#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 -3.11 -3.90 2.12 4.71 -1.26 -4.83 120.64 114.37 1a6x n GLU 71 Ca 0.00 2.44 -0.31 0.00 -0.01 0.00 0.00 57.16 59.28 1a6x n GLU 71 Cb 0.00 -3.15 -0.13 0.00 -1.01 0.00 0.00 31.44 27.15 1a6x n GLU 71 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1a6x s ALA 72 N -4.87 3.41 -0.18 0.62 0.00 -1.26 -5.07 121.76 114.41 1a6x s ALA 72 Ca 0.00 -3.33 -0.29 0.00 0.00 0.00 0.00 51.96 48.34 1a6x s ALA 72 Cb 0.00 -2.26 -0.01 0.00 0.00 0.00 0.00 23.12 20.84 1a6x s ALA 72 CO 0.00 -2.04 1.28 -1.25 0.00 0.00 0.00 175.76 173.74 1a6x s PRO 73 N -0.36 4.19 1.31 0.00 0.04 -1.26 -5.01 135.00 133.91 1a6x s PRO 73 Ca 0.18 1.63 -0.19 0.00 0.04 0.00 0.00 61.00 62.65 1a6x s PRO 73 Cb -0.23 -3.78 0.33 0.00 0.04 0.00 0.00 34.50 30.85 1a6x s PRO 73 CO -0.02 -0.76 0.99 0.00 0.04 0.00 0.00 177.00 177.25 1a6x s ALA 74 N 3.62 -0.39 -0.13 8.56 0.00 -1.26 -5.01 121.76 127.15 1a6x s ALA 74 Ca 0.55 -0.67 -0.10 0.00 0.00 0.00 0.00 51.96 51.74 1a6x s ALA 74 Cb -0.21 -3.01 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 1a6x s ALA 74 CO 0.16 -4.18 -0.20 0.00 0.00 0.00 0.00 175.76 171.54 1a6x n ALA 75 N -5.26 0.50 -3.58 0.00 0.00 -1.26 -5.06 120.51 105.86 1a6x n ALA 75 Ca 0.10 -0.49 -0.12 0.00 0.00 0.00 0.00 53.44 52.93 1a6x n ALA 75 Cb 0.58 0.02 -0.06 0.00 0.00 0.00 0.00 19.45 19.99 1a6x n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a6x s ALA 76 N -2.81 -1.89 -0.30 0.00 0.00 -1.26 -5.16 121.76 110.34 1a6x s ALA 76 Ca -0.17 1.60 -0.14 0.00 0.00 0.00 0.00 51.96 53.25 1a6x s ALA 76 Cb 0.02 -0.69 0.16 0.00 0.00 0.00 0.00 23.12 22.60 1a6x s ALA 76 CO 0.25 -0.31 0.90 -2.00 0.00 0.00 0.00 175.76 174.59 1a6x s GLU 77 N -0.83 0.37 0.00 0.00 2.12 -1.26 -5.09 118.70 114.01 1a6x s GLU 77 Ca -0.03 0.92 0.00 0.00 0.36 0.00 0.00 54.97 56.22 1a6x s GLU 77 Cb -0.01 0.55 0.00 0.00 0.26 0.00 0.00 34.13 34.93 1a6x s GLU 77 CO 0.02 -0.13 0.00 -0.89 -0.54 0.00 0.00 175.26 173.73 1a6x n ILE 78 N 5.09 0.00 0.00 -3.70 -0.00 -1.26 -5.02 119.36 114.47 1a6x n ILE 78 Ca -0.10 0.29 0.00 0.00 -0.00 0.00 0.00 62.75 62.94 1a6x n ILE 78 Cb 0.52 -1.28 0.00 0.00 -0.00 0.00 0.00 39.64 38.87 1a6x n ILE 78 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.55 176.31 1a6x n SER 79 N -2.47 0.00 -4.09 4.38 2.88 -1.26 -5.16 113.62 107.90 1a6x n SER 79 Ca 0.00 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.17 1a6x n SER 79 Cb 0.00 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.53 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 0.00 -3.02 3.66 0.46 0.00 -1.25 -4.93 105.19 100.11 1a6x n GLY 80 Ca 0.00 -0.40 -0.25 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.08 2.56 -0.12 1.61 3.76 0.14 -4.88 115.29 116.29 1a6x s HIS 81 Ca 0.43 -0.50 -0.01 0.00 -0.15 0.00 0.00 55.06 54.83 1a6x s HIS 81 Cb 0.00 -1.64 0.03 0.00 1.11 0.00 0.00 32.58 32.09 1a6x s HIS 81 CO 0.68 0.40 -0.03 0.42 -0.85 0.00 0.00 174.74 175.36 1a6x s ILE 82 N -2.56 0.74 -0.32 0.60 -1.09 -1.26 -0.28 121.20 117.03 1a6x s ILE 82 Ca 0.36 -0.24 -0.23 0.00 -2.23 0.00 0.00 60.65 58.31 1a6x s ILE 82 Cb 0.02 -0.90 0.00 0.00 -1.58 0.00 0.00 42.46 40.00 1a6x s ILE 82 CO 0.20 0.20 0.78 -0.69 -1.23 0.00 0.00 174.94 174.20 1a6x s VAL 83 N 1.81 4.79 -0.17 2.92 1.01 -0.18 -4.97 120.40 125.60 1a6x s VAL 83 Ca 0.03 1.09 -0.01 0.00 0.00 0.00 0.00 61.98 63.10 1a6x s VAL 83 Cb -0.14 -4.15 -0.00 0.00 0.00 0.00 0.00 36.38 32.09 1a6x s VAL 83 CO -0.07 -0.29 -0.13 -0.13 0.00 0.00 0.00 175.10 174.48 1a6x s ARG 84 N 2.97 3.23 -0.73 2.72 0.52 -1.26 0.19 118.95 126.59 1a6x s ARG 84 Ca 0.32 -0.73 -0.34 0.00 -0.52 0.00 0.00 55.73 54.46 1a6x s ARG 84 Cb -0.14 -2.71 -0.18 0.00 0.52 0.00 0.00 34.95 32.44 1a6x s ARG 84 CO 0.13 -0.06 2.47 0.43 0.02 0.00 0.00 175.30 178.29 1a6x n SER 85 N 4.30 0.95 0.00 0.23 7.64 0.14 -4.71 113.62 122.16 1a6x n SER 85 Ca -0.19 0.22 0.11 0.00 1.01 0.00 0.00 58.87 60.02 1a6x n SER 85 Cb 0.51 -1.06 0.67 0.00 -1.01 0.00 0.00 64.21 63.32 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 8.32 0.75 -3.50 1.43 -0.04 -1.26 -3.24 135.00 137.46 1a6x n PRO 86 Ca 0.56 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.97 1a6x n PRO 86 Cb 0.12 -1.47 -0.07 0.00 -0.04 0.00 0.00 33.50 32.04 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 0.42 0.28 0.54 -1.94 -1.26 -4.97 119.30 110.36 1a6x s MET 87 Ca 0.34 0.99 -0.29 0.00 -1.71 0.00 0.00 55.69 55.02 1a6x s MET 87 Cb 0.16 0.28 -0.14 0.00 2.01 0.00 0.00 34.83 37.14 1a6x s MET 87 CO 0.26 -0.39 1.15 0.28 -0.01 0.00 0.00 175.02 176.31 1a6x n VAL 88 N 5.40 1.73 0.00 -6.03 0.31 -1.26 -4.68 118.33 113.80 1a6x n VAL 88 Ca -0.07 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 1a6x n VAL 88 Cb 0.50 -1.19 0.00 0.00 -0.91 0.00 0.00 33.84 32.23 1a6x n VAL 88 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a6x n GLY 89 N 1.32 -0.55 3.40 2.92 0.00 -0.50 -4.75 105.19 107.04 1a6x n GLY 89 Ca 0.09 0.18 -0.20 0.00 0.00 0.00 0.00 46.02 46.09 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 1.05 -0.02 2.61 2.01 -0.30 -0.12 115.64 120.88 1a6x s THR 90 Ca 0.00 -2.01 -0.01 0.00 0.31 0.00 0.00 61.69 59.98 1a6x s THR 90 Cb 0.00 -2.67 0.01 0.00 0.01 0.00 0.00 72.50 69.85 1a6x s THR 90 CO 0.00 -0.07 0.03 0.12 -0.69 0.00 0.00 174.62 174.02 1a6x s PHE 91 N -3.40 -0.03 0.21 4.92 2.19 -0.12 -0.54 117.98 121.21 1a6x s PHE 91 Ca 0.35 0.11 0.06 0.00 0.33 0.00 0.00 56.93 57.77 1a6x s PHE 91 Cb 0.08 -0.04 -0.05 0.00 -1.31 0.00 0.00 43.02 41.69 1a6x s PHE 91 CO 0.14 -0.04 -0.08 0.71 1.83 0.00 0.00 175.22 177.78 1a6x s TYR 92 