#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 0.68 -1.19 3.17 -0.58 -1.26 -4.43 120.64 117.04 1a6x n GLU 71 Ca 0.00 0.15 0.14 0.00 -0.42 0.00 0.00 57.16 57.03 1a6x n GLU 71 Cb 0.00 -2.23 -0.08 0.00 -0.57 0.00 0.00 31.44 28.56 1a6x n GLU 71 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1a6x n ALA 72 N 10.29 -3.13 -1.52 0.62 0.00 -1.26 -4.92 120.51 120.58 1a6x n ALA 72 Ca 0.48 0.78 -0.29 0.00 0.00 0.00 0.00 53.44 54.41 1a6x n ALA 72 Cb 0.18 -1.31 0.16 0.00 0.00 0.00 0.00 19.45 18.48 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 -4.09 0.66 -1.51 0.00 0.04 -1.26 -4.91 135.00 123.94 1a6x s PRO 73 Ca 0.00 0.12 -0.10 0.00 0.04 0.00 0.00 61.00 61.06 1a6x s PRO 73 Cb 0.00 -1.80 -0.00 0.00 0.04 0.00 0.00 34.50 32.74 1a6x s PRO 73 CO 0.00 -2.49 2.62 0.00 0.04 0.00 0.00 177.00 177.18 1a6x n ALA 74 N -3.93 6.87 -1.19 8.56 0.00 -1.26 -4.88 120.51 124.67 1a6x n ALA 74 Ca 0.09 -3.77 0.15 0.00 0.00 0.00 0.00 53.44 49.91 1a6x n ALA 74 Cb 0.59 -3.26 -0.07 0.00 0.00 0.00 0.00 19.45 16.71 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 3.72 -3.12 -2.99 0.00 0.00 -1.26 -4.49 120.51 112.36 1a6x n ALA 75 Ca 0.67 0.72 -0.44 0.00 0.00 0.00 0.00 53.44 54.40 1a6x n ALA 75 Cb 0.27 -1.27 -0.01 0.00 0.00 0.00 0.00 19.45 18.44 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 -3.79 3.86 -0.84 0.00 0.00 -1.26 -4.96 121.76 114.78 1a6x s ALA 76 Ca 0.00 -3.21 -0.25 0.00 0.00 0.00 0.00 51.96 48.50 1a6x s ALA 76 Cb 0.00 -4.02 -0.01 0.00 0.00 0.00 0.00 23.12 19.08 1a6x s ALA 76 CO 0.00 -2.77 1.76 -1.21 0.00 0.00 0.00 175.76 173.55 1a6x s GLU 77 N 1.62 2.84 0.13 0.00 2.02 -1.26 -4.87 118.70 119.18 1a6x s GLU 77 Ca 0.37 -0.25 0.00 0.00 0.02 0.00 0.00 54.97 55.12 1a6x s GLU 77 Cb -0.04 -4.88 0.00 0.00 0.10 0.00 0.00 34.13 29.31 1a6x s GLU 77 CO -0.04 -2.87 0.00 0.44 0.02 0.00 0.00 175.26 172.81 1a6x n ILE 78 N 7.38 0.00 -2.01 -1.63 -5.35 -1.25 -4.89 119.36 111.60 1a6x n ILE 78 Ca 0.30 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.78 1a6x n ILE 78 Cb 0.49 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.39 1a6x n ILE 78 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1a6x n SER 79 N -3.46 -1.77 -4.06 7.28 2.88 -1.25 -4.95 113.62 108.29 1a6x n SER 79 Ca 0.00 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.18 1a6x n SER 79 Cb 0.00 -0.44 0.05 0.00 -0.75 0.00 0.00 64.21 63.07 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 -0.65 -3.78 3.19 0.46 0.00 -1.25 -4.83 105.19 98.34 1a6x n GLY 80 Ca 0.00 -0.58 -0.11 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.05 -0.55 -0.32 1.61 -3.43 0.69 -4.87 115.29 106.36 1a6x s HIS 81 Ca 0.41 1.17 -0.17 0.00 -0.80 0.00 0.00 55.06 55.68 1a6x s HIS 81 Cb -0.09 0.19 -0.01 0.00 -1.43 0.00 0.00 32.58 31.23 1a6x s