#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 0.53 -2.58 2.12 4.71 -1.26 -3.57 120.64 120.60 1a6x n GLU 71 Ca 0.00 0.19 -0.06 0.00 -0.01 0.00 0.00 57.16 57.28 1a6x n GLU 71 Cb 0.00 -1.39 0.01 0.00 -1.01 0.00 0.00 31.44 29.04 1a6x n GLU 71 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1a6x n ALA 72 N 0.36 -3.05 -0.95 0.62 0.00 -1.26 -4.79 120.51 111.43 1a6x n ALA 72 Ca 0.15 0.91 -0.26 0.00 0.00 0.00 0.00 53.44 54.24 1a6x n ALA 72 Cb 0.26 -2.87 -0.04 0.00 0.00 0.00 0.00 19.45 16.80 1a6x n ALA 72 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1a6x n PRO 73 N -0.25 2.60 -1.54 0.00 -0.04 -1.23 -4.88 135.00 129.66 1a6x n PRO 73 Ca 0.09 -1.64 -0.38 0.00 -0.04 0.00 0.00 63.50 61.53 1a6x n PRO 73 Cb 0.34 -2.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.25 1a6x n PRO 73 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a6x n ALA 74 N 3.76 0.83 -2.13 0.55 0.00 -1.26 -4.91 120.51 117.35 1a6x n ALA 74 Ca 0.56 -0.76 -0.20 0.00 0.00 0.00 0.00 53.44 53.04 1a6x n ALA 74 Cb 0.24 -3.04 0.01 0.00 0.00 0.00 0.00 19.45 16.66 1a6x n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a6x s ALA 75 N 11.27 4.42 -0.75 0.00 0.00 -1.26 -4.76 121.76 130.68 1a6x s ALA 75 Ca 1.04 -1.80 -0.02 0.00 0.00 0.00 0.00 51.96 51.18 1a6x s ALA 75 Cb -0.35 -1.28 -0.02 0.00 0.00 0.00 0.00 23.12 21.46 1a6x s ALA 75 CO 0.31 -0.43 0.69 0.00 0.00 0.00 0.00 175.76 176.33 1a6x n ALA 76 N -1.85 -2.36 -3.42 0.00 0.00 -1.26 -5.04 120.51 106.57 1a6x n ALA 76 Ca 0.07 0.04 -0.01 0.00 0.00 0.00 0.00 53.44 53.54 1a6x n ALA 76 Cb 0.61 -2.56 -0.04 0.00 0.00 0.00 0.00 19.45 17.46 1a6x n ALA 76 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1a6x s GLU 77 N -3.39 0.51 0.52 0.00 2.12 -1.26 -5.13 118.70 112.07 1a6x s GLU 77 Ca 0.13 1.11 0.00 0.00 0.36 0.00 0.00 54.97 56.56 1a6x s GLU 77 Cb -0.02 0.50 0.00 0.00 0.26 0.00 0.00 34.13 34.87 1a6x s GLU 77 CO 0.67 -0.42 0.00 1.51 -0.54 0.00 0.00 175.26 176.48 1a6x n ILE 78 N 5.42 0.00 0.00 -3.70 0.13 -1.26 -4.75 119.36 115.20 1a6x n ILE 78 Ca -0.06 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.59 1a6x n ILE 78 Cb 0.50 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.30 1a6x n ILE 78 CO 0.00 0.00 0.00 -1.20 2.80 0.00 0.00 176.55 178.15 1a6x n SER 79 N -3.77 0.00 -4.20 9.51 7.64 -1.26 -4.99 113.62 116.55 1a6x n SER 79 Ca 0.00 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.53 1a6x n SER 79 Cb 0.00 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.29 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 0.00 -3.20 3.38 0.23 0.00 -1.26 -4.89 105.19 99.45 1a6x n GLY 80 Ca 0.00 -0.71 -0.19 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.19 1.78 -0.11 1.61 -3.43 0.11 -4.88 115.29 108.19 1a6x s HIS 81 Ca 0.48 -0.68 0.01 0.00 -0.80 0.00 