N 0.29 1.61 -0.27 10.12 2.02 0.69 -0.17 117.35 131.64 1a6x s TYR 92 Ca -0.02 -0.74 0.09 0.00 -0.37 0.00 0.00 57.07 56.03 1a6x s TYR 92 Cb -0.03 -0.85 -0.12 0.00 -0.40 0.00 0.00 41.96 40.55 1a6x s TYR 92 CO -0.01 0.17 0.32 0.54 -1.57 0.00 0.00 175.55 175.00 1a6x n ARG 93 N -0.39 2.43 -4.25 -0.62 5.12 -1.26 -1.41 116.66 116.28 1a6x n ARG 93 Ca -0.07 -0.04 -0.18 0.00 -1.93 0.00 0.00 57.85 55.64 1a6x n ARG 93 Cb 0.62 -1.06 -0.11 0.00 -1.16 0.00 0.00 32.46 30.75 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 -2.20 1.34 0.13 0.55 -4.23 -1.26 -1.29 115.64 108.67 1a6x s THR 94 Ca 0.01 -1.78 0.14 0.00 -1.18 0.00 0.00 61.69 58.87 1a6x s THR 94 Cb 0.07 -1.59 0.02 0.00 1.34 0.00 0.00 72.50 72.33 1a6x s THR 94 CO 0.39 -0.46 1.57 1.55 -0.54 0.00 0.00 174.62 177.13 1a6x h PRO 95 N 3.39 0.00 -4.66 3.99 0.13 -1.88 -3.47 132.00 129.50 1a6x h PRO 95 Ca -0.39 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.36 1a6x h PRO 95 Cb 1.20 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.20 1a6x h PRO 95 CO 0.52 0.58 -0.44 0.45 -0.23 0.00 0.00 178.00 178.88 1a6x s SER 96 N -6.60 1.20 0.03 1.44 0.15 -1.26 -5.07 113.70 103.59 1a6x s SER 96 Ca 0.01 -1.62 -0.18 0.00 0.70 0.00 0.00 55.95 54.85 1a6x s SER 96 Cb 0.11 0.55 -0.22 0.00 -1.71 0.00 0.00 66.02 64.75 1a6x s SER 96 CO 0.74 -1.07 1.16 1.55 1.20 0.00 0.00 173.24 176.81 1a6x h PRO 97 N 2.22 0.49 -2.06 5.44 0.13 -1.99 -3.29 132.00 132.94 1a6x h PRO 97 Ca -0.28 -0.48 -0.77 0.00 -0.87 0.00 0.00 66.00 63.60 1a6x h PRO 97 Cb 1.24 0.12 -0.28 0.00 0.13 0.00 0.00 31.00 32.22 1a6x h PRO 97 CO 0.40 1.12 0.99 -0.40 -0.23 0.00 0.00 178.00 179.87 1a6x n ASP 98 N -4.17 7.37 -3.92 1.44 5.75 -1.26 -4.92 116.55 116.84 1a6x n ASP 98 Ca -0.10 -3.79 -0.11 0.00 -0.01 0.00 0.00 54.79 50.78 1a6x n ASP 98 Cb 0.68 -1.07 -0.13 0.00 -1.03 0.00 0.00 41.12 39.57 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 -4.13 0.06 1.13 2.12 0.00 -1.24 -5.15 121.76 114.55 1a6x s ALA 99 Ca 0.48 -0.27 -0.12 0.00 0.00 0.00 0.00 51.96 52.05 1a6x s ALA 99 Cb 0.37 0.06 0.26 0.00 0.00 0.00 0.00 23.12 23.81 1a6x s ALA 99 CO -0.33 -0.07 1.05 0.15 0.00 0.00 0.00 175.76 176.56 1a6x s LYS 100 N -0.65 -0.62 0.13 0.00 3.01 -1.26 -4.79 119.74 115.56 1a6x s LYS 100 Ca -0.07 0.90 -0.30 0.00 -1.01 0.00 0.00 55.97 55.49 1a6x s LYS 100 Cb -0.04 -1.58 -0.07 0.00 -1.01 0.00 0.00 37.83 35.12 1a6x s LYS 100 CO -0.00 -3.54 1.18 0.00 0.51 0.00 0.00 175.35 173.50 1a6x s ALA 101 N -2.52 3.40 0.30 5.17 0.00 -1.26 -4.55 121.76 122.30 1a6x s ALA 101 Ca 0.68 0.88 0.04 0.00 0.00 0.00 0.00 51.96 53.56 1a6x s ALA 101 Cb -0.24 -3.42 0.78 0.00 0.00 0.00 0.00 23.12 20.24 1a6x s ALA 101 CO 0.63 -0.37 1.63 0.74 0.00 0.00 0.00 175.76 178.40 1a6x h PHE 102 N 5.90 0.34 -3.95 0.00 0.04 -1.55 -3.39 