#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 3.60 -3.79 0.03 4.71 -1.26 -4.89 120.64 119.04 1a6x n GLU 71 Ca 0.00 -3.68 -0.35 0.00 -0.01 0.00 0.00 57.16 53.12 1a6x n GLU 71 Cb 0.00 -2.93 -0.11 0.00 -1.01 0.00 0.00 31.44 27.39 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 0.51 3.43 0.00 0.62 0.00 -1.26 -4.92 121.76 120.14 1a6x s ALA 72 Ca 0.40 -3.14 -0.20 0.00 0.00 0.00 0.00 51.96 49.01 1a6x s ALA 72 Cb 0.06 -2.48 -0.22 0.00 0.00 0.00 0.00 23.12 20.48 1a6x s ALA 72 CO 0.01 -2.03 1.12 -1.00 0.00 0.00 0.00 175.76 173.86 1a6x h PRO 73 N 7.06 0.37 0.00 0.00 0.13 -2.03 -3.46 132.00 134.06 1a6x h PRO 73 Ca -0.05 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1a6x h PRO 73 Cb 0.95 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1a6x h PRO 73 CO 0.70 1.03 0.00 0.00 -0.23 0.00 0.00 178.00 179.50 1a6x n ALA 74 N -2.56 0.00 0.00 -0.56 0.00 -1.26 -4.75 120.51 111.38 1a6x n ALA 74 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1a6x n ALA 74 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 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 0.00 0.00 -3.13 0.00 0.00 -1.26 -4.69 120.51 111.43 1a6x n ALA 75 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1a6x n ALA 75 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 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 0.00 2.14 0.23 0.00 0.00 -1.26 -5.12 121.76 117.75 1a6x s ALA 76 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 50.99 1a6x s ALA 76 Cb 0.00 -0.78 -0.04 0.00 0.00 0.00 0.00 23.12 22.30 1a6x s ALA 76 CO 0.00 0.31 0.13 -1.21 0.00 0.00 0.00 175.76 174.99 1a6x s GLU 77 N 0.25 1.30 0.23 0.00 0.41 -1.26 -5.11 118.70 114.52 1a6x s GLU 77 Ca -0.16 -1.70 0.00 0.00 -0.41 0.00 0.00 54.97 52.70 1a6x s GLU 77 Cb -0.17 0.14 0.00 0.00 -1.78 0.00 0.00 34.13 32.31 1a6x s GLU 77 CO 0.08 -0.39 0.00 1.51 -0.49 0.00 0.00 175.26 175.97 1a6x n ILE 78 N -0.35 0.00 -2.70 -1.63 3.06 -1.26 -4.92 119.36 111.56 1a6x n ILE 78 Ca 0.02 0.08 -0.04 0.00 -2.50 0.00 0.00 62.75 60.30 1a6x n ILE 78 Cb 0.66 -0.38 0.04 0.00 0.54 0.00 0.00 39.64 40.50 1a6x n ILE 78 CO 0.00 0.00 0.00 -1.20 -2.50 0.00 0.00 176.55 172.85 1a6x n SER 79 N -4.34 -2.03 -3.62 9.51 7.64 -1.24 -5.15 113.62 114.39 1a6x n SER 79 Ca -0.00 -1.91 -0.33 0.00 1.01 0.00 0.00 58.87 57.64 1a6x n SER 79 Cb 0.60 1.10 0.03 0.00 -1.01 0.00 0.00 64.21 64.93 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 2.24 -3.77 3.10 0.23 