#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 -0.18 -3.31 2.12 4.71 -1.26 -4.65 120.64 118.07 1a6x n GLU 71 Ca 0.00 0.01 -0.11 0.00 -0.01 0.00 0.00 57.16 57.06 1a6x n GLU 71 Cb 0.00 -2.24 -0.06 0.00 -1.01 0.00 0.00 31.44 28.13 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 -2.38 -1.09 0.10 0.62 0.00 -1.26 -4.82 121.76 112.92 1a6x s ALA 72 Ca 0.66 -0.44 -0.12 0.00 0.00 0.00 0.00 51.96 52.07 1a6x s ALA 72 Cb -0.25 -2.24 -0.17 0.00 0.00 0.00 0.00 23.12 20.45 1a6x s ALA 72 CO 0.58 -2.09 1.26 -1.00 0.00 0.00 0.00 175.76 174.50 1a6x h PRO 73 N 7.24 0.68 -0.79 0.00 0.13 -1.95 -3.23 132.00 134.09 1a6x h PRO 73 Ca 0.03 -0.66 0.07 0.00 -0.87 0.00 0.00 66.00 64.57 1a6x h PRO 73 Cb 1.10 0.17 -0.10 0.00 0.13 0.00 0.00 31.00 32.30 1a6x h PRO 73 CO 0.18 1.26 -0.51 0.00 -0.23 0.00 0.00 178.00 178.71 1a6x h ALA 74 N 0.52 -0.52 0.00 -0.56 0.00 -2.04 -3.43 119.26 113.24 1a6x h ALA 74 Ca -0.09 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1a6x h ALA 74 Cb 1.57 1.29 0.00 0.00 0.00 0.00 0.00 17.79 20.65 1a6x h ALA 74 CO 0.18 -0.86 0.00 0.00 0.00 0.00 0.00 179.25 178.57 1a6x n ALA 75 N -3.19 1.76 -3.61 0.00 0.00 -1.25 -5.17 120.51 109.05 1a6x n ALA 75 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.42 1a6x n ALA 75 Cb 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.67 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 -1.95 -2.15 -0.20 0.00 0.00 -1.22 -4.98 121.76 111.27 1a6x s ALA 76 Ca 0.00 1.58 -0.29 0.00 0.00 0.00 0.00 51.96 53.25 1a6x s ALA 76 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.98 1a6x s ALA 76 CO 0.00 -0.65 1.08 -1.83 0.00 0.00 0.00 175.76 174.36 1a6x s GLU 77 N -2.29 4.28 -1.08 0.00 4.04 -1.26 -4.86 118.70 117.53 1a6x s GLU 77 Ca 0.11 1.43 -0.03 0.00 0.04 0.00 0.00 54.97 56.51 1a6x s GLU 77 Cb -0.00 -3.64 0.20 0.00 0.02 0.00 0.00 34.13 30.71 1a6x s GLU 77 CO -0.04 -0.59 2.20 1.51 -1.84 0.00 0.00 175.26 176.50 1a6x n ILE 78 N 5.20 5.20 0.00 1.83 0.13 -1.26 -4.93 119.36 125.52 1a6x n ILE 78 Ca 0.12 -4.76 0.00 0.00 -1.10 0.00 0.00 62.75 57.01 1a6x n ILE 78 Cb 0.46 -1.76 0.00 0.00 -0.84 0.00 0.00 39.64 37.50 1a6x n ILE 78 CO 0.00 0.00 0.00 -0.24 2.80 0.00 0.00 176.55 179.11 1a6x n SER 79 N 0.80 0.00 -2.07 9.51 2.88 -1.26 -4.80 113.62 118.67 1a6x n SER 79 Ca 0.55 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.09 1a6x n SER 79 Cb 0.29 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.75 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 -5.34 2.93 0.46 0.00 -1.25 -5.01 105.19 96.97 1a6x n GLY 80 Ca 0.00 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 1a6x n GLY 80 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1a6x s HIS 81 N -1.09 -0.12 -0.25 1.61 5.04 0.16 -4.94 115.29 115.70 1a6x s HIS 81 Ca 