116.94 114.33 1a6x h PHE 102 Ca -0.43 0.05 -0.36 0.00 2.80 0.00 0.00 57.97 60.03 1a6x h PHE 102 Cb 1.21 -0.00 -0.29 0.00 2.20 0.00 0.00 35.95 39.07 1a6x h PHE 102 CO 0.64 -0.27 -0.77 0.42 -0.60 0.00 0.00 178.31 177.74 1a6x s ILE 103 N -5.90 0.55 -0.31 -0.55 -1.09 -1.26 -4.95 121.20 107.68 1a6x s ILE 103 Ca -0.12 -0.29 -0.09 0.00 -2.23 0.00 0.00 60.65 57.92 1a6x s ILE 103 Cb 0.27 -0.46 -0.01 0.00 -1.58 0.00 0.00 42.46 40.68 1a6x s ILE 103 CO 0.77 0.16 0.14 -1.83 -1.23 0.00 0.00 174.94 172.96 1a6x s GLU 104 N -0.13 3.33 -0.49 2.79 4.04 -1.26 -5.02 118.70 121.96 1a6x s GLU 104 Ca 0.02 -0.72 -0.45 0.00 0.04 0.00 0.00 54.97 53.86 1a6x s GLU 104 Cb -0.03 -3.54 -0.19 0.00 0.02 0.00 0.00 34.13 30.38 1a6x s GLU 104 CO -0.00 -0.41 1.81 0.28 -1.84 0.00 0.00 175.26 175.09 1a6x n VAL 105 N 4.97 0.01 0.00 1.83 0.31 -1.26 -1.72 118.33 122.47 1a6x n VAL 105 Ca -0.14 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1a6x n VAL 105 Cb 0.49 -0.55 0.00 0.00 -0.91 0.00 0.00 33.84 32.88 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 1.77 3.63 2.92 0.00 -1.26 -5.10 105.19 112.45 1a6x n GLY 106 Ca 0.40 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.31 1.98 -0.21 1.61 0.74 -0.70 -5.06 119.66 117.71 1a6x s GLN 107 Ca 0.00 -2.14 -0.05 0.00 0.05 0.00 0.00 55.36 53.22 1a6x s GLN 107 Cb 0.00 -1.59 -0.02 0.00 1.10 0.00 0.00 33.01 32.49 1a6x s GLN 107 CO 0.00 -0.10 0.00 0.21 -0.55 0.00 0.00 175.29 174.85 1a6x s LYS 108 N -3.74 3.59 -0.07 1.67 2.20 -1.26 -4.05 119.74 118.07 1a6x s LYS 108 Ca 0.31 -0.53 0.03 0.00 -0.36 0.00 0.00 55.97 55.42 1a6x s LYS 108 Cb 0.09 -3.09 -0.02 0.00 -1.51 0.00 0.00 37.83 33.30 1a6x s LYS 108 CO 0.16 -0.04 -0.16 0.14 -0.36 0.00 0.00 175.35 175.09 1a6x s VAL 109 N 1.12 2.84 0.04 4.02 -7.23 -0.33 -4.99 120.40 115.86 1a6x s VAL 109 Ca 0.03 -0.78 0.08 0.00 -1.81 0.00 0.00 61.98 59.49 1a6x s VAL 109 Cb -0.14 -2.12 -0.03 0.00 0.56 0.00 0.00 36.38 34.65 1a6x s VAL 109 CO 0.01 0.57 -0.22 0.54 -0.31 0.00 0.00 175.10 175.69 1a6x s ASN 110 N -0.31 3.52 -0.52 4.85 4.22 -1.26 -0.81 114.94 124.62 1a6x s ASN 110 Ca 0.02 -0.49 -0.43 0.00 -2.14 0.00 0.00 52.86 49.82 1a6x s ASN 110 Cb -0.13 -0.48 -0.19 0.00 1.28 0.00 0.00 41.25 41.74 1a6x s ASN 110 CO 0.03 0.26 2.17 0.55 -2.04 0.00 0.00 177.10 178.07 1a6x n VAL 111 N 1.69 0.00 0.00 3.54 3.14 -1.26 -0.78 118.33 124.66 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 0.52 -0.53 0.00 0.00 -1.06 0.00 0.00 33.84 32.77 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 0.52 3.72 7.55 0.00 -1.22 -5.01 105.19 118.17 1a6x n GLY 112 Ca 0.55 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.42 5.66 0.42 1.61 1.11 0.04 -4.89 116.67 120.20 1a6x s ASP 113 Ca 0.00 0.22 -0.26 0.00 0.18 0.00 0.00 52.55 52.68 1a6x s ASP 