#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a6x s GLU 71 N 0.00 1.19 -0.64 0.03 2.12 -1.26 -3.90 118.70 116.24 1a6x s GLU 71 Ca 0.00 1.47 -0.19 0.00 0.36 0.00 0.00 54.97 56.61 1a6x s GLU 71 Cb 0.00 -1.75 0.03 0.00 0.26 0.00 0.00 34.13 32.67 1a6x s GLU 71 CO 0.00 -2.49 0.63 0.00 -0.54 0.00 0.00 175.26 172.87 1a6x n ALA 72 N -4.13 -2.56 -1.52 6.30 0.00 -1.26 -4.93 120.51 112.41 1a6x n ALA 72 Ca 0.11 0.03 -0.30 0.00 0.00 0.00 0.00 53.44 53.28 1a6x n ALA 72 Cb 0.52 -1.46 0.22 0.00 0.00 0.00 0.00 19.45 18.73 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 -3.73 -0.42 -0.15 0.00 0.04 -1.25 -5.05 135.00 124.43 1a6x s PRO 73 Ca 0.19 -0.31 -0.15 0.00 0.04 0.00 0.00 61.00 60.77 1a6x s PRO 73 Cb -0.02 -1.71 -0.05 0.00 0.04 0.00 0.00 34.50 32.76 1a6x s PRO 73 CO 0.89 -3.14 -0.29 0.00 0.04 0.00 0.00 177.00 174.50 1a6x n ALA 74 N -4.30 0.72 -2.68 8.56 0.00 -1.26 -4.97 120.51 116.58 1a6x n ALA 74 Ca 0.15 -0.70 -0.05 0.00 0.00 0.00 0.00 53.44 52.85 1a6x n ALA 74 Cb 0.59 0.02 0.10 0.00 0.00 0.00 0.00 19.45 20.17 1a6x n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a6x n ALA 75 N -4.11 -2.71 -1.53 0.00 0.00 -1.26 -5.13 120.51 105.76 1a6x n ALA 75 Ca -0.11 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.70 1a6x n ALA 75 Cb 0.42 -2.70 0.00 0.00 0.00 0.00 0.00 19.45 17.17 1a6x n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a6x n ALA 76 N 0.73 -1.91 0.00 0.00 0.00 -1.26 -5.07 120.51 113.00 1a6x n ALA 76 Ca -0.02 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1a6x n ALA 76 Cb 0.73 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1a6x n ALA 76 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1a6x n GLU 77 N -1.64 0.00 -2.65 0.00 4.07 -1.26 -5.06 120.64 114.11 1a6x n GLU 77 Ca 0.00 0.00 -0.08 0.00 -0.06 0.00 0.00 57.16 57.02 1a6x n GLU 77 Cb 0.20 0.00 0.04 0.00 -0.06 0.00 0.00 31.44 31.62 1a6x n GLU 77 CO 0.00 0.00 0.00 0.44 -0.06 0.00 0.00 177.13 177.51 1a6x n ILE 78 N 0.00 1.45 -3.24 6.31 -0.00 -1.26 -5.03 119.36 117.58 1a6x n ILE 78 Ca 0.00 -3.29 -0.12 0.00 -0.00 0.00 0.00 62.75 59.34 1a6x n ILE 78 Cb 0.00 0.59 0.01 0.00 -0.00 0.00 0.00 39.64 40.24 1a6x n ILE 78 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 1a6x n SER 79 N -0.45 -6.40 -4.01 7.28 7.64 -1.26 -4.80 113.62 111.62 1a6x n SER 79 Ca 0.15 0.32 -0.36 0.00 1.01 0.00 0.00 58.87 59.98 1a6x n SER 79 Cb 0.82 -1.98 0.04 0.00 -1.01 0.00 0.00 64.21 62.08 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 0.78 -4.29 2.82 0.23 0.00 -1.25 -4.91 105.19 98.57 1a6x n GLY 80 Ca -0.02 -0.67 -0.23 0.00 0.00 0.00 0.00 46.02 45.09 1a6x n GLY 80 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1a6x s HIS 81 N -2.01 0.85 -0.31 1.61 -3.43 0.14 -4.90 115.29 107.25 1a6x s HIS 81 Ca 0.40 -0.29 -0.25 0.00 -0.80 