#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 1.46 -1.51 2.12 0.28 -1.26 -5.04 120.64 116.69 1a6x n GLU 71 Ca 0.00 0.01 -0.34 0.00 -0.16 0.00 0.00 57.16 56.68 1a6x n GLU 71 Cb 0.00 -1.09 0.08 0.00 1.43 0.00 0.00 31.44 31.86 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 -2.09 2.21 -0.02 -1.84 0.00 -1.26 -4.96 121.76 113.80 1a6x s ALA 72 Ca -0.04 0.77 -0.22 0.00 0.00 0.00 0.00 51.96 52.46 1a6x s ALA 72 Cb 0.01 -3.42 -0.22 0.00 0.00 0.00 0.00 23.12 19.49 1a6x s ALA 72 CO 0.12 -1.72 1.10 -1.00 0.00 0.00 0.00 175.76 174.26 1a6x h PRO 73 N -0.24 0.27 -2.76 0.00 0.13 -2.07 -3.41 132.00 123.93 1a6x h PRO 73 Ca -0.47 -0.26 -0.60 0.00 -0.87 0.00 0.00 66.00 63.80 1a6x h PRO 73 Cb 1.28 0.07 -0.39 0.00 0.13 0.00 0.00 31.00 32.08 1a6x h PRO 73 CO 0.51 0.95 -0.80 0.00 -0.23 0.00 0.00 178.00 178.43 1a6x s ALA 74 N -3.32 1.67 0.08 -0.56 0.00 -1.26 -5.00 121.76 113.37 1a6x s ALA 74 Ca -0.15 -2.36 -0.31 0.00 0.00 0.00 0.00 51.96 49.14 1a6x s ALA 74 Cb 0.02 -1.75 -0.15 0.00 0.00 0.00 0.00 23.12 21.24 1a6x s ALA 74 CO 0.77 -2.07 1.49 0.00 0.00 0.00 0.00 175.76 175.94 1a6x h ALA 75 N 6.63 -1.07 0.00 0.00 0.00 -2.00 -3.47 119.26 119.35 1a6x h ALA 75 Ca 0.06 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1a6x h ALA 75 Cb 0.93 0.72 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1a6x h ALA 75 CO 0.40 -1.12 0.00 0.00 0.00 0.00 0.00 179.25 178.53 1a6x n ALA 76 N -2.78 0.00 -2.92 0.00 0.00 -1.26 -5.05 120.51 108.50 1a6x n ALA 76 Ca -0.10 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.22 1a6x n ALA 76 Cb 0.40 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.84 1a6x n ALA 76 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1a6x n GLU 77 N -3.05 0.63 -0.15 0.00 1.02 -1.26 -5.14 120.64 112.69 1a6x n GLU 77 Ca 0.00 -2.30 -0.05 0.00 -0.02 0.00 0.00 57.16 54.79 1a6x n GLU 77 Cb 0.00 -1.44 0.05 0.00 -0.02 0.00 0.00 31.44 30.03 1a6x n GLU 77 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1a6x n ILE 78 N 2.07 0.00 -2.83 -3.67 -6.64 -1.26 -4.58 119.36 102.44 1a6x n ILE 78 Ca 0.16 -0.06 -0.11 0.00 -1.77 0.00 0.00 62.75 60.97 1a6x n ILE 78 Cb 0.57 -0.78 0.05 0.00 -1.44 0.00 0.00 39.64 38.04 1a6x n ILE 78 CO 0.00 0.00 0.00 -1.20 -1.77 0.00 0.00 176.55 173.58 1a6x n SER 79 N -3.39 -5.56 -0.19 7.28 7.64 -1.26 -4.80 113.62 113.34 1a6x n SER 79 Ca 0.03 -0.54 0.00 0.00 1.01 0.00 0.00 58.87 59.37 1a6x n SER 79 Cb 0.11 -4.10 0.00 0.00 -1.01 0.00 0.00 64.21 59.20 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 -1.29 -0.00 3.84 0.23 0.00 -1.26 -5.03 105.19 101.67 1a6x n GLY 80 Ca -0.05 -0.86 -0.22 0.00 0.00 0.00 0.00 46.02 44.89 1a6x n GLY 80 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1a6x s HIS 81 N 0.00 2.71 -0.10 1.61 0.09 0.97 -4.95 115.29 115.62 1a6x s HIS 81 Ca 0.00 -0.49 -0.03 0.00 -0.00 