#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 -0.16 3.17 4.07 -1.26 -4.47 120.64 121.99 1a6x n GLU 71 Ca 0.00 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 57.03 1a6x n GLU 71 Cb 0.00 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.37 1a6x n GLU 71 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1a6x h ALA 72 N 0.00 -0.13 -2.07 4.31 0.00 -2.07 -3.36 119.26 115.93 1a6x h ALA 72 Ca 0.00 0.13 -0.57 0.00 0.00 0.00 0.00 54.91 54.47 1a6x h ALA 72 Cb 0.00 0.76 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 1a6x h ALA 72 CO 0.00 -0.71 0.95 -1.25 0.00 0.00 0.00 179.25 178.23 1a6x s PRO 73 N -5.98 4.09 -0.14 0.00 0.04 -1.26 -4.90 135.00 126.84 1a6x s PRO 73 Ca -0.15 1.52 -0.11 0.00 0.04 0.00 0.00 61.00 62.30 1a6x s PRO 73 Cb 0.14 -3.83 -0.04 0.00 0.04 0.00 0.00 34.50 30.82 1a6x s PRO 73 CO 0.68 -0.90 -0.22 0.00 0.04 0.00 0.00 177.00 176.60 1a6x n ALA 74 N 7.10 0.56 -0.35 8.56 0.00 -1.26 -3.98 120.51 131.14 1a6x n ALA 74 Ca 0.15 -0.54 -0.10 0.00 0.00 0.00 0.00 53.44 52.94 1a6x n ALA 74 Cb 0.45 0.02 -0.09 0.00 0.00 0.00 0.00 19.45 19.83 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 -1.11 -0.51 -0.83 0.00 0.00 -1.96 0.12 119.26 114.96 1a6x h ALA 75 Ca 0.00 0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.08 1a6x h ALA 75 Cb 0.64 1.32 -0.10 0.00 0.00 0.00 0.00 17.79 19.64 1a6x h ALA 75 CO 0.00 -0.87 -0.52 0.00 0.00 0.00 0.00 179.25 177.85 1a6x h ALA 76 N 0.29 -0.52 -3.83 0.00 0.00 -1.99 -3.47 119.26 109.74 1a6x h ALA 76 Ca 0.14 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1a6x h ALA 76 Cb 0.38 1.31 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1a6x h ALA 76 CO -0.81 -0.88 -0.94 0.39 0.00 0.00 0.00 179.25 177.02 1a6x n GLU 77 N -5.02 -4.73 0.00 0.00 -0.58 0.41 -5.04 120.64 105.68 1a6x n GLU 77 Ca 0.01 3.52 0.00 0.00 -0.42 0.00 0.00 57.16 60.27 1a6x n GLU 77 Cb 0.24 -3.96 0.00 0.00 -0.57 0.00 0.00 31.44 27.15 1a6x n GLU 77 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 1a6x n ILE 78 N -0.80 0.00 -2.41 -3.67 0.00 -1.26 -5.06 119.36 106.16 1a6x n ILE 78 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 62.75 62.35 1a6x n ILE 78 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 39.64 39.61 1a6x n ILE 78 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1a6x s SER 79 N -1.48 5.95 0.00 9.51 0.15 -1.26 -4.48 113.70 122.08 1a6x s SER 79 Ca 0.00 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.24 1a6x s SER 79 Cb 0.00 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 1a6x s SER 79 CO 0.00 -1.97 0.00 0.61 1.20 0.00 0.00 173.24 173.08 1a6x n GLY 80 N 5.72 2.43 3.24 9.45 0.00 0.59 -4.92 105.19 121.70 1a6x n GLY 80 Ca 0.13 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 -0.73 -0.28 1.61 5.04 0.17 -4.93 115.29 116.17 