#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 -1.69 -3.79 3.17 -0.58 -1.26 -4.92 120.64 111.56 1a6x n GLU 71 Ca 0.00 1.14 -0.35 0.00 -0.42 0.00 0.00 57.16 57.53 1a6x n GLU 71 Cb 0.00 -2.86 -0.11 0.00 -0.57 0.00 0.00 31.44 27.90 1a6x n GLU 71 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1a6x s ALA 72 N -2.51 3.44 0.10 0.62 0.00 -1.26 -4.92 121.76 117.23 1a6x s ALA 72 Ca 0.13 -3.14 -0.11 0.00 0.00 0.00 0.00 51.96 48.83 1a6x s ALA 72 Cb -0.02 -2.48 -0.17 0.00 0.00 0.00 0.00 23.12 20.45 1a6x s ALA 72 CO 0.87 -2.03 1.26 -1.00 0.00 0.00 0.00 175.76 174.86 1a6x h PRO 73 N 7.05 0.67 -3.74 0.00 0.13 -2.10 -3.43 132.00 130.59 1a6x h PRO 73 Ca -0.04 -0.65 -0.47 0.00 -0.87 0.00 0.00 66.00 63.96 1a6x h PRO 73 Cb 0.95 0.17 -0.38 0.00 0.13 0.00 0.00 31.00 31.87 1a6x h PRO 73 CO 0.70 1.25 -0.77 0.00 -0.23 0.00 0.00 178.00 178.95 1a6x s ALA 74 N -3.47 0.87 0.65 -0.56 0.00 -1.26 -5.14 121.76 112.86 1a6x s ALA 74 Ca -0.09 -0.33 -0.08 0.00 0.00 0.00 0.00 51.96 51.46 1a6x s ALA 74 Cb 0.08 -0.88 0.02 0.00 0.00 0.00 0.00 23.12 22.34 1a6x s ALA 74 CO 0.90 -0.63 1.00 0.00 0.00 0.00 0.00 175.76 177.04 1a6x s ALA 75 N 1.91 3.10 -1.04 0.00 0.00 -1.26 -4.92 121.76 119.55 1a6x s ALA 75 Ca 0.04 -0.57 -0.24 0.00 0.00 0.00 0.00 51.96 51.18 1a6x s ALA 75 Cb -0.13 -2.78 -0.09 0.00 0.00 0.00 0.00 23.12 20.11 1a6x s ALA 75 CO -0.06 -1.01 2.00 0.00 0.00 0.00 0.00 175.76 176.68 1a6x s ALA 76 N -3.18 1.52 -0.30 0.00 0.00 -1.26 -4.76 121.76 113.78 1a6x s ALA 76 Ca 0.56 -1.73 -0.00 0.00 0.00 0.00 0.00 51.96 50.79 1a6x s ALA 76 Cb -0.11 -4.63 0.19 0.00 0.00 0.00 0.00 23.12 18.57 1a6x s ALA 76 CO 0.48 -5.32 0.59 -2.00 0.00 0.00 0.00 175.76 169.51 1a6x s GLU 77 N 7.08 0.56 0.24 0.00 -6.30 -1.26 -5.16 118.70 113.86 1a6x s GLU 77 Ca 0.72 0.94 0.06 0.00 -2.50 0.00 0.00 54.97 54.19 1a6x s GLU 77 Cb -0.04 0.48 -0.05 0.00 0.00 0.00 0.00 34.13 34.51 1a6x s GLU 77 CO 0.08 -0.66 -0.06 0.96 0.02 0.00 0.00 175.26 175.60 1a6x s ILE 78 N 2.84 1.45 -0.35 -3.70 -0.00 -1.26 -5.12 121.20 115.06 1a6x s ILE 78 Ca 0.20 -2.11 -0.01 0.00 -0.00 0.00 0.00 60.65 58.72 1a6x s ILE 78 Cb -0.15 -2.30 0.08 0.00 -0.00 0.00 0.00 42.46 40.09 1a6x s ILE 78 CO -0.21 -0.39 0.09 -0.94 -0.00 0.00 0.00 174.94 173.48 1a6x s SER 79 N -3.36 5.01 0.00 4.36 1.04 -1.26 -4.90 113.70 114.59 1a6x s SER 79 Ca 0.27 -1.69 0.00 0.00 0.48 0.00 0.00 55.95 55.01 1a6x s SER 79 Cb 0.03 -1.75 0.00 0.00 0.10 0.00 0.00 66.02 64.41 1a6x s SER 79 CO 0.09 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.53 1a6x n GLY 80 N 4.56 1.27 2.72 7.32 0.00 0.49 -4.94 105.19 116.61 1a6x n GLY 80 Ca -0.07 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 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 1.41 -0.11 1.61 5.04 -0.31 -4.97 115.29 117.96 1a6x s HIS 81 Ca 0.00 -1.44 -0.18 