HIS 81 CO 0.75 -0.34 0.46 0.42 -2.00 0.00 0.00 174.74 174.03 1a6x s ILE 82 N 1.68 5.08 -0.19 -5.38 1.09 -1.26 -0.05 121.20 122.16 1a6x s ILE 82 Ca -0.07 0.37 -0.29 0.00 -1.10 0.00 0.00 60.65 59.56 1a6x s ILE 82 Cb -0.10 -3.87 -0.01 0.00 -1.06 0.00 0.00 42.46 37.42 1a6x s ILE 82 CO -0.11 -0.09 1.24 -0.69 -0.10 0.00 0.00 174.94 175.18 1a6x s VAL 83 N 2.25 4.31 -0.20 2.92 1.01 0.15 -4.88 120.40 125.96 1a6x s VAL 83 Ca 0.17 1.57 -0.08 0.00 0.00 0.00 0.00 61.98 63.64 1a6x s VAL 83 Cb -0.16 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 1a6x s VAL 83 CO 0.12 -0.19 0.08 -0.13 0.00 0.00 0.00 175.10 174.98 1a6x s ARG 84 N 3.56 3.92 -0.57 2.72 0.52 -1.26 0.19 118.95 128.02 1a6x s ARG 84 Ca 0.54 -0.37 -0.35 0.00 -0.52 0.00 0.00 55.73 55.03 1a6x s ARG 84 Cb -0.20 -3.28 -0.15 0.00 0.52 0.00 0.00 34.95 31.84 1a6x s ARG 84 CO 0.15 0.15 2.34 0.45 0.02 0.00 0.00 175.30 178.40 1a6x n SER 85 N 3.94 1.34 0.00 0.23 2.88 0.14 -4.73 113.62 117.42 1a6x n SER 85 Ca -0.16 0.30 0.11 0.00 -1.33 0.00 0.00 58.87 57.79 1a6x n SER 85 Cb 0.52 -1.13 0.67 0.00 -0.75 0.00 0.00 64.21 63.52 1a6x n SER 85 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1a6x n PRO 86 N 8.21 0.76 -3.64 -1.46 -0.04 -1.26 -3.06 135.00 134.50 1a6x n PRO 86 Ca 0.50 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.88 1a6x n PRO 86 Cb 0.15 -1.46 -0.07 0.00 -0.04 0.00 0.00 33.50 32.08 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 0.65 0.30 0.54 1.75 -1.26 -4.97 119.30 114.31 1a6x s MET 87 Ca 0.34 0.97 -0.29 0.00 -1.25 0.00 0.00 55.69 55.46 1a6x s MET 87 Cb 0.15 0.21 -0.10 0.00 2.84 0.00 0.00 34.83 37.94 1a6x s MET 87 CO 0.26 -0.11 1.32 0.08 -0.65 0.00 0.00 175.02 175.92 1a6x s VAL 88 N 1.05 2.79 0.00 10.11 1.01 -1.26 -4.64 120.40 129.46 1a6x s VAL 88 Ca -0.05 0.75 0.00 0.00 0.00 0.00 0.00 61.98 62.68 1a6x s VAL 88 Cb -0.05 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.86 1a6x s VAL 88 CO -0.12 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.76 1a6x n GLY 89 N 1.22 -0.54 3.38 4.51 0.00 -0.50 -4.78 105.19 108.48 1a6x n GLY 89 Ca 0.02 0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 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 1.43 -0.05 2.61 2.01 0.14 -0.30 115.64 121.47 1a6x s THR 90 Ca 0.00 -2.10 -0.01 0.00 0.31 0.00 0.00 61.69 59.89 1a6x s THR 90 Cb 0.00 -2.34 0.03 0.00 0.01 0.00 0.00 72.50 70.20 1a6x s THR 90 CO 0.00 -0.36 0.02 0.12 -0.69 0.00 0.00 174.62 173.71 1a6x s PHE 91 N -3.16 0.38 0.31 4.92 2.19 -0.22 -0.76 117.98 121.65 1a6x s PHE 91 Ca 0.28 0.01 0.10 0.00 0.33 0.00 0.00 56.93 57.65 1a6x s PHE 91 Cb 0.04 -0.59 -0.05 0.00 -1.31 0.00 0.00 43.02 41.11 1a6x s PHE 91 CO 0.10 -0.23 -0.03 0.71 1.83 0.00 0.00 175.22 177.60 1a6x s TYR 92 N 1.74 2.53 -0.36 10.12 2.02 0.83 