1a6x s HIS 81 Ca 0.00 1.44 -0.16 0.00 -1.54 0.00 0.00 55.06 54.80 1a6x s HIS 81 Cb 0.00 0.26 -0.03 0.00 0.04 0.00 0.00 32.58 32.85 1a6x s HIS 81 CO 0.00 -0.45 0.41 0.42 -2.34 0.00 0.00 174.74 172.78 1a6x s ILE 82 N 2.45 5.14 -0.20 0.89 1.09 -1.26 -0.98 121.20 128.33 1a6x s ILE 82 Ca -0.02 0.58 -0.29 0.00 -1.10 0.00 0.00 60.65 59.81 1a6x s ILE 82 Cb -0.12 -3.75 -0.02 0.00 -1.06 0.00 0.00 42.46 37.52 1a6x s ILE 82 CO -0.12 0.10 1.42 -0.69 -0.10 0.00 0.00 174.94 175.55 1a6x s VAL 83 N 2.13 4.00 -0.18 2.92 1.01 0.12 -4.91 120.40 125.50 1a6x s VAL 83 Ca 0.16 1.17 -0.02 0.00 0.00 0.00 0.00 61.98 63.29 1a6x s VAL 83 Cb -0.16 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 1a6x s VAL 83 CO 0.10 -0.26 -0.09 -0.13 0.00 0.00 0.00 175.10 174.72 1a6x s ARG 84 N 4.06 3.38 -0.53 2.72 0.52 -1.26 0.49 118.95 128.34 1a6x s ARG 84 Ca 0.62 -0.65 -0.33 0.00 -0.52 0.00 0.00 55.73 54.84 1a6x s ARG 84 Cb -0.23 -2.83 -0.14 0.00 0.52 0.00 0.00 34.95 32.28 1a6x s ARG 84 CO 0.23 -0.00 2.34 0.45 0.02 0.00 0.00 175.30 178.33 1a6x n SER 85 N 4.18 1.64 0.00 0.23 2.88 0.14 -4.74 113.62 117.95 1a6x n SER 85 Ca -0.18 0.21 0.11 0.00 -1.33 0.00 0.00 58.87 57.68 1a6x n SER 85 Cb 0.52 -1.22 0.66 0.00 -0.75 0.00 0.00 64.21 63.42 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 8.35 0.75 -3.66 -1.46 -0.04 -1.26 -3.17 135.00 134.51 1a6x n PRO 86 Ca 0.47 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.87 1a6x n PRO 86 Cb 0.22 -1.47 -0.08 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 0.49 0.40 0.54 -1.94 -1.26 -4.92 119.30 110.60 1a6x s MET 87 Ca 0.34 1.15 -0.26 0.00 -1.71 0.00 0.00 55.69 55.21 1a6x s MET 87 Cb 0.15 0.39 -0.11 0.00 2.01 0.00 0.00 34.83 37.28 1a6x s MET 87 CO 0.26 -0.20 1.22 0.28 -0.01 0.00 0.00 175.02 176.57 1a6x n VAL 88 N 4.99 2.40 0.00 -6.03 0.31 -1.26 -4.64 118.33 114.09 1a6x n VAL 88 Ca -0.14 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 1a6x n VAL 88 Cb 0.52 -1.48 0.00 0.00 -0.91 0.00 0.00 33.84 31.97 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 0.88 -0.71 3.22 2.92 0.00 -0.40 -4.78 105.19 106.31 1a6x n GLY 89 Ca 0.07 0.29 -0.11 0.00 0.00 0.00 0.00 46.02 46.27 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 0.03 0.01 2.61 2.01 0.14 0.04 115.64 120.48 1a6x s THR 90 Ca 0.00 -1.91 0.01 0.00 0.31 0.00 0.00 61.69 60.10 1a6x s THR 90 Cb 0.00 -2.34 -0.01 0.00 0.01 0.00 0.00 72.50 70.16 1a6x s THR 90 CO 0.00 -0.13 -0.04 0.12 -0.69 0.00 0.00 174.62 173.88 1a6x s PHE 91 N -4.11 0.32 0.04 4.92 2.19 0.03 -0.86 117.98 120.51 1a6x s PHE 91 Ca 0.33 -0.24 0.00 0.00 0.33 0.00 0.00 56.93 57.36 1a6x s PHE 91 Cb 0.06 -0.20 -0.03 0.00 -1.31 0.00 0.00 43.02 41.54 1a6x s PHE 91 CO 0.09 -0.06 -0.04 0.71 1.83 0.00 0.00 175.22 177.75 1a6x s TYR 92 N -0.62 0.48 -0.56 10.12 2.02 