0.00 55.06 54.07 1a6x s HIS 81 Cb -0.16 -0.95 0.02 0.00 -1.43 0.00 0.00 32.58 30.06 1a6x s HIS 81 CO 0.73 0.26 -0.14 0.42 -2.00 0.00 0.00 174.74 174.02 1a6x s ILE 82 N -3.06 1.40 -0.29 -5.38 -1.09 -1.26 0.07 121.20 111.59 1a6x s ILE 82 Ca 0.26 -0.57 -0.16 0.00 -2.23 0.00 0.00 60.65 57.95 1a6x s ILE 82 Cb 0.02 -1.30 -0.03 0.00 -1.58 0.00 0.00 42.46 39.57 1a6x s ILE 82 CO 0.09 0.42 0.42 -0.69 -1.23 0.00 0.00 174.94 173.96 1a6x s VAL 83 N 1.16 5.13 -0.15 2.92 1.01 -0.17 -4.98 120.40 125.31 1a6x s VAL 83 Ca -0.04 0.53 -0.04 0.00 0.00 0.00 0.00 61.98 62.44 1a6x s VAL 83 Cb -0.14 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1a6x s VAL 83 CO -0.04 0.05 -0.04 -0.13 0.00 0.00 0.00 175.10 174.94 1a6x s ARG 84 N 2.16 3.66 -0.48 2.72 0.52 -1.26 0.19 118.95 126.46 1a6x s ARG 84 Ca 0.16 -0.52 -0.33 0.00 -0.52 0.00 0.00 55.73 54.52 1a6x s ARG 84 Cb -0.16 -2.90 -0.12 0.00 0.52 0.00 0.00 34.95 32.29 1a6x s ARG 84 CO 0.11 0.25 2.31 -1.13 0.02 0.00 0.00 175.30 176.86 1a6x n SER 85 N 3.51 1.84 0.00 0.23 3.41 0.14 -4.74 113.62 118.00 1a6x n SER 85 Ca -0.17 0.21 0.12 0.00 -0.26 0.00 0.00 58.87 58.76 1a6x n SER 85 Cb 0.52 -1.26 0.68 0.00 -0.26 0.00 0.00 64.21 63.90 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 8.38 0.75 -3.67 4.33 -0.04 -1.26 -3.01 135.00 140.49 1a6x n PRO 86 Ca 0.45 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.82 1a6x n PRO 86 Cb 0.25 -1.48 -0.09 0.00 -0.04 0.00 0.00 33.50 32.14 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 0.53 0.34 0.54 -1.94 -1.26 -4.96 119.30 110.54 1a6x s MET 87 Ca 0.35 1.02 -0.29 0.00 -1.71 0.00 0.00 55.69 55.06 1a6x s MET 87 Cb 0.16 0.11 -0.10 0.00 2.01 0.00 0.00 34.83 37.00 1a6x s MET 87 CO 0.27 -0.16 1.37 0.08 -0.01 0.00 0.00 175.02 176.56 1a6x s VAL 88 N 1.65 2.51 0.00 -6.03 1.01 -1.26 -4.67 120.40 113.61 1a6x s VAL 88 Ca -0.09 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.40 1a6x s VAL 88 Cb -0.07 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1a6x s VAL 88 CO -0.16 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.67 1a6x n GLY 89 N 0.78 -0.53 3.50 4.51 0.00 -0.54 -4.77 105.19 108.13 1a6x n GLY 89 Ca 0.01 0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 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 1.42 -0.01 2.61 2.01 0.11 -0.13 115.64 121.64 1a6x s THR 90 Ca 0.00 -2.00 -0.02 0.00 0.31 0.00 0.00 61.69 59.98 1a6x s THR 90 Cb 0.00 -2.85 -0.00 0.00 0.01 0.00 0.00 72.50 69.66 1a6x s THR 90 CO 0.00 0.00 0.04 0.12 -0.69 0.00 0.00 174.62 174.09 1a6x s PHE 91 N -3.13 0.02 0.07 4.92 2.19 0.18 -0.69 117.98 121.53 1a6x s PHE 91 Ca 0.36 -0.03 0.02 0.00 0.33 0.00 0.00 56.93 57.61 1a6x s PHE 91 Cb 0.09 -0.03 -0.03 0.00 -1.31 0.00 0.00 43.02 41.73 1a6x s PHE 91 CO 0.16 -0.09 -0.07 0.71 1.83 0.00 0.00 