0.90 117.35 135.14 1a6x s TYR 92 Ca 0.00 -0.37 0.12 0.00 -0.37 0.00 0.00 57.07 56.46 1a6x s TYR 92 Cb -0.13 -1.33 -0.15 0.00 -0.40 0.00 0.00 41.96 39.95 1a6x s TYR 92 CO -0.03 0.56 0.42 0.54 -1.57 0.00 0.00 175.55 175.46 1a6x n ARG 93 N -0.88 2.03 -4.11 -0.62 1.74 -1.26 -1.49 116.66 112.07 1a6x n ARG 93 Ca -0.05 -0.04 -0.11 0.00 -0.77 0.00 0.00 57.85 56.88 1a6x n ARG 93 Cb 0.61 -1.15 -0.11 0.00 -1.02 0.00 0.00 32.46 30.79 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 -2.41 0.54 -0.32 0.55 -4.23 -1.26 -1.35 115.64 107.16 1a6x s THR 94 Ca 0.01 -1.52 0.27 0.00 -1.18 0.00 0.00 61.69 59.27 1a6x s THR 94 Cb 0.09 -1.15 0.33 0.00 1.34 0.00 0.00 72.50 73.11 1a6x s THR 94 CO 0.50 -0.68 1.78 1.55 -0.54 0.00 0.00 174.62 177.24 1a6x h PRO 95 N 3.69 0.00 -3.56 3.99 0.13 -1.88 -3.47 132.00 130.90 1a6x h PRO 95 Ca -0.35 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.66 1a6x h PRO 95 Cb 1.18 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.26 1a6x h PRO 95 CO 0.54 0.00 0.01 -1.12 -0.23 0.00 0.00 178.00 177.20 1a6x s SER 96 N -5.41 0.31 0.13 1.44 0.01 -1.26 -5.00 113.70 103.93 1a6x s SER 96 Ca 0.05 -1.19 -0.06 0.00 1.31 0.00 0.00 55.95 56.07 1a6x s SER 96 Cb 0.08 0.72 -0.08 0.00 0.21 0.00 0.00 66.02 66.95 1a6x s SER 96 CO 0.57 -1.40 1.32 1.55 0.41 0.00 0.00 173.24 175.69 1a6x h PRO 97 N 2.09 0.48 -0.41 12.44 0.13 -1.97 -3.18 132.00 141.59 1a6x h PRO 97 Ca -0.28 -0.47 -0.11 0.00 -0.87 0.00 0.00 66.00 64.27 1a6x h PRO 97 Cb 1.25 0.12 -0.06 0.00 0.13 0.00 0.00 31.00 32.43 1a6x h PRO 97 CO 0.37 1.11 0.06 -0.25 -0.23 0.00 0.00 178.00 179.06 1a6x n ASP 98 N -3.80 3.76 -4.92 1.44 8.00 -1.26 -4.98 116.55 114.78 1a6x n ASP 98 Ca -0.07 -3.27 -0.23 0.00 0.71 0.00 0.00 54.79 51.93 1a6x n ASP 98 Cb 0.80 -0.62 -0.03 0.00 -0.02 0.00 0.00 41.12 41.25 1a6x n ASP 98 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a6x s ALA 99 N -2.99 3.85 1.11 2.24 0.00 -1.20 -5.10 121.76 119.67 1a6x s ALA 99 Ca 0.46 -1.22 -0.13 0.00 0.00 0.00 0.00 51.96 51.07 1a6x s ALA 99 Cb 0.39 -1.63 0.25 0.00 0.00 0.00 0.00 23.12 22.13 1a6x s ALA 99 CO 0.08 0.32 1.05 0.15 0.00 0.00 0.00 175.76 177.36 1a6x s LYS 100 N -3.74 -0.49 -0.09 0.00 1.02 -1.26 -4.75 119.74 110.44 1a6x s LYS 100 Ca 0.34 0.78 -0.16 0.00 0.02 0.00 0.00 55.97 56.94 1a6x s LYS 100 Cb -0.09 -1.61 -0.05 0.00 -0.52 0.00 0.00 37.83 35.56 1a6x s LYS 100 CO 0.28 -3.42 0.41 0.00 -0.92 0.00 0.00 175.35 171.70 1a6x s ALA 101 N -2.61 3.58 0.31 5.17 0.00 -1.26 -4.19 121.76 122.76 1a6x s ALA 101 Ca 0.67 -0.26 -0.01 0.00 0.00 0.00 0.00 51.96 52.36 1a6x s ALA 101 Cb -0.23 -2.50 0.51 0.00 0.00 0.00 0.00 23.12 20.90 1a6x s ALA 101 CO 0.62 0.18 1.97 0.74 0.00 0.00 0.00 175.76 179.28 1a6x h PHE 102 N 6.04 0.98 -2.47 0.00 0.04 -1.55 -3.37 116.94 116.60 