#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 0.00 0.26 0.03 -0.58 -1.26 -3.72 120.64 115.37 1a6x n GLU 71 Ca 0.00 0.01 -0.16 0.00 -0.42 0.00 0.00 57.16 56.59 1a6x n GLU 71 Cb 0.00 -0.13 -0.08 0.00 -0.57 0.00 0.00 31.44 30.66 1a6x n GLU 71 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1a6x h ALA 72 N -2.00 -0.62 -0.80 0.62 0.00 -2.09 -2.67 119.26 111.71 1a6x h ALA 72 Ca 0.00 -0.14 -0.48 0.00 0.00 0.00 0.00 54.91 54.29 1a6x h ALA 72 Cb 0.00 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 1a6x h ALA 72 CO 0.00 -0.83 1.36 -1.25 0.00 0.00 0.00 179.25 178.53 1a6x s PRO 73 N -5.98 3.16 -0.21 0.00 0.04 -1.26 -4.37 135.00 126.38 1a6x s PRO 73 Ca -0.16 -1.12 -0.08 0.00 0.04 0.00 0.00 61.00 59.68 1a6x s PRO 73 Cb 0.04 -5.30 0.03 0.00 0.04 0.00 0.00 34.50 29.31 1a6x s PRO 73 CO 0.62 -2.94 0.15 0.00 0.04 0.00 0.00 177.00 174.88 1a6x n ALA 74 N 11.38 -3.60 0.46 8.56 0.00 -1.25 -4.03 120.51 132.02 1a6x n ALA 74 Ca 0.41 1.65 -0.18 0.00 0.00 0.00 0.00 53.44 55.32 1a6x n ALA 74 Cb 0.48 -3.22 -0.09 0.00 0.00 0.00 0.00 19.45 16.62 1a6x n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a6x h ALA 75 N 3.41 -1.28 0.00 0.00 0.00 -1.55 -3.16 119.26 116.68 1a6x h ALA 75 Ca -0.35 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1a6x h ALA 75 Cb 0.79 0.45 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1a6x h ALA 75 CO 0.04 -1.19 0.00 0.00 0.00 0.00 0.00 179.25 178.10 1a6x n ALA 76 N -2.61 0.00 -1.46 0.00 0.00 -1.26 -4.16 120.51 111.02 1a6x n ALA 76 Ca -0.15 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.48 1a6x n ALA 76 Cb 0.46 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.84 1a6x n ALA 76 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1a6x n GLU 77 N 0.00 -3.19 0.04 0.00 4.71 -1.26 -4.66 120.64 116.28 1a6x n GLU 77 Ca 0.00 2.42 -0.02 0.00 -0.01 0.00 0.00 57.16 59.56 1a6x n GLU 77 Cb 0.00 -3.79 -0.01 0.00 -1.01 0.00 0.00 31.44 26.63 1a6x n GLU 77 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1a6x h ILE 78 N -1.40 0.00 0.00 -3.67 2.04 -1.99 -3.48 117.51 109.01 1a6x h ILE 78 Ca -0.11 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1a6x h ILE 78 Cb 1.37 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1a6x h ILE 78 CO 0.05 0.00 0.00 -1.20 0.00 0.00 0.00 178.15 177.00 1a6x n SER 79 N -2.33 0.00 -1.33 1.72 7.64 -1.26 -5.16 113.62 112.90 1a6x n SER 79 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1a6x n SER 79 Cb 0.04 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 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 -0.96 -4.27 2.73 0.23 0.00 -1.26 -4.98 105.19 96.69 1a6x n GLY 80 Ca 0.00 -0.81 -0.28 0.00 0.00 0.00 0.00 46.02 44.94 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 -3.65 1.00 -0.23 1.61 5.65 -0.37 -4.94 115.29 114.35 1a6x s HIS 81 Ca 0.00 -0.84 -0.14 0.00 0.25 0.00 0.00 55.06 54.33 1a6x s HIS 81 Cb 0.00 -1.02 -0.04 0.00 -1.18 0.00 0.00 32.58 30.34 1a6x s HIS 81 CO 0.00 -0.61 0.33 0.42 -0.65 0.00 0.00 174.74 174.24 1a6x s ILE 82 N 1.87 5.23 -0.32 0.89 -1.09 -1.26 -0.52 121.20 125.99 1a6x s ILE 82 Ca -0.01 0.53 -0.24 0.00 -2.23 0.00 0.00 60.65 58.70 1a6x s ILE 82 Cb -0.17 -3.