0.00 0.00 55.06 54.12 1a6x s HIS 81 Cb -0.13 -0.87 0.00 0.00 -1.43 0.00 0.00 32.58 30.15 1a6x s HIS 81 CO 0.79 -0.35 0.86 0.42 -2.00 0.00 0.00 174.74 174.46 1a6x s ILE 82 N 1.77 4.73 -0.12 -5.38 1.09 -1.26 -1.27 121.20 120.76 1a6x s ILE 82 Ca 0.03 1.32 -0.29 0.00 -1.10 0.00 0.00 60.65 60.60 1a6x s ILE 82 Cb -0.13 -4.21 -0.05 0.00 -1.06 0.00 0.00 42.46 37.02 1a6x s ILE 82 CO -0.05 -0.30 1.72 -0.69 -0.10 0.00 0.00 174.94 175.51 1a6x s VAL 83 N 3.12 3.52 -0.29 2.92 1.01 0.22 -4.84 120.40 126.06 1a6x s VAL 83 Ca 0.35 0.61 -0.15 0.00 0.00 0.00 0.00 61.98 62.79 1a6x s VAL 83 Cb -0.14 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 1a6x s VAL 83 CO 0.13 -0.14 0.37 -0.13 0.00 0.00 0.00 175.10 175.33 1a6x s ARG 84 N 4.53 3.91 -0.73 2.72 0.52 -1.26 0.18 118.95 128.81 1a6x s ARG 84 Ca 0.76 -0.07 -0.33 0.00 -0.52 0.00 0.00 55.73 55.57 1a6x s ARG 84 Cb -0.31 -3.69 -0.18 0.00 0.52 0.00 0.00 34.95 31.29 1a6x s ARG 84 CO 0.31 -0.34 2.48 -1.13 0.02 0.00 0.00 175.30 176.64 1a6x n SER 85 N 5.35 0.95 0.00 0.23 3.41 0.14 -4.71 113.62 118.99 1a6x n SER 85 Ca -0.09 0.20 0.11 0.00 -0.26 0.00 0.00 58.87 58.83 1a6x n SER 85 Cb 0.50 -1.07 0.68 0.00 -0.26 0.00 0.00 64.21 64.06 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 8.35 0.75 -3.63 4.33 -0.04 -1.26 -3.00 135.00 140.50 1a6x n PRO 86 Ca 0.56 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.89 1a6x n PRO 86 Cb 0.13 -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 0.78 0.32 0.54 -1.94 -1.26 -5.00 119.30 110.75 1a6x s MET 87 Ca 0.34 0.96 -0.27 0.00 -1.71 0.00 0.00 55.69 55.00 1a6x s MET 87 Cb 0.16 0.37 -0.09 0.00 2.01 0.00 0.00 34.83 37.27 1a6x s MET 87 CO 0.26 -0.10 1.08 0.08 -0.01 0.00 0.00 175.02 176.33 1a6x s VAL 88 N 0.44 3.59 0.00 -6.03 1.01 -1.26 -4.55 120.40 113.59 1a6x s VAL 88 Ca -0.00 1.45 0.00 0.00 0.00 0.00 0.00 61.98 63.43 1a6x s VAL 88 Cb -0.05 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.46 1a6x s VAL 88 CO -0.01 0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.94 1a6x n GLY 89 N 0.90 -0.41 3.40 4.51 0.00 -0.55 -4.72 105.19 108.32 1a6x n GLY 89 Ca 0.01 0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 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 0.87 0.01 2.61 2.01 -0.34 -0.18 115.64 120.62 1a6x s THR 90 Ca 0.00 -2.00 0.01 0.00 0.31 0.00 0.00 61.69 60.01 1a6x s THR 90 Cb 0.00 -2.69 -0.01 0.00 0.01 0.00 0.00 72.50 69.81 1a6x s THR 90 CO 0.00 0.00 -0.04 0.12 -0.69 0.00 0.00 174.62 174.01 1a6x s PHE 91 N -3.47 0.31 0.06 4.92 2.19 0.00 -0.37 117.98 121.62 1a6x s PHE 91 Ca 0.36 -0.25 -0.00 0.00 0.33 0.00 0.00 56.93 57.37 1a6x s PHE 91 Cb 0.08 -0.20 -0.04 0.00 -1.31 0.00 0.00 43.02 41.55 1a6x s PHE 91 CO 0.15 -0.06 -0.04 0.71 1.83 0.00 0.00 175.22 177.80 1a6x s TYR 92 N -0.65 0.60 -0.09 10.12 2.02 0.76 -0.65 117.35 129.47 1a6x s TYR 92 Ca -0.05 -0.97 0.06 0.00 -0.37 0.00 0.00 57.07 55.74 1a6x s TYR 92 Cb -0.05 -0.41 -0.09 0.00 -0.40 0.00 0.00 41.96 41.02 1a6x s TYR 92 CO -0.00 -0.29 0.17 0.54 -1.57 0.00 0.00 175.55 174.40 1a6x n ARG 93 N 0.24 1.65 -4.16 -0.62 1.74 -1.26 -0.89 116.66 113.35 1a6x n ARG 93 Ca -0.15 -0.04 -0.14 0.00 -0.77 0.00 0.00 57.85 56.76 1a6x n ARG 93 Cb 0.60 -1.04 -0.11 0.00 -1.02 0.00 0.00 32.46 30.90 1a6x n ARG 93 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1a6x s THR 94 N -2.17 0.88 -0.35 0.55 -4.23 -1.26 -1.43 115.64 107.62 1a6x s THR 94 Ca -0.01 -1.61 0.27 0.00 -1.18 0.00 0.00 61.69 59.16 1a6x s THR 94 Cb 0.04 -1.32 0.32 0.00 1.34 0.00 0.00 72.50 72.89 1a6x s THR 94 CO 0.26 -0.57 1.78 1.55 -0.54 0.00 0.00 174.62 177.09 1a6x h PRO 95 N 3.60 0.00 -3.67 3.99 0.13 -1.90 -3.46 132.00 130.69 1a6x h PRO 95 Ca -0.37 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.62 1a6x h PRO 95 Cb 1.19 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 1a6x h PRO 95 CO 0.53 0.00 -0.04 -1.12 -0.23 0.00 0.00 178.00 177.14 1a6x s SER 96 N -5.27 0.38 -0.03 1.44 0.01 -1.26 -5.02 113.70 103.95 1a6x s SER 96 Ca 0.05 -1.23 -0.23 0.00 1.31 0.00 0.00 55.95 55.86 1a6x s SER 96 Cb 0.09 0.70 -0.22 0.00 0.21 0.00 0.00 66.02 66.79 1a6x s SER 96 CO 0.56 -1.36 1.08 1.55 0.41 0.00 0.00 173.24 175.47 1a6x h PRO 97 N 2.11 0.22 -0.86 12.44 0.13 -1.97 -3.22 132.00 140.86 1a6x h PRO 97 Ca -0.28 -0.22 -0.30 0.00 -0.87 0.00 0.00 66.00 64.33 1a6x h PRO 97 Cb 1.25 0.06 -0.18 0.00 0.13 0.00 0.00 31.00 32.25 1a6x h PRO 97 CO 0.38 0.92 0.38 -0.40 -0.23 0.00 0.00 178.00 179.04 1a6x n ASP 98 N -4.48 4.33 -4.85 1.44 5.75 -1.26 -4.93 116.55 112.56 1a6x n ASP 98 Ca -0.09 -3.25 -0.23 0.00 -0.01 0.00 0.00 54.79 51.21 1a6x n ASP 98 Cb 0.51 -0.76 -0.04 0.00 -1.03 0.00 0.00 41.12 39.80 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 -2.88 3.66 1.05 2.12 0.00 -1.22 -5.10 121.76 119.37 1a6x s ALA 99 Ca 0.52 -1.33 -0.12 0.00 0.00 0.00 0.00 51.96 51.03 1a6x s ALA 99 Cb 0.42 -1.41 0.22 0.00 0.00 0.00 0.00 23.12 22.35 1a6x s ALA 99 CO 0.12 0.32 1.07 0.15 0.00 0.00 0.00 175.76 177.41 1a6x s LYS 100 N -3.68 0.03 -0.09 0.00 1.02 -1.26 -4.78 119.74 110.97 1a6x s LYS 100 Ca 0.33 0.87 -0.13 0.00 0.02 0.00 0.00 55.97 57.05 1a6x s LYS 100 Cb -0.09 -1.66 -0.05 0.00 -0.52 0.00 0.00 37.83 35.51 1a6x s LYS 100 CO 0.25 -3.10 0.32 0.00 -0.92 0.00 0.00 175.35 171.91 1a6x s ALA 101 N -2.68 3.67 0.27 5.17 0.00 -1.26 -4.29 121.76 122.63 1a6x s ALA 101 Ca 0.67 -0.38 -0.00 0.00 0.00 0.00 0.00 51.96 52.24 1a6x s ALA 101 Cb -0.22 -2.34 0.52 0.00 0.00 0.00 0.00 23.12 21.09 1a6x s ALA 101 CO 0.61 0.31 1.80 0.74 0.00 0.00 0.00 175.76 179.22 1a6x h PHE 102 N 5.71 0.97 -3.24 0.00 0.04 -1.60 -3.38 116.94 115.44 1a6x h PHE 102 Ca -0.47 