0.83 -0.11 117.35 129.52 1a6x s TYR 92 Ca -0.05 -0.77 0.20 0.00 -0.37 0.00 0.00 57.07 56.08 1a6x s TYR 92 Cb -0.05 -0.33 -0.25 0.00 -0.40 0.00 0.00 41.96 40.93 1a6x s TYR 92 CO -0.00 -0.24 0.67 0.54 -1.57 0.00 0.00 175.55 174.95 1a6x n ARG 93 N 0.85 0.57 -4.14 -0.62 5.12 -1.26 -1.26 116.66 115.91 1a6x n ARG 93 Ca -0.19 -0.08 -0.13 0.00 -1.93 0.00 0.00 57.85 55.53 1a6x n ARG 93 Cb 0.58 -1.45 -0.11 0.00 -1.16 0.00 0.00 32.46 30.33 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 -3.07 0.73 0.04 0.55 -4.23 -1.26 -1.46 115.64 106.93 1a6x s THR 94 Ca 0.01 -1.58 0.18 0.00 -1.18 0.00 0.00 61.69 59.12 1a6x s THR 94 Cb 0.14 -1.25 0.12 0.00 1.34 0.00 0.00 72.50 72.85 1a6x s THR 94 CO 0.82 -0.62 1.64 1.55 -0.54 0.00 0.00 174.62 177.46 1a6x h PRO 95 N 3.62 0.00 -4.19 3.99 0.13 -1.90 -3.47 132.00 130.18 1a6x h PRO 95 Ca -0.36 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.48 1a6x h PRO 95 Cb 1.18 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.23 1a6x h PRO 95 CO 0.54 0.40 -0.22 0.45 -0.23 0.00 0.00 178.00 178.94 1a6x s SER 96 N -6.40 0.99 -0.02 1.44 0.15 -1.26 -5.06 113.70 103.54 1a6x s SER 96 Ca 0.02 -1.52 -0.22 0.00 0.70 0.00 0.00 55.95 54.93 1a6x s SER 96 Cb 0.10 0.66 -0.22 0.00 -1.71 0.00 0.00 66.02 64.84 1a6x s SER 96 CO 0.70 -1.28 1.10 1.55 1.20 0.00 0.00 173.24 176.50 1a6x h PRO 97 N 2.11 0.27 -1.85 5.44 0.13 -1.98 -3.29 132.00 132.83 1a6x h PRO 97 Ca -0.28 -0.26 -0.74 0.00 -0.87 0.00 0.00 66.00 63.85 1a6x h PRO 97 Cb 1.24 0.07 -0.27 0.00 0.13 0.00 0.00 31.00 32.17 1a6x h PRO 97 CO 0.38 0.94 1.00 -3.47 -0.23 0.00 0.00 178.00 176.63 1a6x n ASP 98 N -4.43 7.51 -4.19 1.44 -0.08 -1.26 -4.92 116.55 110.61 1a6x n ASP 98 Ca -0.09 -3.80 -0.17 0.00 -1.51 0.00 0.00 54.79 49.22 1a6x n ASP 98 Cb 0.53 -1.06 -0.11 0.00 2.34 0.00 0.00 41.12 42.81 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 -3.91 1.22 1.13 -1.67 0.00 -1.24 -5.14 121.76 112.15 1a6x s ALA 99 Ca 0.54 -1.11 -0.12 0.00 0.00 0.00 0.00 51.96 51.27 1a6x s ALA 99 Cb 0.45 -0.06 0.27 0.00 0.00 0.00 0.00 23.12 23.77 1a6x s ALA 99 CO -0.35 0.10 1.04 0.15 0.00 0.00 0.00 175.76 176.71 1a6x s LYS 100 N -2.20 -0.67 0.01 0.00 1.02 -1.26 -4.82 119.74 111.83 1a6x s LYS 100 Ca 0.02 0.90 -0.18 0.00 0.02 0.00 0.00 55.97 56.73 1a6x s LYS 100 Cb -0.07 -1.58 -0.06 0.00 -0.52 0.00 0.00 37.83 35.60 1a6x s LYS 100 CO 0.02 -3.57 0.50 0.00 -0.92 0.00 0.00 175.35 171.38 1a6x s ALA 101 N -2.51 3.60 0.26 5.17 0.00 -1.26 -4.48 121.76 122.54 1a6x s ALA 101 Ca 0.68 -0.08 -0.05 0.00 0.00 0.00 0.00 51.96 52.50 1a6x s ALA 101 Cb -0.24 -2.56 0.29 0.00 0.00 0.00 0.00 23.12 20.60 1a6x s ALA 101 CO 0.64 0.35 1.91 0.74 0.00 0.00 0.00 175.76 179.40 1a6x h PHE 102 N 4.99 1.20 -2.18 0.00 0.04 -1.61 -3.39 116.94 116.00 1a6x h PHE 102 Ca -0.49 0.01 -0.32 