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.05 1a6x s ILE 82 CO -0.08 0.24 0.82 -0.69 -1.23 0.00 0.00 174.94 174.01 1a6x s VAL 83 N 1.51 4.74 -0.16 2.92 1.01 0.65 -5.00 120.40 126.07 1a6x s VAL 83 Ca 0.15 1.18 0.01 0.00 0.00 0.00 0.00 61.98 63.32 1a6x s VAL 83 Cb -0.15 -4.20 0.01 0.00 0.00 0.00 0.00 36.38 32.04 1a6x s VAL 83 CO 0.08 -0.32 -0.18 -0.13 0.00 0.00 0.00 175.10 174.54 1a6x s ARG 84 N 3.09 3.11 -0.43 2.72 0.52 -1.26 -0.09 118.95 126.60 1a6x s ARG 84 Ca 0.34 -0.80 -0.33 0.00 -0.52 0.00 0.00 55.73 54.42 1a6x s ARG 84 Cb -0.14 -2.57 -0.11 0.00 0.52 0.00 0.00 34.95 32.65 1a6x s ARG 84 CO 0.14 -0.06 2.29 -1.13 0.02 0.00 0.00 175.30 176.56 1a6x n SER 85 N 4.24 2.03 0.00 0.23 3.41 0.14 -4.75 113.62 118.93 1a6x n SER 85 Ca -0.20 0.22 0.11 0.00 -0.26 0.00 0.00 58.87 58.74 1a6x n SER 85 Cb 0.51 -1.30 0.66 0.00 -0.26 0.00 0.00 64.21 63.83 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 8.41 0.75 -3.60 4.33 -0.04 -1.26 -1.40 135.00 142.18 1a6x n PRO 86 Ca 0.43 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.86 1a6x n PRO 86 Cb 0.27 -1.47 -0.05 0.00 -0.04 0.00 0.00 33.50 32.22 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 0.53 0.58 0.54 1.75 -1.26 -4.82 119.30 114.62 1a6x s MET 87 Ca 0.34 1.10 -0.18 0.00 -1.25 0.00 0.00 55.69 55.70 1a6x s MET 87 Cb 0.15 0.42 -0.10 0.00 2.84 0.00 0.00 34.83 38.14 1a6x s MET 87 CO 0.26 -0.14 0.33 0.28 -0.65 0.00 0.00 175.02 175.10 1a6x n VAL 88 N 4.68 1.60 0.00 10.11 0.31 -1.26 -4.62 118.33 129.15 1a6x n VAL 88 Ca -0.15 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 1a6x n VAL 88 Cb 0.54 -0.50 0.00 0.00 -0.91 0.00 0.00 33.84 32.97 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 1.99 -0.53 2.76 2.92 0.00 -0.28 -4.69 105.19 107.36 1a6x n GLY 89 Ca 0.10 -0.24 -0.18 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.80 0.06 -0.01 2.61 2.01 0.14 0.27 115.64 118.92 1a6x s THR 90 Ca 0.00 0.22 -0.20 0.00 0.31 0.00 0.00 61.69 62.02 1a6x s THR 90 Cb 0.00 -0.22 -0.05 0.00 0.01 0.00 0.00 72.50 72.23 1a6x s THR 90 CO 0.00 0.15 0.58 0.12 -0.69 0.00 0.00 174.62 174.78 1a6x s PHE 91 N 1.46 3.68 0.01 4.92 2.19 -0.09 -0.02 117.98 130.13 1a6x s PHE 91 Ca -0.04 1.17 0.03 0.00 0.33 0.00 0.00 56.93 58.42 1a6x s PHE 91 Cb -0.13 -2.59 -0.01 0.00 -1.31 0.00 0.00 43.02 38.98 1a6x s PHE 91 CO -0.03 0.36 -0.09 0.71 1.83 0.00 0.00 175.22 178.00 1a6x s TYR 92 N -0.20 0.82 -0.53 10.12 