1a6x h PHE 102 Ca -0.45 0.02 -0.43 0.00 2.80 0.00 0.00 57.97 59.92 1a6x h PHE 102 Cb 1.19 -0.33 -0.37 0.00 2.20 0.00 0.00 35.95 38.64 1a6x h PHE 102 CO 0.65 0.60 -0.71 0.96 -0.60 0.00 0.00 178.31 179.21 1a6x s ILE 103 N -5.87 -0.24 -0.23 -0.55 -5.25 -1.26 -4.80 121.20 103.00 1a6x s ILE 103 Ca -0.11 -0.62 -0.27 0.00 -0.99 0.00 0.00 60.65 58.66 1a6x s ILE 103 Cb 0.18 -0.98 0.00 0.00 2.95 0.00 0.00 42.46 44.61 1a6x s ILE 103 CO 0.79 -0.60 0.96 -0.70 -1.79 0.00 0.00 174.94 173.60 1a6x s GLU 104 N 2.23 4.24 -0.50 0.37 2.12 -1.26 -4.93 118.70 120.98 1a6x s GLU 104 Ca 0.09 1.21 -0.46 0.00 0.36 0.00 0.00 54.97 56.17 1a6x s GLU 104 Cb -0.15 -3.64 -0.20 0.00 0.26 0.00 0.00 34.13 30.41 1a6x s GLU 104 CO -0.35 -0.57 1.80 0.28 -0.54 0.00 0.00 175.26 175.88 1a6x n VAL 105 N 5.26 0.01 0.00 3.70 0.31 -1.26 -0.70 118.33 125.65 1a6x n VAL 105 Ca 0.09 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 1a6x n VAL 105 Cb 0.47 -0.52 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 5.28 1.13 3.68 2.92 0.00 -1.26 -5.11 105.19 111.84 1a6x n GLY 106 Ca 0.40 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.30 2.24 0.41 1.61 -0.44 0.13 -4.98 119.66 118.33 1a6x s GLN 107 Ca 0.00 -1.63 0.07 0.00 -2.50 0.00 0.00 55.36 51.31 1a6x s GLN 107 Cb 0.00 -2.07 -0.05 0.00 -1.64 0.00 0.00 33.01 29.25 1a6x s GLN 107 CO 0.00 0.14 0.20 -1.59 0.50 0.00 0.00 175.29 174.53 1a6x s LYS 108 N -3.78 2.25 -0.02 1.67 -2.85 -1.26 -2.60 119.74 113.15 1a6x s LYS 108 Ca 0.36 -1.81 -0.04 0.00 -1.00 0.00 0.00 55.97 53.48 1a6x s LYS 108 Cb -0.02 -2.02 0.00 0.00 -2.06 0.00 0.00 37.83 33.74 1a6x s LYS 108 CO 0.21 -0.12 0.10 0.14 0.10 0.00 0.00 175.35 175.78 1a6x s VAL 109 N -2.58 0.04 0.10 1.79 -7.23 0.12 -5.00 120.40 107.64 1a6x s VAL 109 Ca 0.42 -0.33 0.10 0.00 -1.81 0.00 0.00 61.98 60.35 1a6x s VAL 109 Cb 0.03 -0.25 -0.04 0.00 0.56 0.00 0.00 36.38 36.68 1a6x s VAL 109 CO 0.23 -0.18 -0.24 0.54 -0.31 0.00 0.00 175.10 175.14 1a6x s ASN 110 N -0.58 3.49 -0.56 4.85 2.20 -1.26 -0.58 114.94 122.50 1a6x s ASN 110 Ca -0.07 -0.64 -0.42 0.00 -0.94 0.00 0.00 52.86 50.79 1a6x s ASN 110 Cb -0.04 -0.36 -0.19 0.00 -2.00 0.00 0.00 41.25 38.66 1a6x s ASN 110 CO 0.00 0.20 2.21 0.52 -2.94 0.00 0.00 177.10 177.10 1a6x n VAL 111 N 1.08 0.00 0.00 3.54 0.31 -1.26 0.17 118.33 122.17 1a6x n VAL 111 Ca -0.17 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 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 7.35 1.41 3.47 2.92 0.00 -1.16 -5.00 105.19 114.18 1a6x n GLY 112 Ca 0.56 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.00 4.36 0.47 1.61 1.11 0.13 -4.91 116.67 117.44 1a6x s ASP 113 Ca 0.00 -0.19 -0.24 0.00 0.18 0.00 0.00 52.55 52.30 1a6x s ASP 113 Cb 0.00 -1.43 -0.07 0.00 1.07 0.00 0.00 42.92 42.49 1a6x s ASP 113 CO 