0.00 -1.54 0.00 0.00 55.06 51.90 1a6x s HIS 81 Cb 0.00 -1.46 -0.04 0.00 0.04 0.00 0.00 32.58 31.12 1a6x s HIS 81 CO 0.00 -0.81 0.49 0.42 -2.34 0.00 0.00 174.74 172.50 1a6x s ILE 82 N 1.72 5.18 -0.23 0.89 1.09 -1.26 -0.89 121.20 127.69 1a6x s ILE 82 Ca 0.07 0.98 -0.28 0.00 -1.10 0.00 0.00 60.65 60.32 1a6x s ILE 82 Cb -0.17 -3.83 0.01 0.00 -1.06 0.00 0.00 42.46 37.41 1a6x s ILE 82 CO -0.22 0.33 0.99 -0.69 -0.10 0.00 0.00 174.94 175.25 1a6x s VAL 83 N 0.60 4.72 -0.34 2.92 1.01 0.11 -4.94 120.40 124.47 1a6x s VAL 83 Ca 0.27 1.92 -0.10 0.00 0.00 0.00 0.00 61.98 64.07 1a6x s VAL 83 Cb -0.15 -4.27 0.01 0.00 0.00 0.00 0.00 36.38 31.97 1a6x s VAL 83 CO 0.11 -0.16 0.17 -0.13 0.00 0.00 0.00 175.10 175.09 1a6x s ARG 84 N 3.12 3.08 -0.69 2.72 0.52 -1.26 0.93 118.95 127.36 1a6x s ARG 84 Ca 0.42 -0.90 -0.33 0.00 -0.52 0.00 0.00 55.73 54.39 1a6x s ARG 84 Cb -0.15 -3.63 -0.17 0.00 0.52 0.00 0.00 34.95 31.52 1a6x s ARG 84 CO 0.06 -0.55 2.45 -1.13 0.02 0.00 0.00 175.30 176.15 1a6x n SER 85 N 4.98 1.07 0.00 0.23 3.41 0.14 -4.71 113.62 118.73 1a6x n SER 85 Ca -0.13 0.20 0.12 0.00 -0.26 0.00 0.00 58.87 58.80 1a6x n SER 85 Cb 0.48 -1.09 0.68 0.00 -0.26 0.00 0.00 64.21 64.02 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 8.34 0.75 -3.73 4.33 -0.04 -1.26 -2.59 135.00 140.79 1a6x n PRO 86 Ca 0.54 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.88 1a6x n PRO 86 Cb 0.14 -1.48 -0.12 0.00 -0.04 0.00 0.00 33.50 32.01 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 0.33 0.37 0.54 -1.94 -1.26 -4.93 119.30 110.41 1a6x s MET 87 Ca 0.35 0.57 -0.25 0.00 -1.71 0.00 0.00 55.69 54.65 1a6x s MET 87 Cb 0.16 0.03 -0.09 0.00 2.01 0.00 0.00 34.83 36.94 1a6x s MET 87 CO 0.27 -0.11 1.07 0.08 -0.01 0.00 0.00 175.02 176.31 1a6x s VAL 88 N 0.87 3.64 0.00 -6.03 1.01 -1.26 -4.64 120.40 113.98 1a6x s VAL 88 Ca -0.06 1.34 0.00 0.00 0.00 0.00 0.00 61.98 63.26 1a6x s VAL 88 Cb -0.07 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1a6x s VAL 88 CO -0.06 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.74 1a6x n GLY 89 N 0.55 -0.32 3.36 4.51 0.00 -0.52 -4.73 105.19 108.04 1a6x n GLY 89 Ca 0.04 -0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.87 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 1.01 -0.01 2.61 2.01 -0.28 -0.57 115.64 120.41 1a6x s THR 90 Ca 0.00 -2.02 0.00 0.00 0.31 0.00 0.00 61.69 59.98 1a6x s THR 90 Cb 0.00 -2.49 0.00 0.00 0.01 0.00 0.00 72.50 70.02 1a6x s THR 90 CO 0.00 -0.20 -0.01 0.12 -0.69 0.00 0.00 174.62 173.84 1a6x s PHE 91 N -3.43 0.14 0.18 4.92 2.19 -0.00 -0.29 117.98 121.68 1a6x s PHE 91 Ca 0.32 -0.01 0.05 0.00 0.33 0.00 0.00 56.93 57.61 1a6x s PHE 91 Cb 0.07 -0.13 -0.05 0.00 -1.31 0.00 0.00 43.02 41.60 1a6x s PHE 91 CO 0.11 -0.02 -0.08 0.71 1.83 0.00 0.00 175.22 177.76 1a6x s TYR 