0.00 0.00 55.06 54.53 1a6x s HIS 81 Cb 0.00 -2.08 0.05 0.00 -0.00 0.00 0.00 32.58 30.55 1a6x s HIS 81 CO 0.00 -0.02 0.10 0.42 -0.00 0.00 0.00 174.74 175.24 1a6x s ILE 82 N -2.48 -0.14 -0.31 0.60 -1.09 -1.26 -1.16 121.20 115.36 1a6x s ILE 82 Ca 0.46 0.18 -0.29 0.00 -2.23 0.00 0.00 60.65 58.77 1a6x s ILE 82 Cb -0.02 -0.35 0.01 0.00 -1.58 0.00 0.00 42.46 40.52 1a6x s ILE 82 CO 0.27 -0.01 1.11 -0.69 -1.23 0.00 0.00 174.94 174.39 1a6x s VAL 83 N 2.19 4.45 -0.20 2.92 1.01 0.23 -4.94 120.40 126.07 1a6x s VAL 83 Ca 0.04 1.67 -0.02 0.00 0.00 0.00 0.00 61.98 63.67 1a6x s VAL 83 Cb -0.14 -4.36 -0.00 0.00 0.00 0.00 0.00 36.38 31.88 1a6x s VAL 83 CO -0.06 -0.46 -0.09 -0.13 0.00 0.00 0.00 175.10 174.36 1a6x s ARG 84 N 3.71 3.31 -0.40 2.72 0.52 -1.26 0.18 118.95 127.73 1a6x s ARG 84 Ca 0.47 -0.67 -0.32 0.00 -0.52 0.00 0.00 55.73 54.69 1a6x s ARG 84 Cb -0.13 -2.86 -0.11 0.00 0.52 0.00 0.00 34.95 32.37 1a6x s ARG 84 CO 0.16 -0.12 2.27 0.43 0.02 0.00 0.00 175.30 178.06 1a6x n SER 85 N 4.53 2.17 0.00 0.23 7.64 0.14 -4.76 113.62 123.57 1a6x n SER 85 Ca -0.19 0.22 0.11 0.00 1.01 0.00 0.00 58.87 60.03 1a6x n SER 85 Cb 0.51 -1.33 0.67 0.00 -1.01 0.00 0.00 64.21 63.06 1a6x n SER 85 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1a6x n PRO 86 N 8.43 0.75 -3.68 1.43 -0.04 -1.26 -3.00 135.00 137.63 1a6x n PRO 86 Ca 0.41 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.78 1a6x n PRO 86 Cb 0.29 -1.47 -0.10 0.00 -0.04 0.00 0.00 33.50 32.18 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 0.44 0.69 0.54 -1.94 -1.26 -4.91 119.30 110.86 1a6x s MET 87 Ca 0.34 0.91 -0.17 0.00 -1.71 0.00 0.00 55.69 55.06 1a6x s MET 87 Cb 0.16 0.08 0.02 0.00 2.01 0.00 0.00 34.83 37.09 1a6x s MET 87 CO 0.26 -0.17 1.27 0.08 -0.01 0.00 0.00 175.02 176.45 1a6x s VAL 88 N 1.66 2.01 0.00 -6.03 1.01 -1.26 -4.67 120.40 113.11 1a6x s VAL 88 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1a6x s VAL 88 Cb -0.08 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.46 1a6x s VAL 88 CO -0.14 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.57 1a6x n GLY 89 N 0.80 -0.26 3.26 4.51 0.00 -0.45 -4.69 105.19 108.37 1a6x n GLY 89 Ca 0.15 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 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 0.11 -0.02 2.61 2.01 0.37 -0.40 115.64 120.31 1a6x s THR 90 Ca 0.00 -1.31 0.05 0.00 0.31 0.00 0.00 61.69 60.73 1a6x s THR 90 Cb 0.00 -1.60 -0.01 0.00 0.01 0.00 0.00 72.50 70.90 1a6x s THR 90 CO 0.00 -0.49 -0.16 0.12 -0.69 0.00 0.00 174.62 173.40 1a6x s PHE 91 N -3.92 1.55 0.04 4.92 2.19 -0.39 -0.24 117.98 122.12 1a6x s PHE 91 Ca 0.11 -0.35 0.03 0.00 0.33 0.00 0.00 56.93 57.05 1a6x s PHE 91 Cb 0.04 -1.02 -0.02 0.00 -1.31 0.00 0.00 43.02 40.71 1a6x s PHE 91 CO -0.05 -0.08 -0.09 0.71 1.83 0.00 0.00 175.22 177.53 1a6x s TYR 