0.00 0.24 1.42 -0.89 1.18 0.00 0.00 175.17 177.12 1a6x s THR 114 N -0.10 2.04 -0.08 -1.27 2.01 -1.26 -0.22 115.64 116.76 1a6x s THR 114 Ca -0.00 0.03 0.06 0.00 0.31 0.00 0.00 61.69 62.10 1a6x s THR 114 Cb -0.13 -3.02 -0.09 0.00 0.01 0.00 0.00 72.50 69.26 1a6x s THR 114 CO 0.03 0.00 0.01 -0.11 -0.69 0.00 0.00 174.62 173.87 1a6x n LEU 115 N -0.40 0.32 0.00 4.42 -0.00 0.15 -4.69 117.00 116.80 1a6x n LEU 115 Ca 0.06 -0.01 0.00 0.00 -0.00 0.00 0.00 56.01 56.07 1a6x n LEU 115 Cb 0.42 0.14 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 1a6x n LEU 115 CO 0.58 0.25 0.00 0.00 -0.00 0.00 0.00 177.39 178.21 1a6x s ILE 117 N -2.70 1.97 -0.05 0.00 -1.09 -0.56 -1.16 121.20 117.61 1a6x s ILE 117 Ca 0.00 -1.90 0.01 0.00 -2.23 0.00 0.00 60.65 56.52 1a6x s ILE 117 Cb 0.00 -1.90 0.02 0.00 -1.58 0.00 0.00 42.46 39.01 1a6x s ILE 117 CO 0.00 -0.22 -0.04 -0.69 -1.23 0.00 0.00 174.94 172.77 1a6x s VAL 118 N -1.81 0.50 -0.13 2.92 1.01 0.50 -0.12 120.40 123.26 1a6x s VAL 118 Ca 0.16 -0.07 -0.09 0.00 0.00 0.00 0.00 61.98 61.97 1a6x s VAL 118 Cb -0.07 -0.55 -0.05 0.00 0.00 0.00 0.00 36.38 35.72 1a6x s VAL 118 CO 0.07 0.23 0.19 -0.70 0.00 0.00 0.00 175.10 174.89 1a6x s GLU 119 N 1.10 3.76 0.24 2.72 2.12 0.06 -0.15 118.70 128.55 1a6x s GLU 119 Ca -0.08 -0.05 0.03 0.00 0.36 0.00 0.00 54.97 55.23 1a6x s GLU 119 Cb -0.14 -3.27 -0.01 0.00 0.26 0.00 0.00 34.13 30.97 1a6x s GLU 119 CO -0.01 0.60 0.12 0.00 -0.54 0.00 0.00 175.26 175.43 1a6x n ALA 120 N 2.47 0.39 -1.51 6.30 0.00 0.04 0.23 120.51 128.43 1a6x n ALA 120 Ca -0.17 -1.26 -0.27 0.00 0.00 0.00 0.00 53.44 51.74 1a6x n ALA 120 Cb 0.54 0.91 -0.19 0.00 0.00 0.00 0.00 19.45 20.70 1a6x n ALA 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a6x n MET 121 N -0.50 0.07 -4.29 0.00 0.00 -1.26 -0.92 117.12 110.21 1a6x n MET 121 Ca -0.01 -0.06 -0.33 0.00 0.00 0.00 0.00 57.70 57.30 1a6x n MET 121 Cb 0.38 -1.40 -0.09 0.00 0.00 0.00 0.00 33.22 32.11 1a6x n MET 121 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1a6x n LYS 122 N 6.64 -0.86 -3.51 3.17 4.76 -1.26 -4.91 118.16 122.19 1a6x n LYS 122 Ca 0.65 0.09 -0.03 0.00 -2.87 0.00 0.00 58.31 56.14 1a6x n LYS 122 Cb 0.14 -3.45 -0.05 0.00 -1.84 0.00 0.00 35.03 29.83 1a6x n LYS 122 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 1a6x s MET 123 N -7.40 0.48 0.01 1.97 1.75 -0.10 -5.14 119.30 110.86 1a6x s MET 123 Ca 0.06 1.13 -0.26 0.00 -1.25 0.00 0.00 55.69 55.37 1a6x s MET 123 Cb -0.03 0.49 -0.04 0.00 2.84 0.00 0.00 34.83 38.08 1a6x s MET 123 CO 1.00 -0.36 0.80 1.41 -0.65 0.00 0.00 175.02 177.22 1a6x s MET 124 N 2.77 4.50 0.17 4.11 1.75 -1.26 -0.78 119.30 130.56 1a6x s MET 124 Ca 0.03 1.10 0.06 0.00 -1.25 0.00 0.00 55.69 55.63 1a6x s MET 124 Cb -0.13 -3.41 -0.05 0.00 2.84 0.00 0.00 34.83 34.09 