92 N 0.16 1.41 -0.35 10.12 2.02 0.49 -0.02 117.35 131.18 1a6x s TYR 92 Ca -0.01 -0.77 0.12 0.00 -0.37 0.00 0.00 57.07 56.04 1a6x s TYR 92 Cb -0.03 -0.73 -0.15 0.00 -0.40 0.00 0.00 41.96 40.64 1a6x s TYR 92 CO -0.00 0.10 0.41 0.54 -1.57 0.00 0.00 175.55 175.03 1a6x n ARG 93 N -0.28 2.04 -4.17 -0.62 5.12 -1.26 -1.45 116.66 116.04 1a6x n ARG 93 Ca -0.09 -0.04 -0.14 0.00 -1.93 0.00 0.00 57.85 55.65 1a6x n ARG 93 Cb 0.61 -1.15 -0.11 0.00 -1.16 0.00 0.00 32.46 30.66 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 -2.40 0.87 0.21 0.55 -4.23 -1.26 -1.34 115.64 108.05 1a6x s THR 94 Ca 0.01 -1.63 0.10 0.00 -1.18 0.00 0.00 61.69 58.99 1a6x s THR 94 Cb 0.09 -1.34 -0.08 0.00 1.34 0.00 0.00 72.50 72.51 1a6x s THR 94 CO 0.50 -0.58 1.50 1.55 -0.54 0.00 0.00 174.62 177.05 1a6x h PRO 95 N 3.57 0.00 -4.64 3.99 0.13 -1.91 -3.47 132.00 129.66 1a6x h PRO 95 Ca -0.37 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.37 1a6x h PRO 95 Cb 1.19 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.20 1a6x h PRO 95 CO 0.53 0.74 -0.42 0.45 -0.23 0.00 0.00 178.00 179.07 1a6x s SER 96 N -6.79 1.30 -0.01 1.44 0.15 -1.26 -5.06 113.70 103.46 1a6x s SER 96 Ca -0.00 -1.64 -0.22 0.00 0.70 0.00 0.00 55.95 54.79 1a6x s SER 96 Cb 0.12 0.57 -0.22 0.00 -1.71 0.00 0.00 66.02 64.77 1a6x s SER 96 CO 0.78 -1.11 1.11 1.55 1.20 0.00 0.00 173.24 176.77 1a6x h PRO 97 N 2.18 0.31 -1.71 5.44 0.13 -1.99 -3.28 132.00 133.09 1a6x h PRO 97 Ca -0.27 -0.30 -0.73 0.00 -0.87 0.00 0.00 66.00 63.83 1a6x h PRO 97 Cb 1.24 0.08 -0.27 0.00 0.13 0.00 0.00 31.00 32.17 1a6x h PRO 97 CO 0.39 0.98 0.98 -0.40 -0.23 0.00 0.00 178.00 179.72 1a6x n ASP 98 N -4.38 7.53 -4.33 1.44 5.75 -1.26 -4.93 116.55 116.38 1a6x n ASP 98 Ca -0.09 -3.79 -0.17 0.00 -0.01 0.00 0.00 54.79 50.72 1a6x n ASP 98 Cb 0.56 -1.05 -0.10 0.00 -1.03 0.00 0.00 41.12 39.50 1a6x n ASP 98 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1a6x s ALA 99 N -3.88 1.89 0.86 2.12 0.00 -1.24 -5.14 121.76 116.36 1a6x s ALA 99 Ca 0.56 -1.64 -0.12 0.00 0.00 0.00 0.00 51.96 50.76 1a6x s ALA 99 Cb 0.45 0.00 0.11 0.00 0.00 0.00 0.00 23.12 23.69 1a6x s ALA 99 CO -0.29 -0.01 1.09 0.15 0.00 0.00 0.00 175.76 176.71 1a6x s LYS 100 N -3.69 1.55 0.02 0.00 -0.14 -1.26 -4.86 119.74 111.37 1a6x s LYS 100 Ca 0.22 0.74 -0.26 0.00 -1.36 0.00 0.00 55.97 55.32 1a6x s LYS 100 Cb 0.01 -1.85 -0.05 0.00 -1.68 0.00 0.00 37.83 34.26 1a6x s LYS 100 CO 0.06 -2.02 0.79 0.00 -0.76 0.00 0.00 175.35 173.42 1a6x s ALA 101 N -3.02 3.33 0.28 5.17 0.00 -1.26 -4.45 121.76 121.81 1a6x s ALA 101 Ca 0.62 0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.90 1a6x s ALA 101 Cb -0.17 -3.05 0.57 0.00 0.00 0.00 0.00 23.12 20.48 1a6x s ALA 101 CO 0.56 -0.01 1.82 0.74 0.00 0.00 0.00 175.76 178.87 1a6x h PHE 102 N 5.99 1.10 -2.96 0.00 