0.00 0.35 -0.11 0.00 -1.54 0.00 0.00 55.06 53.76 1a6x s HIS 81 Cb 0.00 -0.05 -0.05 0.00 0.04 0.00 0.00 32.58 32.52 1a6x s HIS 81 CO 0.00 -0.11 0.20 0.42 -2.34 0.00 0.00 174.74 172.91 1a6x s ILE 82 N 0.68 5.32 -0.18 0.89 1.01 -1.26 -1.11 121.20 126.55 1a6x s ILE 82 Ca -0.05 0.23 -0.28 0.00 0.00 0.00 0.00 60.65 60.55 1a6x s ILE 82 Cb -0.07 -3.53 -0.00 0.00 0.01 0.00 0.00 42.46 38.86 1a6x s ILE 82 CO -0.03 0.30 0.97 -0.69 0.00 0.00 0.00 174.94 175.49 1a6x s VAL 83 N 1.35 4.77 -0.23 2.92 1.01 -0.61 -4.96 120.40 124.64 1a6x s VAL 83 Ca 0.08 1.92 -0.05 0.00 0.00 0.00 0.00 61.98 63.94 1a6x s VAL 83 Cb -0.14 -4.26 -0.01 0.00 0.00 0.00 0.00 36.38 31.96 1a6x s VAL 83 CO 0.07 -0.07 -0.01 -0.13 0.00 0.00 0.00 175.10 174.96 1a6x s ARG 84 N 2.57 3.41 -0.69 2.72 0.52 -1.26 0.90 118.95 127.13 1a6x s ARG 84 Ca 0.44 -0.61 -0.37 0.00 -0.52 0.00 0.00 55.73 54.66 1a6x s ARG 84 Cb -0.16 -3.09 -0.20 0.00 0.52 0.00 0.00 34.95 32.01 1a6x s ARG 84 CO 0.11 -0.21 2.31 0.45 0.02 0.00 0.00 175.30 177.98 1a6x n SER 85 N 4.83 0.53 0.00 0.23 2.88 0.14 -4.70 113.62 117.52 1a6x n SER 85 Ca -0.18 0.45 0.11 0.00 -1.33 0.00 0.00 58.87 57.93 1a6x n SER 85 Cb 0.51 -0.88 0.68 0.00 -0.75 0.00 0.00 64.21 63.76 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 7.68 0.75 -3.64 -1.46 -0.04 -1.26 -3.16 135.00 133.87 1a6x n PRO 86 Ca 0.58 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.94 1a6x n PRO 86 Cb -0.01 -1.48 -0.07 0.00 -0.04 0.00 0.00 33.50 31.90 1a6x n PRO 86 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1a6x s MET 87 N -2.00 0.73 0.31 0.54 0.23 -1.26 -4.99 119.30 112.86 1a6x s MET 87 Ca 0.34 1.03 -0.29 0.00 -1.03 0.00 0.00 55.69 55.74 1a6x s MET 87 Cb 0.16 0.28 -0.10 0.00 -1.53 0.00 0.00 34.83 33.63 1a6x s MET 87 CO 0.26 -0.11 1.20 0.08 -2.03 0.00 0.00 175.02 174.42 1a6x s VAL 88 N 0.89 3.11 0.00 5.16 1.01 -1.26 -4.61 120.40 124.70 1a6x s VAL 88 Ca -0.04 1.11 0.00 0.00 0.00 0.00 0.00 61.98 63.05 1a6x s VAL 88 Cb -0.05 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1a6x s VAL 88 CO -0.08 0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.89 1a6x n GLY 89 N 0.98 -0.53 3.44 4.51 0.00 -0.51 -4.76 105.19 108.31 1a6x n GLY 89 Ca -0.00 0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 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 1.17 -0.01 2.61 2.01 0.14 -0.58 115.64 120.98 1a6x s THR 90 Ca 0.00 -2.00 -0.01 0.00 0.31 0.00 0.00 61.69 59.99 1a6x s THR 90 Cb 0.00 -2.78 -0.00 0.00 0.01 0.00 0.00 72.50 69.73 1a6x s THR 90 CO 0.00 -0.01 0.03 0.12 -0.69 0.00 0.00 174.62 174.07 1a6x s PHE 91 N -3.32 0.01 0.07 4.92 2.19 0.28 -0.92 117.98 121.20 1a6x s PHE 91 Ca 0.37 -0.00 0.02 0.00 0.33 0.00 0.00 56.93 57.64 1a6x s PHE 91 Cb 0.09 -0.02 -0.03 0.00 -1.31 0.00 0.00 43.02 