2.02 0.08 -0.50 117.35 129.16 1a6x s TYR 92 Ca 0.30 -0.23 0.23 0.00 -0.37 0.00 0.00 57.07 57.00 1a6x s TYR 92 Cb -0.18 -0.51 0.15 0.00 -0.40 0.00 0.00 41.96 41.02 1a6x s TYR 92 CO 0.17 -0.01 1.14 0.54 -1.57 0.00 0.00 175.55 175.81 1a6x n ARG 93 N 2.48 0.37 -4.25 -0.62 5.12 -1.26 -0.47 116.66 118.02 1a6x n ARG 93 Ca -0.16 0.06 -0.17 0.00 -1.93 0.00 0.00 57.85 55.65 1a6x n ARG 93 Cb 0.56 -1.68 -0.11 0.00 -1.16 0.00 0.00 32.46 30.08 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 -3.23 1.32 -0.05 0.55 -4.23 -1.26 -0.03 115.64 108.71 1a6x s THR 94 Ca 0.03 -1.84 -0.25 0.00 -1.18 0.00 0.00 61.69 58.46 1a6x s THR 94 Cb 0.13 -1.64 -0.23 0.00 1.34 0.00 0.00 72.50 72.10 1a6x s THR 94 CO 0.77 -0.51 1.06 1.55 -0.54 0.00 0.00 174.62 176.94 1a6x h PRO 95 N 3.26 0.15 -4.56 3.99 0.13 -1.89 -3.46 132.00 129.63 1a6x h PRO 95 Ca -0.39 -0.15 -0.39 0.00 -0.87 0.00 0.00 66.00 64.21 1a6x h PRO 95 Cb 1.20 0.04 -0.11 0.00 0.13 0.00 0.00 31.00 32.26 1a6x h PRO 95 CO 0.55 0.86 -0.35 -1.12 -0.23 0.00 0.00 178.00 177.70 1a6x s SER 96 N -6.22 1.36 0.50 1.44 0.01 -1.26 -5.12 113.70 104.41 1a6x s SER 96 Ca -0.16 -1.65 -0.19 0.00 1.31 0.00 0.00 55.95 55.26 1a6x s SER 96 Cb 0.01 0.61 -0.08 0.00 0.21 0.00 0.00 66.02 66.77 1a6x s SER 96 CO 0.73 -1.17 1.04 -2.16 0.41 0.00 0.00 173.24 172.09 1a6x s PRO 97 N -3.24 3.72 0.00 12.44 0.04 -1.26 -2.96 135.00 143.74 1a6x s PRO 97 Ca 0.36 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1a6x s PRO 97 Cb 0.01 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1a6x s PRO 97 CO 0.25 -0.49 0.00 -3.47 0.04 0.00 0.00 177.00 173.33 1a6x n ASP 98 N -1.16 -3.37 -4.69 6.66 -0.08 -1.26 -4.97 116.55 107.68 1a6x n ASP 98 Ca 0.09 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 53.02 1a6x n ASP 98 Cb 0.53 -1.75 -0.09 0.00 2.34 0.00 0.00 41.12 42.14 1a6x n ASP 98 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1a6x s ALA 99 N -1.77 3.38 0.91 -1.67 0.00 -1.16 -5.10 121.76 116.35 1a6x s ALA 99 Ca 0.00 -0.77 -0.09 0.00 0.00 0.00 0.00 51.96 51.10 1a6x s ALA 99 Cb 0.00 -1.67 0.15 0.00 0.00 0.00 0.00 23.12 21.60 1a6x s ALA 99 CO 0.00 0.47 0.33 0.36 0.00 0.00 0.00 175.76 176.91 1a6x n LYS 100 N 2.56 -1.48 -3.69 0.00 2.85 -1.26 -4.85 118.16 112.29 1a6x n LYS 100 Ca -0.18 -0.55 -0.36 0.00 -1.05 0.00 0.00 58.31 56.17 1a6x n LYS 100 Cb 0.53 -0.97 -0.07 0.00 -0.65 0.00 0.00 35.03 33.87 1a6x n LYS 100 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1a6x s ALA 101 N -2.04 3.70 0.29 0.58 0.00 -1.26 -4.61 121.76 118.42 1a6x s ALA 101 Ca 0.25 -0.59 0.04 0.00 0.00 0.00 0.00 51.96 51.66 1a6x s ALA 101 Cb -0.04 -2.20 0.73 0.00 0.00 0.00 0.00 23.12 21.60 1a6x s ALA 101 CO 0.21 0.25 1.69 0.74 0.00 0.00 0.00 175.76 178.65 1a6x h PHE 102 N 6.24 0.63 -3.23 0.00 0.04 -0.80 -3.37 116.94 116.46 