0.04 -1.55 -3.36 116.94 116.19 1a6x h PHE 102 Ca -0.43 0.03 -0.52 0.00 2.80 0.00 0.00 57.97 59.85 1a6x h PHE 102 Cb 1.21 -0.34 -0.40 0.00 2.20 0.00 0.00 35.95 38.61 1a6x h PHE 102 CO 0.65 0.39 -0.77 -1.50 -0.60 0.00 0.00 178.31 176.49 1a6x s ILE 103 N -5.95 0.15 -0.28 -0.55 -1.16 -1.26 -4.88 121.20 107.27 1a6x s ILE 103 Ca -0.12 -0.71 -0.27 0.00 -0.51 0.00 0.00 60.65 59.04 1a6x s ILE 103 Cb 0.23 -1.01 0.01 0.00 0.61 0.00 0.00 42.46 42.29 1a6x s ILE 103 CO 0.80 -0.56 0.94 -1.83 -2.81 0.00 0.00 174.94 171.48 1a6x s GLU 104 N 2.00 4.11 -0.49 3.50 -1.05 -1.26 -4.93 118.70 120.58 1a6x s GLU 104 Ca 0.06 0.99 -0.46 0.00 -0.15 0.00 0.00 54.97 55.41 1a6x s GLU 104 Cb -0.16 -3.69 -0.19 0.00 -0.44 0.00 0.00 34.13 29.64 1a6x s GLU 104 CO -0.26 -0.70 1.80 0.28 0.95 0.00 0.00 175.26 177.33 1a6x n VAL 105 N 5.53 0.01 0.00 1.83 0.31 -1.26 -1.08 118.33 123.67 1a6x n VAL 105 Ca 0.09 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 1a6x n VAL 105 Cb 0.47 -0.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.87 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 5.25 1.21 3.70 2.92 0.00 -1.26 -5.12 105.19 111.89 1a6x n GLY 106 Ca 0.39 0.00 -0.27 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 -0.18 2.11 0.50 1.61 0.74 -0.24 -5.01 119.66 119.20 1a6x s GLN 107 Ca 0.00 -2.02 0.04 0.00 0.05 0.00 0.00 55.36 53.43 1a6x s GLN 107 Cb 0.00 -1.80 -0.00 0.00 1.10 0.00 0.00 33.01 32.31 1a6x s GLN 107 CO 0.00 -0.13 0.17 0.15 -0.55 0.00 0.00 175.29 174.92 1a6x s LYS 108 N -3.83 2.21 -0.06 1.67 1.02 -1.26 -2.72 119.74 116.76 1a6x s LYS 108 Ca 0.35 -2.18 -0.16 0.00 0.02 0.00 0.00 55.97 54.00 1a6x s LYS 108 Cb 0.06 -1.80 0.03 0.00 -0.52 0.00 0.00 37.83 35.61 1a6x s LYS 108 CO 0.19 -0.40 0.37 0.14 -0.92 0.00 0.00 175.35 174.73 1a6x s VAL 109 N -2.79 0.03 0.07 3.17 -7.23 0.10 -4.99 120.40 108.76 1a6x s VAL 109 Ca 0.22 -0.28 0.08 0.00 -1.81 0.00 0.00 61.98 60.20 1a6x s VAL 109 Cb 0.01 -0.63 -0.03 0.00 0.56 0.00 0.00 36.38 36.29 1a6x s VAL 109 CO 0.13 -0.15 -0.23 0.54 -0.31 0.00 0.00 175.10 175.08 1a6x s ASN 110 N -0.81 2.72 -0.56 4.85 4.22 -1.26 -0.66 114.94 123.44 1a6x s ASN 110 Ca -0.09 -0.60 -0.42 0.00 -2.14 0.00 0.00 52.86 49.61 1a6x s ASN 110 Cb -0.04 -0.21 -0.19 0.00 1.28 0.00 0.00 41.25 42.09 1a6x s ASN 110 CO 0.04 0.16 2.21 0.52 -2.04 0.00 0.00 177.10 177.98 1a6x n VAL 111 N 1.54 0.00 0.00 3.54 0.31 -1.26 0.24 118.33 122.70 1a6x n VAL 111 Ca -0.18 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1a6x n VAL 111 Cb 0.53 -0.52 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 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 7.37 0.99 3.74 2.92 0.00 -0.57 -5.00 105.19 114.65 1a6x n GLY 112 Ca 0.56 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.63 5.92 0.50 1.61 1.11 0.14 -4.84 116.67 120.48 1a6x