1a6x s MET 124 CO -0.17 0.15 -0.12 -0.80 -0.65 0.00 0.00 175.02 173.42 1a6x s ASN 125 N 0.42 2.15 0.07 1.11 0.01 0.79 -4.99 114.94 114.50 1a6x s ASN 125 Ca 0.41 -1.01 0.06 0.00 -0.71 0.00 0.00 52.86 51.61 1a6x s ASN 125 Cb -0.20 -0.07 -0.03 0.00 0.41 0.00 0.00 41.25 41.36 1a6x s ASN 125 CO 0.23 -0.26 -0.17 -1.58 -1.51 0.00 0.00 177.10 173.81 1a6x s GLN 126 N -3.68 0.98 -0.29 -0.60 0.74 -1.26 -0.37 119.66 115.17 1a6x s GLN 126 Ca 0.19 -0.99 -0.08 0.00 0.05 0.00 0.00 55.36 54.53 1a6x s GLN 126 Cb 0.01 -1.09 -0.01 0.00 1.10 0.00 0.00 33.01 33.02 1a6x s GLN 126 CO 0.03 0.25 0.12 0.42 -0.55 0.00 0.00 175.29 175.56 1a6x s ILE 127 N -1.13 4.37 -0.26 -2.34 1.01 -0.31 -4.90 121.20 117.65 1a6x s ILE 127 Ca 0.02 -0.44 -0.10 0.00 0.00 0.00 0.00 60.65 60.13 1a6x s ILE 127 Cb -0.10 -3.20 -0.05 0.00 0.01 0.00 0.00 42.46 39.13 1a6x s ILE 127 CO 0.03 0.13 0.15 -1.83 0.00 0.00 0.00 174.94 173.41 1a6x s GLU 128 N 1.58 3.92 0.10 2.79 1.03 -1.26 0.30 118.70 127.16 1a6x s GLU 128 Ca 0.04 -0.34 -0.35 0.00 0.03 0.00 0.00 54.97 54.35 1a6x s GLU 128 Cb -0.17 -3.54 -0.18 0.00 -0.80 0.00 0.00 34.13 29.45 1a6x s GLU 128 CO 0.05 -0.09 1.03 0.00 -1.33 0.00 0.00 175.26 174.92 1a6x n ALA 129 N 4.74 -2.35 -0.62 -0.84 0.00 0.70 -4.84 120.51 117.30 1a6x n ALA 129 Ca -0.15 0.52 0.07 0.00 0.00 0.00 0.00 53.44 53.88 1a6x n ALA 129 Cb 0.52 -1.85 0.18 0.00 0.00 0.00 0.00 19.45 18.30 1a6x n ALA 129 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1a6x n ASP 130 N 1.87 3.18 -3.04 0.00 5.68 -1.26 -2.97 116.55 120.01 1a6x n ASP 130 Ca 0.18 -2.57 0.04 0.00 -0.50 0.00 0.00 54.79 51.94 1a6x n ASP 130 Cb 0.17 -0.37 0.00 0.00 -1.14 0.00 0.00 41.12 39.79 1a6x n ASP 130 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1a6x s LYS 131 N -2.01 0.15 0.05 0.11 2.20 -1.26 -4.99 119.74 113.99 1a6x s LYS 131 Ca 0.30 0.07 -0.35 0.00 -0.36 0.00 0.00 55.97 55.63 1a6x s LYS 131 Cb 0.22 0.05 -0.18 0.00 -1.51 0.00 0.00 37.83 36.41 1a6x s LYS 131 CO 0.10 -0.26 0.88 -1.13 -0.36 0.00 0.00 175.35 174.58 1a6x n SER 132 N 4.68 -0.34 -1.38 1.43 3.41 -1.26 -4.83 113.62 115.33 1a6x n SER 132 Ca 0.08 1.11 -0.01 0.00 -0.26 0.00 0.00 58.87 59.79 1a6x n SER 132 Cb 0.59 -0.89 0.00 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 1.58 1.46 3.25 5.00 0.00 0.25 -4.90 105.19 111.83 1a6x n GLY 133 Ca 0.19 -1.00 -0.22 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.64 1.53 1.00 2.61 2.01 -1.26 -0.70 115.64 118.19 1a6x s THR 134 Ca 0.04 -1.43 -0.17 0.00 0.31 0.00 0.00 61.69 60.43 1a6x s THR 134 Cb -0.01 -1.40 -0.13 0.00 0.01 0.00 0.00 72.50 70.97 1a6x s THR 134 CO 0.02 -0.07 -0.75 0.55 -0.69 0.00 0.00 174.62 173.68 1a6x n VAL 135 N 1.24 0.00 0.00 3.82 3.14 -1.07 0.19 118.33 125.64 1a6x n VAL 135 Ca -0.20 -0.43 0.00 0.00 -2.96 0.00 