175.22 177.76 1a6x s TYR 92 N -0.44 0.76 -0.40 10.12 2.02 0.11 0.01 117.35 129.53 1a6x s TYR 92 Ca -0.05 -0.73 0.20 0.00 -0.37 0.00 0.00 57.07 56.12 1a6x s TYR 92 Cb -0.03 -0.45 -0.28 0.00 -0.40 0.00 0.00 41.96 40.80 1a6x s TYR 92 CO -0.00 -0.13 0.61 0.54 -1.57 0.00 0.00 175.55 175.00 1a6x n ARG 93 N 0.66 0.54 -4.17 -0.62 5.12 -1.26 -1.41 116.66 115.52 1a6x n ARG 93 Ca -0.17 -0.11 -0.14 0.00 -1.93 0.00 0.00 57.85 55.50 1a6x n ARG 93 Cb 0.58 -1.47 -0.11 0.00 -1.16 0.00 0.00 32.46 30.30 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 -3.20 0.89 0.03 0.55 -4.23 -1.26 -1.39 115.64 107.03 1a6x s THR 94 Ca -0.01 -1.64 0.19 0.00 -1.18 0.00 0.00 61.69 59.04 1a6x s THR 94 Cb 0.14 -1.35 0.13 0.00 1.34 0.00 0.00 72.50 72.76 1a6x s THR 94 CO 0.84 -0.58 1.64 1.55 -0.54 0.00 0.00 174.62 177.53 1a6x h PRO 95 N 3.55 0.00 -4.05 3.99 0.13 -1.90 -3.47 132.00 130.24 1a6x h PRO 95 Ca -0.37 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.51 1a6x h PRO 95 Cb 1.19 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.24 1a6x h PRO 95 CO 0.54 0.38 -0.17 0.45 -0.23 0.00 0.00 178.00 178.97 1a6x s SER 96 N -6.38 0.81 -0.01 1.44 0.15 -1.26 -5.06 113.70 103.39 1a6x s SER 96 Ca 0.02 -1.44 -0.21 0.00 0.70 0.00 0.00 55.95 55.02 1a6x s SER 96 Cb 0.09 0.66 -0.22 0.00 -1.71 0.00 0.00 66.02 64.85 1a6x s SER 96 CO 0.70 -1.30 1.12 1.55 1.20 0.00 0.00 173.24 176.50 1a6x h PRO 97 N 2.12 0.34 -1.84 5.44 0.13 -1.98 -3.28 132.00 132.92 1a6x h PRO 97 Ca -0.28 -0.33 -0.71 0.00 -0.87 0.00 0.00 66.00 63.81 1a6x h PRO 97 Cb 1.24 0.08 -0.26 0.00 0.13 0.00 0.00 31.00 32.20 1a6x h PRO 97 CO 0.39 1.00 0.94 -0.40 -0.23 0.00 0.00 178.00 179.70 1a6x n ASP 98 N -4.35 7.40 -4.19 1.44 5.68 -1.26 -4.92 116.55 116.36 1a6x n ASP 98 Ca -0.09 -3.73 -0.15 0.00 -0.50 0.00 0.00 54.79 50.31 1a6x n ASP 98 Cb 0.58 -1.08 -0.11 0.00 -1.14 0.00 0.00 41.12 39.37 1a6x n ASP 98 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1a6x s ALA 99 N -3.68 1.19 0.99 2.12 0.00 -1.24 -5.15 121.76 115.99 1a6x s ALA 99 Ca 0.54 -1.21 -0.12 0.00 0.00 0.00 0.00 51.96 51.18 1a6x s ALA 99 Cb 0.44 0.01 0.19 0.00 0.00 0.00 0.00 23.12 23.75 1a6x s ALA 99 CO -0.32 -0.01 1.08 0.15 0.00 0.00 0.00 175.76 176.66 1a6x s LYS 100 N -2.77 0.46 0.02 0.00 3.01 -1.26 -4.84 119.74 114.36 1a6x s LYS 100 Ca 0.06 0.85 -0.22 0.00 -1.01 0.00 0.00 55.97 55.65 1a6x s LYS 100 Cb -0.03 -1.71 -0.05 0.00 -1.01 0.00 0.00 37.83 35.02 1a6x s LYS 100 CO 0.01 -2.80 0.66 0.00 0.51 0.00 0.00 175.35 173.73 1a6x s ALA 101 N -2.78 3.44 0.27 5.17 0.00 -1.26 -4.48 121.76 122.13 1a6x s ALA 101 Ca 0.66 0.13 -0.01 0.00 0.00 0.00 0.00 51.96 52.74 1a6x s ALA 101 Cb -0.21 -2.84 0.47 0.00 0.00 0.00 0.00 23.12 20.54 1a6x s ALA 101 CO 0.59 0.14 1.86 0.74 0.00 0.00 0.00 175.76 179.09 1a6x h PHE 102 