113 Cb 0.00 -1.78 -0.09 0.00 1.07 0.00 0.00 42.92 42.12 1a6x s ASP 113 CO 0.00 0.33 1.43 0.41 1.18 0.00 0.00 175.17 178.52 1a6x n THR 114 N 2.48 2.52 -0.04 -1.27 -1.04 -1.26 -0.96 114.28 114.72 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 0.54 -1.85 -0.05 0.00 -1.82 0.00 0.00 70.33 67.14 1a6x n THR 114 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a6x n LEU 115 N 0.06 1.00 0.00 -4.42 -0.00 0.38 -4.67 117.00 109.35 1a6x n LEU 115 Ca 0.04 -0.02 0.00 0.00 -0.00 0.00 0.00 56.01 56.03 1a6x n LEU 115 Cb 0.40 0.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.83 1a6x n LEU 115 CO 0.61 0.35 0.00 0.00 -0.00 0.00 0.00 177.39 178.34 1a6x s ILE 117 N -2.79 1.02 -0.09 0.00 1.01 -0.50 0.00 121.20 119.85 1a6x s ILE 117 Ca 0.00 -2.03 -0.06 0.00 0.00 0.00 0.00 60.65 58.57 1a6x s ILE 117 Cb 0.00 -1.88 0.04 0.00 0.01 0.00 0.00 42.46 40.62 1a6x s ILE 117 CO 0.00 -0.71 0.22 -0.69 0.00 0.00 0.00 174.94 173.76 1a6x s VAL 118 N -3.43 -0.03 0.01 2.92 1.01 0.13 -0.22 120.40 120.79 1a6x s VAL 118 Ca 0.17 0.10 -0.14 0.00 0.00 0.00 0.00 61.98 62.11 1a6x s VAL 118 Cb 0.04 -0.34 -0.06 0.00 0.00 0.00 0.00 36.38 36.02 1a6x s VAL 118 CO 0.00 0.04 0.40 -0.70 0.00 0.00 0.00 175.10 174.85 1a6x s GLU 119 N 0.83 3.89 -0.10 2.72 2.12 0.29 0.22 118.70 128.67 1a6x s GLU 119 Ca -0.06 0.38 -0.30 0.00 0.36 0.00 0.00 54.97 55.35 1a6x s GLU 119 Cb -0.07 -3.20 0.12 0.00 0.26 0.00 0.00 34.13 31.24 1a6x s GLU 119 CO -0.05 0.68 0.95 0.00 -0.54 0.00 0.00 175.26 176.30 1a6x s ALA 120 N -1.11 -1.89 -1.05 6.30 0.00 0.06 -1.15 121.76 122.91 1a6x s ALA 120 Ca 0.24 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.57 1a6x s ALA 120 Cb -0.16 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.71 1a6x s ALA 120 CO 0.14 -0.46 0.00 -1.33 0.00 0.00 0.00 175.76 174.11 1a6x n MET 121 N 0.35 -2.05 -3.31 0.00 2.81 -1.26 0.22 117.12 113.88 1a6x n MET 121 Ca -0.10 0.59 -0.17 0.00 -1.81 0.00 0.00 57.70 56.21 1a6x n MET 121 Cb 0.59 -5.10 0.07 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 -2.57 -6.13 -3.53 0.03 4.81 -1.26 -5.01 118.16 104.50 1a6x n LYS 122 Ca -0.13 0.69 -0.18 0.00 -0.87 0.00 0.00 58.31 57.82 1a6x n LYS 122 Cb 0.56 -5.27 -0.06 0.00 0.02 0.00 0.00 35.03 30.27 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 -5.71 1.05 0.31 1.64 -1.94 0.13 -5.16 119.30 109.63 1a6x s MET 123 Ca 0.30 0.22 -0.27 0.00 -1.71 0.00 0.00 55.69 54.23 1a6x s MET 123 Cb -0.13 0.49 -0.09 0.00 2.01 0.00 0.00 34.83 37.11 1a6x s MET 123 CO 0.60 -0.33 0.99 0.00 -0.01 0.00 0.00 175.02 176.27 1a6x s MET 124 N -1.26 4.57 -0.23 2.03 0.23 -1.26 -0.76 119.30 122.60 1a6x s MET 124 Ca -0.11 1.48 -0.04 0.00 -1.03 0.00 0.00 55.69 55.99 1a6x s MET 124 Cb -0.00 -2.92 0.08 0.00 -1.53 0.00 0.00 34.83 30.46 1a6x s MET 124 CO 