1a6x h PHE 102 Ca -0.44 0.04 -0.49 0.00 2.80 0.00 0.00 57.97 59.88 1a6x h PHE 102 Cb 1.17 -0.14 -0.37 0.00 2.20 0.00 0.00 35.95 38.81 1a6x h PHE 102 CO 0.63 -0.06 -0.79 0.96 -0.60 0.00 0.00 178.31 178.45 1a6x s ILE 103 N -5.89 0.77 -0.30 -0.55 -4.36 -1.26 -4.90 121.20 104.71 1a6x s ILE 103 Ca -0.12 -0.14 -0.12 0.00 -0.26 0.00 0.00 60.65 60.01 1a6x s ILE 103 Cb 0.25 -0.83 -0.03 0.00 1.25 0.00 0.00 42.46 43.10 1a6x s ILE 103 CO 0.78 0.32 0.24 -0.70 0.24 0.00 0.00 174.94 175.82 1a6x s GLU 104 N 1.71 3.77 -0.49 0.37 2.12 -1.26 -5.00 118.70 119.92 1a6x s GLU 104 Ca 0.03 -0.40 -0.46 0.00 0.36 0.00 0.00 54.97 54.51 1a6x s GLU 104 Cb -0.13 -3.72 -0.19 0.00 0.26 0.00 0.00 34.13 30.35 1a6x s GLU 104 CO -0.06 -0.31 1.80 0.28 -0.54 0.00 0.00 175.26 176.42 1a6x n VAL 105 N 5.10 0.01 0.00 3.70 0.31 -1.26 -1.29 118.33 124.90 1a6x n VAL 105 Ca -0.12 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1a6x n VAL 105 Cb 0.51 -0.53 0.00 0.00 -0.91 0.00 0.00 33.84 32.91 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 5.25 1.48 3.43 2.92 0.00 -1.26 -5.12 105.19 111.89 1a6x n GLY 106 Ca 0.39 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.16 1.58 0.30 1.61 0.74 -0.41 -5.02 119.66 118.30 1a6x s GLN 107 Ca 0.00 -1.71 0.06 0.00 0.05 0.00 0.00 55.36 53.76 1a6x s GLN 107 Cb 0.00 -1.58 -0.02 0.00 1.10 0.00 0.00 33.01 32.51 1a6x s GLN 107 CO 0.00 0.29 0.39 0.21 -0.55 0.00 0.00 175.29 175.63 1a6x s LYS 108 N -3.54 3.13 -0.04 1.67 2.20 -1.26 -2.93 119.74 118.97 1a6x s LYS 108 Ca 0.28 -0.99 -0.02 0.00 -0.36 0.00 0.00 55.97 54.88 1a6x s LYS 108 Cb -0.04 -2.76 0.03 0.00 -1.51 0.00 0.00 37.83 33.55 1a6x s LYS 108 CO 0.13 0.19 0.09 0.14 -0.36 0.00 0.00 175.35 175.54 1a6x s VAL 109 N -2.14 -0.05 0.12 4.02 -7.23 -0.01 -5.00 120.40 110.12 1a6x s VAL 109 Ca 0.40 0.17 0.09 0.00 -1.81 0.00 0.00 61.98 60.84 1a6x s VAL 109 Cb -0.09 -0.16 -0.04 0.00 0.56 0.00 0.00 36.38 36.66 1a6x s VAL 109 CO 0.29 0.07 -0.20 0.20 -0.31 0.00 0.00 175.10 175.15 1a6x s ASN 110 N 0.99 3.74 -0.49 4.85 0.01 -1.26 -0.72 114.94 122.06 1a6x s ASN 110 Ca -0.08 -0.61 -0.44 0.00 -0.71 0.00 0.00 52.86 51.02 1a6x s ASN 110 Cb -0.11 -0.46 -0.19 0.00 0.41 0.00 0.00 41.25 40.90 1a6x s ASN 110 CO -0.04 0.18 2.06 0.52 -1.51 0.00 0.00 177.10 178.31 1a6x n VAL 111 N 0.82 0.01 0.00 1.60 0.31 -1.26 -1.01 118.33 118.79 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 -0.56 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 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 6.90 1.65 3.23 2.92 0.00 -1.26 -5.06 105.19 113.58 1a6x n GLY 112 Ca 0.51 0.00 -0.31 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 -2.00 2.91 0.40 1.61 1.01 -0.18 -4.96 116.67 115.46 1a6x s ASP 113 Ca 0.00 -0.50 -0.27 0.00 0.71 0.00 0.00 52.55 52.50 1a6x s ASP 113 Cb 