0.00 -0.65 -4.91 105.19 101.43 1a6x n GLY 80 Ca 0.10 -0.55 -0.28 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.78 1.96 -0.31 1.61 -3.43 0.14 -4.89 115.29 108.59 1a6x s HIS 81 Ca 0.40 -0.80 -0.11 0.00 -0.80 0.00 0.00 55.06 53.75 1a6x s HIS 81 Cb -0.24 -1.37 -0.02 0.00 -1.43 0.00 0.00 32.58 29.51 1a6x s HIS 81 CO 0.69 -0.37 0.18 0.42 -2.00 0.00 0.00 174.74 173.67 1a6x s ILE 82 N 0.60 4.89 -0.19 -5.38 1.09 -1.26 -0.11 121.20 120.85 1a6x s ILE 82 Ca -0.15 -0.27 -0.29 0.00 -1.10 0.00 0.00 60.65 58.84 1a6x s ILE 82 Cb -0.16 -3.47 -0.02 0.00 -1.06 0.00 0.00 42.46 37.75 1a6x s ILE 82 CO 0.05 0.08 1.36 -0.69 -0.10 0.00 0.00 174.94 175.64 1a6x s VAL 83 N 1.67 4.10 -0.22 2.92 1.01 0.23 -4.89 120.40 125.21 1a6x s VAL 83 Ca 0.05 1.30 -0.07 0.00 0.00 0.00 0.00 61.98 63.27 1a6x s VAL 83 Cb -0.17 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 1a6x s VAL 83 CO 0.08 -0.22 0.06 -0.13 0.00 0.00 0.00 175.10 174.89 1a6x s ARG 84 N 3.84 3.74 -0.80 2.72 0.52 -1.26 0.18 118.95 127.89 1a6x s ARG 84 Ca 0.59 -0.45 -0.33 0.00 -0.52 0.00 0.00 55.73 55.02 1a6x s ARG 84 Cb -0.22 -3.25 -0.19 0.00 0.52 0.00 0.00 34.95 31.81 1a6x s ARG 84 CO 0.20 -0.02 2.53 0.45 0.02 0.00 0.00 175.30 178.48 1a6x n SER 85 N 4.40 0.76 0.00 0.23 2.88 0.14 -4.70 113.62 117.33 1a6x n SER 85 Ca -0.16 0.20 0.11 0.00 -1.33 0.00 0.00 58.87 57.69 1a6x n SER 85 Cb 0.52 -1.02 0.68 0.00 -0.75 0.00 0.00 64.21 63.63 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 8.37 0.75 -3.62 -1.46 -0.04 -1.26 -2.98 135.00 134.76 1a6x n PRO 86 Ca 0.59 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 64.01 1a6x n PRO 86 Cb 0.10 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 32.02 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 0.56 0.37 0.54 -1.94 -1.26 -4.99 119.30 110.58 1a6x s MET 87 Ca 0.34 1.12 -0.28 0.00 -1.71 0.00 0.00 55.69 55.15 1a6x s MET 87 Cb 0.16 0.35 -0.11 0.00 2.01 0.00 0.00 34.83 37.23 1a6x s MET 87 CO 0.26 -0.14 1.52 0.28 -0.01 0.00 0.00 175.02 176.93 1a6x n VAL 88 N 4.55 1.84 0.00 -6.03 0.31 -1.26 -4.70 118.33 113.04 1a6x n VAL 88 Ca -0.16 -0.46 0.00 0.00 -0.01 0.00 0.00 64.34 63.70 1a6x n VAL 88 Cb 0.55 -2.00 0.00 0.00 -0.91 0.00 0.00 33.84 31.49 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 0.71 -0.54 3.44 2.92 0.00 -0.53 -4.79 105.19 106.40 1a6x n GLY 89 Ca 0.02 0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.00 2.61 2.01 0.93 -0.32 115.64 122.29 1a6x s THR 