s GLU 119 CO -0.02 0.23 0.50 0.00 -0.54 0.00 0.00 175.26 175.43 1a6x s ALA 120 N 0.44 -1.29 -1.39 6.30 0.00 -0.20 -1.13 121.76 124.50 1a6x s ALA 120 Ca 0.22 0.83 0.00 0.00 0.00 0.00 0.00 51.96 53.01 1a6x s ALA 120 Cb -0.14 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.02 1a6x s ALA 120 CO 0.08 -0.32 0.00 -1.33 0.00 0.00 0.00 175.76 174.19 1a6x n MET 121 N 1.07 -1.36 -2.81 0.00 2.81 -1.26 0.22 117.12 115.79 1a6x n MET 121 Ca -0.20 0.80 -0.08 0.00 -1.81 0.00 0.00 57.70 56.41 1a6x n MET 121 Cb 0.57 -5.03 0.03 0.00 -0.71 0.00 0.00 33.22 28.07 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 -1.74 -2.58 -3.71 0.03 4.81 -1.26 -5.04 118.16 108.66 1a6x n LYS 122 Ca -0.13 0.28 -0.14 0.00 -0.87 0.00 0.00 58.31 57.44 1a6x n LYS 122 Cb 0.46 -3.62 -0.09 0.00 0.02 0.00 0.00 35.03 31.80 1a6x n LYS 122 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 1a6x s MET 123 N -5.30 0.66 0.02 1.64 -1.94 0.13 -5.15 119.30 109.38 1a6x s MET 123 Ca 0.17 0.15 -0.28 0.00 -1.71 0.00 0.00 55.69 54.01 1a6x s MET 123 Cb -0.07 0.31 -0.04 0.00 2.01 0.00 0.00 34.83 37.03 1a6x s MET 123 CO 0.24 -0.16 0.89 -1.64 -0.01 0.00 0.00 175.02 174.34 1a6x s MET 124 N -0.76 4.56 -0.21 2.03 -1.94 -1.26 -1.03 119.30 120.69 1a6x s MET 124 Ca -0.08 1.28 -0.02 0.00 -1.71 0.00 0.00 55.69 55.15 1a6x s MET 124 Cb -0.04 -3.42 0.06 0.00 2.01 0.00 0.00 34.83 33.44 1a6x s MET 124 CO 0.04 0.09 0.01 -0.80 -0.01 0.00 0.00 175.02 174.35 1a6x s ASN 125 N 0.54 3.18 0.59 3.03 0.01 0.23 -4.98 114.94 117.54 1a6x s ASN 125 Ca 0.46 -0.92 -0.16 0.00 -0.71 0.00 0.00 52.86 51.53 1a6x s ASN 125 Cb -0.21 -0.76 -0.04 0.00 0.41 0.00 0.00 41.25 40.65 1a6x s ASN 125 CO 0.26 -0.29 1.07 -1.10 -1.51 0.00 0.00 177.10 175.53 1a6x s GLN 126 N 1.72 3.28 -0.20 -0.60 -0.21 -1.26 0.04 119.66 122.43 1a6x s GLN 126 Ca -0.02 1.25 0.01 0.00 0.02 0.00 0.00 55.36 56.62 1a6x s GLN 126 Cb -0.18 -2.02 0.03 0.00 1.00 0.00 0.00 33.01 31.84 1a6x s GLN 126 CO -0.07 -0.85 -0.15 0.42 -2.12 0.00 0.00 175.29 172.52 1a6x s ILE 127 N -2.38 1.96 -0.14 1.08 1.01 0.14 -4.87 121.20 118.00 1a6x s ILE 127 Ca 0.65 -1.10 -0.17 0.00 0.00 0.00 0.00 60.65 60.03 1a6x s ILE 127 Cb -0.17 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 1a6x s ILE 127 CO 0.36 0.32 0.43 -0.70 0.00 0.00 0.00 174.94 175.35 1a6x s GLU 128 N 1.28 4.29 0.15 2.79 2.12 -1.26 -0.71 118.70 127.36 1a6x s GLU 128 Ca 0.00 0.34 -0.34 0.00 0.36 0.00 0.00 