s ASP 113 Ca 0.00 0.25 -0.23 0.00 0.18 0.00 0.00 52.55 52.75 1a6x s ASP 113 Cb 0.00 -1.94 -0.07 0.00 1.07 0.00 0.00 42.92 41.99 1a6x s ASP 113 CO 0.00 0.29 1.30 0.41 1.18 0.00 0.00 175.17 178.35 1a6x n THR 114 N 2.76 3.26 -0.04 -1.27 -1.04 -1.26 0.24 114.28 116.92 1a6x n THR 114 Ca -0.18 -0.50 -0.05 0.00 -2.04 0.00 0.00 64.05 61.28 1a6x n THR 114 Cb 0.53 -1.60 -0.05 0.00 -1.82 0.00 0.00 70.33 67.39 1a6x n THR 114 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1a6x n LEU 115 N -0.46 1.25 0.00 -4.42 4.77 0.14 -4.70 117.00 113.57 1a6x n LEU 115 Ca 0.09 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1a6x n LEU 115 Cb 0.43 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1a6x n LEU 115 CO 0.56 0.38 0.00 0.00 -1.33 0.00 0.00 177.39 176.99 1a6x s ILE 117 N -2.68 1.90 -0.07 0.00 1.01 -0.53 -0.27 121.20 120.55 1a6x s ILE 117 Ca 0.00 -2.17 -0.03 0.00 0.00 0.00 0.00 60.65 58.45 1a6x s ILE 117 Cb 0.00 -2.04 0.04 0.00 0.01 0.00 0.00 42.46 40.47 1a6x s ILE 117 CO 0.00 -0.49 0.15 -0.69 0.00 0.00 0.00 174.94 173.91 1a6x s VAL 118 N -2.65 -0.15 -0.08 2.92 1.01 0.14 -0.38 120.40 121.21 1a6x s VAL 118 Ca 0.22 0.27 -0.26 0.00 0.00 0.00 0.00 61.98 62.21 1a6x s VAL 118 Cb -0.03 -0.26 -0.03 0.00 0.00 0.00 0.00 36.38 36.06 1a6x s VAL 118 CO 0.08 0.11 0.83 -0.70 0.00 0.00 0.00 175.10 175.43 1a6x s GLU 119 N 1.71 4.43 0.05 2.72 2.12 0.60 -0.46 118.70 129.86 1a6x s GLU 119 Ca -0.03 1.10 -0.28 0.00 0.36 0.00 0.00 54.97 56.12 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 -0.06 -0.10 1.06 0.00 -0.54 0.00 0.00 175.26 175.63 1a6x s ALA 120 N 1.31 -1.88 -1.64 6.30 0.00 -0.53 -1.13 121.76 124.17 1a6x s ALA 120 Ca 0.42 0.56 -0.10 0.00 0.00 0.00 0.00 51.96 52.85 1a6x s ALA 120 Cb -0.18 0.46 0.09 0.00 0.00 0.00 0.00 23.12 23.49 1a6x s ALA 120 CO 0.19 -0.95 0.37 0.00 0.00 0.00 0.00 175.76 175.37 1a6x n MET 121 N -0.41 -1.67 -4.19 0.00 0.00 -1.26 0.30 117.12 109.89 1a6x n MET 121 Ca -0.07 0.21 -0.32 0.00 0.00 0.00 0.00 57.70 57.52 1a6x n MET 121 Cb 0.61 -4.31 -0.06 0.00 0.00 0.00 0.00 33.22 29.46 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 -4.38 -1.37 -3.62 3.17 3.00 -1.26 -4.89 118.16 108.81 1a6x n LYS 122 Ca -0.14 0.17 -0.04 0.00 -0.00 0.00 0.00 58.31 58.30 1a6x n LYS 122 Cb 0.59 -3.66 -0.03 0.00 0.00 0.00 0.00 35.03 31.93 1a6x n LYS 122 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.40 178.81 1a6x s MET 123 N -7.17 0.22 0.22 1.64 1.75 0.15 -5.15 119.30 110.95 1a6x s MET 123 Ca 0.08 -0.01 -0.30 0.00 -1.25 0.00 0.00 55.69 54.21 1a6x s MET 123 Cb -0.04 0.10 -0.08 0.00 2.84 0.00 0.00 34.83 37.64 1a6x s MET 123 CO 0.97 -0.08 1.00 0.00 -0.65 0.00 0.00 175.02 176.25 1a6x s MET 124 N -1.61 4.75 -0.24 4.11 0.23 -1.26 -1.46 119.30 123.81 1a6x s MET 124 Ca 0.08 1.58 -0.01 0.00 -1.03 0.00 0.00 55.69 