0.09 0.23 0.11 -0.80 -2.03 0.00 0.00 175.02 172.62 1a6x s ASN 125 N -1.38 3.02 0.59 -1.18 0.01 0.13 -4.92 114.94 111.20 1a6x s ASN 125 Ca 0.49 -0.99 -0.17 0.00 -0.71 0.00 0.00 52.86 51.48 1a6x s ASN 125 Cb -0.23 -0.34 -0.04 0.00 0.41 0.00 0.00 41.25 41.05 1a6x s ASN 125 CO 0.29 -0.39 1.10 -1.10 -1.51 0.00 0.00 177.10 175.49 1a6x s GLN 126 N 2.08 3.20 -0.21 -0.60 -0.21 -1.26 0.22 119.66 122.88 1a6x s GLN 126 Ca 0.05 1.41 0.01 0.00 0.02 0.00 0.00 55.36 56.85 1a6x s GLN 126 Cb -0.16 -2.00 0.03 0.00 1.00 0.00 0.00 33.01 31.88 1a6x s GLN 126 CO -0.23 -0.94 -0.15 0.42 -2.12 0.00 0.00 175.29 172.28 1a6x s ILE 127 N -2.15 2.28 -0.24 1.08 1.01 0.10 -4.86 121.20 118.43 1a6x s ILE 127 Ca 0.68 -1.09 -0.15 0.00 0.00 0.00 0.00 60.65 60.09 1a6x s ILE 127 Cb -0.20 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 1a6x s ILE 127 CO 0.34 0.35 0.38 -0.70 0.00 0.00 0.00 174.94 175.31 1a6x s GLU 128 N 1.26 4.10 0.07 2.79 2.12 -1.26 -0.47 118.70 127.30 1a6x s GLU 128 Ca 0.01 0.12 -0.36 0.00 0.36 0.00 0.00 54.97 55.10 1a6x s GLU 128 Cb -0.15 -3.59 -0.19 0.00 0.26 0.00 0.00 34.13 30.46 1a6x s GLU 128 CO -0.09 -0.15 0.91 0.00 -0.54 0.00 0.00 175.26 175.39 1a6x n ALA 129 N 4.89 -3.29 -0.62 6.30 0.00 -0.13 -4.83 120.51 122.82 1a6x n ALA 129 Ca -0.08 0.55 0.08 0.00 0.00 0.00 0.00 53.44 53.98 1a6x n ALA 129 Cb 0.51 -1.73 0.28 0.00 0.00 0.00 0.00 19.45 18.51 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 4.05 0.00 0.00 4.64 -1.26 -3.45 116.55 122.21 1a6x n ASP 130 Ca 0.19 -2.51 0.00 0.00 -1.38 0.00 0.00 54.79 51.09 1a6x n ASP 130 Cb 0.14 -0.48 0.00 0.00 -1.04 0.00 0.00 41.12 39.74 1a6x n ASP 130 CO 0.00 0.00 0.00 1.17 -0.82 0.00 0.00 177.20 177.55 1a6x n LYS 131 N 0.46 0.00 -0.99 -0.67 4.81 -1.26 -5.00 118.16 115.52 1a6x n LYS 131 Ca 0.21 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.29 1a6x n LYS 131 Cb 0.78 0.00 0.04 0.00 0.02 0.00 0.00 35.03 35.87 1a6x n LYS 131 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1a6x n SER 132 N 0.00 -5.66 -1.97 3.14 3.41 -1.26 -4.80 113.62 106.48 1a6x n SER 132 Ca 0.00 0.17 0.01 0.00 -0.26 0.00 0.00 58.87 58.80 1a6x n SER 132 Cb 0.00 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 63.19 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 3.40 0.39 2.39 5.00 0.00 0.01 -4.89 105.19 111.49 1a6x n GLY 133 Ca -0.02 -0.89 -0.15 0.00 0.00 0.00 0.00 46.02 44.96 1a6x n GLY 133 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1a6x n THR 134 N -0.32 0.43 -0.85 2.61 -1.04 -1.26 -1.19 114.28 112.67 1a6x n THR 134 Ca 0.02 -4.11 0.11 0.00 -2.04 0.00 0.00 64.05 58.03 1a6x n THR 134 Cb 0.19 -0.01 -0.03 0.00 -1.82 0.00 0.00 70.33 68.66 1a6x n THR 134 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1a6x n VAL 135 N 0.12 0.00 0.00 12.58 