92 N -0.21 0.81 -0.35 10.12 2.02 -0.47 0.61 117.35 129.88 1a6x s TYR 92 Ca 0.02 -0.42 0.22 0.00 -0.37 0.00 0.00 57.07 56.53 1a6x s TYR 92 Cb -0.08 -0.48 -0.08 0.00 -0.40 0.00 0.00 41.96 40.91 1a6x s TYR 92 CO 0.00 -0.03 0.87 0.54 -1.57 0.00 0.00 175.55 175.36 1a6x n ARG 93 N 1.68 0.47 -4.11 -0.62 5.12 -1.26 -0.41 116.66 117.53 1a6x n ARG 93 Ca -0.21 -0.02 -0.11 0.00 -1.93 0.00 0.00 57.85 55.58 1a6x n ARG 93 Cb 0.55 -1.64 -0.11 0.00 -1.16 0.00 0.00 32.46 30.11 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 -3.33 0.56 -0.93 0.55 -4.23 -1.26 -1.41 115.64 105.59 1a6x s THR 94 Ca -0.01 -1.53 0.22 0.00 -1.18 0.00 0.00 61.69 59.19 1a6x s THR 94 Cb 0.13 -1.17 0.20 0.00 1.34 0.00 0.00 72.50 73.00 1a6x s THR 94 CO 0.83 -0.67 1.71 -0.81 -0.54 0.00 0.00 174.62 175.14 1a6x n PRO 95 N 0.65 0.04 -3.82 3.99 -0.04 -1.26 -4.87 135.00 129.69 1a6x n PRO 95 Ca -0.17 0.16 -0.05 0.00 -0.04 0.00 0.00 63.50 63.40 1a6x n PRO 95 Cb 0.58 -1.56 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 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 -3.26 -0.11 0.15 3.54 0.01 -1.26 -5.00 113.70 107.76 1a6x s SER 96 Ca 0.10 -0.69 -0.02 0.00 1.31 0.00 0.00 55.95 56.65 1a6x s SER 96 Cb 0.14 0.63 -0.02 0.00 0.21 0.00 0.00 66.02 66.98 1a6x s SER 96 CO 0.42 -1.22 1.36 1.55 0.41 0.00 0.00 173.24 175.76 1a6x h PRO 97 N 2.00 0.38 -0.72 12.44 0.13 -1.96 -3.17 132.00 141.09 1a6x h PRO 97 Ca -0.26 -0.37 -0.44 0.00 -0.87 0.00 0.00 66.00 64.07 1a6x h PRO 97 Cb 1.24 0.09 -0.25 0.00 0.13 0.00 0.00 31.00 32.21 1a6x h PRO 97 CO 0.31 1.03 0.20 -0.25 -0.23 0.00 0.00 178.00 179.06 1a6x n ASP 98 N -3.77 4.43 -4.44 1.44 9.92 -1.26 -4.97 116.55 117.90 1a6x n ASP 98 Ca -0.05 -3.75 -0.28 0.00 -0.53 0.00 0.00 54.79 50.18 1a6x n ASP 98 Cb 0.78 -0.72 -0.12 0.00 -0.64 0.00 0.00 41.12 40.42 1a6x n ASP 98 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1a6x s ALA 99 N -3.46 2.56 1.22 2.24 0.00 -1.20 -5.13 121.76 117.98 1a6x s ALA 99 Ca 0.54 -1.55 -0.18 0.00 0.00 0.00 0.00 51.96 50.76 1a6x s ALA 99 Cb 0.45 -0.42 0.27 0.00 0.00 0.00 0.00 23.12 23.43 1a6x s ALA 99 CO 0.03 0.48 0.61 1.63 0.00 0.00 0.00 175.76 178.51 1a6x n LYS 100 N 0.45 -3.49 -4.42 0.00 5.02 -1.26 -4.74 118.16 109.72 1a6x n LYS 100 Ca -0.14 -1.04 -0.34 0.00 -2.02 0.00 0.00 58.31 54.77 1a6x n LYS 100 Cb 0.55 -1.69 -0.11 0.00 -0.02 0.00 0.00 35.03 33.76 1a6x n LYS 100 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1a6x s ALA 101 N -2.09 3.10 0.28 7.82 0.00 -1.26 -4.34 121.76 125.27 1a6x s ALA 101 Ca 0.50 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.64 1a6x s ALA 101 Cb -0.09 -1.49 0.41 0.00 0.00 0.00 0.00 23.12 21.95 1a6x s ALA 101 CO 0.43 0.39 1.77 0.74 0.00 0.00 0.00 175.76 179.10 1a6x h PHE 102 N 5.96 0.70 -2.91 0.00 0.04 -1.55 -3.39 116.94 115.78 1a6x h PHE 102 Ca -0.41 -0.10 -0.49 0.00 2.80 0.00 0.00 57.97 59.76 1a6x h PHE 102 Cb 1.19 -0.19 -0.40 0.00 2.20 0.00 0.00 35.95 38.74 1a6x h PHE 102 CO 0.57 0.71 -0.76 -1.50 -0.60 0.00 0.00 178.31 176.72 1a6x s ILE 103 N -4.84 -0.08 -0.31 -0.55 2.07 -1.26 -4.66 121.20 111.57 1a6x s ILE 103 Ca -0.08 -0.47 -0.16 0.00 -1.41 0.00 0.00 60.65 58.53 1a6x s ILE 103 Cb 0.15 -0.78 -0.02 0.00 0.13 0.00 0.00 42.46 41.93 1a6x s ILE 103 CO 0.80 -0.51 0.44 -1.61 -1.91 0.00 0.00 174.94 172.14 1a6x s GLU 104 N 2.12 3.82 -0.49 3.50 2.02 -1.26 -4.98 118.70 123.42 1a6x s GLU 104 Ca 0.06 -0.06 -0.46 0.00 0.02 0.00 0.00 54.97 54.53 1a6x s GLU 104 Cb -0.16 -3.73 -0.19 0.00 0.10 0.00 0.00 34.13 30.15 1a6x s GLU 104 CO -0.23 -0.45 1.80 0.28 0.02 0.00 0.00 175.26 176.68 1a6x n VAL 105 N 5.24 0.01 0.00 2.63 0.31 -1.26 -1.44 118.33 123.82 1a6x n VAL 105 Ca -0.07 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 1a6x n VAL 105 Cb 0.50 -0.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 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 5.27 1.57 3.30 2.92 0.00 -1.26 -5.12 105.19 111.87 1a6x n GLY 106 Ca 0.40 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.09 1.20 0.26 1.61 0.74 -0.52 -5.03 119.66 117.84 1a6x s GLN 107 Ca 0.00 -1.53 0.08 0.00 0.05 0.00 0.00 55.36 53.96 1a6x s GLN 107 Cb 0.00 -0.87 -0.04 0.00 1.10 0.00 0.00 33.01 33.20 1a6x s GLN 107 CO 0.00 0.12 0.14 -1.59 -0.55 0.00 0.00 175.29 173.41 1a6x s LYS 108 N -3.70 2.71 0.01 1.67 -2.85 -1.26 -2.65 119.74 113.67 1a6x s LYS 108 Ca 0.20 -1.19 0.00 0.00 -1.00 0.00 0.00 55.97 53.98 1a6x s LYS 108 Cb 0.01 -2.42 -0.01 0.00 -2.06 0.00 0.00 37.83 33.35 1a6x s LYS 108 CO 0.04 0.37 -0.03 0.14 0.10 0.00 0.00 175.35 175.97 1a6x s VAL 109 N -2.21 0.16 0.05 1.79 -7.23 0.27 -5.00 120.40 108.22 1a6x s VAL 109 Ca 0.33 -0.47 0.08 0.00 -1.81 0.00 0.00 61.98 60.11 1a6x s VAL 109 Cb -0.07 -0.21 -0.03 0.00 0.56 0.00 0.00 36.38 36.63 1a6x s VAL 109 CO 0.23 -0.20 -0.21 0.20 -0.31 0.00 0.00 175.10 174.81 1a6x s ASN 110 N -0.70 3.57 -0.56 4.85 -0.87 -1.26 -0.65 114.94 119.32 1a6x s ASN 110 Ca -0.06 -0.49 -0.42 0.00 -1.57 0.00 0.00 52.86 50.31 1a6x s ASN 110 Cb -0.05 -0.49 -0.19 0.00 -0.02 0.00 0.00 41.25 40.50 1a6x s ASN 110 CO -0.00 0.25 2.21 0.52 -2.57 0.00 0.00 177.10 177.51 1a6x n VAL 111 N 1.60 0.00 0.00 1.60 0.31 -1.26 0.10 118.33 120.68 1a6x n VAL 111 Ca -0.16 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1a6x n VAL 111 Cb 0.52 -0.50 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 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 1.54 3.81 2.92 0.00 -0.81 -4.94 105.19 115.07 1a6x n GLY 112 Ca 0.56 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.90 6.90 0.44 1.61 1.01 0.29 -4.79 116.67 120.23 1a6x s ASP 113 Ca 0.00 1.07 -0.25 0.00 0.71 0.00 0.00 52.55 54.07 1a6x s ASP 113 Cb 0.00 -2.30 -0.08 