56.31 1a6x s MET 124 Cb -0.01 -3.28 0.07 0.00 -1.53 0.00 0.00 34.83 30.08 1a6x s MET 124 CO -0.05 0.35 0.02 -0.80 -2.03 0.00 0.00 175.02 172.51 1a6x s ASN 125 N -0.78 3.61 0.38 -1.18 0.01 0.39 -4.94 114.94 112.43 1a6x s ASN 125 Ca 0.44 -1.22 -0.24 0.00 -0.71 0.00 0.00 52.86 51.13 1a6x s ASN 125 Cb -0.27 -0.91 -0.10 0.00 0.41 0.00 0.00 41.25 40.38 1a6x s ASN 125 CO 0.34 -0.31 0.96 -1.58 -1.51 0.00 0.00 177.10 175.00 1a6x s GLN 126 N 1.59 4.37 -0.27 -0.60 0.74 -1.26 0.23 119.66 124.46 1a6x s GLN 126 Ca 0.01 1.27 -0.06 0.00 0.05 0.00 0.00 55.36 56.63 1a6x s GLN 126 Cb -0.18 -2.50 0.00 0.00 1.10 0.00 0.00 33.01 31.43 1a6x s GLN 126 CO -0.12 0.08 0.05 0.42 -0.55 0.00 0.00 175.29 175.17 1a6x s ILE 127 N -1.85 3.84 -0.35 -2.34 1.01 0.63 -4.92 121.20 117.22 1a6x s ILE 127 Ca 0.56 -0.59 -0.17 0.00 0.00 0.00 0.00 60.65 60.45 1a6x s ILE 127 Cb -0.15 -2.91 -0.01 0.00 0.01 0.00 0.00 42.46 39.40 1a6x s ILE 127 CO 0.20 0.19 0.43 -0.70 0.00 0.00 0.00 174.94 175.06 1a6x s GLU 128 N 1.50 3.54 0.06 2.79 -6.30 -1.26 0.28 118.70 119.32 1a6x s GLU 128 Ca 0.04 -0.35 -0.36 0.00 -2.50 0.00 0.00 54.97 51.80 1a6x s GLU 128 Cb -0.16 -3.82 -0.19 0.00 0.00 0.00 0.00 34.13 29.96 1a6x s GLU 128 CO 0.01 -0.61 0.92 0.00 0.02 0.00 0.00 175.26 175.61 1a6x n ALA 129 N 5.55 -3.31 -0.47 6.30 0.00 0.14 -4.72 120.51 124.00 1a6x n ALA 129 Ca -0.07 0.55 0.05 0.00 0.00 0.00 0.00 53.44 53.97 1a6x n ALA 129 Cb 0.49 -1.73 0.09 0.00 0.00 0.00 0.00 19.45 18.30 1a6x n ALA 129 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1a6x n ASP 130 N 1.67 2.44 -3.10 0.00 8.00 -1.26 -1.51 116.55 122.80 1a6x n ASP 130 Ca 0.19 -2.46 0.02 0.00 0.71 0.00 0.00 54.79 53.26 1a6x n ASP 130 Cb 0.13 -0.23 -0.00 0.00 -0.02 0.00 0.00 41.12 41.00 1a6x n ASP 130 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1a6x s LYS 131 N -1.79 0.56 0.17 -1.24 2.36 -1.26 -4.90 119.74 113.63 1a6x s LYS 131 Ca 0.18 -0.00 -0.28 0.00 -2.55 0.00 0.00 55.97 53.31 1a6x s LYS 131 Cb 0.14 0.11 -0.17 0.00 -1.05 0.00 0.00 37.83 36.87 1a6x s LYS 131 CO 0.04 -0.87 0.57 -1.13 1.55 0.00 0.00 175.35 175.51 1a6x n SER 132 N 4.55 -1.03 -1.56 1.43 3.41 -1.26 -4.81 113.62 114.35 1a6x n SER 132 Ca 0.08 1.08 -0.00 0.00 -0.26 0.00 0.00 58.87 59.77 1a6x n SER 132 Cb 0.58 -0.90 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 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 1.84 1.03 3.21 5.00 0.00 0.17 -4.95 105.19 111.49 1a6x n GLY 133 Ca 0.17 -0.96 -0.21 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.39 1.33 1.00 2.61 2.01 -1.26 -0.72 115.64 118.21 1a6x s THR 134 Ca 0.06 -1.34 -0.18 0.00 0.31 0.00 0.00 61.69 60.54 1a6x s THR 134 Cb -0.01 -1.24 -0.13 0.00 0.01 0.00 0.00 72.50 71.13 1a6x s THR 134 CO 0.01 -0.12 -0.76 0.55 -0.69 0.00 0.00 174.62 173.61 1a6x n VAL 135 N 1.32 