0.03 -0.49 0.00 2.80 0.00 0.00 57.97 59.85 1a6x h PHE 102 Cb 1.20 -0.30 -0.38 0.00 2.20 0.00 0.00 35.95 38.67 1a6x h PHE 102 CO 0.67 0.34 -0.78 0.96 -0.60 0.00 0.00 178.31 178.89 1a6x s ILE 103 N -5.97 0.67 -0.33 -0.55 -0.00 -1.26 -4.90 121.20 108.87 1a6x s ILE 103 Ca -0.12 -0.15 -0.19 0.00 -0.00 0.00 0.00 60.65 60.19 1a6x s ILE 103 Cb 0.22 -0.82 -0.01 0.00 -0.00 0.00 0.00 42.46 41.85 1a6x s ILE 103 CO 0.79 0.24 0.57 -1.61 -0.00 0.00 0.00 174.94 174.93 1a6x s GLU 104 N 1.84 3.78 -0.49 0.37 0.41 -1.26 -4.97 118.70 118.38 1a6x s GLU 104 Ca 0.04 0.09 -0.46 0.00 -0.41 0.00 0.00 54.97 54.23 1a6x s GLU 104 Cb -0.13 -3.76 -0.20 0.00 -1.78 0.00 0.00 34.13 28.26 1a6x s GLU 104 CO -0.07 -0.60 1.77 0.28 -0.49 0.00 0.00 175.26 176.16 1a6x n VAL 105 N 5.42 0.01 0.00 2.63 0.31 -1.26 -1.49 118.33 123.95 1a6x n VAL 105 Ca -0.03 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1a6x n VAL 105 Cb 0.49 -0.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 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 1.62 3.37 2.92 0.00 -1.26 -5.09 105.19 111.85 1a6x n GLY 106 Ca 0.38 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.22 1.44 0.37 1.61 -0.44 -0.56 -5.01 119.66 116.86 1a6x s GLN 107 Ca 0.00 -1.74 0.08 0.00 -2.50 0.00 0.00 55.36 51.20 1a6x s GLN 107 Cb 0.00 -0.80 -0.03 0.00 -1.64 0.00 0.00 33.01 30.54 1a6x s GLN 107 CO 0.00 -0.08 0.25 0.21 0.50 0.00 0.00 175.29 176.18 1a6x s LYS 108 N -3.83 2.49 -0.01 1.67 2.20 -1.26 -2.73 119.74 118.26 1a6x s LYS 108 Ca 0.30 -1.52 -0.08 0.00 -0.36 0.00 0.00 55.97 54.31 1a6x s LYS 108 Cb 0.06 -2.28 0.01 0.00 -1.51 0.00 0.00 37.83 34.10 1a6x s LYS 108 CO 0.11 -0.01 0.16 0.14 -0.36 0.00 0.00 175.35 175.39 1a6x s VAL 109 N -2.43 0.06 0.01 4.02 -7.23 0.10 -4.97 120.40 109.96 1a6x s VAL 109 Ca 0.42 -0.53 0.07 0.00 -1.81 0.00 0.00 61.98 60.14 1a6x s VAL 109 Cb -0.03 -0.41 -0.02 0.00 0.56 0.00 0.00 36.38 36.48 1a6x s VAL 109 CO 0.25 -0.29 -0.22 0.20 -0.31 0.00 0.00 175.10 174.73 1a6x s ASN 110 N -1.06 2.63 -0.55 4.85 0.01 -1.26 -0.68 114.94 118.88 1a6x s ASN 110 Ca -0.11 -0.45 -0.42 0.00 -0.71 0.00 0.00 52.86 51.16 1a6x s ASN 110 Cb -0.06 -0.27 -0.19 0.00 0.41 0.00 0.00 41.25 41.14 1a6x s ASN 110 CO 0.01 0.24 2.20 0.52 -1.51 0.00 0.00 177.10 178.57 1a6x n VAL 111 N 2.26 0.01 0.00 1.60 0.31 -1.26 -0.42 118.33 120.83 1a6x n VAL 111 Ca -0.16 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1a6x n VAL 111 Cb 0.53 -0.54 0.00 0.00 -0.91 0.00 0.00 33.84 32.92 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 0.86 3.75 2.92 0.00 -1.22 -5.01 105.19 113.85 1a6x n GLY 112 Ca 0.56 0.00 -0.36 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 -0.88 5.72 0.42 1.61 -0.00 0.44 -4.89 116.67 119.09 1a6x s ASP 113 Ca 0.00 0.26 -0.26 0.00 -0.00 0.00 0.00 52.55 52.54 1a6x