0.00 1.01 0.00 0.00 42.92 41.54 1a6x s ASP 113 CO 0.00 0.26 1.40 -0.89 0.21 0.00 0.00 175.17 176.15 1a6x s THR 114 N -0.84 2.19 -0.08 -1.27 2.01 -1.26 -0.39 115.64 115.99 1a6x s THR 114 Ca 0.26 0.17 0.05 0.00 0.31 0.00 0.00 61.69 62.49 1a6x s THR 114 Cb -0.18 -3.10 -0.08 0.00 0.01 0.00 0.00 72.50 69.15 1a6x s THR 114 CO 0.15 0.02 -0.01 0.00 -0.69 0.00 0.00 174.62 174.10 1a6x n LEU 115 N -0.12 0.86 0.00 4.42 -0.00 0.62 -4.65 117.00 118.14 1a6x n LEU 115 Ca 0.05 -0.02 0.00 0.00 -0.00 0.00 0.00 56.01 56.04 1a6x n LEU 115 Cb 0.42 0.04 0.00 0.00 -0.00 0.00 0.00 43.42 43.88 1a6x n LEU 115 CO 0.58 0.32 0.00 0.00 -0.00 0.00 0.00 177.39 178.30 1a6x s ILE 117 N -1.78 0.45 -0.11 0.00 -1.09 0.45 -1.49 121.20 117.63 1a6x s ILE 117 Ca 0.00 -1.88 -0.04 0.00 -2.23 0.00 0.00 60.65 56.51 1a6x s ILE 117 Cb 0.00 -1.64 0.06 0.00 -1.58 0.00 0.00 42.46 39.29 1a6x s ILE 117 CO 0.00 -0.90 0.16 -0.69 -1.23 0.00 0.00 174.94 172.28 1a6x s VAL 118 N -3.78 -0.24 -0.13 2.92 1.01 0.13 -1.36 120.40 118.95 1a6x s VAL 118 Ca 0.11 0.21 -0.24 0.00 0.00 0.00 0.00 61.98 62.06 1a6x s VAL 118 Cb 0.07 -0.39 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 1a6x s VAL 118 CO -0.07 0.03 0.73 -0.70 0.00 0.00 0.00 175.10 175.10 1a6x s GLU 119 N 2.27 4.33 0.06 2.72 2.12 0.66 0.24 118.70 131.11 1a6x s GLU 119 Ca 0.04 0.87 -0.27 0.00 0.36 0.00 0.00 54.97 55.97 1a6x s GLU 119 Cb -0.13 -3.52 0.09 0.00 0.26 0.00 0.00 34.13 30.82 1a6x s GLU 119 CO -0.07 -0.15 0.85 0.00 -0.54 0.00 0.00 175.26 175.35 1a6x s ALA 120 N 1.55 -1.73 -1.17 6.30 0.00 -0.54 -0.48 121.76 125.68 1a6x s ALA 120 Ca 0.36 0.70 -0.08 0.00 0.00 0.00 0.00 51.96 52.94 1a6x s ALA 120 Cb -0.17 0.55 0.07 0.00 0.00 0.00 0.00 23.12 23.57 1a6x s ALA 120 CO 0.14 -0.79 0.39 -1.33 0.00 0.00 0.00 175.76 174.17 1a6x n MET 121 N -0.32 -3.03 -3.80 0.00 2.81 -1.26 0.14 117.12 111.65 1a6x n MET 121 Ca -0.09 0.42 -0.25 0.00 -1.81 0.00 0.00 57.70 55.97 1a6x n MET 121 Cb 0.62 -5.09 0.02 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 -3.51 -4.87 -3.53 0.03 3.00 -1.26 -4.96 118.16 103.06 1a6x n LYS 122 Ca -0.02 0.58 -0.13 0.00 -0.00 0.00 0.00 58.31 58.75 1a6x n LYS 122 Cb 0.54 -5.19 -0.04 0.00 0.00 0.00 0.00 35.03 30.34 1a6x n LYS 122 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 1a6x s MET 123 N -6.24 0.86 -0.03 1.64 -1.94 0.12 -5.14 119.30 108.56 1a6x s MET 123 Ca 0.20 0.03 -0.30 0.00 -1.71 0.00 0.00 55.69 53.91 1a6x s MET 123 Cb -0.10 0.40 -0.03 0.00 2.01 0.00 0.00 34.83 37.11 1a6x s MET 123 CO 0.83 -0.30 1.03 1.41 -0.01 0.00 0.00 175.02 177.98 1a6x s MET 124 N -1.81 4.49 -0.42 2.03 1.75 -1.26 -1.47 119.30 122.61 1a6x s MET 124 Ca -0.03 1.47 0.03 0.00 -1.25 0.00 0.00 55.69 55.92 1a6x s MET 124 Cb -0.00 -3.48 0.12 0.00 2.84 0.00 0.00 34.83 34.30 1a6x s MET 124 CO 0.01 -0.19 0.17 -0.80 -0.65 0.00 