41.75 1a6x s PHE 91 CO 0.15 -0.05 -0.08 0.71 1.83 0.00 0.00 175.22 177.79 1a6x s TYR 92 N -0.21 0.79 -0.41 10.12 2.02 0.14 0.48 117.35 130.27 1a6x s TYR 92 Ca -0.02 -0.67 0.20 0.00 -0.37 0.00 0.00 57.07 56.21 1a6x s TYR 92 Cb -0.02 -0.46 -0.28 0.00 -0.40 0.00 0.00 41.96 40.80 1a6x s TYR 92 CO -0.00 -0.10 0.62 0.54 -1.57 0.00 0.00 175.55 175.04 1a6x n ARG 93 N 0.82 0.52 -4.21 -0.62 5.12 -1.26 -1.09 116.66 115.94 1a6x n ARG 93 Ca -0.18 -0.11 -0.16 0.00 -1.93 0.00 0.00 57.85 55.47 1a6x n ARG 93 Cb 0.57 -1.47 -0.11 0.00 -1.16 0.00 0.00 32.46 30.29 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 -3.21 1.12 0.20 0.55 -4.23 -1.26 -1.29 115.64 107.52 1a6x s THR 94 Ca -0.01 -1.72 0.11 0.00 -1.18 0.00 0.00 61.69 58.89 1a6x s THR 94 Cb 0.14 -1.48 -0.06 0.00 1.34 0.00 0.00 72.50 72.44 1a6x s THR 94 CO 0.85 -0.52 1.52 1.55 -0.54 0.00 0.00 174.62 177.47 1a6x h PRO 95 N 3.46 0.00 -4.76 3.99 0.13 -1.88 -3.47 132.00 129.47 1a6x h PRO 95 Ca -0.38 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.34 1a6x h PRO 95 Cb 1.19 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.19 1a6x h PRO 95 CO 0.53 0.70 -0.47 0.45 -0.23 0.00 0.00 178.00 178.98 1a6x s SER 96 N -6.74 1.36 0.03 1.44 0.15 -1.26 -5.07 113.70 103.61 1a6x s SER 96 Ca -0.00 -1.67 -0.18 0.00 0.70 0.00 0.00 55.95 54.80 1a6x s SER 96 Cb 0.11 0.54 -0.21 0.00 -1.71 0.00 0.00 66.02 64.76 1a6x s SER 96 CO 0.77 -1.06 1.17 1.55 1.20 0.00 0.00 173.24 176.87 1a6x h PRO 97 N 2.20 0.51 -2.04 5.44 0.13 -1.99 -3.29 132.00 132.96 1a6x h PRO 97 Ca -0.27 -0.50 -0.76 0.00 -0.87 0.00 0.00 66.00 63.60 1a6x h PRO 97 Cb 1.24 0.13 -0.28 0.00 0.13 0.00 0.00 31.00 32.21 1a6x h PRO 97 CO 0.39 1.13 0.90 -0.40 -0.23 0.00 0.00 178.00 179.79 1a6x n ASP 98 N -4.15 7.23 -3.96 1.44 5.68 -1.26 -4.93 116.55 116.60 1a6x n ASP 98 Ca -0.10 -3.79 -0.12 0.00 -0.50 0.00 0.00 54.79 50.29 1a6x n ASP 98 Cb 0.69 -1.04 -0.13 0.00 -1.14 0.00 0.00 41.12 39.50 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 -4.10 0.23 1.17 2.12 0.00 -1.24 -5.15 121.76 114.79 1a6x s ALA 99 Ca 0.48 -0.39 -0.14 0.00 0.00 0.00 0.00 51.96 51.91 1a6x s ALA 99 Cb 0.37 0.04 0.25 0.00 0.00 0.00 0.00 23.12 23.78 1a6x s ALA 99 CO -0.32 -0.04 0.77 1.63 0.00 0.00 0.00 175.76 177.80 1a6x n LYS 100 N 2.25 -2.31 -2.94 0.00 5.02 -1.26 -4.80 118.16 114.12 1a6x n LYS 100 Ca -0.18 -0.65 -0.40 0.00 -2.02 0.00 0.00 58.31 55.06 1a6x n LYS 100 Cb 0.57 -2.05 -0.05 0.00 -0.02 0.00 0.00 35.03 33.48 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 -2.36 3.33 0.29 7.82 0.00 -1.26 -4.54 121.76 125.03 1a6x s ALA 101 Ca 0.66 0.30 0.03 0.00 0.00 0.00 0.00 51.96 52.95 1a6x s ALA 101 Cb -0.22 -3.05 0.68 0.00 0.00 0.00 0.00 23.12 20.52 1a6x s ALA 101 CO 0.66 -0.01 1.73 0.74 0.00 0.00 0.00 175.76 