90 Ca 0.00 -2.05 0.00 0.00 0.31 0.00 0.00 61.69 59.95 1a6x s THR 90 Cb 0.00 -2.63 0.01 0.00 0.01 0.00 0.00 72.50 69.89 1a6x s THR 90 CO 0.00 -0.16 0.01 0.12 -0.69 0.00 0.00 174.62 173.90 1a6x s PHE 91 N -3.14 0.01 0.15 4.92 2.19 0.10 -0.35 117.98 121.87 1a6x s PHE 91 Ca 0.33 0.03 0.06 0.00 0.33 0.00 0.00 56.93 57.68 1a6x s PHE 91 Cb 0.07 -0.06 -0.04 0.00 -1.31 0.00 0.00 43.02 41.67 1a6x s PHE 91 CO 0.14 -0.02 -0.13 0.71 1.83 0.00 0.00 175.22 177.74 1a6x s TYR 92 N 0.25 1.46 -0.45 10.12 2.02 0.74 0.16 117.35 131.65 1a6x s TYR 92 Ca -0.02 -0.62 0.15 0.00 -0.37 0.00 0.00 57.07 56.21 1a6x s TYR 92 Cb -0.03 -0.73 -0.19 0.00 -0.40 0.00 0.00 41.96 40.62 1a6x s TYR 92 CO -0.01 0.19 0.52 0.54 -1.57 0.00 0.00 175.55 175.22 1a6x n ARG 93 N 0.04 1.54 -4.13 -0.62 5.12 -1.26 -1.47 116.66 115.87 1a6x n ARG 93 Ca -0.12 -0.05 -0.12 0.00 -1.93 0.00 0.00 57.85 55.63 1a6x n ARG 93 Cb 0.59 -1.25 -0.11 0.00 -1.16 0.00 0.00 32.46 30.53 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 -2.63 0.68 -1.00 0.55 -4.23 -1.26 -1.31 115.64 106.44 1a6x s THR 94 Ca 0.01 -1.58 0.22 0.00 -1.18 0.00 0.00 61.69 59.16 1a6x s THR 94 Cb 0.11 -1.25 0.18 0.00 1.34 0.00 0.00 72.50 72.88 1a6x s THR 94 CO 0.61 -0.65 1.70 -0.81 -0.54 0.00 0.00 174.62 174.94 1a6x n PRO 95 N 0.59 0.00 -3.88 3.99 -0.04 -1.26 -4.86 135.00 129.55 1a6x n PRO 95 Ca -0.17 0.13 -0.08 0.00 -0.04 0.00 0.00 63.50 63.34 1a6x n PRO 95 Cb 0.58 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.52 1a6x n PRO 95 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1a6x s SER 96 N -3.02 -0.11 0.18 3.54 0.15 -1.26 -4.98 113.70 108.20 1a6x s SER 96 Ca 0.10 -0.84 0.03 0.00 0.70 0.00 0.00 55.95 55.94 1a6x s SER 96 Cb 0.14 0.74 0.05 0.00 -1.71 0.00 0.00 66.02 65.24 1a6x s SER 96 CO 0.40 -1.41 1.42 1.55 1.20 0.00 0.00 173.24 176.39 1a6x h PRO 97 N 2.04 0.22 -0.22 5.44 0.13 -1.97 -3.17 132.00 134.46 1a6x h PRO 97 Ca -0.24 -0.21 -0.05 0.00 -0.87 0.00 0.00 66.00 64.62 1a6x h PRO 97 Cb 1.25 0.06 -0.03 0.00 0.13 0.00 0.00 31.00 32.40 1a6x h PRO 97 CO 0.30 0.92 -0.04 -0.40 -0.23 0.00 0.00 178.00 178.54 1a6x n ASP 98 N -3.72 3.08 -4.92 1.44 5.75 -1.26 -5.00 116.55 111.92 1a6x n ASP 98 Ca -0.03 -3.29 -0.22 0.00 -0.01 0.00 0.00 54.79 51.23 1a6x n ASP 98 Cb 0.76 -0.55 -0.03 0.00 -1.03 0.00 0.00 41.12 40.27 1a6x n ASP 98 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1a6x s ALA 99 N -2.98 3.83 1.30 2.12 0.00 -1.20 -5.10 121.76 119.72 