0.00 175.02 173.56 1a6x s ASN 125 N 1.08 4.37 0.53 1.11 0.01 0.14 -4.97 114.94 117.21 1a6x s ASN 125 Ca 0.52 -2.53 -0.21 0.00 -0.71 0.00 0.00 52.86 49.93 1a6x s ASN 125 Cb -0.21 -1.49 -0.05 0.00 0.41 0.00 0.00 41.25 39.90 1a6x s ASN 125 CO 0.25 -0.31 1.24 -1.10 -1.51 0.00 0.00 177.10 175.67 1a6x s GLN 126 N 0.39 3.31 -0.27 -0.60 -0.21 -1.26 0.23 119.66 121.24 1a6x s GLN 126 Ca 0.14 1.94 -0.06 0.00 0.02 0.00 0.00 55.36 57.41 1a6x s GLN 126 Cb -0.22 -2.20 0.00 0.00 1.00 0.00 0.00 33.01 31.59 1a6x s GLN 126 CO -0.05 -0.97 0.04 0.42 -2.12 0.00 0.00 175.29 172.61 1a6x s ILE 127 N -1.48 3.78 -0.21 1.08 -1.09 -0.55 -4.84 121.20 117.89 1a6x s ILE 127 Ca 0.71 -0.65 -0.14 0.00 -2.23 0.00 0.00 60.65 58.34 1a6x s ILE 127 Cb -0.33 -2.89 -0.04 0.00 -1.58 0.00 0.00 42.46 37.61 1a6x s ILE 127 CO 0.38 0.17 0.30 -0.70 -1.23 0.00 0.00 174.94 173.86 1a6x s GLU 128 N 1.49 4.15 0.18 2.79 2.12 -1.26 -0.27 118.70 127.89 1a6x s GLU 128 Ca 0.03 0.02 -0.33 0.00 0.36 0.00 0.00 54.97 55.05 1a6x s GLU 128 Cb -0.16 -3.52 -0.15 0.00 0.26 0.00 0.00 34.13 30.56 1a6x s GLU 128 CO 0.01 0.03 1.34 0.00 -0.54 0.00 0.00 175.26 176.11 1a6x n ALA 129 N 4.29 0.17 -0.51 6.30 0.00 0.47 -4.82 120.51 126.41 1a6x n ALA 129 Ca -0.11 0.45 0.06 0.00 0.00 0.00 0.00 53.44 53.84 1a6x n ALA 129 Cb 0.51 -2.17 0.13 0.00 0.00 0.00 0.00 19.45 17.92 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 2.38 2.73 -3.01 0.00 10.43 -1.26 -1.93 116.55 125.89 1a6x n ASP 130 Ca 0.15 -2.47 -0.00 0.00 2.57 0.00 0.00 54.79 55.03 1a6x n ASP 130 Cb 0.27 -0.28 -0.00 0.00 1.84 0.00 0.00 41.12 42.95 1a6x n ASP 130 CO 0.00 0.00 0.00 -1.59 -1.07 0.00 0.00 177.20 174.54 1a6x s LYS 131 N -1.83 0.75 0.10 -1.24 -2.85 -1.26 -4.96 119.74 108.44 1a6x s LYS 131 Ca 0.23 -0.42 -0.33 0.00 -1.00 0.00 0.00 55.97 54.45 1a6x s LYS 131 Cb 0.17 0.05 -0.18 0.00 -2.06 0.00 0.00 37.83 35.81 1a6x s LYS 131 CO 0.07 -1.03 0.77 0.43 0.10 0.00 0.00 175.35 175.68 1a6x n SER 132 N 3.87 -0.61 -1.90 0.03 7.64 -1.26 -4.84 113.62 116.55 1a6x n SER 132 Ca 0.12 1.10 0.01 0.00 1.01 0.00 0.00 58.87 61.11 1a6x n SER 132 Cb 0.58 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 1a6x n SER 132 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a6x n GLY 133 N 1.69 0.62 3.40 0.23 0.00 0.18 -4.78 105.19 106.53 1a6x n GLY 133 Ca 0.18 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 1a6x n GLY 133 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1a6x s THR 134 N -2.17 2.37 0.89 2.61 -1.32 -1.24 -0.57 115.64 116.21 1a6x s THR 134 Ca 0.09 -1.66 -0.17 0.00 -1.21 0.00 0.00 61.69 58.74 1a6x s THR 134 Cb -0.00 -2.04 -0.15 0.00 -1.51 0.00 0.00 72.50 68.80 1a6x s THR 134 CO 0.00 0.13 -0.63 0.55 -2.21 0.00 0.00 174.62 172.46 1a6x n VAL 135 N 0.99 0.02 0.00 5.08 3.14 -1.08 0.19 118.33 126.66 1a6x n VAL 135 Ca -0.17 -0.49 