178.88 1a6x h PHE 102 N 6.03 0.79 -2.96 0.00 0.04 -1.54 -3.31 116.94 115.99 1a6x h PHE 102 Ca -0.43 0.04 -0.57 0.00 2.80 0.00 0.00 57.97 59.81 1a6x h PHE 102 Cb 1.21 -0.21 -0.40 0.00 2.20 0.00 0.00 35.95 38.75 1a6x h PHE 102 CO 0.65 0.09 -0.77 -1.50 -0.60 0.00 0.00 178.31 176.18 1a6x s ILE 103 N -5.90 0.58 -0.12 -0.55 2.07 -1.26 -4.91 121.20 111.11 1a6x s ILE 103 Ca -0.12 -1.39 -0.30 0.00 -1.41 0.00 0.00 60.65 57.44 1a6x s ILE 103 Cb 0.24 -1.44 -0.02 0.00 0.13 0.00 0.00 42.46 41.37 1a6x s ILE 103 CO 0.78 -0.76 1.19 -1.61 -1.91 0.00 0.00 174.94 172.64 1a6x s GLU 104 N 1.54 4.30 -0.50 3.50 8.01 -1.25 -4.89 118.70 129.41 1a6x s GLU 104 Ca 0.11 1.61 -0.46 0.00 0.01 0.00 0.00 54.97 56.25 1a6x s GLU 104 Cb -0.18 -3.64 -0.20 0.00 -4.31 0.00 0.00 34.13 25.80 1a6x s GLU 104 CO -0.22 -0.55 1.82 0.28 0.01 0.00 0.00 175.26 176.59 1a6x n VAL 105 N 4.97 0.00 -0.03 2.63 0.31 -1.26 -0.68 118.33 124.27 1a6x n VAL 105 Ca 0.12 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 1a6x n VAL 105 Cb 0.46 -0.51 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 5.41 1.78 3.75 2.92 0.00 -1.26 -5.10 105.19 112.69 1a6x n GLY 106 Ca 0.41 -0.02 -0.26 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 -0.85 2.21 -0.09 1.61 0.74 0.14 -5.04 119.66 118.37 1a6x s GLN 107 Ca 0.00 -1.94 0.01 0.00 0.05 0.00 0.00 55.36 53.48 1a6x s GLN 107 Cb 0.00 -1.93 -0.03 0.00 1.10 0.00 0.00 33.01 32.15 1a6x s GLN 107 CO 0.00 -0.20 -0.09 0.21 -0.55 0.00 0.00 175.29 174.66 1a6x s LYS 108 N -3.93 2.96 -0.02 1.67 2.36 -1.26 -3.86 119.74 117.66 1a6x s LYS 108 Ca 0.36 -0.60 0.02 0.00 -2.55 0.00 0.00 55.97 53.20 1a6x s LYS 108 Cb 0.03 -2.60 0.01 0.00 -1.05 0.00 0.00 37.83 34.22 1a6x s LYS 108 CO 0.20 0.51 -0.05 0.14 1.55 0.00 0.00 175.35 177.70 1a6x s VAL 109 N -0.40 0.47 0.03 4.02 -7.23 -0.29 -5.02 120.40 111.98 1a6x s VAL 109 Ca 0.05 -0.19 0.08 0.00 -1.81 0.00 0.00 61.98 60.12 1a6x s VAL 109 Cb -0.12 -0.44 -0.03 0.00 0.56 0.00 0.00 36.38 36.35 1a6x s VAL 109 CO 0.02 0.16 -0.23 0.54 -0.31 0.00 0.00 175.10 175.29 1a6x s ASN 110 N 0.29 3.41 -0.53 4.85 4.22 -1.26 -0.97 114.94 124.94 1a6x s ASN 110 Ca -0.03 -0.50 -0.43 0.00 -2.14 0.00 0.00 52.86 49.75 1a6x s ASN 110 Cb -0.07 -0.43 -0.19 0.00 1.28 0.00 0.00 41.25 41.84 1a6x s ASN 110 CO -0.00 0.27 2.18 0.55 -2.04 0.00 0.00 177.10 178.06 1a6x n VAL 111 N 1.80 0.00 0.00 3.54 3.14 -1.26 -0.64 118.33 124.91 1a6x n VAL 111 Ca -0.17 -0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 1a6x n VAL 111 Cb 0.52 -0.50 0.00 0.00 -1.06 0.00 0.00 33.84 32.79 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 7.43 0.48 3.66 7.55 0.00 -1.11 -5.02 105.19 118.18 1a6x n GLY 112 Ca 0.56 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.14 5.24 0.36 1.61 1.01 0.18 -4.88 116.67 120.05 1a6x s ASP 113 Ca 0.00 0.11 -0.27 0.00 0.71 0.00 0.00 52.55 53.10 1a6x s ASP 113 Cb 0.00 -1.58 -0.12 0.00 1.01 0.00 0.00 42.92 42.23 1a6x s ASP 113 CO 0.00 0.33 1.17 0.41 0.21 0.00 0.00 175.17 177.29 1a6x n THR 114 N 2.48 2.17 -0.03 -1.27 -1.04 -1.26 -0.79 114.28 114.53 1a6x n THR 114 Ca -0.18 -0.50 -0.03 0.00 -2.04 0.00 0.00 64.05 61.29 1a6x n THR 114 Cb 0.53 -1.37 -0.05 0.00 -1.82 0.00 0.00 70.33 67.63 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 0.73 0.54 0.00 -4.42 -0.00 0.11 -4.67 117.00 109.28 1a6x n LEU 115 Ca 0.07 -0.01 0.00 0.00 -0.00 0.00 0.00 56.01 56.07 1a6x n LEU 115 Cb 0.36 0.07 0.00 0.00 -0.00 0.00 0.00 43.42 43.86 1a6x n LEU 115 CO 0.60 0.24 0.00 0.00 -0.00 0.00 0.00 177.39 178.23 1a6x s ILE 117 N -2.11 0.41 -0.08 0.00 1.01 -0.25 -1.03 121.20 119.14 1a6x s ILE 117 Ca 0.00 -0.71 0.03 0.00 0.00 0.00 0.00 60.65 59.97 1a6x s ILE 117 Cb 0.00 -0.44 0.01 0.00 0.01 0.00 0.00 42.46 42.04 1a6x s ILE 117 CO 0.00 -0.21 -0.18 -0.69 0.00 0.00 0.00 174.94 173.86 1a6x s VAL 118 N -0.89 1.59 -0.11 2.92 1.01 0.11 0.25 120.40 125.27 1a6x s VAL 118 Ca -0.06 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.12 1a6x s VAL 118 Cb -0.07 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 1a6x s VAL 118 CO 0.00 0.45 0.10 -0.70 0.00 0.00 0.00 175.10 174.95 1a6x s GLU 119 N 0.49 3.30 0.23 2.72 2.12 -0.10 -0.88 118.70 126.58 1a6x s GLU 119 Ca -0.16 -0.22 0.04 0.00 0.36 0.00 0.00 54.97 54.99 1a6x s GLU 119 Cb -0.17 -3.06 -0.01 0.00 0.26 0.00 0.00 34.13 31.14 1a6x s GLU 119 CO 0.06 0.75 0.14 0.00 -0.54 0.00 0.00 175.26 175.68 1a6x n ALA 120 N 2.04 0.42 -1.30 6.30 0.00 0.55 0.26 120.51 128.77 1a6x n ALA 120 Ca -0.20 -1.27 -0.26 0.00 0.00 0.00 0.00 53.44 51.71 1a6x n ALA 120 Cb 0.55 0.95 -0.17 0.00 0.00 0.00 0.00 19.45 20.78 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 -0.48 0.00 -4.14 0.00 0.00 -1.26 -0.33 117.12 110.91 1a6x n MET 121 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 57.70 57.27 1a6x n MET 121 Cb 0.39 -1.04 -0.00 0.00 0.00 0.00 0.00 33.22 32.56 1a6x n MET 121 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 175.97 176.33 1a6x n LYS 122 N 5.82 -0.34 -3.64 3.17 2.85 -1.26 -4.93 118.16 119.83 1a6x n LYS 122 Ca 0.58 0.06 -0.10 0.00 -1.05 0.00 0.00 58.31 57.80 1a6x n LYS 122 Cb 0.08 -2.65 -0.07 0.00 -0.65 0.00 0.00 35.03 31.74 1a6x n LYS 122 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1a6x s MET 123 N -7.49 0.74 -0.22 -1.58 -1.94 0.56 -5.15 119.30 104.21 1a6x s MET 123 Ca 0.40 1.11 -0.07 0.00 -1.71 0.00 0.00 55.69 55.42 1a6x s MET 123 Cb -0.22 0.23 -0.03 0.00 2.01 0.00 0.00 34.83 36.82 1a6x s MET 123 CO 0.98 -0.13 0.06 1.41 -0.01 0.00 0.00 175.02 177.33 1a6x s MET 124 N 1.13 3.75 0.13 2.03 1.75 -1.26 -0.33 119.30 126.50 1a6x s MET 124 Ca -0.06 -0.44 0.07 0.00 -1.25 0.00 0.00 55.69 54.01 1a6x s MET 124 Cb -0.05 -3.25 -0.04 0.00 2.84 0.00 0.00 34.83 34.33 1a6x s MET 124 CO -0.11 -0.01 -0.17 -0.80 -0.65 0.00 0.00 175.02 173.28 1a6x s ASN 125 N 1.13 2.33 0.28 1.11 0.01 -0.06 -5.02 114.94 114.71 1a6x s ASN 125 Ca 0.04 -0.80 0.10 0.00 -0.71 0.00 0.00 52.86 51.49 1a6x s ASN 125 Cb -0.14 -0.11 -0.04 0.00 0.41 0.00 0.00 41.25 41.36 1a6x s ASN 125 CO 0.03 -0.07 -0.02 -1.10 -1.51 0.00 0.00 177.10 174.43 1a6x s GLN 126 N -2.56 2.19 -0.20 -0.60 -0.21 -1.26 0.04 119.66 117.06 1a6x s GLN 126 Ca 0.11 -1.50 0.00 0.00 0.02 0.00 0.00 55.36 53.99 1a6x s GLN 126 Cb -0.06 -2.09 0.02 0.00 1.00 0.00 0.00 33.01 31.88 1a6x s GLN 126 CO 0.05 0.33 -0.15 0.42 -2.12 0.00 0.00 175.29 173.81 1a6x s ILE 127 N -2.37 2.31 -0.33 1.08 -1.09 -0.20 -4.82 121.20 115.78 1a6x s ILE 127 Ca 0.32 -1.01 -0.17 0.00 -2.23 0.00 0.00 60.65 57.56 1a6x s ILE 127 Cb -0.06 -2.07 -0.01 0.00 -1.58 0.00 0.00 42.46 38.75 1a6x s ILE 127 CO 0.19 0.40 0.44 -0.70 -1.23 0.00 0.00 174.94 174.04 1a6x s GLU 128 N 1.29 3.69 0.06 2.79 2.12 -1.26 0.05 118.70 127.43 1a6x s GLU 128 Ca 0.02 -0.19 -0.36 0.00 0.36 0.00 0.00 54.97 54.80 1a6x s GLU 128 Cb -0.15 -3.77 -0.19 0.00 0.26 0.00 0.00 34.13 30.28 1a6x s GLU 128 CO -0.10 -0.53 0.90 0.00 -0.54 0.00 0.00 175.26 174.99 1a6x n ALA 129 N 5.54 -3.37 0.14 6.30 0.00 0.03 -4.78 120.51 124.37 1a6x n ALA 129 Ca -0.07 0.55 0.04 0.00 0.00 0.00 0.00 53.44 53.96 1a6x n ALA 129 Cb 0.49 -1.72 0.06 0.00 0.00 0.00 0.00 19.45 18.28 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 1.67 2.01 -3.27 0.00 5.75 -1.26 -2.73 116.55 118.71 1a6x n ASP 130 Ca 0.19 -1.58 -0.06 0.00 -0.01 0.00 0.00 54.79 53.34 1a6x n ASP 130 Cb 0.14 -0.06 -0.04 0.00 -1.03 0.00 0.00 41.12 40.13 1a6x n ASP 130 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1a6x s LYS 131 N -0.77 0.75 0.73 0.11 3.01 -1.26 -4.95 119.74 117.38 1a6x s LYS 131 Ca 0.11 -0.51 -0.17 0.00 -1.01 0.00 0.00 55.97 54.40 1a6x s LYS 131 Cb 0.07 -0.23 -0.14 0.00 -1.01 0.00 0.00 37.83 36.52 1a6x s LYS 131 CO 0.10 -1.19 -0.47 -1.13 0.51 0.00 0.00 175.35 173.16 1a6x n SER 132 N 4.33 -4.73 0.00 2.83 3.41 -1.26 -4.72 113.62 113.49 1a6x n SER 132 Ca 0.11 0.38 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 1a6x n SER 132 Cb 0.52 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 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 2.90 -1.39 2.31 5.00 0.00 -0.14 -4.67 105.19 109.21 1a6x n GLY 133 Ca 0.03 -0.98 -0.25 0.00 0.00 0.00 0.00 46.02 44.81 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 1.73 0.83 -0.83 2.61 -1.04 -0.98 -1.14 114.28 115.45 1a6x n THR 134 Ca 0.00 -4.62 0.10 0.00 -2.04 0.00 0.00 64.05 57.50 1a6x n THR 134 