N 5.58 1.18 -2.84 0.00 0.04 -1.56 -3.28 116.94 116.06 1a6x h PHE 102 Ca -0.45 0.03 -0.61 0.00 2.80 0.00 0.00 57.97 59.75 1a6x h PHE 102 Cb 1.20 -0.38 -0.40 0.00 2.20 0.00 0.00 35.95 38.57 1a6x h PHE 102 CO 0.65 0.55 -0.76 0.42 -0.60 0.00 0.00 178.31 178.58 1a6x s ILE 103 N -6.01 1.54 -0.18 -0.55 -1.09 -1.26 -4.85 121.20 108.80 1a6x s ILE 103 Ca -0.12 -3.09 -0.29 0.00 -2.23 0.00 0.00 60.65 54.92 1a6x s ILE 103 Cb 0.21 -2.05 -0.04 0.00 -1.58 0.00 0.00 42.46 39.00 1a6x s ILE 103 CO 0.81 -1.02 1.86 -0.70 -1.23 0.00 0.00 174.94 174.66 1a6x s GLU 104 N -0.26 3.65 -0.50 2.79 2.12 -1.24 -4.83 118.70 120.42 1a6x s GLU 104 Ca 0.24 1.93 -0.46 0.00 0.36 0.00 0.00 54.97 57.04 1a6x s GLU 104 Cb -0.11 -4.16 -0.20 0.00 0.26 0.00 0.00 34.13 29.92 1a6x s GLU 104 CO -0.10 -1.49 1.75 0.28 -0.54 0.00 0.00 175.26 175.16 1a6x n VAL 105 N 6.68 0.00 0.00 3.70 0.31 -1.26 -0.10 118.33 127.66 1a6x n VAL 105 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.55 1a6x n VAL 105 Cb 0.44 -0.50 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 4.99 1.11 3.75 2.92 0.00 -1.26 -5.10 105.19 111.60 1a6x n GLY 106 Ca 0.38 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.37 2.25 0.19 1.61 0.74 0.86 -5.01 119.66 119.93 1a6x s GLN 107 Ca 0.00 -1.82 0.11 0.00 0.05 0.00 0.00 55.36 53.70 1a6x s GLN 107 Cb 0.00 -2.01 -0.04 0.00 1.10 0.00 0.00 33.01 32.06 1a6x s GLN 107 CO 0.00 -0.12 -0.22 0.21 -0.55 0.00 0.00 175.29 174.61 1a6x s LYS 108 N -3.92 1.61 0.03 1.67 2.47 -1.26 -2.98 119.74 117.36 1a6x s LYS 108 Ca 0.42 -1.50 0.02 0.00 -1.56 0.00 0.00 55.97 53.35 1a6x s LYS 108 Cb 0.03 -1.89 -0.02 0.00 -1.46 0.00 0.00 37.83 34.49 1a6x s LYS 108 CO 0.23 0.40 -0.08 0.14 0.16 0.00 0.00 175.35 176.20 1a6x s VAL 109 N -1.71 0.58 0.08 4.02 -7.23 -0.26 -5.01 120.40 110.86 1a6x s VAL 109 Ca 0.22 -0.83 0.08 0.00 -1.81 0.00 0.00 61.98 59.63 1a6x s VAL 109 Cb -0.08 -0.59 -0.03 0.00 0.56 0.00 0.00 36.38 36.24 1a6x s VAL 109 CO 0.11 -0.20 -0.20 0.21 -0.31 0.00 0.00 175.10 174.71 1a6x s ASN 110 N -1.12 2.47 -0.51 4.85 2.47 -1.26 -0.84 114.94 121.00 1a6x s ASN 110 Ca -0.05 -0.62 -0.43 0.00 0.42 0.00 0.00 52.86 52.18 1a6x s ASN 110 Cb -0.07 -0.16 -0.19 0.00 -1.45 0.00 0.00 41.25 39.38 1a6x s ASN 110 CO 0.00 0.09 2.16 0.55 -3.72 0.00 0.00 177.10 176.19 1a6x n VAL 111 N 1.39 0.01 0.00 -5.21 3.14 -1.26 0.16 118.33 116.55 1a6x n VAL 111 Ca -0.19 -0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.18 1a6x n VAL 111 Cb 0.53 -0.54 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 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 7.44 1.42 3.80 7.55 0.00 -1.23 -5.01 105.19 119.15 1a6x n GLY 112 Ca 0.55 0.00 -0.37 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 -1.44 6.64 1.00 1.61 1.11 0.12 -4.86 116.67 120.86 1a6x s ASP 