0.00 0.00 -2.96 0.00 0.00 64.34 60.71 1a6x n VAL 135 Cb 0.53 -0.02 0.00 0.00 -1.06 0.00 0.00 33.84 33.29 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 2.19 0.00 0.00 1.45 3.00 -0.39 -3.94 118.16 120.47 1a6x n LYS 136 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1a6x n LYS 136 Cb 0.54 -0.13 0.00 0.00 0.00 0.00 0.00 35.03 35.44 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 -2.21 0.00 -2.80 3.14 0.00 -0.22 -4.97 120.51 113.45 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 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 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 4.95 -0.18 0.00 1.01 -1.26 0.19 121.20 125.61 1a6x s ILE 138 Ca 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 60.65 60.61 1a6x s ILE 138 Cb 0.00 -3.18 -0.09 0.00 0.01 0.00 0.00 42.46 39.20 1a6x s ILE 138 CO 0.00 0.53 -0.20 0.18 0.00 0.00 0.00 174.94 175.45 1a6x n LEU 139 N 2.81 1.93 -4.76 2.97 4.77 -0.55 -4.95 117.00 119.22 1a6x n LEU 139 Ca -0.18 0.10 -0.36 0.00 -0.03 0.00 0.00 56.01 55.54 1a6x n LEU 139 Cb 0.53 -0.55 0.01 0.00 -2.33 0.00 0.00 43.42 41.08 1a6x n LEU 139 CO 0.33 0.53 0.83 0.54 -1.33 0.00 0.00 177.39 178.29 1a6x s VAL 140 N -2.33 2.90 -0.20 4.08 0.11 -0.06 -5.02 120.40 119.88 1a6x s VAL 140 Ca -0.24 0.59 -0.03 0.00 -2.93 0.00 0.00 61.98 59.37 1a6x s VAL 140 Cb 0.08 -3.26 -0.00 0.00 -1.53 0.00 0.00 36.38 31.67 1a6x s VAL 140 CO 0.34 -0.09 -0.08 -0.70 -3.33 0.00 0.00 175.10 171.25 1a6x s GLU 141 N -3.15 3.32 -0.91 1.54 2.12 -1.26 -4.97 118.70 115.40 1a6x s GLU 141 Ca 0.72 -0.66 -0.31 0.00 0.36 0.00 0.00 54.97 55.08 1a6x s GLU 141 Cb -0.28 -2.90 -0.21 0.00 0.26 0.00 0.00 34.13 31.00 1a6x s GLU 141 CO 0.32 -0.15 2.54 -1.13 -0.54 0.00 0.00 175.26 176.29 1a6x n SER 142 N 4.63 0.33 0.00 -1.70 3.41 -1.26 0.18 113.62 119.22 1a6x n SER 142 Ca -0.19 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1a6x n SER 142 Cb 0.51 -0.88 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 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 6.38 2.45 3.69 5.00 0.00 0.20 -4.90 105.19 118.01 1a6x n GLY 143 Ca 0.62 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1a6x n GLY 143 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1a6x n GLN 144 N 0.00 0.82 -1.56 1.61 3.00 0.48 -4.61 117.38 117.12 1a6x n GLN 144 Ca 0.00 0.34 -0.30 0.00 -0.01 0.00 0.00 57.00 57.02 1a6x n GLN 144 Cb 0.00 -2.41 0.07 0.00 0.00 0.00 0.00 30.24 27.90 1a6x n GLN 144 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1a6x s PRO 145 N -3.41 2.42 0.15 -1.09 0.04 -1.26 -1.26 135.00 130.59 1a6x s PRO 145 Ca 0.79 0.76 0.07 0.00 0.04 0.00 0.00 61.00 62.66 1a6x s PRO 145 Cb -0.36 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 1a6x s PRO 145 CO 0.45 -1.41 -0.14 0.14 0.04 0.00 0.00 177.00 176.07 1a6x s VAL 146 N -3.11 1.49 0.10 -0.36 -7.23 0.47 -4.69 120.40 107.06 1a6x s VAL 146 Ca 0.60 -1.93 0.03 0.00 -1.81 0.00 0.00 61.98 58.86 1a6x s VAL 146 Cb -0.14 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 34.99 1a6x s VAL 146 CO 0.54 -0.50 -0.08 -0.70 -0.31 0.00 0.00 175.10 174.06 1a6x s GLU 147 N -3.11 0.82 0.08 4.82 2.12 -1.26 -1.34 118.70 120.83 1a6x s GLU 147 Ca 0.15 -1.23 -0.31 0.00 0.36 0.00 0.00 54.97 53.94 1a6x s GLU 147 Cb -0.03 -0.33 -0.09 0.00 0.26 0.00 0.00 34.13 33.94 1a6x s GLU 147 CO 0.04 0.02 1.75 0.12 -0.54 0.00 0.00 175.26 176.65 1a6x s PHE 148 N -3.02 2.19 0.00 5.30 2.19 -1.26 -0.72 117.98 122.65 1a6x s PHE 148 Ca 0.08 0.11 0.00 0.00 0.33 0.00 0.00 56.93 57.45 1a6x s PHE 148 Cb 0.01 -4.07 0.00 0.00 -1.31 0.00 0.00 43.02 37.66 1a6x s PHE 148 CO -0.02 -4.39 0.00 -3.47 1.83 0.00 0.00 175.22 169.17 1a6x n ASP 149 N 5.90 -2.77 -4.86 6.13 2.03 -1.16 -5.03 116.55 116.78 1a6x n ASP 149 Ca 0.17 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 55.12 1a6x n ASP 149 Cb 0.40 -0.46 -0.06 0.00 -0.72 0.00 0.00 41.12 40.28 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 -0.74 3.73 0.72 -0.67 2.12 0.10 -4.93 118.70 119.04 1a6x s GLU 150 Ca 0.00 0.17 -0.11 0.00 0.36 0.00 0.00 54.97 55.39 1a6x s GLU 150 Cb 0.00 -3.13 0.02 0.00 0.26 0.00 0.00 34.13 31.28 1a6x s GLU 150 CO 0.00 0.67 1.07 -1.25 -0.54 0.00 0.00 175.26 175.21 1a6x s PRO 151 N -1.40 2.72 0.00 4.30 0.04 -1.26 0.25 135.00 139.65 1a6x s PRO 151 Ca 0.25 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.16 1a6x s PRO 151 Cb -0.15 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1a6x s PRO 151 CO 0.13 -1.23 0.00 1.28 0.04 0.00 0.00 177.00 177.22 1a6x n LEU 152 N -3.21 0.00 -4.32 -3.56 4.77 0.47 -4.66 117.00 106.50 1a6x n LEU 152 Ca 0.07 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.78 1a6x n LEU 152 Cb 0.54 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.50 1a6x n LEU 152 CO 0.56 0.00 -0.54 -0.69 -1.33 0.00 0.00 177.39 175.39 1a6x s VAL 153 N 0.00 1.93 -0.18 4.08 1.01 -1.22 -0.88 120.40 125.15 1a6x s VAL 153 Ca 0.00 -1.48 -0.07 0.00 0.00 0.00 0.00 61.98 60.43 1a6x s VAL 153 Cb 0.00 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1a6x s VAL 153 CO 0.00 0.13 0.05 -0.69 0.00 0.00 0.00 175.10 174.60 1a6x s VAL 154 N -0.97 4.71 0.32 2.92 1.01 0.50 -0.60 120.40 128.29 1a6x s VAL 154 Ca 0.10 -0.06 0.09 0.00 0.00 0.00 0.00 61.98 62.10 1a6x s VAL 154 Cb -0.10 -3.11 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 1a6x s VAL 154 CO 0.04 0.47 0.03 -0.63 0.00 0.00 0.00 175.10 175.01 1a6x s ILE 155 N 0.33 2.86 0.00 2.22 1.09 -0.31 -1.05 121.20 126.34 1a6x s ILE 155 Ca 0.03 -1.91 0.00 0.00 -1.10 0.00 0.00 60.65 57.67 1a6x s ILE 155 Cb -0.12 -2.83 0.00 0.00 -1.06 0.00 0.00 42.46 38.45 1a6x s ILE 155 CO 0.00 -0.23 0.00 1.21 -0.10 0.00 0.00 174.94 175.82