0.00 2.80 0.00 0.00 57.97 59.97 1a6x h PHE 102 Cb 1.21 -0.40 -0.33 0.00 2.20 0.00 0.00 35.95 38.63 1a6x h PHE 102 CO 0.68 0.79 -0.63 0.96 -0.60 0.00 0.00 178.31 179.51 1a6x s ILE 103 N -5.97 -0.40 -0.02 -0.55 -5.25 -1.26 -4.90 121.20 102.85 1a6x s ILE 103 Ca -0.13 -0.44 -0.18 0.00 -0.99 0.00 0.00 60.65 58.92 1a6x s ILE 103 Cb 0.18 -0.95 -0.05 0.00 2.95 0.00 0.00 42.46 44.58 1a6x s ILE 103 CO 0.82 -0.43 0.50 -0.70 -1.79 0.00 0.00 174.94 173.33 1a6x s GLU 104 N 2.36 4.19 -0.50 0.37 -6.30 -1.26 -4.96 118.70 112.60 1a6x s GLU 104 Ca 0.09 0.55 -0.46 0.00 -2.50 0.00 0.00 54.97 52.66 1a6x s GLU 104 Cb -0.14 -3.32 -0.20 0.00 0.00 0.00 0.00 34.13 30.48 1a6x s GLU 104 CO -0.31 0.45 1.80 0.28 0.02 0.00 0.00 175.26 177.50 1a6x n VAL 105 N 2.56 0.00 0.00 3.70 0.31 -1.26 -1.54 118.33 122.10 1a6x n VAL 105 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1a6x n VAL 105 Cb 0.52 -0.50 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 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 5.32 1.90 3.27 2.92 0.00 -1.26 -5.11 105.19 112.23 1a6x n GLY 106 Ca 0.40 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.61 1.13 0.44 1.61 -0.44 -0.59 -5.02 119.66 116.18 1a6x s GLN 107 Ca 0.00 -1.49 0.07 0.00 -2.50 0.00 0.00 55.36 51.43 1a6x s GLN 107 Cb 0.00 -0.70 -0.03 0.00 -1.64 0.00 0.00 33.01 30.63 1a6x s GLN 107 CO 0.00 0.08 0.22 -1.59 0.50 0.00 0.00 175.29 174.49 1a6x s LYS 108 N -3.74 2.25 -0.08 1.67 -2.85 -1.26 -2.50 119.74 113.23 1a6x s LYS 108 Ca 0.19 -1.88 -0.21 0.00 -1.00 0.00 0.00 55.97 53.06 1a6x s LYS 108 Cb 0.02 -2.00 0.05 0.00 -2.06 0.00 0.00 37.83 33.84 1a6x s LYS 108 CO 0.02 -0.21 0.49 0.14 0.10 0.00 0.00 175.35 175.89 1a6x s VAL 109 N -2.63 0.02 0.09 1.79 -7.23 0.39 -4.98 120.40 107.85 1a6x s VAL 109 Ca 0.38 -0.18 0.09 0.00 -1.81 0.00 0.00 61.98 60.47 1a6x s VAL 109 Cb 0.02 -0.78 -0.03 0.00 0.56 0.00 0.00 36.38 36.15 1a6x s VAL 109 CO 0.21 -0.10 -0.25 0.21 -0.31 0.00 0.00 175.10 174.87 1a6x s ASN 110 N -0.82 2.98 -0.52 4.85 3.84 -1.26 -0.57 114.94 123.44 1a6x s ASN 110 Ca -0.09 -0.66 -0.43 0.00 0.21 0.00 0.00 52.86 51.89 1a6x s ASN 110 Cb -0.03 -0.22 -0.19 0.00 -0.55 0.00 0.00 41.25 40.26 1a6x s ASN 110 CO 0.05 0.17 2.17 0.55 -2.79 0.00 0.00 177.10 177.25 1a6x n VAL 111 N 1.32 0.01 0.00 -5.21 3.14 -1.26 0.95 118.33 117.28 1a6x n VAL 111 Ca -0.18 -0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.19 1a6x n VAL 111 Cb 0.53 -0.54 0.00 0.00 -1.06 0.00 0.00 33.84 32.77 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 1.52 3.74 7.55 0.00 -0.70 -5.00 105.19 119.73 1a6x n GLY 112 Ca 0.55 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.35 7.47 0.38 1.61 1.01 0.27 -4.69 116.67 121.37 1a6x s ASP 113 Ca 0.00 1.75 -0.27 0.00 0.71 0.00 0.00 52.55 54.75 1a6x s ASP 113 Cb 0.00 -2.57 -0.11 0.00 1.01 0.00 0.00 42.92 41.25 1a6x s ASP 113 CO 0.00 0.01 1.20 0.41 0.21 0.00 0.00 175.17 177.01 1a6x n THR 114 N 2.44 2.25 -0.03 -1.27 -1.04 -1.26 -0.02 114.28 115.35 1a6x n THR 114 Ca 0.00 -0.50 -0.04 0.00 -2.04 0.00 0.00 64.05 61.47 1a6x n THR 114 Cb 0.49 -1.43 -0.05 0.00 -1.82 0.00 0.00 70.33 67.51 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 0.59 0.57 0.00 -4.42 7.94 0.26 -4.68 117.00 117.26 1a6x n LEU 115 Ca 0.07 -0.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.96 1a6x n LEU 115 Cb 0.37 0.08 0.00 0.00 0.53 0.00 0.00 43.42 44.40 1a6x n LEU 115 CO 0.60 0.25 0.00 0.00 -1.11 0.00 0.00 177.39 177.13 1a6x s ILE 117 N -2.68 1.18 -0.10 0.00 1.01 -0.39 -0.08 121.20 120.14 1a6x s ILE 117 Ca 0.00 -1.01 0.02 0.00 0.00 0.00 0.00 60.65 59.66 1a6x s ILE 117 Cb 0.00 -1.06 0.01 0.00 0.01 0.00 0.00 42.46 41.42 1a6x s ILE 117 CO 0.00 0.05 -0.15 -0.69 0.00 0.00 0.00 174.94 174.15 1a6x s VAL 118 N -0.82 1.42 -0.11 2.92 1.01 0.98 -0.12 120.40 125.68 1a6x s VAL 118 Ca 0.03 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.33 1a6x s VAL 118 Cb -0.08 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 1a6x s VAL 118 CO 0.01 0.42 0.14 -0.70 0.00 0.00 0.00 175.10 174.97 1a6x s GLU 119 N 0.91 3.42 0.23 2.72 2.12 -0.04 -0.57 118.70 127.49 1a6x s GLU 119 Ca -0.09 -0.16 0.04 0.00 0.36 0.00 0.00 54.97 55.13 1a6x s GLU 119 Cb -0.15 -3.17 -0.02 0.00 0.26 0.00 0.00 34.13 31.06 1a6x s GLU 119 CO 0.00 0.77 0.15 0.00 -0.54 0.00 0.00 175.26 175.64 1a6x n ALA 120 N 1.90 0.43 -1.34 6.30 0.00 0.79 0.27 120.51 128.86 1a6x n ALA 120 Ca -0.19 -1.29 -0.27 0.00 0.00 0.00 0.00 53.44 51.69 1a6x n ALA 120 Cb 0.55 0.98 -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 0.00 0.00 0.00 0.00 177.50 177.50 1a6x n MET 121 N -0.48 0.00 -4.15 0.00 0.00 -1.26 -0.38 117.12 110.85 1a6x n MET 121 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 57.70 57.28 1a6x n MET 121 Cb 0.39 -1.07 -0.01 0.00 0.00 0.00 0.00 33.22 32.53 1a6x n MET 121 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1a6x n LYS 122 N 6.00 -0.38 -3.62 3.17 0.00 -1.26 -4.93 118.16 117.15 1a6x n LYS 122 Ca 0.60 0.06 -0.02 0.00 0.00 0.00 0.00 58.31 58.95 1a6x n LYS 122 Cb 0.09 -2.70 -0.04 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 0.56 -0.23 1.64 -1.94 0.49 -5.14 119.30 107.21 1a6x s MET 123 Ca 0.37 1.33 -0.15 0.00 -1.71 0.00 0.00 55.69 55.54 1a6x s MET 123 Cb -0.21 0.71 -0.04 0.00 2.01 0.00 0.00 34.83 37.30 1a6x s MET 123 CO 0.98 -0.18 0.36 1.41 -0.01 0.00 0.00 175.02 177.58 1a6x s MET 124 N 2.64 4.12 0.19 2.03 1.75 -1.26 -0.15 119.30 128.61 1a6x s MET 124 Ca -0.06 0.09 0.09 0.00 -1.25 0.00 0.00 55.69 54.56 1a6x s MET 124 Cb -0.10 -3.57 -0.04 0.00 2.84 0.00 0.00 34.83 33.95 1a6x s MET 124 CO -0.19 -0.09 -0.18 -0.80 -0.65 0.00 0.00 175.02 173.11 1a6x s ASN 125 N 1.21 2.79 0.25 1.11 0.01 0.26 -5.02 114.94 115.56 1a6x s ASN 125 Ca 0.16 -0.93 0.10 0.00 -0.71 0.00 0.00 52.86 51.49 1a6x s ASN 125 Cb -0.15 -0.17 -0.05 0.00 0.41 0.00 0.00 41.25 41.29 1a6x s ASN 125 CO 0.08 -0.06 -0.11 -1.10 -1.51 0.00 0.00 177.10 174.40 1a6x s GLN 126 N -3.11 1.96 -0.23 -0.60 -0.21 -1.26 -0.02 119.66 116.19 1a6x s GLN 126 Ca 0.19 -1.53 -0.01 0.00 0.02 0.00 0.00 55.36 54.03 1a6x s GLN 126 Cb -0.04 -1.99 0.02 0.00 1.00 0.00 0.00 33.01 32.00 1a6x s GLN 126 CO 0.08 0.37 -0.08 0.42 -2.12 0.00 0.00 175.29 173.95 1a6x s ILE 127 N -2.22 2.80 -0.29 1.08 -1.09 0.89 -4.81 121.20 117.55 1a6x s ILE 127 Ca 0.29 -0.96 -0.14 0.00 -2.23 0.00 0.00 60.65 57.61 1a6x s ILE 127 Cb -0.06 -2.37 -0.03 0.00 -1.58 0.00 0.00 42.46 38.41 1a6x s ILE 127 CO 0.16 0.27 0.34 -1.83 -1.23 0.00 0.00 174.94 172.66 1a6x s GLU 128 N 1.33 3.88 0.07 2.79 -1.05 -1.26 0.92 118.70 125.37 1a6x s GLU 128 Ca 0.01 -0.14 -0.36 0.00 -0.15 0.00 0.00 54.97 54.33 1a6x s GLU 128 Cb -0.16 -3.70 -0.19 0.00 -0.44 0.00 0.00 34.13 29.64 1a6x s GLU 128 CO -0.06 -0.33 0.92 0.00 0.95 0.00 0.00 175.26 176.74 1a6x n ALA 129 N 5.31 -3.27 -0.08 -0.84 0.00 0.97 -4.69 120.51 117.91 1a6x n ALA 129 Ca -0.09 0.55 0.01 0.00 0.00 0.00 0.00 53.44 53.91 1a6x n ALA 129 Cb 0.51 -1.73 0.04 0.00 0.00 0.00 0.00 19.45 18.26 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 1.68 2.20 -2.98 0.00 2.03 -1.26 -1.73 116.55 116.49 1a6x n ASP 130 Ca 0.19 -2.05 -0.04 0.00 0.52 0.00 0.00 54.79 53.41 1a6x n ASP 130 Cb 0.14 -0.06 -0.01 0.00 -0.72 0.00 0.00 41.12 40.47 1a6x n ASP 130 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1a6x s LYS 131 N -1.09 0.96 0.06 -0.67 3.01 -1.26 -4.94 119.74 115.80 1a6x s LYS 131 Ca 0.06 -0.81 -0.35 0.00 -1.01 0.00 0.00 55.97 53.86 1a6x s LYS 131 Cb 0.04 -0.09 -0.18 0.00 -1.01 0.00 0.00 37.83 36.58 1a6x s LYS 131 CO 0.03 -1.28 0.86 -1.13 0.51 0.00 0.00 175.35 174.35 1a6x n SER 132 N 3.54 -0.37 -1.76 2.83 3.41 -1.26 -4.85 113.62 115.15 1a6x n SER 132 Ca 0.16 1.10 0.01 0.00 -0.26 0.00 0.00 58.87 59.88 1a6x n SER 132 Cb 0.55 -0.89 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 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 0.41 1.73 5.00 0.00 0.27 -4.55 105.19 109.63 1a6x n GLY 133 Ca 0.19 -0.87 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.25 0.00 -2.32 2.61 -1.04 -1.26 -0.46 114.28 111.56 1a6x n THR 134 Ca 0.01 -1.00 -0.39 0.00 -2.04 0.00 0.00 64.05 60.64 1a6x n THR 134 Cb 0.15 -0.27 -0.03 0.00 -1.82 0.00 0.00 70.33 68.36 1a6x n THR 134 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1a6x s VAL 135 N -1.25 3.20 0.00 12.58 0.11 -1.04 -0.39 120.40 133.60 1a6x s VAL 135 Ca 0.14 1.05 0.00 0.00 -2.93 0.00 0.00 61.98 60.24 1a6x s VAL 135 Cb -0.01 -3.61 0.00 0.00 -1.53 0.00 0.00 36.38 31.23 1a6x s VAL 135 CO 0.09 0.14 0.00 1.17 -3.33 0.00 0.00 175.10 173.17 1a6x n LYS 136 N 0.35 0.00 0.00 1.54 4.81 0.30 -4.40 118.16 120.76 1a6x n LYS 136 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 1a6x n LYS 136 Cb 0.46 -0.58 0.00 0.00 0.02 0.00 0.00 35.03 34.93 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 -2.63 0.00 -2.80 3.14 0.00 0.38 -4.95 120.51 113.66 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 0.38 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.74 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 -0.29 5.00 -0.14 0.00 1.01 -1.26 0.19 121.20 125.72 1a6x s ILE 138 Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 60.65 60.66 1a6x s ILE 138 Cb 0.00 -3.21 -0.08 0.00 0.01 0.00 0.00 42.46 39.18 1a6x s ILE 138 CO 0.00 0.53 -0.14 0.18 0.00 0.00 0.00 174.94 175.51 1a6x n LEU 139 N 2.79 2.29 -4.76 2.97 4.77 -0.45 -4.96 117.00 119.66 1a6x n LEU 139 Ca -0.18 0.01 -0.33 0.00 -0.03 0.00 0.00 56.01 55.48 1a6x n LEU 139 Cb 0.53 -0.45 0.06 0.00 -2.33 0.00 0.00 43.42 41.24 1a6x n LEU 139 CO 0.33 0.57 0.75 0.54 -1.33 0.00 0.00 177.39 178.25 1a6x s VAL 140 N -2.26 3.04 0.06 4.08 0.11 -0.40 -5.04 120.40 119.99 1a6x s VAL 140 Ca -0.18 0.48 0.06 0.00 -2.93 0.00 0.00 61.98 59.40 1a6x s VAL 140 Cb 0.06 -2.99 -0.04 0.00 -1.53 0.00 0.00 36.38 31.88 1a6x s VAL 140 CO 0.29 -0.31 -0.11 -0.70 -3.33 0.00 0.00 175.10 170.94 1a6x s GLU 141 N -4.11 2.24 -0.74 1.54 -6.30 -1.26 -4.98 118.70 105.08 1a6x s GLU 141 Ca 0.68 -0.93 -0.26 0.00 -2.50 0.00 0.00 54.97 51.96 1a6x s GLU 141 Cb -0.22 -2.33 -0.12 0.00 0.00 0.00 0.00 34.13 31.45 1a6x s GLU 141 CO 0.43 0.54 2.41 0.45 0.02 0.00 0.00 175.26 179.11 1a6x s SER 142 N -1.79 3.99 0.00 -1.70 0.15 -1.26 0.49 113.70 113.57 1a6x s SER 142 Ca 0.18 0.23 0.00 0.00 0.70 0.00 0.00 55.95 57.07 1a6x s SER 142 Cb -0.11 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 1a6x s SER 142 CO 0.10 -3.70 0.00 0.61 1.20 0.00 0.00 173.24 171.45 1a6x n GLY 143 N 6.67 1.75 3.75 9.45 0.00 0.85 -4.95 105.19 122.71 1a6x n GLY 143 Ca 0.45 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 2.74 0.68 1.61 0.74 0.18 -4.65 119.66 120.96 1a6x s GLN 144 Ca 0.00 1.79 -0.11 0.00 0.05 0.00 0.00 55.36 57.08 1a6x s GLN 144 Cb 0.00 -1.90 0.00 0.00 1.10 0.00 0.00 33.01 32.21 1a6x s GLN 144 CO 0.00 -1.38 1.06 -1.25 -0.55 0.00 0.00 175.29 173.17 1a6x s PRO 145 N -3.53 3.00 0.22 1.67 0.04 -1.26 -0.78 135.00 134.35 1a6x s PRO 145 Ca 0.76 0.99 0.09 0.00 0.04 0.00 0.00 61.00 62.88 1a6x s PRO 145 Cb -0.30 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.20 1a6x s PRO 145 CO 0.37 -1.05 -0.17 0.14 0.04 0.00 0.00 177.00 176.33 1a6x s VAL 146 N -2.96 1.99 0.13 -0.36 -7.23 0.11 -4.72 120.40 107.36 1a6x s VAL 146 Ca 0.59 -2.21 -0.01 0.00 -1.81 0.00 0.00 61.98 58.54 1a6x s VAL 146 Cb -0.14 -2.08 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 1a6x s VAL 146 CO 0.52 -0.47 0.06 -1.61 -0.31 0.00 0.00 175.10 173.29 1a6x s GLU 147 N -3.41 0.94 0.34 4.82 8.01 -1.26 -1.27 118.70 126.86 1a6x s GLU 147 Ca 0.23 -1.45 -0.29 0.00 0.01 0.00 0.00 54.97 53.48 1a6x s GLU 147 Cb -0.03 0.24 -0.11 0.00 -4.31 0.00 0.00 34.13 29.92 1a6x s GLU 147 CO 0.09 -0.27 1.51 0.34 0.01 0.00 0.00 175.26 176.94 1a6x n PHE 148 N -0.10 2.87 -1.42 1.61 7.35 -1.26 -0.80 117.46 125.70 1a6x n PHE 148 Ca -0.05 0.39 -0.15 0.00 -0.76 0.00 0.00 57.45 56.87 1a6x n PHE 148 Cb 0.64 -2.55 -0.06 0.00 0.35 0.00 0.00 39.48 37.86 1a6x n PHE 148 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1a6x n ASP 149 N 1.14 -4.16 -4.73 -2.13 5.68 -1.19 -4.90 116.55 106.25 1a6x n ASP 149 Ca 0.04 0.37 -0.40 0.00 -0.50 0.00 0.00 54.79 54.31 1a6x n ASP 149 Cb 0.38 -3.73 -0.05 0.00 -1.14 0.00 0.00 41.12 36.57 1a6x n ASP 149 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 1a6x s GLU 150 N -3.25 4.45 0.16 0.11 -6.30 0.02 -4.90 118.70 108.99 1a6x s GLU 150 Ca 0.00 0.97 -0.30 0.00 -2.50 0.00 0.00 54.97 53.14 1a6x s GLU 150 Cb 0.00 -3.40 -0.07 0.00 0.00 0.00 0.00 34.13 30.66 1a6x s GLU 150 CO 0.00 0.19 1.12 -1.25 0.02 0.00 0.00 175.26 175.35 1a6x s PRO 151 N 0.31 4.56 0.00 4.30 0.04 -1.26 0.24 135.00 143.18 1a6x s PRO 151 Ca 0.38 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.16 1a6x s PRO 151 Cb -0.19 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.07 1a6x s PRO 151 CO 0.21 0.01 0.00 1.28 0.04 0.00 0.00 177.00 178.54 1a6x n LEU 152 N 2.59 0.00 -4.32 -3.56 4.77 0.18 -4.54 117.00 112.12 1a6x n LEU 152 Ca 0.04 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.74 1a6x n LEU 152 Cb 0.46 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.41 1a6x n LEU 152 CO 0.54 0.00 -0.55 -0.69 -1.33 0.00 0.00 177.39 175.36 1a6x s VAL 153 N 0.00 1.98 -0.25 4.08 1.01 -1.14 -1.28 120.40 124.80 1a6x s VAL 153 Ca 0.00 -1.39 -0.09 0.00 0.00 0.00 0.00 61.98 60.50 1a6x s VAL 153 Cb 0.00 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 1a6x s VAL 153 CO 0.00 0.25 0.11 -0.69 0.00 0.00 0.00 175.10 174.78 1a6x s VAL 154 N -0.86 4.81 0.22 2.92 1.01 0.50 0.12 120.40 129.12 1a6x s VAL 154 Ca 0.10 -0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.16 1a6x s VAL 154 Cb -0.10 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 1a6x s VAL 154 CO 0.03 0.33 0.02 -0.63 0.00 0.00 0.00 175.10 174.85 1a6x s ILE 155 N 1.39 3.68 -2.67 2.22 1.09 -0.15 -0.47 121.20 126.28 1a6x s ILE 155 Ca 0.06 -1.63 0.21 0.00 -1.10 0.00 0.00 60.65 58.20 1a6x s ILE 155 Cb -0.15 -2.91 0.17 0.00 -1.06 0.00 0.00 42.46 38.51 1a6x s ILE 155 CO 0.06 -0.24 1.18 1.21 -0.10 0.00 0.00 174.94 177.04