0.00 0.00 3.82 3.14 -1.10 0.19 118.33 125.70 1a6x n VAL 135 Ca -0.20 -0.41 0.00 0.00 -2.96 0.00 0.00 64.34 60.77 1a6x n VAL 135 Cb 0.54 -0.07 0.00 0.00 -1.06 0.00 0.00 33.84 33.25 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 2.01 0.00 0.00 1.45 0.00 -0.09 -3.67 118.16 117.86 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 0.58 -0.08 0.00 0.00 0.00 0.00 0.00 35.03 35.53 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 -2.10 0.00 -2.65 3.14 0.00 0.44 -4.97 120.51 114.38 1a6x n ALA 137 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1a6x n ALA 137 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 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 -0.28 5.03 -0.06 0.00 1.09 -1.26 0.19 121.20 125.90 1a6x s ILE 138 Ca 0.00 -0.36 -0.16 0.00 -1.10 0.00 0.00 60.65 59.03 1a6x s ILE 138 Cb 0.00 -3.61 -0.30 0.00 -1.06 0.00 0.00 42.46 37.49 1a6x s ILE 138 CO 0.00 -0.03 0.71 -0.07 -0.10 0.00 0.00 174.94 175.46 1a6x h LEU 139 N 8.46 0.51-10.34 2.97 3.38 -1.23 -3.46 115.31 115.59 1a6x h LEU 139 Ca -0.31 -0.90 -0.51 0.00 0.09 0.00 0.00 57.88 56.25 1a6x h LEU 139 Cb 1.15 -0.17 0.07 0.00 0.09 0.00 0.00 40.66 41.80 1a6x h LEU 139 CO 0.64 1.62 0.40 0.54 0.09 0.00 0.00 178.44 181.72 1a6x s VAL 140 N -2.50 4.47 0.30 1.22 0.11 -0.21 -5.04 120.40 118.75 1a6x s VAL 140 Ca -0.16 0.84 0.09 0.00 -2.93 0.00 0.00 61.98 59.81 1a6x s VAL 140 Cb 0.04 -3.70 -0.04 0.00 -1.53 0.00 0.00 36.38 31.14 1a6x s VAL 140 CO 0.82 -1.01 0.04 -1.61 -3.33 0.00 0.00 175.10 170.01 1a6x s GLU 141 N -5.03 2.29 -0.90 1.54 2.02 -1.26 -4.96 118.70 112.39 1a6x s GLU 141 Ca 0.56 -1.51 -0.24 0.00 0.02 0.00 0.00 54.97 53.81 1a6x s GLU 141 Cb -0.12 -2.13 0.01 0.00 0.10 0.00 0.00 34.13 31.98 1a6x s GLU 141 CO 0.52 0.25 1.64 0.45 0.02 0.00 0.00 175.26 178.15 1a6x s SER 142 N -3.73 5.86 0.00 -0.19 0.15 -1.26 -1.93 113.70 112.59 1a6x s SER 142 Ca 0.34 -0.87 0.00 0.00 0.70 0.00 0.00 55.95 56.12 1a6x s SER 142 Cb -0.04 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 1a6x s SER 142 CO 0.21 -2.07 0.00 0.61 1.20 0.00 0.00 173.24 173.19 1a6x n GLY 143 N 6.56 1.24 3.82 9.45 0.00 0.97 -4.89 105.19 122.35 1a6x n GLY 143 Ca 0.30 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.05 4.17 0.68 1.61 -0.21 -0.82 -4.75 119.66 120.29 1a6x s GLN 144 Ca 0.00 1.10 -0.12 0.00 0.02 0.00 0.00 55.36 56.37 1a6x s GLN 144 Cb 0.00 -2.17 -0.00 0.00 1.00 0.00 0.00 33.01 31.84 1a6x s GLN 144 CO 0.00 -0.08 1.06 -1.25 -2.12 0.00 0.00 175.29 172.89 1a6x s PRO 145 N -3.33 3.02 0.06 2.91 0.04 -1.26 -0.82 135.00 135.61 1a6x s PRO 145 Ca 0.62 0.99 -0.00 0.00 0.04 0.00 0.00 61.00 62.64 1a6x s PRO 145 Cb -0.09 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 1a6x s PRO 145 CO 0.16 -1.04 -0.04 0.14 0.04 0.00 0.00 177.00 176.26 1a6x s VAL 146 N -2.96 