0.00 64.34 60.75 1a6x n VAL 135 Cb 0.54 -0.06 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 2.07 0.00 0.00 1.45 4.81 -0.27 -3.67 118.16 122.55 1a6x n LYS 136 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 1a6x n LYS 136 Cb 0.57 -0.07 0.00 0.00 0.02 0.00 0.00 35.03 35.55 1a6x n LYS 136 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1a6x n ALA 137 N -2.14 0.00 -2.77 3.14 0.00 0.12 -4.96 120.51 113.90 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 -0.25 4.74 -0.02 0.00 1.09 -1.26 0.20 121.20 125.69 1a6x s ILE 138 Ca 0.00 -0.62 -0.16 0.00 -1.10 0.00 0.00 60.65 58.78 1a6x s ILE 138 Cb 0.00 -3.54 -0.33 0.00 -1.06 0.00 0.00 42.46 37.53 1a6x s ILE 138 CO 0.00 -0.12 0.84 -0.07 -0.10 0.00 0.00 174.94 175.50 1a6x h LEU 139 N 8.43 0.67-10.05 2.97 3.38 -1.30 -3.46 115.31 115.96 1a6x h LEU 139 Ca -0.29 -0.92 -0.45 0.00 0.09 0.00 0.00 57.88 56.31 1a6x h LEU 139 Cb 1.13 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 1a6x h LEU 139 CO 0.65 1.67 0.28 0.54 0.09 0.00 0.00 178.44 181.67 1a6x s VAL 140 N -2.55 4.46 0.22 1.22 0.11 0.21 -5.03 120.40 119.04 1a6x s VAL 140 Ca -0.13 1.36 0.06 0.00 -2.93 0.00 0.00 61.98 60.34 1a6x s VAL 140 Cb 0.04 -3.61 -0.04 0.00 -1.53 0.00 0.00 36.38 31.24 1a6x s VAL 140 CO 0.88 -0.28 0.19 -1.61 -3.33 0.00 0.00 175.10 170.95 1a6x s GLU 141 N -3.12 2.96 -0.75 1.54 0.41 -1.26 -4.95 118.70 113.53 1a6x s GLU 141 Ca 0.60 -0.96 -0.26 0.00 -0.41 0.00 0.00 54.97 53.94 1a6x s GLU 141 Cb -0.09 -2.62 -0.03 0.00 -1.78 0.00 0.00 34.13 29.60 1a6x s GLU 141 CO 0.14 0.43 1.91 -1.54 -0.49 0.00 0.00 175.26 175.72 1a6x s SER 142 N -3.58 5.19 0.00 -0.19 1.04 -1.26 -1.95 113.70 112.95 1a6x s SER 142 Ca 0.32 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.60 1a6x s SER 142 Cb -0.09 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.49 1a6x s SER 142 CO 0.25 -2.57 0.00 0.61 0.98 0.00 0.00 173.24 172.51 1a6x n GLY 143 N 6.27 1.73 3.57 7.32 0.00 0.26 -4.82 105.19 119.53 1a6x n GLY 143 Ca 0.30 -0.42 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 1a6x n GLY 143 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1a6x n GLN 144 N 0.00 0.62 -1.55 1.61 7.27 -0.82 -4.39 117.38 120.11 1a6x n GLN 144 Ca 0.00 0.26 -0.29 0.00 0.07 0.00 0.00 57.00 57.03 1a6x n GLN 144 Cb 0.00 -2.08 0.11 0.00 2.41 0.00 0.00 30.24 30.68 1a6x n GLN 144 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1a6x s PRO 145 N -2.89 1.65 0.06 3.69 0.04 -1.26 -1.05 135.00 135.23 1a6x s PRO 145 Ca 0.73 0.47 -0.06 0.00 0.04 0.00 0.00 61.00 62.19 1a6x s PRO 145 Cb -0.38 -1.88 -0.01 0.00 0.04 0.00 0.00 34.50 32.26 1a6x s PRO 145 CO 0.50 -1.88 0.10 0.14 0.04 0.00 0.00 177.00 175.90 1a6x s VAL 146 N -3.22 0.16 0.09 -0.36 -7.23 0.59 -4.71 120.40 105.72 1a6x s VAL 146 Ca 