113 Ca 0.00 0.76 -0.16 0.00 0.18 0.00 0.00 52.55 53.33 1a6x s ASP 113 Cb 0.00 -2.21 0.08 0.00 1.07 0.00 0.00 42.92 41.85 1a6x s ASP 113 CO 0.00 0.23 -0.11 0.41 1.18 0.00 0.00 175.17 176.88 1a6x n THR 114 N 2.57 0.00 0.00 -1.27 -1.04 -1.26 -0.18 114.28 113.10 1a6x n THR 114 Ca -0.13 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 61.77 1a6x n THR 114 Cb 0.52 -0.40 0.00 0.00 -1.82 0.00 0.00 70.33 68.63 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 -0.25 0.11 0.00 -4.42 7.94 0.50 -4.04 117.00 116.83 1a6x n LEU 115 Ca 0.02 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 54.93 1a6x n LEU 115 Cb 0.47 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.42 1a6x n LEU 115 CO 0.33 -0.26 0.32 0.00 -1.11 0.00 0.00 177.39 176.67 1a6x s ILE 117 N -2.13 1.28 -0.03 0.00 1.01 -0.50 -0.08 121.20 120.75 1a6x s ILE 117 Ca 0.09 -1.52 0.01 0.00 0.00 0.00 0.00 60.65 59.23 1a6x s ILE 117 Cb -0.00 -1.34 0.02 0.00 0.01 0.00 0.00 42.46 41.15 1a6x s ILE 117 CO -0.00 -0.29 -0.04 -0.69 0.00 0.00 0.00 174.94 173.92 1a6x s VAL 118 N -1.65 0.44 -0.07 2.92 1.01 0.63 0.04 120.40 123.73 1a6x s VAL 118 Ca 0.04 -0.11 -0.06 0.00 0.00 0.00 0.00 61.98 61.85 1a6x s VAL 118 Cb -0.08 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 1a6x s VAL 118 CO 0.03 0.19 0.18 -0.70 0.00 0.00 0.00 175.10 174.79 1a6x s GLU 119 N 0.69 3.48 0.22 2.72 2.12 0.13 -0.59 118.70 127.47 1a6x s GLU 119 Ca -0.09 -0.15 0.05 0.00 0.36 0.00 0.00 54.97 55.14 1a6x s GLU 119 Cb -0.12 -3.15 -0.02 0.00 0.26 0.00 0.00 34.13 31.10 1a6x s GLU 119 CO -0.00 0.73 0.16 0.00 -0.54 0.00 0.00 175.26 175.61 1a6x n ALA 120 N 1.58 0.44 -1.33 6.30 0.00 0.53 0.03 120.51 128.07 1a6x n ALA 120 Ca -0.16 -1.26 -0.26 0.00 0.00 0.00 0.00 53.44 51.76 1a6x n ALA 120 Cb 0.54 0.99 -0.18 0.00 0.00 0.00 0.00 19.45 20.80 1a6x n ALA 120 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1a6x n MET 121 N -0.44 0.00 -4.15 0.00 2.81 -1.26 -0.36 117.12 113.72 1a6x n MET 121 Ca 0.03 0.00 -0.44 0.00 -1.81 0.00 0.00 57.70 55.49 1a6x n MET 121 Cb 0.39 -1.06 -0.01 0.00 -0.71 0.00 0.00 33.22 31.83 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 5.91 -0.36 -3.53 0.03 0.00 -1.26 -4.92 118.16 114.03 1a6x n LYS 122 Ca 0.60 0.06 -0.16 0.00 0.00 0.00 0.00 58.31 58.80 1a6x n LYS 122 Cb 0.09 -2.69 -0.06 0.00 0.00 0.00 0.00 35.03 32.37 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 -7.48 0.96 -0.08 1.64 -1.94 0.51 -5.16 119.30 107.74 1a6x s MET 123 Ca 0.38 0.23 0.04 0.00 -1.71 0.00 0.00 55.69 54.63 1a6x s MET 123 Cb -0.21 0.45 -0.01 0.00 2.01 0.00 0.00 34.83 37.07 1a6x s MET 123 CO 0.98 -0.30 -0.22 0.00 -0.01 0.00 0.00 175.02 175.47 1a6x s MET 124 N -1.20 2.77 0.08 2.03 0.23 -1.26 -0.35 119.30 121.60 1a6x s MET 124 Ca -0.09 -0.84 0.05 0.00 -1.03 0.00 0.00 