s ASP 113 Cb 0.00 -1.77 -0.10 0.00 -0.00 0.00 0.00 42.92 41.06 1a6x s ASP 113 CO 0.00 0.36 1.42 0.41 -0.00 0.00 0.00 175.17 177.36 1a6x n THR 114 N 2.28 2.48 -0.03 -1.27 -1.04 -1.26 -0.44 114.28 114.99 1a6x n THR 114 Ca -0.19 -0.50 -0.04 0.00 -2.04 0.00 0.00 64.05 61.28 1a6x n THR 114 Cb 0.54 -1.83 -0.05 0.00 -1.82 0.00 0.00 70.33 67.17 1a6x n THR 114 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1a6x n LEU 115 N 0.12 0.66 0.00 -4.42 7.94 0.65 -4.70 117.00 117.25 1a6x n LEU 115 Ca 0.04 -0.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.93 1a6x n LEU 115 Cb 0.40 0.06 0.00 0.00 0.53 0.00 0.00 43.42 44.41 1a6x n LEU 115 CO 0.61 0.27 0.00 0.00 -1.11 0.00 0.00 177.39 177.16 1a6x s ILE 117 N -2.01 0.17 -0.08 0.00 1.01 -0.07 -0.34 121.20 119.87 1a6x s ILE 117 Ca 0.00 -1.37 -0.04 0.00 0.00 0.00 0.00 60.65 59.25 1a6x s ILE 117 Cb 0.00 -1.29 0.04 0.00 0.01 0.00 0.00 42.46 41.22 1a6x s ILE 117 CO 0.00 -0.76 0.18 -0.69 0.00 0.00 0.00 174.94 173.67 1a6x s VAL 118 N -3.57 -0.07 0.07 2.92 1.01 0.86 -0.17 120.40 121.46 1a6x s VAL 118 Ca 0.03 0.18 -0.22 0.00 0.00 0.00 0.00 61.98 61.98 1a6x s VAL 118 Cb 0.04 -0.29 -0.07 0.00 0.00 0.00 0.00 36.38 36.07 1a6x s VAL 118 CO -0.09 0.08 0.65 -0.70 0.00 0.00 0.00 175.10 175.04 1a6x s GLU 119 N 1.29 4.36 -0.10 2.72 2.12 0.50 -0.36 118.70 129.22 1a6x s GLU 119 Ca -0.08 0.89 -0.30 0.00 0.36 0.00 0.00 54.97 55.84 1a6x s GLU 119 Cb -0.11 -3.29 0.08 0.00 0.26 0.00 0.00 34.13 31.07 1a6x s GLU 119 CO -0.07 0.51 0.73 0.00 -0.54 0.00 0.00 175.26 175.89 1a6x s ALA 120 N -0.75 -1.79 -1.59 6.30 0.00 -0.35 -1.20 121.76 122.37 1a6x s ALA 120 Ca 0.32 1.47 0.00 0.00 0.00 0.00 0.00 51.96 53.76 1a6x s ALA 120 Cb -0.20 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.62 1a6x s ALA 120 CO 0.21 -0.36 0.00 -1.33 0.00 0.00 0.00 175.76 174.28 1a6x n MET 121 N 1.21 -1.34 -2.79 0.00 2.81 -1.26 0.22 117.12 115.97 1a6x n MET 121 Ca -0.17 0.89 -0.08 0.00 -1.81 0.00 0.00 57.70 56.53 1a6x n MET 121 Cb 0.57 -5.17 0.02 0.00 -0.71 0.00 0.00 33.22 27.93 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 -1.98 -2.47 -3.71 0.03 3.00 -1.26 -5.04 118.16 106.74 1a6x n LYS 122 Ca -0.15 0.29 -0.12 0.00 -0.00 0.00 0.00 58.31 58.33 1a6x n LYS 122 Cb 0.50 -3.73 -0.10 0.00 0.00 0.00 0.00 35.03 31.70 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 -5.32 0.51 0.19 1.64 1.75 0.13 -5.14 119.30 113.07 1a6x s MET 123 Ca 0.18 0.71 -0.30 0.00 -1.25 0.00 0.00 55.69 55.03 1a6x s MET 123 Cb -0.08 0.18 -0.09 0.00 2.84 0.00 0.00 34.83 37.69 1a6x s MET 123 CO 0.22 -0.09 1.29 -1.64 -0.65 0.00 0.00 175.02 174.15 1a6x s MET 124 N 0.61 4.40 -0.26 4.11 -1.94 -1.26 -1.21 119.30 123.74 1a6x s MET 124 Ca -0.03 2.03 -0.01 0.00 -1.71 0.00 0.00 55.69 55.97 1a6x s MET 124 Cb -0.05 -3.20 0.08 0.00 2.01 0.00 