Cb 0.00 -2.02 -0.03 0.00 -1.82 0.00 0.00 70.33 66.46 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 1.12 0.00 0.00 12.58 3.14 -1.25 -4.32 118.33 129.60 1a6x n VAL 135 Ca 0.25 0.06 0.00 0.00 -2.96 0.00 0.00 64.34 61.69 1a6x n VAL 135 Cb 0.47 -0.32 0.00 0.00 -1.06 0.00 0.00 33.84 32.93 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 -2.67 0.00 0.00 1.45 0.00 0.15 0.16 118.16 117.26 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 -1.56 0.00 -2.80 3.14 0.00 0.40 -4.94 120.51 114.75 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 -0.31 5.01 -0.19 0.00 1.09 -1.26 0.15 121.20 125.70 1a6x s ILE 138 Ca 0.00 0.04 -0.04 0.00 -1.10 0.00 0.00 60.65 59.55 1a6x s ILE 138 Cb 0.00 -3.22 -0.10 0.00 -1.06 0.00 0.00 42.46 38.07 1a6x s ILE 138 CO 0.00 0.52 -0.20 0.18 -0.10 0.00 0.00 174.94 175.33 1a6x n LEU 139 N 2.95 2.22 -4.82 2.97 4.77 -0.68 -4.98 117.00 119.44 1a6x n LEU 139 Ca -0.18 0.06 -0.31 0.00 -0.03 0.00 0.00 56.01 55.55 1a6x n LEU 139 Cb 0.53 -0.60 0.04 0.00 -2.33 0.00 0.00 43.42 41.06 1a6x n LEU 139 CO 0.34 0.62 0.71 0.54 -1.33 0.00 0.00 177.39 178.26 1a6x s VAL 140 N -2.36 3.99 0.29 4.08 0.11 -0.88 -5.07 120.40 120.56 1a6x s VAL 140 Ca -0.26 0.71 0.09 0.00 -2.93 0.00 0.00 61.98 59.59 1a6x s VAL 140 Cb 0.08 -3.40 -0.04 0.00 -1.53 0.00 0.00 36.38 31.49 1a6x s VAL 140 CO 0.38 -0.79 0.09 -0.70 -3.33 0.00 0.00 175.10 170.75 1a6x s GLU 141 N -4.84 2.45 -0.79 1.54 2.56 -1.26 -5.00 118.70 113.36 1a6x s GLU 141 Ca 0.59 -1.39 -0.25 0.00 0.00 0.00 0.00 54.97 53.92 1a6x s GLU 141 Cb -0.14 -2.25 -0.01 0.00 2.00 0.00 0.00 34.13 33.73 1a6x s GLU 141 CO 0.51 0.29 1.74 -1.54 -0.56 0.00 0.00 175.26 175.70 1a6x s SER 142 N -3.77 5.54 0.00 -1.70 1.04 -1.26 -1.58 113.70 111.97 1a6x s SER 142 Ca 0.34 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.37 1a6x s SER 142 Cb -0.05 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.51 1a6x s SER 142 CO 0.22 -2.30 0.00 0.61 0.98 0.00 0.00 173.24 172.75 1a6x n GLY 143 N 6.23 1.10 3.82 7.32 0.00 0.18 -4.92 105.19 118.92 1a6x n GLY 143 Ca 0.27 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.96 1a6x n GLY 143 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1a6x s GLN 144 N -0.16 4.05 0.64 1.61 0.74 -0.61 -4.71 119.66 121.21 1a6x s GLN 144 Ca 0.00 1.15 -0.13 0.00 0.05 0.00 0.00 55.36 56.43 1a6x s GLN 144 Cb 0.00 -2.15 -0.02 0.00 1.10 0.00 0.00 33.01 31.95 1a6x s GLN 144 CO 0.00 -0.19 1.05 -1.25 -0.55 0.00 0.00 175.29 174.35 1a6x s PRO 145 N -3.38 3.16 0.05 1.67 0.04 -1.26 -0.56 135.00 134.72 1a6x s PRO 145 Ca 0.63 1.06 -0.00 0.00 0.04 0.00 0.00 61.00 62.72 1a6x s PRO 145 Cb -0.11 -2.02 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 1a6x s PRO 145 CO 0.19 -0.93 -0.04 0.14 0.04 0.00 0.00 177.00 