55.69 53.78 1a6x s MET 124 Cb -0.00 -2.28 -0.03 0.00 -1.53 0.00 0.00 34.83 30.98 1a6x s MET 124 CO 0.08 0.35 -0.14 -0.80 -2.03 0.00 0.00 175.02 172.47 1a6x s ASN 125 N -0.06 1.79 0.15 -1.18 0.01 0.24 -5.00 114.94 110.88 1a6x s ASN 125 Ca -0.06 -0.67 0.08 0.00 -0.71 0.00 0.00 52.86 51.50 1a6x s ASN 125 Cb -0.15 -0.06 -0.04 0.00 0.41 0.00 0.00 41.25 41.42 1a6x s ASN 125 CO 0.05 -0.09 -0.11 -1.10 -1.51 0.00 0.00 177.10 174.33 1a6x s GLN 126 N -1.99 2.02 -0.23 -0.60 -0.21 -1.26 -0.27 119.66 117.12 1a6x s GLN 126 Ca 0.01 -1.18 -0.02 0.00 0.02 0.00 0.00 55.36 54.19 1a6x s GLN 126 Cb -0.09 -2.19 0.02 0.00 1.00 0.00 0.00 33.01 31.75 1a6x s GLN 126 CO 0.02 0.46 -0.07 0.42 -2.12 0.00 0.00 175.29 174.00 1a6x s ILE 127 N -1.45 2.87 -0.17 1.08 1.01 0.89 -4.91 121.20 120.52 1a6x s ILE 127 Ca 0.22 -0.91 -0.10 0.00 0.00 0.00 0.00 60.65 59.87 1a6x s ILE 127 Cb -0.10 -2.40 -0.05 0.00 0.01 0.00 0.00 42.46 39.93 1a6x s ILE 127 CO 0.14 0.29 0.16 -0.70 0.00 0.00 0.00 174.94 174.82 1a6x s GLU 128 N 1.35 3.98 0.31 2.79 -6.30 -1.26 0.19 118.70 119.76 1a6x s GLU 128 Ca 0.02 -0.14 -0.28 0.00 -2.50 0.00 0.00 54.97 52.07 1a6x s GLU 128 Cb -0.16 -3.35 -0.13 0.00 0.00 0.00 0.00 34.13 30.49 1a6x s GLU 128 CO -0.05 0.44 1.05 0.00 0.02 0.00 0.00 175.26 176.71 1a6x n ALA 129 N 3.06 0.04 -0.81 6.30 0.00 0.75 -4.84 120.51 125.01 1a6x n ALA 129 Ca -0.17 0.37 0.05 0.00 0.00 0.00 0.00 53.44 53.70 1a6x n ALA 129 Cb 0.53 -2.06 0.08 0.00 0.00 0.00 0.00 19.45 17.99 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 1.09 1.91 -3.07 0.00 -0.08 -1.26 -3.57 116.55 111.58 1a6x n ASP 130 Ca 0.09 -2.54 0.05 0.00 -1.51 0.00 0.00 54.79 50.87 1a6x n ASP 130 Cb 0.33 -0.25 0.00 0.00 2.34 0.00 0.00 41.12 43.54 1a6x n ASP 130 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 1a6x s LYS 131 N -1.88 0.16 0.27 -0.67 2.20 -1.26 -4.99 119.74 113.57 1a6x s LYS 131 Ca 0.17 0.09 -0.26 0.00 -0.36 0.00 0.00 55.97 55.62 1a6x s LYS 131 Cb 0.15 0.05 -0.16 0.00 -1.51 0.00 0.00 37.83 36.36 1a6x s LYS 131 CO 0.02 -0.28 0.43 -1.13 -0.36 0.00 0.00 175.35 174.03 1a6x n SER 132 N 4.79 -1.54 0.00 1.43 3.41 -1.26 -4.84 113.62 115.61 1a6x n SER 132 Ca 0.09 1.04 0.00 0.00 -0.26 0.00 0.00 58.87 59.73 1a6x n SER 132 Cb 0.59 -0.96 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 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 2.04 -0.83 3.60 5.00 0.00 -0.02 -4.95 105.19 110.03 1a6x n GLY 133 Ca 0.15 -1.00 -0.27 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.00 3.37 1.02 2.61 2.01 -1.22 -1.11 115.64 120.32 1a6x s THR 134 Ca 0.00 -1.58 -0.21 0.00 0.31 0.00 0.00 61.69 60.21 1a6x s THR 134 Cb 0.00 -2.68 -0.10 0.00 0.01 0.00 0.00 72.50 69.73 1a6x s THR 134 CO 0.00 -0.11 -0.81 0.55 -0.69 0.00 0.00 174.62 173.57 1a6x n VAL 135 N -0.01 0.00 