0.00 -0.96 -0.09 0.00 1.01 0.00 0.00 42.92 42.87 1a6x s ASP 113 CO 0.00 0.20 1.38 -0.89 0.21 0.00 0.00 175.17 176.07 1a6x s THR 114 N 0.03 2.36 -0.07 -1.27 2.01 -1.26 -0.39 115.64 117.05 1a6x s THR 114 Ca -0.08 0.33 0.05 0.00 0.31 0.00 0.00 61.69 62.30 1a6x s THR 114 Cb -0.15 -3.20 -0.08 0.00 0.01 0.00 0.00 72.50 69.09 1a6x s THR 114 CO 0.05 0.06 0.01 -0.11 -0.69 0.00 0.00 174.62 173.94 1a6x n LEU 115 N 0.21 0.46 0.00 4.42 7.94 0.26 -4.66 117.00 125.63 1a6x n LEU 115 Ca 0.03 -0.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.92 1a6x n LEU 115 Cb 0.42 0.09 0.00 0.00 0.53 0.00 0.00 43.42 44.46 1a6x n LEU 115 CO 0.59 0.23 0.00 0.00 -1.11 0.00 0.00 177.39 177.10 1a6x s ILE 117 N -2.05 0.37 -0.13 0.00 1.01 0.38 -0.40 121.20 120.38 1a6x s ILE 117 Ca 0.00 -1.28 -0.01 0.00 0.00 0.00 0.00 60.65 59.36 1a6x s ILE 117 Cb 0.00 -0.81 0.03 0.00 0.01 0.00 0.00 42.46 41.69 1a6x s ILE 117 CO 0.00 -0.60 -0.04 -0.69 0.00 0.00 0.00 174.94 173.62 1a6x s VAL 118 N -2.18 0.82 -0.18 2.92 1.01 0.14 -0.74 120.40 122.20 1a6x s VAL 118 Ca -0.06 -0.32 -0.11 0.00 0.00 0.00 0.00 61.98 61.50 1a6x s VAL 118 Cb -0.05 -0.99 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 1a6x s VAL 118 CO -0.03 0.20 0.17 -0.70 0.00 0.00 0.00 175.10 174.74 1a6x s GLU 119 N 1.77 4.12 0.08 2.72 2.12 0.98 0.23 118.70 130.71 1a6x s GLU 119 Ca 0.03 -0.13 -0.26 0.00 0.36 0.00 0.00 54.97 54.97 1a6x s GLU 119 Cb -0.14 -3.39 0.09 0.00 0.26 0.00 0.00 34.13 30.94 1a6x s GLU 119 CO -0.07 0.35 0.77 0.00 -0.54 0.00 0.00 175.26 175.76 1a6x s ALA 120 N 0.20 -1.71 -1.35 6.30 0.00 0.43 0.25 121.76 125.88 1a6x s ALA 120 Ca 0.11 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.80 1a6x s ALA 120 Cb -0.12 0.63 0.00 0.00 0.00 0.00 0.00 23.12 23.64 1a6x s ALA 120 CO 0.00 -0.74 0.00 -1.33 0.00 0.00 0.00 175.76 173.69 1a6x n MET 121 N -0.31 -1.34 -2.76 0.00 2.81 -1.26 0.23 117.12 114.48 1a6x n MET 121 Ca -0.12 0.77 -0.07 0.00 -1.81 0.00 0.00 57.70 56.46 1a6x n MET 121 Cb 0.63 -4.99 0.03 0.00 -0.71 0.00 0.00 33.22 28.18 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 -1.73 -2.58 -3.59 0.03 3.00 -1.26 -5.04 118.16 106.98 1a6x n LYS 122 Ca -0.13 0.28 -0.16 0.00 -0.00 0.00 0.00 58.31 58.30 1a6x n LYS 122 Cb 0.44 -3.65 -0.07 0.00 0.00 0.00 0.00 35.03 31.76 1a6x n LYS 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1a6x s MET 123 N -5.17 0.96 0.06 1.64 0.23 0.14 -5.16 119.30 112.00 1a6x s MET 123 Ca 0.14 0.07 -0.16 0.00 -1.03 0.00 0.00 55.69 54.72 1a6x s MET 123 Cb -0.06 0.45 -0.06 0.00 -1.53 0.00 0.00 34.83 33.62 1a6x s MET 123 CO 0.25 -0.30 0.49 0.00 -2.03 0.00 0.00 175.02 173.42 1a6x s MET 124 N -1.43 4.00 -0.29 3.16 0.23 -1.26 -0.43 119.30 123.28 1a6x s MET 124 Ca -0.11 0.51 -0.04 0.00 -1.03 0.00 0.00 55.69 55.03 1a6x s MET 124 Cb -0.01 -3.15 