54.97 55.33 1a6x s GLU 128 Cb -0.15 -3.45 -0.16 0.00 0.26 0.00 0.00 34.13 30.62 1a6x s GLU 128 CO -0.10 0.13 1.22 0.00 -0.54 0.00 0.00 175.26 175.97 1a6x n ALA 129 N 3.81 -0.84 -0.90 6.30 0.00 0.94 -4.86 120.51 124.97 1a6x n ALA 129 Ca -0.08 0.48 0.07 0.00 0.00 0.00 0.00 53.44 53.91 1a6x n ALA 129 Cb 0.52 -2.04 0.10 0.00 0.00 0.00 0.00 19.45 18.02 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 2.17 2.11 -2.92 0.00 -0.08 -1.26 -2.75 116.55 113.83 1a6x n ASP 130 Ca 0.16 -2.77 0.01 0.00 -1.51 0.00 0.00 54.79 50.67 1a6x n ASP 130 Cb 0.23 -0.32 0.00 0.00 2.34 0.00 0.00 41.12 43.37 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 -2.29 0.49 0.13 -0.67 2.20 -1.26 -4.99 119.74 113.36 1a6x s LYS 131 Ca 0.23 -0.23 -0.30 0.00 -0.36 0.00 0.00 55.97 55.31 1a6x s LYS 131 Cb 0.20 0.04 -0.17 0.00 -1.51 0.00 0.00 37.83 36.39 1a6x s LYS 131 CO 0.02 -0.69 0.66 -1.13 -0.36 0.00 0.00 175.35 173.85 1a6x n SER 132 N 3.80 -0.84 -1.47 1.43 3.41 -1.26 -4.87 113.62 113.81 1a6x n SER 132 Ca 0.09 1.09 -0.01 0.00 -0.26 0.00 0.00 58.87 59.78 1a6x n SER 132 Cb 0.60 -0.90 0.01 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 1.78 1.32 3.18 5.00 0.00 0.06 -4.96 105.19 111.57 1a6x n GLY 133 Ca 0.18 -1.00 -0.24 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.55 1.40 0.96 2.61 2.01 -1.26 -1.31 115.64 117.50 1a6x s THR 134 Ca 0.05 -0.85 -0.17 0.00 0.31 0.00 0.00 61.69 61.03 1a6x s THR 134 Cb -0.01 -1.18 -0.15 0.00 0.01 0.00 0.00 72.50 71.17 1a6x s THR 134 CO 0.02 0.32 -0.75 0.55 -0.69 0.00 0.00 174.62 174.07 1a6x n VAL 135 N 2.44 0.00 0.00 3.82 3.14 -1.14 0.19 118.33 126.78 1a6x n VAL 135 Ca -0.15 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.73 1a6x n VAL 135 Cb 0.54 -0.01 0.00 0.00 -1.06 0.00 0.00 33.84 33.31 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 2.38 0.00 0.00 1.45 3.00 -0.36 -3.82 118.16 120.81 1a6x n LYS 136 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1a6x n LYS 136 Cb 0.55 -0.11 0.00 0.00 0.00 0.00 0.00 35.03 35.48 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 -2.09 0.00 -2.77 3.14 0.00 -0.20 -4.96 120.51 113.63 1a6x n ALA 137 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1a6x n ALA 137 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 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 -0.29 5.00 -0.18 0.00 1.09 -1.26 0.19 121.20 125.74 1a6x s ILE 138 Ca 0.00 0.05 -0.11 0.00 -1.10 