0.00 3.82 3.14 -1.16 0.19 118.33 124.31 1a6x n VAL 135 Ca -0.10 -0.23 0.00 0.00 -2.96 0.00 0.00 64.34 61.05 1a6x n VAL 135 Cb 0.55 -0.19 0.00 0.00 -1.06 0.00 0.00 33.84 33.14 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 1.12 0.00 0.00 1.45 0.00 -0.32 -3.53 118.16 116.87 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 0.65 -0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.67 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 -2.48 0.00 -2.56 3.14 0.00 0.06 -4.98 120.51 113.68 1a6x n ALA 137 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 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 -0.30 5.17 -0.06 0.00 -1.09 -1.26 0.32 121.20 123.99 1a6x s ILE 138 Ca 0.00 -0.39 -0.20 0.00 -2.23 0.00 0.00 60.65 57.83 1a6x s ILE 138 Cb 0.00 -3.73 -0.31 0.00 -1.58 0.00 0.00 42.46 36.85 1a6x s ILE 138 CO 0.00 -0.09 0.82 -0.07 -1.23 0.00 0.00 174.94 174.36 1a6x h LEU 139 N 8.51 0.46-10.54 2.97 3.38 -1.55 -3.46 115.31 115.08 1a6x h LEU 139 Ca -0.30 -0.93 -0.48 0.00 0.09 0.00 0.00 57.88 56.26 1a6x h LEU 139 Cb 1.14 -0.15 0.09 0.00 0.09 0.00 0.00 40.66 41.83 1a6x h LEU 139 CO 0.66 1.46 0.40 0.54 0.09 0.00 0.00 178.44 181.59 1a6x s VAL 140 N -2.44 2.74 0.41 1.22 0.11 -0.59 -5.05 120.40 116.81 1a6x s VAL 140 Ca -0.15 0.24 0.06 0.00 -2.93 0.00 0.00 61.98 59.20 1a6x s VAL 140 Cb 0.02 -3.22 -0.07 0.00 -1.53 0.00 0.00 36.38 31.58 1a6x s VAL 140 CO 0.82 -0.31 0.01 -1.61 -3.33 0.00 0.00 175.10 170.68 1a6x s GLU 141 N -5.45 1.96 -0.86 1.54 2.02 -1.26 -5.00 118.70 111.65 1a6x s GLU 141 Ca 0.60 -2.12 -0.25 0.00 0.02 0.00 0.00 54.97 53.22 1a6x s GLU 141 Cb -0.11 -1.55 0.05 0.00 0.10 0.00 0.00 34.13 32.61 1a6x s GLU 141 CO 0.51 -0.10 1.32 0.45 0.02 0.00 0.00 175.26 177.46 1a6x s SER 142 N -3.71 6.32 0.00 -0.19 0.15 -1.26 -2.65 113.70 112.36 1a6x s SER 142 Ca 0.32 -0.98 0.00 0.00 0.70 0.00 0.00 55.95 55.99 1a6x s SER 142 Cb 0.09 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 1a6x s SER 142 CO 0.16 -1.64 0.00 0.61 1.20 0.00 0.00 173.24 173.57 1a6x n GLY 143 N 6.00 1.01 3.82 9.45 0.00 0.10 -4.92 105.19 120.66 1a6x n GLY 143 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.23 4.15 0.70 1.61 1.11 -1.09 -4.74 119.66 121.17 1a6x s GLN 144 Ca 0.00 1.13 -0.11 0.00 0.01 0.00 0.00 55.36 56.39 1a6x s GLN 144 Cb 0.00 -2.17 0.01 0.00 -1.01 0.00 0.00 33.01 29.85 1a6x s GLN 144 CO 0.00 -0.10 1.06 -1.25 0.01 0.00 0.00 175.29 175.01 1a6x s PRO 145 N -3.29 2.89 0.04 2.91 0.04 -1.26 -0.65 135.00 135.68 1a6x s PRO 145 Ca 0.62 0.93 -0.01 0.00 0.04 0.00 0.00 61.00 62.59 1a6x s PRO 145 Cb -0.10 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 1a6x s PRO 145 CO 0.16 -1.13 -0.03 0.14 0.04 0.00 0.00 177.00 176.18 1a6x s VAL 146 N -3.05 0.19 0.12 -0.36 -7.23 0.81 -4.76 120.40 106.12 1a6x