0.10 0.00 -1.53 0.00 0.00 34.83 30.24 1a6x s MET 124 CO 0.07 0.62 0.13 -0.80 -2.03 0.00 0.00 175.02 173.01 1a6x s ASN 125 N -1.28 3.56 0.52 -1.18 0.01 0.14 -4.97 114.94 111.74 1a6x s ASN 125 Ca 0.29 -1.34 -0.22 0.00 -0.71 0.00 0.00 52.86 50.88 1a6x s ASN 125 Cb -0.17 -0.38 -0.06 0.00 0.41 0.00 0.00 41.25 41.05 1a6x s ASN 125 CO 0.17 -0.43 1.30 -1.58 -1.51 0.00 0.00 177.10 175.04 1a6x s GLN 126 N 2.04 3.33 -0.28 -0.60 0.74 -1.26 0.25 119.66 123.87 1a6x s GLN 126 Ca 0.09 2.08 -0.06 0.00 0.05 0.00 0.00 55.36 57.52 1a6x s GLN 126 Cb -0.16 -2.30 0.00 0.00 1.10 0.00 0.00 33.01 31.66 1a6x s GLN 126 CO -0.35 -0.99 0.06 0.42 -0.55 0.00 0.00 175.29 173.87 1a6x s ILE 127 N -1.38 3.90 -0.08 -2.34 -1.09 0.47 -4.83 121.20 115.84 1a6x s ILE 127 Ca 0.69 -0.63 -0.18 0.00 -2.23 0.00 0.00 60.65 58.29 1a6x s ILE 127 Cb -0.37 -2.97 -0.05 0.00 -1.58 0.00 0.00 42.46 37.50 1a6x s ILE 127 CO 0.43 0.14 0.50 -0.70 -1.23 0.00 0.00 174.94 174.09 1a6x s GLU 128 N 1.50 4.29 0.08 2.79 2.12 -1.26 -0.57 118.70 127.65 1a6x s GLU 128 Ca 0.03 0.51 -0.36 0.00 0.36 0.00 0.00 54.97 55.52 1a6x s GLU 128 Cb -0.17 -3.39 -0.18 0.00 0.26 0.00 0.00 34.13 30.65 1a6x s GLU 128 CO 0.02 0.25 0.97 0.00 -0.54 0.00 0.00 175.26 175.96 1a6x n ALA 129 N 3.29 -2.79 -0.64 6.30 0.00 0.47 -4.84 120.51 122.30 1a6x n ALA 129 Ca -0.08 0.53 0.06 0.00 0.00 0.00 0.00 53.44 53.96 1a6x n ALA 129 Cb 0.52 -1.79 0.12 0.00 0.00 0.00 0.00 19.45 18.29 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 1.78 2.54 -2.74 0.00 4.64 -1.26 -4.19 116.55 117.32 1a6x n ASP 130 Ca 0.19 -2.63 -0.01 0.00 -1.38 0.00 0.00 54.79 50.96 1a6x n ASP 130 Cb 0.16 -0.30 0.02 0.00 -1.04 0.00 0.00 41.12 39.96 1a6x n ASP 130 CO 0.00 0.00 0.00 -0.75 -0.82 0.00 0.00 177.20 175.63 1a6x s LYS 131 N -2.10 0.25 0.15 -0.67 2.36 -1.26 -5.09 119.74 113.37 1a6x s LYS 131 Ca 0.23 -0.17 -0.30 0.00 -2.55 0.00 0.00 55.97 53.18 1a6x s LYS 131 Cb 0.19 0.01 -0.17 0.00 -1.05 0.00 0.00 37.83 36.80 1a6x s LYS 131 CO 0.04 -0.33 0.63 0.45 1.55 0.00 0.00 175.35 177.69 1a6x n SER 132 N 3.23 -0.92 0.00 1.43 2.88 -1.26 -4.85 113.62 114.12 1a6x n SER 132 Ca 0.09 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.73 1a6x n SER 132 Cb 0.63 -0.91 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 1a6x n SER 132 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a6x n GLY 133 N 1.82 -1.21 3.55 0.46 0.00 0.10 -4.99 105.19 104.92 1a6x n GLY 133 Ca 0.18 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.67 3.22 0.89 2.61 2.01 -1.26 -0.83 115.64 119.62 1a6x s THR 134 Ca 0.00 -1.26 -0.17 0.00 0.31 0.00 0.00 61.69 60.57 1a6x s THR 134 Cb 0.00 -2.47 -0.14 0.00 0.01 0.00 0.00 72.50 69.89 1a6x s THR 134 CO 0.00 0.16 -0.61 0.55 -0.69 0.00 0.00 174.62 174.03 1a6x n VAL 135 N 0.90 0.03 0.00 3.82 3.14 -1.15 0.10 