0.00 0.00 60.65 59.49 1a6x s ILE 138 Cb 0.00 -3.31 -0.21 0.00 -1.06 0.00 0.00 42.46 37.87 1a6x s ILE 138 CO 0.00 0.37 0.17 0.18 -0.10 0.00 0.00 174.94 175.56 1a6x n LEU 139 N 4.26 2.37 -4.85 2.97 4.77 -0.54 -4.93 117.00 121.04 1a6x n LEU 139 Ca -0.16 0.25 -0.32 0.00 -0.03 0.00 0.00 56.01 55.76 1a6x n LEU 139 Cb 0.52 -1.02 -0.01 0.00 -2.33 0.00 0.00 43.42 40.58 1a6x n LEU 139 CO 0.34 0.66 0.70 0.54 -1.33 0.00 0.00 177.39 178.30 1a6x s VAL 140 N -2.49 4.60 0.46 4.08 0.11 -0.64 -5.07 120.40 121.46 1a6x s VAL 140 Ca -0.28 1.06 0.06 0.00 -2.93 0.00 0.00 61.98 59.90 1a6x s VAL 140 Cb 0.07 -3.78 -0.02 0.00 -1.53 0.00 0.00 36.38 31.13 1a6x s VAL 140 CO 0.67 -0.89 0.26 -1.61 -3.33 0.00 0.00 175.10 170.19 1a6x s GLU 141 N -4.57 2.27 -0.81 1.54 2.02 -1.26 -4.96 118.70 112.94 1a6x s GLU 141 Ca 0.57 -1.91 -0.26 0.00 0.02 0.00 0.00 54.97 53.39 1a6x s GLU 141 Cb -0.10 -2.03 0.04 0.00 0.10 0.00 0.00 34.13 32.13 1a6x s GLU 141 CO 0.41 -0.31 1.31 0.45 0.02 0.00 0.00 175.26 177.14 1a6x s SER 142 N -4.05 6.25 0.00 -0.19 0.15 -1.26 -2.58 113.70 112.01 1a6x s SER 142 Ca 0.36 -0.73 0.00 0.00 0.70 0.00 0.00 55.95 56.29 1a6x s SER 142 Cb 0.01 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1a6x s SER 142 CO 0.21 -1.74 0.00 0.61 1.20 0.00 0.00 173.24 173.52 1a6x n GLY 143 N 5.74 0.96 3.81 9.45 0.00 0.17 -4.86 105.19 120.46 1a6x n GLY 143 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.30 3.95 0.72 1.61 1.11 -1.07 -4.70 119.66 120.99 1a6x s GLN 144 Ca 0.00 1.25 -0.11 0.00 0.01 0.00 0.00 55.36 56.51 1a6x s GLN 144 Cb 0.00 -2.13 0.02 0.00 -1.01 0.00 0.00 33.01 29.90 1a6x s GLN 144 CO 0.00 -0.29 1.07 -1.25 0.01 0.00 0.00 175.29 174.83 1a6x s PRO 145 N -3.26 2.70 0.05 2.91 0.04 -1.26 -0.20 135.00 135.98 1a6x s PRO 145 Ca 0.65 0.87 -0.04 0.00 0.04 0.00 0.00 61.00 62.51 1a6x s PRO 145 Cb -0.13 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 1a6x s PRO 145 CO 0.18 -1.24 0.07 0.14 0.04 0.00 0.00 177.00 176.18 1a6x s VAL 146 N -3.08 0.16 0.08 -0.36 -7.23 0.70 -4.73 120.40 105.94 1a6x s VAL 146 Ca 0.59 -1.35 0.01 0.00 -1.81 0.00 0.00 61.98 59.42 1a6x s VAL 146 Cb -0.14 -1.18 -0.04 0.00 0.56 0.00 0.00 36.38 35.58 1a6x s VAL 146 CO 0.55 -0.75 -0.06 -1.61 -0.31 0.00 0.00 175.10 172.93 1a6x s GLU 147 N -3.29 0.75 0.32 4.82 0.41 -1.26 -1.43 118.70 119.01 1a6x s GLU 147 Ca 0.01 -1.25 -0.29 0.00 -0.41 0.00 0.00 54.97 53.03 1a6x s GLU 147 Cb 0.03 -0.10 -0.11 0.00 -1.78 0.00 0.00 34.13 32.17 1a6x s GLU 147 CO -0.08 -0.04 1.54 0.12 -0.49 0.00 0.00 175.26 176.32 1a6x s PHE 148 N -3.50 2.71 0.00 1.61 5.36 -1.26 -0.94 117.98 121.96 1a6x s PHE 148 Ca 0.09 0.94 0.00 0.00 -0.96 0.00 0.00 56.93 56.99 1a6x s PHE 148 Cb 0.05 -4.04 0.00 0.00 -0.34 0.00 0.00 43.02 38.69 1a6x s PHE 148 CO -0.06 -3.31 0.00 -0.40 -1.46 0.00 0.00 175.22 169.99 1a6x n ASP 149 N 1.56 0.00 -4.79 6.13 5.68 -1.25 -5.00 116.55 118.87 1a6x n ASP 149 Ca 0.05 0.00 -0.39 0.00 -0.50 0.00 0.00 54.79 53.96 1a6x n ASP 149 Cb 0.38 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.30 1a6x n ASP 149 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 1a6x s GLU 150 N -0.13 4.29 0.60 0.11 -6.30 -0.11 -4.91 118.70 112.23 1a6x s GLU 150 Ca 0.00 0.81 -0.15 0.00 -2.50 0.00 0.00 54.97 53.12 1a6x s GLU 150 Cb 0.00 -3.27 -0.04 0.00 0.00 0.00 0.00 34.13 30.83 1a6x s GLU 150 CO 0.00 0.56 1.05 -1.25 0.02 0.00 0.00 175.26 175.64 1a6x s PRO 151 N -0.90 3.35 0.00 4.30 0.04 -1.26 0.24 135.00 140.77 1a6x s PRO 151 Ca 0.31 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.50 1a6x s PRO 151 Cb -0.20 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.30 1a6x s PRO 151 CO 0.20 -0.78 0.00 1.28 0.04 0.00 0.00 177.00 177.74 1a6x n LEU 152 N -2.09 0.00 -4.30 -3.56 4.77 0.49 -4.62 117.00 107.69 1a6x n LEU 152 Ca 0.08 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.75 1a6x n LEU 152 Cb 0.53 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.46 1a6x n LEU 152 CO 0.48 0.00 -0.56 -0.69 -1.33 0.00 0.00 177.39 175.29 1a6x s VAL 153 N 0.00 2.10 -0.17 4.08 1.01 -1.25 -1.47 120.40 124.70 1a6x s VAL 153 Ca 0.00 -1.08 -0.13 0.00 0.00 0.00 0.00 61.98 60.77 1a6x s VAL 153 Cb 0.00 -1.74 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 1a6x s VAL 153 CO 0.00 0.58 0.28 -0.69 0.00 0.00 0.00 175.10 175.27 1a6x s VAL 154 N -0.45 5.31 0.33 2.92 1.01 0.51 -0.78 120.40 129.25 1a6x s VAL 154 Ca 0.05 0.51 0.10 0.00 0.00 0.00 0.00 61.98 62.64 1a6x s VAL 154 Cb -0.11 -3.62 -0.06 0.00 0.00 0.00 0.00 36.38 32.59 1a6x s VAL 154 CO 0.01 0.38 -0.08 -0.63 0.00 0.00 0.00 175.10 174.77 1a6x s ILE 155 N 0.59 2.43 -1.89 2.22 -1.09 -0.07 -1.04 121.20 122.35 1a6x s ILE 155 Ca 0.15 -2.17 0.15 0.00 -2.23 0.00 0.00 60.65 56.55 1a6x s ILE 155 Cb -0.13 -2.63 0.12 0.00 -1.58 0.00 0.00 42.46 38.24 1a6x s ILE 155 CO 0.04 -0.24 0.98 -1.84 -1.23 0.00 0.00 174.94 172.64