3.14 -1.26 -4.47 118.33 128.45 1a6x n VAL 135 Ca 0.20 0.06 0.00 0.00 -2.96 0.00 0.00 64.34 61.64 1a6x n VAL 135 Cb 0.70 -0.33 0.00 0.00 -1.06 0.00 0.00 33.84 33.16 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 -2.71 0.00 0.00 1.45 0.00 0.12 -1.25 118.16 115.77 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 0.59 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.62 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 -2.07 0.00 -2.68 3.14 0.00 0.23 -4.95 120.51 114.18 1a6x n ALA 137 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 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 -0.31 5.30 -0.23 0.00 1.01 -1.26 0.13 121.20 125.83 1a6x s ILE 138 Ca 0.00 0.42 -0.08 0.00 0.00 0.00 0.00 60.65 60.99 1a6x s ILE 138 Cb 0.00 -3.60 -0.18 0.00 0.01 0.00 0.00 42.46 38.70 1a6x s ILE 138 CO 0.00 0.32 -0.09 0.18 0.00 0.00 0.00 174.94 175.35 1a6x n LEU 139 N 4.22 2.47 -4.87 2.97 4.77 0.37 -4.96 117.00 121.97 1a6x n LEU 139 Ca -0.12 0.14 -0.30 0.00 -0.03 0.00 0.00 56.01 55.70 1a6x n LEU 139 Cb 0.52 -0.93 0.05 0.00 -2.33 0.00 0.00 43.42 40.72 1a6x n LEU 139 CO 0.38 0.73 0.74 0.54 -1.33 0.00 0.00 177.39 178.45 1a6x s VAL 140 N -2.50 3.61 0.45 4.08 0.11 0.32 -5.04 120.40 121.43 1a6x s VAL 140 Ca -0.33 0.52 0.06 0.00 -2.93 0.00 0.00 61.98 59.31 1a6x s VAL 140 Cb 0.10 -3.49 -0.03 0.00 -1.53 0.00 0.00 36.38 31.43 1a6x s VAL 140 CO 0.60 -0.69 0.17 -1.61 -3.33 0.00 0.00 175.10 170.24 1a6x s GLU 141 N -5.31 2.19 -0.67 1.54 2.02 -1.26 -4.97 118.70 112.25 1a6x s GLU 141 Ca 0.58 -2.00 -0.26 0.00 0.02 0.00 0.00 54.97 53.31 1a6x s GLU 141 Cb -0.11 -1.88 0.04 0.00 0.10 0.00 0.00 34.13 32.27 1a6x s GLU 141 CO 0.52 -0.23 1.16 0.45 0.02 0.00 0.00 175.26 177.18 1a6x s SER 142 N -3.94 6.24 0.00 -0.19 0.15 -1.26 -3.06 113.70 111.64 1a6x s SER 142 Ca 0.33 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.54 1a6x s SER 142 Cb 0.03 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 1a6x s SER 142 CO 0.18 -1.62 0.00 0.61 1.20 0.00 0.00 173.24 173.62 1a6x n GLY 143 N 5.28 2.41 3.74 9.45 0.00 0.76 -4.91 105.19 121.91 1a6x n GLY 143 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.28 2.58 0.84 1.61 -0.21 -1.17 -4.60 119.66 118.43 1a6x s GLN 144 Ca 0.00 1.92 -0.12 0.00 0.02 0.00 0.00 55.36 57.19 1a6x s GLN 144 Cb 0.00 -1.87 0.10 0.00 1.00 0.00 0.00 33.01 32.24 1a6x s GLN 144 CO 0.00 -1.54 1.11 -1.25 -2.12 0.00 0.00 175.29 171.49 1a6x s PRO 145 N -3.49 1.73 0.06 2.91 0.04 -1.26 -0.95 135.00 134.05 1a6x s PRO 145 Ca 0.79 0.50 -0.05 0.00 0.04 0.00 0.00 61.00 62.28 1a6x s PRO 145 Cb -0.33 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 1a6x s PRO 145 CO 0.39 -1.84 0.09 0.14 0.04 0.00 0.00 177.00 175.83 1a6x s VAL 146 N -3.20 0.17 0.17 -0.36 -7.23 0.83 -4.68 120.40 