176.41 1a6x s VAL 146 N -2.77 0.26 0.08 -0.36 -7.23 0.26 -4.78 120.40 105.86 1a6x s VAL 146 Ca 0.60 -1.58 0.07 0.00 -1.81 0.00 0.00 61.98 59.26 1a6x s VAL 146 Cb -0.15 -1.20 -0.03 0.00 0.56 0.00 0.00 36.38 35.56 1a6x s VAL 146 CO 0.46 -0.84 -0.17 -0.70 -0.31 0.00 0.00 175.10 173.53 1a6x s GLU 147 N -3.24 0.97 0.34 4.82 2.12 -1.26 -1.43 118.70 121.03 1a6x s GLU 147 Ca 0.01 -1.04 -0.29 0.00 0.36 0.00 0.00 54.97 54.02 1a6x s GLU 147 Cb 0.03 -1.10 -0.11 0.00 0.26 0.00 0.00 34.13 33.20 1a6x s GLU 147 CO -0.07 0.25 1.52 0.12 -0.54 0.00 0.00 175.26 176.55 1a6x s PHE 148 N -1.19 2.66 0.00 5.30 2.19 -1.26 -1.09 117.98 124.59 1a6x s PHE 148 Ca 0.02 1.03 0.00 0.00 0.33 0.00 0.00 56.93 58.31 1a6x s PHE 148 Cb -0.10 -4.03 0.00 0.00 -1.31 0.00 0.00 43.02 37.58 1a6x s PHE 148 CO 0.03 -3.19 0.00 -3.47 1.83 0.00 0.00 175.22 170.42 1a6x n ASP 149 N 1.11 0.00 -4.86 6.13 2.03 -1.19 -5.01 116.55 114.76 1a6x n ASP 149 Ca 0.04 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 55.00 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 -0.25 3.86 0.78 -0.67 0.41 -0.25 -4.91 118.70 117.66 1a6x s GLU 150 Ca 0.00 0.31 -0.11 0.00 -0.41 0.00 0.00 54.97 54.76 1a6x s GLU 150 Cb 0.00 -2.92 0.06 0.00 -1.78 0.00 0.00 34.13 29.48 1a6x s GLU 150 CO 0.00 0.49 1.09 -1.25 -0.49 0.00 0.00 175.26 175.10 1a6x s PRO 151 N -2.06 2.24 0.00 0.39 0.04 -1.26 0.24 135.00 134.59 1a6x s PRO 151 Ca 0.37 0.69 0.00 0.00 0.04 0.00 0.00 61.00 62.10 1a6x s PRO 151 Cb -0.14 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1a6x s PRO 151 CO 0.19 -1.52 0.00 1.28 0.04 0.00 0.00 177.00 176.99 1a6x n LEU 152 N -3.37 0.00 -4.14 -3.56 4.77 0.26 -4.61 117.00 106.34 1a6x n LEU 152 Ca 0.07 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.83 1a6x n LEU 152 Cb 0.56 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.50 1a6x n LEU 152 CO 0.56 -0.22 -0.48 -0.69 -1.33 0.00 0.00 177.39 175.24 1a6x s VAL 153 N -0.44 1.20 -0.24 4.08 1.01 -1.24 -1.68 120.40 123.09 1a6x s VAL 153 Ca 0.00 -0.83 -0.11 0.00 0.00 0.00 0.00 61.98 61.04 1a6x s VAL 153 Cb 0.00 -1.03 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 1a6x s VAL 153 CO 0.00 0.19 0.17 -0.69 0.00 0.00 0.00 175.10 174.78 1a6x s VAL 154 N -0.58 5.35 0.22 2.92 1.01 0.40 -1.58 120.40 128.14 1a6x s VAL 154 Ca 0.04 0.20 0.09 0.00 0.00 0.00 0.00 61.98 62.31 1a6x s VAL 154 Cb -0.07 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 1a6x s VAL 154 CO 0.00 0.34 -0.04 -0.63 0.00 0.00 0.00 175.10 174.77 1a6x s ILE 155 N 1.11 3.41 -2.84 2.22 1.09 -0.27 0.33 121.20 126.25 1a6x s ILE 155 Ca 0.08 -1.73 0.25 0.00 -1.10 0.00 0.00 60.65 58.15 1a6x s ILE 155 Cb -0.14 -2.76 0.30 0.00 -1.06 0.00 0.00 42.46 38.81 1a6x s ILE 155 CO 0.05 -0.23 1.41 1.21 -0.10 0.00 0.00 174.94 177.28