1a6x s ALA 99 Ca 0.41 -1.24 -0.18 0.00 0.00 0.00 0.00 51.96 50.95 1a6x s ALA 99 Cb 0.35 -1.61 0.33 0.00 0.00 0.00 0.00 23.12 22.19 1a6x s ALA 99 CO 0.04 0.31 0.98 0.15 0.00 0.00 0.00 175.76 177.24 1a6x s LYS 100 N -3.76 -1.97 -0.09 0.00 3.01 -1.26 -4.73 119.74 110.94 1a6x s LYS 100 Ca 0.34 0.49 -0.16 0.00 -1.01 0.00 0.00 55.97 55.63 1a6x s LYS 100 Cb -0.09 -1.46 -0.05 0.00 -1.01 0.00 0.00 37.83 35.22 1a6x s LYS 100 CO 0.28 -4.33 0.40 0.00 0.51 0.00 0.00 175.35 172.21 1a6x s ALA 101 N -2.36 3.58 0.29 5.17 0.00 -1.26 -4.15 121.76 123.03 1a6x s ALA 101 Ca 0.69 -0.27 0.03 0.00 0.00 0.00 0.00 51.96 52.40 1a6x s ALA 101 Cb -0.20 -2.50 0.61 0.00 0.00 0.00 0.00 23.12 21.04 1a6x s ALA 101 CO 0.62 0.17 1.83 0.74 0.00 0.00 0.00 175.76 179.12 1a6x h PHE 102 N 6.10 1.10 -3.25 0.00 0.04 -1.54 -3.38 116.94 116.01 1a6x h PHE 102 Ca -0.44 0.03 -0.44 0.00 2.80 0.00 0.00 57.97 59.92 1a6x h PHE 102 Cb 1.19 -0.35 -0.39 0.00 2.20 0.00 0.00 35.95 38.60 1a6x h PHE 102 CO 0.64 0.41 -0.76 0.96 -0.60 0.00 0.00 178.31 178.96 1a6x s ILE 103 N -5.91 0.29 -0.42 -0.55 -0.00 -1.26 -4.83 121.20 108.51 1a6x s ILE 103 Ca -0.12 0.03 -0.21 0.00 -0.00 0.00 0.00 60.65 60.35 1a6x s ILE 103 Cb 0.23 -0.56 0.02 0.00 -0.00 0.00 0.00 42.46 42.14 1a6x s ILE 103 CO 0.81 0.12 0.66 -1.61 -0.00 0.00 0.00 174.94 174.91 1a6x s GLU 104 N 2.00 3.37 -0.49 0.37 2.02 -1.26 -4.97 118.70 119.73 1a6x s GLU 104 Ca 0.04 -0.26 -0.46 0.00 0.02 0.00 0.00 54.97 54.31 1a6x s GLU 104 Cb -0.13 -3.92 -0.19 0.00 0.10 0.00 0.00 34.13 29.98 1a6x s GLU 104 CO -0.06 -0.97 1.82 0.28 0.02 0.00 0.00 175.26 176.35 1a6x n VAL 105 N 5.84 0.01 0.00 2.63 0.31 -1.26 -1.31 118.33 124.55 1a6x n VAL 105 Ca -0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1a6x n VAL 105 Cb 0.48 -0.53 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 5.39 1.98 3.62 2.92 0.00 -1.26 -5.10 105.19 112.74 1a6x n GLY 106 Ca 0.40 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.84 1.96 -0.18 1.61 0.74 -0.42 -5.06 119.66 117.47 1a6x s GLN 107 Ca 0.00 -2.13 -0.05 0.00 0.05 0.00 0.00 55.36 53.23 1a6x s GLN 107 Cb 0.00 -1.54 -0.03 0.00 1.10 0.00 0.00 33.01 32.54 1a6x s GLN 107 CO 0.00 -0.10 -0.00 0.15 -0.55 0.00 0.00 175.29 174.78 1a6x s LYS 108 N -3.75 3.69 0.04 1.67 1.02 -1.26 -4.02 119.74 117.12 1a6x s LYS 108 Ca 0.32 -0.50 0.07 0.00 0.02 0.00 0.00 55.97 55.88 1a6x s LYS 108 Cb 0.09 -3.04 -0.02 0.00 -0.52 0.00 0.00 37.83 34.33 1a6x s LYS 108 CO 0.16 0.13 -0.21 0.14 -0.92 0.00 0.00 175.35 174.65 1a6x s VAL 109 N 0.69 1.66 0.07 3.17 -7.23 -0.45 -5.00 120.40 113.31 1a6x s VAL 109 Ca -0.00 -1.16 0.07 0.00 -1.81 0.00 0.00 61.98 59.07 1a6x s VAL 109 Cb -0.14 -1.44 -0.03 0.00 0.56 0.00 0.00 36.38 35.34 1a6x s VAL 109 CO 0.02 0.24 -0.18 0.20 -0.31 0.00 0.00 175.10 175.07 1a6x s ASN 110 N -1.09 2.16 -0.56 4.85 -0.87 -1.26 -0.80 114.94 117.37 1a6x s ASN 110 Ca 0.07 -0.58 -0.42 0.00 -1.57 0.00 0.00 52.86 50.36 1a6x s ASN 110 Cb -0.09 -0.13 -0.19 0.00 -0.02 0.00 0.00 41.25 40.82 1a6x s ASN 110 CO 0.01 0.05 2.21 0.52 -2.57 0.00 0.00 177.10 177.33 1a6x n VAL 111 N 1.49 0.00 0.00 1.60 0.31 -1.26 -0.20 118.33 120.28 1a6x n VAL 111 Ca -0.19 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1a6x n VAL 111 Cb 0.54 -0.52 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 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 7.36 1.36 3.76 2.92 0.00 -1.12 -5.01 105.19 114.47 1a6x n GLY 112 Ca 0.56 0.00 -0.38 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 -1.03 6.83 0.48 1.61 1.11 0.73 -4.82 116.67 121.57 1a6x s ASP 113 Ca 0.00 0.99 -0.23 0.00 0.18 0.00 0.00 52.55 53.48 1a6x s ASP 113 Cb 0.00 -2.31 -0.08 0.00 1.07 0.00 0.00 42.92 41.60 1a6x s ASP 113 CO 0.00 0.11 1.26 0.41 1.18 0.00 0.00 175.17 178.13 1a6x n THR 114 N 2.91 3.08 -0.04 -1.27 -1.04 -1.26 -0.09 114.28 116.57 1a6x n THR 114 Ca -0.08 -0.50 -0.04 0.00 -2.04 0.00 0.00 64.05 61.38 1a6x n THR 114 Cb 0.51 -1.55 -0.07 0.00 -1.82 0.00 0.00 70.33 67.41 1a6x n THR 114 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1a6x n LEU 115 N -0.28 0.13 0.00 -4.42 4.77 0.32 -4.65 117.00 112.87 1a6x n LEU 115 Ca 0.09 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1a6x n LEU 115 Cb 0.42 0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1a6x n LEU 115 CO 0.56 0.23 0.00 0.00 -1.33 0.00 0.00 177.39 176.85 1a6x s ILE 117 N -2.71 1.68 -0.06 0.00 -1.09 -0.54 -1.23 121.20 117.26 1a6x s ILE 117 Ca 0.00 -2.16 -0.02 0.00 -2.23 0.00 0.00 60.65 56.24 1a6x s ILE 117 Cb 0.00 -2.00 0.04 0.00 -1.58 0.00 0.00 42.46 38.92 1a6x s ILE 117 CO 0.00 -0.58 0.12 -0.69 -1.23 0.00 0.00 174.94 172.56 1a6x s VAL 118 N -2.90 -0.08 0.04 2.92 1.01 0.79 -0.19 120.40 121.99 1a6x s VAL 118 Ca 0.21 0.22 -0.15 0.00 0.00 0.00 0.00 61.98 62.26 1a6x s VAL 118 Cb -0.01 -0.21 -0.06 0.00 0.00 0.00 0.00 36.38 36.10 1a6x s VAL 118 CO 0.06 0.09 0.46 -0.70 0.00 0.00 0.00 175.10 175.01 1a6x s GLU 119 N 