106.10 1a6x s VAL 146 Ca 0.62 -1.38 0.03 0.00 -1.81 0.00 0.00 61.98 59.44 1a6x s VAL 146 Cb -0.14 -1.30 -0.05 0.00 0.56 0.00 0.00 36.38 35.45 1a6x s VAL 146 CO 0.54 -0.76 -0.02 -1.61 -0.31 0.00 0.00 175.10 172.94 1a6x s GLU 147 N -3.59 1.12 0.28 4.82 0.41 -1.26 -1.41 118.70 119.07 1a6x s GLU 147 Ca 0.03 -1.53 -0.30 0.00 -0.41 0.00 0.00 54.97 52.76 1a6x s GLU 147 Cb 0.05 -0.39 -0.11 0.00 -1.78 0.00 0.00 34.13 31.90 1a6x s GLU 147 CO -0.09 -0.08 1.54 0.12 -0.49 0.00 0.00 175.26 176.25 1a6x s PHE 148 N -3.56 2.85 0.00 1.61 2.19 -1.26 -0.89 117.98 118.93 1a6x s PHE 148 Ca 0.23 0.87 0.00 0.00 0.33 0.00 0.00 56.93 58.36 1a6x s PHE 148 Cb 0.05 -3.98 0.00 0.00 -1.31 0.00 0.00 43.02 37.79 1a6x s PHE 148 CO 0.04 -3.25 0.00 -3.47 1.83 0.00 0.00 175.22 170.37 1a6x n ASP 149 N 2.22 -1.54 -4.76 6.13 2.03 -1.20 -4.98 116.55 114.44 1a6x n ASP 149 Ca 0.08 0.00 -0.39 0.00 0.52 0.00 0.00 54.79 54.99 1a6x n ASP 149 Cb 0.38 -0.95 -0.05 0.00 -0.72 0.00 0.00 41.12 39.78 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 -0.39 4.44 0.52 -0.67 2.56 -0.06 -4.90 118.70 120.20 1a6x s GLU 150 Ca 0.00 0.98 -0.19 0.00 0.00 0.00 0.00 54.97 55.77 1a6x s GLU 150 Cb 0.00 -3.32 -0.07 0.00 2.00 0.00 0.00 34.13 32.74 1a6x s GLU 150 CO 0.00 0.40 1.04 -1.25 -0.56 0.00 0.00 175.26 174.89 1a6x s PRO 151 N -0.44 3.66 0.00 4.30 0.04 -1.26 0.24 135.00 141.54 1a6x s PRO 151 Ca 0.35 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.68 1a6x s PRO 151 Cb -0.20 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1a6x s PRO 151 CO 0.22 -0.54 0.00 1.28 0.04 0.00 0.00 177.00 178.01 1a6x n LEU 152 N -1.32 0.00 -4.24 -3.56 4.77 0.49 -4.58 117.00 108.56 1a6x n LEU 152 Ca 0.09 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.87 1a6x n LEU 152 Cb 0.53 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.50 1a6x n LEU 152 CO 0.42 -0.13 -0.47 -0.69 -1.33 0.00 0.00 177.39 175.20 1a6x s VAL 153 N -0.25 1.39 -0.16 4.08 1.01 -1.21 -0.48 120.40 124.79 1a6x s VAL 153 Ca 0.00 -1.59 -0.03 0.00 0.00 0.00 0.00 61.98 60.37 1a6x s VAL 153 Cb 0.00 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.92 1a6x s VAL 153 CO 0.00 -0.28 -0.06 -0.69 0.00 0.00 0.00 175.10 174.07 1a6x s VAL 154 N -1.69 3.52 0.37 2.92 1.01 0.34 -1.01 120.40 125.86 1a6x s VAL 154 Ca 0.06 -0.48 0.08 0.00 0.00 0.00 0.00 61.98 61.64 1a6x s VAL 154 Cb -0.07 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.72 1a6x s VAL 154 CO 0.03 0.48 0.15 -0.63 0.00 0.00 0.00 175.10 175.14 1a6x s ILE 155 N 0.65 2.71 -1.63 2.22 1.09 0.61 0.11 121.20 126.95 1a6x s ILE 155 Ca -0.04 -1.71 0.13 0.00 -1.10 0.00 0.00 60.65 57.93 1a6x s ILE 155 Cb -0.15 -2.96 0.10 0.00 -1.06 0.00 0.00 42.46 38.40 1a6x s ILE 155 CO 0.02 -0.11 0.91 -0.62 -0.10 0.00 0.00 174.94 175.04