0.62 -1.28 0.03 0.00 -1.81 0.00 0.00 61.98 59.55 1a6x s VAL 146 Cb -0.15 -1.18 -0.04 0.00 0.56 0.00 0.00 36.38 35.58 1a6x s VAL 146 CO 0.54 -0.70 -0.10 -1.61 -0.31 0.00 0.00 175.10 172.92 1a6x s GLU 147 N -3.29 0.82 0.27 4.82 2.02 -1.26 -1.41 118.70 120.66 1a6x s GLU 147 Ca 0.01 -1.14 -0.30 0.00 0.02 0.00 0.00 54.97 53.56 1a6x s GLU 147 Cb 0.03 -0.49 -0.11 0.00 0.10 0.00 0.00 34.13 33.66 1a6x s GLU 147 CO -0.08 0.07 1.52 0.12 0.02 0.00 0.00 175.26 176.91 1a6x s PHE 148 N -2.44 2.89 0.00 1.61 2.19 -1.25 -1.10 117.98 119.88 1a6x s PHE 148 Ca 0.05 0.89 0.00 0.00 0.33 0.00 0.00 56.93 58.20 1a6x s PHE 148 Cb -0.03 -3.95 0.00 0.00 -1.31 0.00 0.00 43.02 37.73 1a6x s PHE 148 CO -0.00 -3.15 0.00 -3.47 1.83 0.00 0.00 175.22 170.43 1a6x n ASP 149 N 2.30 0.00 -4.86 6.13 2.03 -1.17 -5.00 116.55 115.98 1a6x n ASP 149 Ca 0.08 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 55.06 1a6x n ASP 149 Cb 0.39 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.73 1a6x n ASP 149 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1a6x s GLU 150 N -0.18 3.95 0.72 -0.67 0.41 -0.25 -4.89 118.70 117.79 1a6x s GLU 150 Ca 0.00 0.53 -0.11 0.00 -0.41 0.00 0.00 54.97 54.98 1a6x s GLU 150 Cb 0.00 -2.56 0.03 0.00 -1.78 0.00 0.00 34.13 29.82 1a6x s GLU 150 CO 0.00 0.24 1.07 -1.25 -0.49 0.00 0.00 175.26 174.83 1a6x s PRO 151 N -2.82 2.70 0.00 0.39 0.04 -1.26 0.26 135.00 134.30 1a6x s PRO 151 Ca 0.50 0.86 0.00 0.00 0.04 0.00 0.00 61.00 62.41 1a6x s PRO 151 Cb -0.11 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1a6x s PRO 151 CO 0.19 -1.25 0.00 1.28 0.04 0.00 0.00 177.00 177.26 1a6x n LEU 152 N -3.22 0.00 -4.26 -3.56 4.77 0.50 -4.57 117.00 106.66 1a6x n LEU 152 Ca 0.07 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.79 1a6x n LEU 152 Cb 0.54 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.49 1a6x n LEU 152 CO 0.56 0.00 -0.53 -0.69 -1.33 0.00 0.00 177.39 175.40 1a6x s VAL 153 N 0.00 1.74 -0.20 4.08 1.01 -1.20 -0.62 120.40 125.21 1a6x s VAL 153 Ca 0.00 -1.20 -0.07 0.00 0.00 0.00 0.00 61.98 60.72 1a6x s VAL 153 Cb 0.00 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 1a6x s VAL 153 CO 0.00 0.26 0.04 -0.69 0.00 0.00 0.00 175.10 174.71 1a6x s VAL 154 N -0.77 4.39 0.29 2.92 1.01 0.52 0.34 120.40 129.11 1a6x s VAL 154 Ca 0.08 -0.16 0.08 0.00 0.00 0.00 0.00 61.98 61.98 1a6x s VAL 154 Cb -0.09 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 1a6x s VAL 154 CO 0.02 0.42 0.15 -0.63 0.00 0.00 0.00 175.10 175.05 1a6x s ILE 155 N 0.87 3.64 -2.40 2.22 -1.09 0.92 -0.70 121.20 124.66 1a6x s ILE 155 Ca 0.03 -1.61 0.19 0.00 -2.23 0.00 0.00 60.65 57.03 1a6x s ILE 155 Cb -0.14 -3.10 0.15 0.00 -1.58 0.00 0.00 42.46 37.79 1a6x s ILE 155 CO 0.02 -0.28 1.11 1.21 -1.23 0.00 0.00 174.94 175.77