1.31 3.97 0.21 2.72 2.12 0.53 -0.49 118.70 129.07 1a6x s GLU 119 Ca -0.07 0.47 0.04 0.00 0.36 0.00 0.00 54.97 55.77 1a6x s GLU 119 Cb -0.12 -3.17 -0.02 0.00 0.26 0.00 0.00 34.13 31.08 1a6x s GLU 119 CO -0.05 0.65 0.16 0.00 -0.54 0.00 0.00 175.26 175.47 1a6x n ALA 120 N 1.60 0.43 -1.51 6.30 0.00 0.44 -0.05 120.51 127.72 1a6x n ALA 120 Ca -0.12 -1.21 -0.26 0.00 0.00 0.00 0.00 53.44 51.86 1a6x n ALA 120 Cb 0.52 0.95 -0.19 0.00 0.00 0.00 0.00 19.45 20.73 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 -0.42 0.11 -4.35 0.00 2.81 -1.26 -1.05 117.12 112.95 1a6x n MET 121 Ca 0.03 -0.10 -0.33 0.00 -1.81 0.00 0.00 57.70 55.49 1a6x n MET 121 Cb 0.37 -1.53 -0.10 0.00 -0.71 0.00 0.00 33.22 31.26 1a6x n MET 121 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1a6x n LYS 122 N 6.68 -0.95 -3.66 0.03 5.02 -1.26 -4.90 118.16 119.12 1a6x n LYS 122 Ca 0.64 0.10 -0.06 0.00 -2.02 0.00 0.00 58.31 56.97 1a6x n LYS 122 Cb 0.17 -3.77 -0.07 0.00 -0.02 0.00 0.00 35.03 31.34 1a6x n LYS 122 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1a6x s MET 123 N -7.36 0.54 0.04 1.97 1.75 -0.22 -5.15 119.30 110.87 1a6x s MET 123 Ca 0.13 1.20 -0.21 0.00 -1.25 0.00 0.00 55.69 55.56 1a6x s MET 123 Cb -0.07 0.42 -0.06 0.00 2.84 0.00 0.00 34.83 37.95 1a6x s MET 123 CO 1.00 -0.19 0.61 1.41 -0.65 0.00 0.00 175.02 177.20 1a6x s MET 124 N 2.25 4.31 0.05 4.11 1.75 -1.26 -0.42 119.30 130.08 1a6x s MET 124 Ca -0.07 0.79 0.06 0.00 -1.25 0.00 0.00 55.69 55.22 1a6x s MET 124 Cb -0.09 -3.30 -0.02 0.00 2.84 0.00 0.00 34.83 34.25 1a6x s MET 124 CO -0.17 0.46 -0.16 -0.80 -0.65 0.00 0.00 175.02 173.70 1a6x s ASN 125 N -0.54 1.91 -0.04 1.11 0.01 0.35 -4.97 114.94 112.77 1a6x s ASN 125 Ca 0.31 -0.51 0.06 0.00 -0.71 0.00 0.00 52.86 52.02 1a6x s ASN 125 Cb -0.19 -0.12 -0.02 0.00 0.41 0.00 0.00 41.25 41.32 1a6x s ASN 125 CO 0.19 0.05 -0.22 -1.58 -1.51 0.00 0.00 177.10 174.03 1a6x s GLN 126 N -1.28 2.32 -0.29 -0.60 0.74 -1.26 -0.15 119.66 119.15 1a6x s GLN 126 Ca 0.03 -0.84 -0.09 0.00 0.05 0.00 0.00 55.36 54.51 1a6x s GLN 126 Cb -0.08 -2.18 -0.02 0.00 1.10 0.00 0.00 33.01 31.82 1a6x s GLN 126 CO 0.02 0.56 0.14 0.42 -0.55 0.00 0.00 175.29 175.87 1a6x s ILE 127 N -0.59 4.65 -0.22 -2.34 1.01 -0.37 -4.96 121.20 118.39 1a6x s ILE 127 Ca 0.09 -0.25 -0.09 0.00 0.00 0.00 0.00 60.65 60.40 1a6x s ILE 127 Cb -0.11 -3.29 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 1a6x s ILE 127 CO 0.00 0.17 0.11 -1.83 