118.33 125.17 1a6x n VAL 135 Ca -0.14 -0.49 0.00 0.00 -2.96 0.00 0.00 64.34 60.75 1a6x n VAL 135 Cb 0.52 -0.03 0.00 0.00 -1.06 0.00 0.00 33.84 33.27 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 2.12 0.00 0.00 1.45 3.00 -0.31 -4.05 118.16 120.38 1a6x n LYS 136 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 1a6x n LYS 136 Cb 0.54 -0.12 0.00 0.00 0.00 0.00 0.00 35.03 35.45 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 -2.22 0.00 -2.63 3.14 0.00 -0.07 -4.95 120.51 113.78 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 -0.11 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 -0.32 5.27 -0.17 0.00 1.09 -1.26 0.17 121.20 125.98 1a6x s ILE 138 Ca 0.00 0.15 -0.12 0.00 -1.10 0.00 0.00 60.65 59.58 1a6x s ILE 138 Cb 0.00 -3.49 -0.23 0.00 -1.06 0.00 0.00 42.46 37.68 1a6x s ILE 138 CO 0.00 0.28 0.25 0.18 -0.10 0.00 0.00 174.94 175.55 1a6x n LEU 139 N 4.84 2.33 -4.80 2.97 4.77 -0.43 -4.92 117.00 121.76 1a6x n LEU 139 Ca -0.14 0.28 -0.33 0.00 -0.03 0.00 0.00 56.01 55.79 1a6x n LEU 139 Cb 0.52 -1.04 -0.01 0.00 -2.33 0.00 0.00 43.42 40.56 1a6x n LEU 139 CO 0.33 0.63 0.72 0.54 -1.33 0.00 0.00 177.39 178.28 1a6x s VAL 140 N -2.48 3.83 -0.12 4.08 0.11 0.11 -5.03 120.40 120.90 1a6x s VAL 140 Ca -0.26 0.98 0.01 0.00 -2.93 0.00 0.00 61.98 59.77 1a6x s VAL 140 Cb 0.07 -3.43 -0.01 0.00 -1.53 0.00 0.00 36.38 31.48 1a6x s VAL 140 CO 0.68 -0.41 -0.16 -0.70 -3.33 0.00 0.00 175.10 171.19 1a6x s GLU 141 N -3.74 3.28 -0.95 1.54 2.12 -1.26 -4.96 118.70 114.73 1a6x s GLU 141 Ca 0.65 -0.73 -0.23 0.00 0.36 0.00 0.00 54.97 55.02 1a6x s GLU 141 Cb -0.16 -2.55 -0.24 0.00 0.26 0.00 0.00 34.13 31.44 1a6x s GLU 141 CO 0.30 0.22 2.40 0.45 -0.54 0.00 0.00 175.26 178.09 1a6x n SER 142 N 3.48 -0.25 0.00 -1.70 2.88 -1.26 0.20 113.62 116.97 1a6x n SER 142 Ca -0.18 -0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.31 1a6x n SER 142 Cb 0.53 -0.76 0.00 0.00 -0.75 0.00 0.00 64.21 63.23 1a6x n SER 142 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1a6x n GLY 143 N 5.88 3.91 3.45 0.46 0.00 0.34 -4.91 105.19 114.31 1a6x n GLY 143 Ca 0.63 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 45.30 1a6x n GLY 143 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1a6x n GLN 144 N 0.00 0.52 -1.52 1.61 6.02 0.52 -4.48 117.38 120.05 1a6x n GLN 144 Ca 0.00 0.20 -0.29 0.00 -0.01 0.00 0.00 57.00 56.89 1a6x n GLN 144 Cb 0.00 -1.58 0.18 0.00 1.02 0.00 0.00 30.24 29.86 1a6x n GLN 144 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1a6x s PRO 145 N -1.79 0.29 0.05 -1.09 0.04 -1.26 -0.91 135.00 130.33 1a6x s PRO 145 Ca 0.65 -0.03 -0.01 0.00 0.04 0.00 0.00 61.00 61.66 1a6x s PRO 145 Cb -0.51 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 1a6x s PRO 145 CO 0.57 -2.71 -0.03 0.14 0.04 0.00 0.00 177.00 