0.00 34.83 33.67 1a6x s MET 124 CO -0.04 -0.23 0.05 -0.80 -0.01 0.00 0.00 175.02 173.99 1a6x s ASN 125 N 0.32 3.66 0.52 3.03 0.01 0.51 -4.95 114.94 118.05 1a6x s ASN 125 Ca 0.56 -1.31 -0.21 0.00 -0.71 0.00 0.00 52.86 51.19 1a6x s ASN 125 Cb -0.36 -0.85 -0.06 0.00 0.41 0.00 0.00 41.25 40.40 1a6x s ASN 125 CO 0.38 -0.35 1.19 -1.58 -1.51 0.00 0.00 177.10 175.23 1a6x s GLN 126 N 1.64 3.41 -0.23 -0.60 0.74 -1.26 -0.10 119.66 123.27 1a6x s GLN 126 Ca 0.04 1.81 -0.01 0.00 0.05 0.00 0.00 55.36 57.25 1a6x s GLN 126 Cb -0.17 -2.19 0.02 0.00 1.10 0.00 0.00 33.01 31.77 1a6x s GLN 126 CO -0.16 -0.85 -0.10 0.42 -0.55 0.00 0.00 175.29 174.05 1a6x s ILE 127 N -1.57 2.62 0.01 -2.34 1.01 0.53 -4.86 121.20 116.60 1a6x s ILE 127 Ca 0.70 -1.02 -0.18 0.00 0.00 0.00 0.00 60.65 60.15 1a6x s ILE 127 Cb -0.29 -2.28 -0.06 0.00 0.01 0.00 0.00 42.46 39.84 1a6x s ILE 127 CO 0.34 0.29 0.51 -0.70 0.00 0.00 0.00 174.94 175.38 1a6x s GLU 128 N 1.31 4.15 0.15 2.79 2.12 -1.26 -0.25 118.70 127.71 1a6x s GLU 128 Ca 0.01 0.60 -0.34 0.00 0.36 0.00 0.00 54.97 55.60 1a6x s GLU 128 Cb -0.16 -3.28 -0.16 0.00 0.26 0.00 0.00 34.13 30.80 1a6x s GLU 128 CO -0.07 0.55 1.24 0.00 -0.54 0.00 0.00 175.26 176.44 1a6x n ALA 129 N 2.17 -0.60 -0.54 6.30 0.00 0.41 -4.83 120.51 123.42 1a6x n ALA 129 Ca -0.10 0.47 0.07 0.00 0.00 0.00 0.00 53.44 53.88 1a6x n ALA 129 Cb 0.51 -2.07 0.22 0.00 0.00 0.00 0.00 19.45 18.12 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 2.21 3.57 -3.14 0.00 8.00 -1.26 -3.45 116.55 122.48 1a6x n ASP 130 Ca 0.16 -2.43 0.06 0.00 0.71 0.00 0.00 54.79 53.29 1a6x n ASP 130 Cb 0.24 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.94 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 -1.77 0.02 0.37 -1.24 2.20 -1.26 -5.00 119.74 113.06 1a6x s LYS 131 Ca 0.35 0.02 -0.21 0.00 -0.36 0.00 0.00 55.97 55.77 1a6x s LYS 131 Cb 0.23 0.01 -0.15 0.00 -1.51 0.00 0.00 37.83 36.41 1a6x s LYS 131 CO 0.15 -0.04 0.12 -1.13 -0.36 0.00 0.00 175.35 174.08 1a6x n SER 132 N 4.98 -2.66 0.00 1.43 3.41 -1.26 -4.84 113.62 114.68 1a6x n SER 132 Ca 0.11 0.81 0.00 0.00 -0.26 0.00 0.00 58.87 59.52 1a6x n SER 132 Cb 0.59 -0.86 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 2.23 -1.37 3.72 5.00 0.00 0.14 -4.96 105.19 109.96 1a6x n GLY 133 Ca 0.11 -0.97 -0.27 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.69 2.04 1.05 2.61 2.01 -0.97 0.03 115.64 119.72 1a6x s THR 134 Ca 0.00 -1.79 -0.11 0.00 0.31 0.00 0.00 61.69 60.09 1a6x s THR 134 Cb 0.00 -2.84 0.22 0.00 0.01 0.00 0.00 72.50 69.90 1a6x s THR 134 CO 0.00 0.00 1.08 0.54 -0.69 0.00 0.00 174.62 175.55 1a6x s VAL 135 N -2.67 2.03 0.02 3.82 0.11 -1.11 0.19 120.40 122.78 1a6x s VAL 135 Ca 0.35 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.41 1a6x s VAL 135 Cb 0.05 -2.03 0.00 0.00 -1.53 0.00 0.00 36.38 32.87 1a6x s VAL 135 CO 0.19 -0.01 0.00 1.17 -3.33 0.00 0.00 175.10 173.12 1a6x n LYS 136 N -4.63 0.00 0.00 1.54 0.00 -0.05 -3.64 118.16 111.38 1a6x n LYS 136 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.38 1a6x n LYS 136 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.56 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 -2.55 0.00 -3.01 3.14 0.00 0.08 -4.95 120.51 113.23 1a6x n ALA 137 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 1a6x n ALA 137 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 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 -1.08 4.32 -0.13 0.00 -1.09 -1.26 0.17 121.20 122.13 1a6x s ILE 138 Ca 0.00 -0.50 -0.17 0.00 -2.23 0.00 0.00 60.65 57.75 1a6x s ILE 138 Cb 0.00 -3.20 -0.25 0.00 -1.58 0.00 0.00 42.46 37.43 1a6x s ILE 138 CO 0.00 0.10 0.48 -0.07 -1.23 0.00 0.00 174.94 174.22 1a6x h LEU 139 N 8.29 0.29 -9.65 2.97 3.38 -1.84 -3.46 115.31 115.28 1a6x h LEU 139 Ca -0.32 -0.80 -0.57 0.00 0.09 0.00 0.00 57.88 56.27 1a6x h LEU 139 Cb 1.14 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 1a6x h LEU 139 CO 0.61 1.59 -0.01 0.54 0.09 0.00 0.00 178.44 181.25 1a6x s VAL 140 N -2.45 4.76 0.75 1.22 0.11 -0.83 -5.07 120.40 118.89 1a6x s VAL 140 Ca -0.22 1.26 -0.04 0.00 -2.93 0.00 0.00 61.98 60.05 1a6x s VAL 140 Cb 0.04 -3.93 0.13 0.00 -1.53 0.00 0.00 36.38 31.10 1a6x s VAL 140 CO 0.73 0.52 1.04 -0.70 -3.33 0.00 0.00 175.10 173.36 1a6x s GLU 141 N -0.86 1.59 -1.05 1.54 2.12 -1.26 -4.95 118.70 115.82 1a6x s GLU 141 Ca 0.30 -0.87 -0.20 0.00 0.36 0.00 0.00 54.97 54.56 1a6x s GLU 141 Cb -0.19 -2.23 0.09 0.00 0.26 0.00 0.00 34.13 32.05 1a6x s GLU 141 CO 0.19 -1.56 1.40 0.45 -0.54 0.00 0.00 175.26 175.20 1a6x s SER 142 N -4.72 6.63 0.00 -1.70 0.15 -1.26 -2.83 113.70 109.97 1a6x s SER 142 Ca 0.67 -1.90 0.00 0.00 0.70 0.00 0.00 55.95 55.42 1a6x s SER 142 Cb -0.06 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1a6x s SER 142 CO 0.46 -1.27 0.00 0.61 1.20 0.00 0.00 173.24 174.24 1a6x n GLY 143 N 6.04 0.48 3.82 9.45 0.00 0.18 -4.89 105.19 120.26 1a6x n GLY 143 Ca 0.33 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.02 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 4.24 0.72 1.61 -0.21 -1.13 -4.78 119.66 120.12 1a6x s GLN 144 Ca 0.00 1.13 -0.11 0.00 0.02 0.00 0.00 55.36 56.40 1a6x s GLN 144 Cb 0.00 -2.20 0.03 0.00 1.00 0.00 0.00 33.01 31.84 1a6x s GLN 144 CO 0.00 -0.02 1.07 -1.25 -2.12 0.00 0.00 175.29 172.97 1a6x s PRO 145 N -3.14 2.69 0.05 2.91 0.04 -1.26 -0.82 135.00 135.47 1a6x s PRO 145 Ca 0.62 0.87 -0.00 0.00 0.04 0.00 0.00 61.00 62.52 1a6x s PRO 145 Cb -0.09 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 1a6x s PRO 145 CO 0.13 -1.25 -0.04 0.14 0.04 0.00 0.00 177.00 176.03 1a6x s VAL 146 N -3.07 0.27 0.07 -0.36 -7.23 0.75 -4.74 120.40 106.09 1a6x s VAL 146 Ca 0.59 -1.56 0.03 0.00 -1.81 0.00 0.00 61.98 59.23 1a6x s VAL 146 Cb -0.14 -1.18 -0.03 0.00 0.56 0.00 0.00 36.38 35.59 1a6x s VAL 146 CO 0.55 -0.82 -0.10 -1.61 -0.31 0.00 0.00 175.10 172.80 1a6x s GLU 147 N -3.17 0.74 0.29 4.82 8.01 -1.26 -1.49 118.70 126.65 1a6x s GLU 147 Ca 0.01 -0.99 -0.30 0.00 0.01 0.00 0.00 54.97 53.70 1a6x s GLU 147 Cb 0.02 -0.51 -0.11 0.00 -4.31 0.00 0.00 34.13 29.22 1a6x s GLU 147 CO -0.07 0.09 1.53 0.12 0.01 0.00 0.00 175.26 176.95 1a6x s PHE 148 N -1.89 2.81 0.00 1.61 2.19 -1.26 -1.01 117.98 120.43 1a6x s PHE 148 Ca -0.01 0.91 0.00 0.00 0.33 0.00 0.00 56.93 58.16 1a6x s PHE 148 Cb -0.06 -3.99 0.00 0.00 -1.31 0.00 0.00 43.02 37.66 1a6x s PHE 148 CO 0.00 -3.22 0.00 -3.47 1.83 0.00 0.00 175.22 170.36 1a6x n ASP 149 N 1.96 0.00 -4.87 6.13 -0.08 -1.16 -5.01 116.55 113.52 1a6x n ASP 149 Ca 0.07 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 53.03 1a6x n ASP 149 Cb 0.38 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.79 1a6x n ASP 149 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1a6x s GLU 150 N -0.15 3.80 0.52 -0.67 0.41 -0.18 -4.88 118.70 117.55 1a6x s GLU 150 Ca 0.00 0.27 -0.19 0.00 -0.41 0.00 0.00 54.97 54.65 1a6x s GLU 150 Cb 0.00 -2.64 -0.07 0.00 -1.78 0.00 0.00 34.13 29.64 1a6x s GLU 150 CO 0.00 0.31 1.04 -1.25 -0.49 0.00 0.00 175.26 174.87 1a6x s PRO 151 N -2.86 3.65 0.00 0.39 0.04 -1.26 0.23 135.00 135.19 1a6x s PRO 151 Ca 0.47 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1a6x s PRO 151 Cb -0.11 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1a6x s PRO 151 CO 0.21 -0.55 0.00 1.28 0.04 0.00 0.00 177.00 177.99 1a6x n LEU 152 N -1.35 0.00 -4.34 -3.56 4.77 0.49 -4.69 117.00 108.32 1a6x n LEU 152 Ca 0.09 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.83 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 0.00 -0.50 -0.69 -1.33 0.00 0.00 177.39 175.29 1a6x s VAL 153 N 0.00 1.92 -0.23 4.08 1.01 -1.23 -1.97 120.40 123.99 1a6x s VAL 153 Ca 0.00 -1.85 -0.06 0.00 0.00 0.00 0.00 61.98 60.07 1a6x s VAL 153 Cb 0.00 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 1a6x s VAL 153 CO 0.00 -0.20 0.04 -0.69 0.00 0.00 0.00 175.10 174.24 1a6x s VAL 154 N -1.73 4.12 0.33 2.92 1.01 0.45 0.70 120.40 128.20 1a6x s VAL 154 Ca 0.14 -0.24 0.08 0.00 0.00 0.00 0.00 61.98 61.97 1a6x s VAL 154 Cb -0.07 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 1a6x s VAL 154 CO 0.07 0.38 0.12 -0.63 0.00 0.00 0.00 175.10 175.03 1a6x s ILE 155 N 1.35 3.10 -2.96 2.22 1.09 -0.39 -0.74 121.20 124.86 1a6x s ILE 155 Ca 0.05 -1.73 0.24 0.00 -1.10 0.00 0.00 60.65 58.10 1a6x s ILE 155 Cb -0.15 -2.96 0.19 0.00 -1.06 0.00 0.00 42.46 38.48 1a6x s ILE 155 CO 0.02 -0.21 1.25 1.21 -0.10 0.00 0.00 174.94 177.11