0.33 0.22 -0.36 -7.23 0.26 -4.77 120.40 105.89 1a6x s VAL 146 Ca 0.59 -1.67 0.06 0.00 -1.81 0.00 0.00 61.98 59.15 1a6x s VAL 146 Cb -0.14 -1.32 -0.05 0.00 0.56 0.00 0.00 36.38 35.43 1a6x s VAL 146 CO 0.52 -0.86 -0.10 -1.61 -0.31 0.00 0.00 175.10 172.74 1a6x s GLU 147 N -3.41 1.34 0.19 4.82 2.02 -1.26 -1.43 118.70 120.97 1a6x s GLU 147 Ca 0.04 -1.63 -0.31 0.00 0.02 0.00 0.00 54.97 53.09 1a6x s GLU 147 Cb 0.04 -0.98 -0.10 0.00 0.10 0.00 0.00 34.13 33.19 1a6x s GLU 147 CO -0.07 0.09 1.53 0.12 0.02 0.00 0.00 175.26 176.95 1a6x s PHE 148 N -3.10 3.04 0.00 1.61 2.19 -1.26 -1.08 117.98 119.38 1a6x s PHE 148 Ca 0.24 0.75 0.00 0.00 0.33 0.00 0.00 56.93 58.25 1a6x s PHE 148 Cb 0.02 -3.90 0.00 0.00 -1.31 0.00 0.00 43.02 37.83 1a6x s PHE 148 CO 0.07 -3.19 0.00 -3.47 1.83 0.00 0.00 175.22 170.46 1a6x n ASP 149 N 3.44 0.00 -4.77 6.13 -0.08 -1.07 -5.00 116.55 115.19 1a6x n ASP 149 Ca 0.12 0.00 -0.39 0.00 -1.51 0.00 0.00 54.79 53.01 1a6x n ASP 149 Cb 0.39 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 -0.70 0.12 0.00 0.00 177.20 176.62 1a6x s GLU 150 N -0.12 4.62 0.56 -0.67 -6.30 -0.24 -4.84 118.70 111.71 1a6x s GLU 150 Ca 0.00 1.25 -0.17 0.00 -2.50 0.00 0.00 54.97 53.55 1a6x s GLU 150 Cb 0.00 -3.16 -0.05 0.00 0.00 0.00 0.00 34.13 30.92 1a6x s GLU 150 CO 0.00 0.49 1.05 -1.25 0.02 0.00 0.00 175.26 175.57 1a6x s PRO 151 N -1.38 3.48 0.00 4.30 0.04 -1.26 0.24 135.00 140.41 1a6x s PRO 151 Ca 0.40 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.66 1a6x s PRO 151 Cb -0.23 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1a6x s PRO 151 CO 0.27 -0.68 0.00 1.28 0.04 0.00 0.00 177.00 177.91 1a6x n LEU 152 N -1.75 0.00 -4.44 -3.56 4.77 0.26 -4.57 117.00 107.71 1a6x n LEU 152 Ca 0.09 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.74 1a6x n LEU 152 Cb 0.53 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.48 1a6x n LEU 152 CO 0.45 0.00 -0.48 -0.69 -1.33 0.00 0.00 177.39 175.35 1a6x s VAL 153 N 0.00 2.85 -0.28 4.08 1.01 -1.24 -0.64 120.40 126.19 1a6x s VAL 153 Ca 0.00 -0.80 -0.10 0.00 0.00 0.00 0.00 61.98 61.08 1a6x s VAL 153 Cb 0.00 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 1a6x s VAL 153 CO 0.00 0.59 0.14 -0.69 0.00 0.00 0.00 175.10 175.14 1a6x s VAL 154 N -0.66 4.84 0.29 2.92 1.01 0.49 0.06 120.40 129.35 1a6x s VAL 154 Ca 0.10 -0.07 0.07 0.00 0.00 0.00 0.00 61.98 62.08 1a6x s VAL 154 Cb -0.11 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 1a6x s VAL 154 CO 0.00 0.23 0.29 -0.63 0.00 0.00 0.00 175.10 175.00 1a6x s ILE 155 N 1.68 4.19 -2.77 2.22 -1.09 -0.07 -0.42 121.20 124.94 1a6x s ILE 155 Ca 0.06 -1.27 0.22 0.00 -2.23 0.00 0.00 60.65 57.43 1a6x s ILE 155 Cb -0.16 -3.39 0.18 0.00 -1.58 0.00 0.00 42.46 37.50 1a6x s ILE 155 CO 0.08 -0.26 1.20 -1.84 -1.23 0.00 0.00 174.94 172.89