s VAL 146 Ca 0.58 -1.50 0.06 0.00 -1.81 0.00 0.00 61.98 59.31 1a6x s VAL 146 Cb -0.14 -1.09 -0.04 0.00 0.56 0.00 0.00 36.38 35.67 1a6x s VAL 146 CO 0.55 -0.83 -0.15 -1.61 -0.31 0.00 0.00 175.10 172.76 1a6x s GLU 147 N -3.07 1.04 0.27 4.82 8.01 -1.26 -1.47 118.70 127.03 1a6x s GLU 147 Ca -0.01 -1.23 -0.30 0.00 0.01 0.00 0.00 54.97 53.44 1a6x s GLU 147 Cb 0.02 -0.96 -0.11 0.00 -4.31 0.00 0.00 34.13 28.77 1a6x s GLU 147 CO -0.07 0.19 1.52 0.12 0.01 0.00 0.00 175.26 177.03 1a6x s PHE 148 N -2.04 2.87 0.00 1.61 2.19 -1.25 -1.08 117.98 120.28 1a6x s PHE 148 Ca 0.09 0.90 0.00 0.00 0.33 0.00 0.00 56.93 58.25 1a6x s PHE 148 Cb -0.05 -3.96 0.00 0.00 -1.31 0.00 0.00 43.02 37.70 1a6x s PHE 148 CO 0.03 -3.16 0.00 -3.47 1.83 0.00 0.00 175.22 170.45 1a6x n ASP 149 N 2.21 0.00 -4.86 6.13 4.64 -1.16 -5.01 116.55 118.49 1a6x n ASP 149 Ca 0.07 0.00 -0.32 0.00 -1.38 0.00 0.00 54.79 53.16 1a6x n ASP 149 Cb 0.39 0.00 -0.06 0.00 -1.04 0.00 0.00 41.12 40.41 1a6x n ASP 149 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 1a6x s GLU 150 N -0.19 3.93 0.87 -0.67 0.41 -0.24 -4.90 118.70 117.92 1a6x s GLU 150 Ca 0.00 0.52 -0.12 0.00 -0.41 0.00 0.00 54.97 54.96 1a6x s GLU 150 Cb 0.00 -2.53 0.12 0.00 -1.78 0.00 0.00 34.13 29.94 1a6x s GLU 150 CO 0.00 0.23 1.12 -1.25 -0.49 0.00 0.00 175.26 174.87 1a6x s PRO 151 N -2.88 1.46 0.00 0.39 0.04 -1.26 0.27 135.00 133.01 1a6x s PRO 151 Ca 0.51 0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.96 1a6x s PRO 151 Cb -0.11 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1a6x s PRO 151 CO 0.19 -2.00 0.00 1.28 0.04 0.00 0.00 177.00 176.50 1a6x n LEU 152 N -3.65 0.00 -4.30 -3.56 4.77 0.50 -4.48 117.00 106.28 1a6x n LEU 152 Ca 0.07 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.74 1a6x n LEU 152 Cb 0.58 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.51 1a6x n LEU 152 CO 0.57 -0.02 -0.57 -0.69 -1.33 0.00 0.00 177.39 175.36 1a6x s VAL 153 N -0.04 2.01 -0.24 4.08 1.01 -1.19 -1.25 120.40 124.78 1a6x s VAL 153 Ca 0.00 -1.09 -0.06 0.00 0.00 0.00 0.00 61.98 60.83 1a6x s VAL 153 Cb 0.00 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 1a6x s VAL 153 CO 0.00 0.57 0.04 -0.69 0.00 0.00 0.00 175.10 175.01 1a6x s VAL 154 N -0.56 4.05 0.31 2.92 1.01 0.15 -1.00 120.40 127.28 1a6x s VAL 154 Ca 0.09 -0.26 0.07 0.00 0.00 0.00 0.00 61.98 61.88 1a6x s VAL 154 Cb -0.10 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.37 1a6x s VAL 154 CO -0.01 0.37 0.27 -0.63 0.00 0.00 0.00 175.10 175.10 1a6x s ILE 155 N 1.53 3.83 -1.14 2.22 1.09 0.11 -0.76 121.20 128.08 1a6x s ILE 155 Ca 0.06 -1.37 0.09 0.00 -1.10 0.00 0.00 60.65 58.33 1a6x s ILE 155 Cb -0.15 -3.26 0.07 0.00 -1.06 0.00 0.00 42.46 38.06 1a6x s ILE 155 CO 0.02 -0.23 0.79 1.21 -0.10 0.00 0.00 174.94 176.63