175.01 1a6x s VAL 146 N -3.39 0.23 0.26 -0.36 -7.23 0.14 -4.51 120.40 105.55 1a6x s VAL 146 Ca 0.69 -1.70 0.02 0.00 -1.81 0.00 0.00 61.98 59.17 1a6x s VAL 146 Cb -0.10 -1.37 -0.04 0.00 0.56 0.00 0.00 36.38 35.43 1a6x s VAL 146 CO 0.54 -0.93 0.14 -0.70 -0.31 0.00 0.00 175.10 173.84 1a6x s GLU 147 N -3.61 1.45 -0.25 4.82 2.12 -1.26 -1.13 118.70 120.85 1a6x s GLU 147 Ca 0.04 -1.80 -0.29 0.00 0.36 0.00 0.00 54.97 53.29 1a6x s GLU 147 Cb 0.06 -0.00 -0.02 0.00 0.26 0.00 0.00 34.13 34.42 1a6x s GLU 147 CO -0.09 -0.41 1.64 0.12 -0.54 0.00 0.00 175.26 175.98 1a6x s PHE 148 N -3.79 2.07 0.00 5.30 2.19 -1.25 -1.37 117.98 121.13 1a6x s PHE 148 Ca 0.38 0.56 0.00 0.00 0.33 0.00 0.00 56.93 58.19 1a6x s PHE 148 Cb 0.06 -4.02 0.00 0.00 -1.31 0.00 0.00 43.02 37.75 1a6x s PHE 148 CO 0.16 -2.90 0.00 -3.47 1.83 0.00 0.00 175.22 170.83 1a6x n ASP 149 N 8.75 -2.47 -4.81 6.13 -0.08 -0.50 -5.02 116.55 118.55 1a6x n ASP 149 Ca 0.19 0.00 -0.34 0.00 -1.51 0.00 0.00 54.79 53.13 1a6x n ASP 149 Cb 0.46 -0.41 -0.06 0.00 2.34 0.00 0.00 41.12 43.44 1a6x n ASP 149 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1a6x s GLU 150 N -0.15 4.17 0.58 -0.67 -6.30 -0.47 -4.82 118.70 111.04 1a6x s GLU 150 Ca 0.00 1.24 -0.16 0.00 -2.50 0.00 0.00 54.97 53.55 1a6x s GLU 150 Cb 0.00 -2.27 -0.05 0.00 0.00 0.00 0.00 34.13 31.81 1a6x s GLU 150 CO 0.00 -0.09 1.05 -1.25 0.02 0.00 0.00 175.26 174.99 1a6x s PRO 151 N -2.98 3.43 0.00 4.30 0.04 -1.26 0.27 135.00 138.80 1a6x s PRO 151 Ca 0.61 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.84 1a6x s PRO 151 Cb -0.13 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1a6x s PRO 151 CO 0.17 -0.72 0.00 1.28 0.04 0.00 0.00 177.00 177.77 1a6x n LEU 152 N -1.89 0.00 -4.23 -3.56 4.77 0.88 -4.66 117.00 108.32 1a6x n LEU 152 Ca 0.09 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.88 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 0.46 0.00 -0.46 -0.69 -1.33 0.00 0.00 177.39 175.37 1a6x s VAL 153 N 0.00 1.32 -0.12 4.08 1.01 -1.17 0.10 120.40 125.61 1a6x s VAL 153 Ca 0.00 -1.57 -0.01 0.00 0.00 0.00 0.00 61.98 60.40 1a6x s VAL 153 Cb 0.00 -1.39 -0.02 0.00 0.00 0.00 0.00 36.38 34.96 1a6x s VAL 153 CO 0.00 -0.31 -0.08 -0.69 0.00 0.00 0.00 175.10 174.02 1a6x s VAL 154 N -1.74 3.58 0.28 2.92 1.01 0.45 -0.25 120.40 126.64 1a6x s VAL 154 Ca 0.05 -0.49 0.07 0.00 0.00 0.00 0.00 61.98 61.62 1a6x s VAL 154 Cb -0.07 -2.52 -0.06 0.00 0.00 0.00 0.00 36.38 33.73 1a6x s VAL 154 CO 0.03 0.53 -0.08 -0.63 0.00 0.00 0.00 175.10 174.95 1a6x s ILE 155 N 0.02 1.78 0.00 2.22 1.01 0.32 -0.89 121.20 125.66 1a6x s ILE 155 Ca -0.01 -2.16 0.00 0.00 0.00 0.00 0.00 60.65 58.48 1a6x s ILE 155 Cb -0.14 -2.43 0.00 0.00 0.01 0.00 0.00 42.46 39.90 1a6x s ILE 155 CO 0.03 -0.32 0.00 1.21 0.00 0.00 0.00 174.94 175.86