0.00 0.00 0.00 174.94 173.39 1a6x s GLU 128 N 1.64 3.97 0.06 2.79 1.03 -1.26 0.12 118.70 127.05 1a6x s GLU 128 Ca 0.06 -0.33 -0.36 0.00 0.03 0.00 0.00 54.97 54.36 1a6x s GLU 128 Cb -0.16 -3.37 -0.19 0.00 -0.80 0.00 0.00 34.13 29.61 1a6x s GLU 128 CO 0.06 0.11 0.92 0.00 -1.33 0.00 0.00 175.26 175.02 1a6x n ALA 129 N 4.06 -3.36 -0.34 -0.84 0.00 0.87 -4.77 120.51 116.14 1a6x n ALA 129 Ca -0.16 0.55 0.08 0.00 0.00 0.00 0.00 53.44 53.91 1a6x n ALA 129 Cb 0.52 -1.73 0.23 0.00 0.00 0.00 0.00 19.45 18.47 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 1.66 3.48 -3.15 0.00 4.64 -1.26 -2.80 116.55 119.12 1a6x n ASP 130 Ca 0.19 -2.13 0.06 0.00 -1.38 0.00 0.00 54.79 51.53 1a6x n ASP 130 Cb 0.13 -0.36 -0.01 0.00 -1.04 0.00 0.00 41.12 39.84 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 -1.24 0.10 0.57 -0.67 2.20 -1.26 -4.94 119.74 114.51 1a6x s LYS 131 Ca 0.35 0.15 -0.17 0.00 -0.36 0.00 0.00 55.97 55.94 1a6x s LYS 131 Cb 0.20 0.08 -0.14 0.00 -1.51 0.00 0.00 37.83 36.45 1a6x s LYS 131 CO 0.21 -0.13 -0.25 -1.13 -0.36 0.00 0.00 175.35 173.69 1a6x n SER 132 N 5.36 -3.95 -1.90 1.43 3.41 -1.26 -4.79 113.62 111.92 1a6x n SER 132 Ca -0.03 0.54 0.01 0.00 -0.26 0.00 0.00 58.87 59.13 1a6x n SER 132 Cb 0.56 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 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 2.58 0.61 2.43 5.00 0.00 0.02 -4.95 105.19 110.89 1a6x n GLY 133 Ca 0.06 -0.92 -0.21 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.29 0.88 -0.83 2.61 -1.04 -1.26 -1.35 114.28 113.00 1a6x n THR 134 Ca 0.01 -4.90 0.11 0.00 -2.04 0.00 0.00 64.05 57.22 1a6x n THR 134 Cb 0.19 -0.62 -0.03 0.00 -1.82 0.00 0.00 70.33 68.05 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 0.11 0.00 0.01 12.58 3.14 -1.26 -4.62 118.33 128.29 1a6x n VAL 135 Ca 0.27 0.06 0.00 0.00 -2.96 0.00 0.00 64.34 61.70 1a6x n VAL 135 Cb 0.57 -0.32 0.00 0.00 -1.06 0.00 0.00 33.84 33.03 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 -2.68 0.00 0.00 1.45 3.00 -0.85 -2.43 118.16 116.65 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 -2.43 0.00 -2.81 3.14 0.00 -0.23 -4.96 120.51 113.21 1a6x n ALA 137 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1a6x n ALA 137 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 -0.69 5.43 -0.19 0.00 -1.09 -1.26 0.33 121.20 123.72 1a6x s ILE 138 Ca 0.00 0.30 -0.07 0.00 -2.23 0.00 0.00 60.65 58.65 1a6x s ILE 138 Cb 0.00 -3.46 -0.09 0.00 -1.58 0.00 0.00 42.46 37.33 1a6x s ILE 138 CO 0.00 0.59 -0.23 0.18 -1.23 0.00 0.00 174.94 174.25 1a6x n LEU 139 N 2.15 1.73 -4.74 2.97 4.77 -0.46 -4.94 117.00 118.48 1a6x n LEU 139 Ca -0.19 0.16 -0.29 0.00 -0.03 0.00 0.00 56.01 55.66 1a6x n LEU 139 Cb 0.54 -0.58 0.14 0.00 -2.33 0.00 0.00 43.42 41.20 1a6x n LEU 139 CO 0.33 0.49 0.68 0.54 -1.33 0.00 0.00 177.39 178.10 1a6x s VAL 140 N -2.35 2.27 0.29 4.08 0.11 -0.17 -5.04 120.40 119.58 1a6x s VAL 140 Ca -0.26 0.09 0.11 0.00 -2.93 0.00 0.00 61.98 58.98 1a6x s VAL 140 Cb 0.09 -2.71 -0.05 0.00 -1.53 0.00 0.00 36.38 32.19 1a6x s VAL 140 CO 0.35 -0.11 -0.12 -0.70 -3.33 0.00 0.00 175.10 171.19 1a6x s GLU 141 N -5.10 1.88 -0.60 1.54 2.56 -1.26 -5.01 118.70 112.71 1a6x s GLU 141 Ca 0.64 -1.70 -0.27 0.00 0.00 0.00 0.00 54.97 53.63 1a6x s GLU 141 Cb -0.17 -1.87 0.00 0.00 2.00 0.00 0.00 34.13 34.10 1a6x s GLU 141 CO 0.55 0.30 1.54 0.45 -0.56 0.00 0.00 175.26 177.55 1a6x s SER 142 N -3.58 5.86 0.00 -1.70 0.15 -1.26 -1.95 113.70 111.22 1a6x s SER 142 Ca 0.31 0.21 0.00 0.00 0.70 0.00 0.00 55.95 57.17 1a6x s SER 142 Cb -0.04 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 1a6x s SER 142 CO 0.17 -1.94 0.00 0.61 1.20 0.00 0.00 173.24 173.28 1a6x n GLY 143 N 5.42 0.53 3.81 9.45 0.00 0.12 -4.91 105.19 119.63 1a6x n GLY 143 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.70 4.08 0.68 1.61 0.74 -0.83 -4.72 119.66 120.52 1a6x s GLN 144 Ca 0.00 1.20 -0.11 0.00 0.05 0.00 0.00 55.36 56.49 1a6x s GLN 144 Cb 0.00 -2.15 0.00 0.00 1.10 0.00 0.00 33.01 31.96 1a6x s GLN 144 CO 0.00 -0.17 1.06 -1.25 -0.55 0.00 0.00 175.29 174.38 1a6x s PRO 145 N -3.21 3.00 0.05 1.67 0.04 -1.26 -0.72 135.00 134.57 1a6x s PRO 145 Ca 0.64 0.99 -0.00 0.00 0.04 0.00 0.00 61.00 62.66 1a6x s PRO 145 Cb -0.11 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 1a6x s PRO 145 CO 0.16 -1.05 -0.04 0.14 0.04 0.00 0.00 177.00 176.25 1a6x s VAL 146 N -2.97 0.27 0.12 -0.36 -7.23 0.56 -4.77 120.40 106.02 1a6x s VAL 146 Ca 0.59 -1.64 0.05 0.00 -1.81 0.00 0.00 61.98 59.17 1a6x s VAL 146 Cb -0.14 -1.29 -0.04 0.00 0.56 0.00 0.00 36.38 35.47 1a6x s VAL 146 CO 0.52 -0.88 -0.13 -1.61 -0.31 0.00 0.00 175.10 172.70 1a6x s GLU 147 N -3.40 1.00 0.28 4.82 2.02 -1.26 -1.45 118.70 120.71 1a6x s GLU 147 Ca 0.03 -1.25 -0.30 0.00 0.02 0.00 0.00 54.97 53.47 1a6x s GLU 147 Cb 0.04 -0.80 -0.11 0.00 0.10 0.00 0.00 34.13 33.36 1a6x s GLU 147 CO -0.07 0.14 1.52 0.12 0.02 0.00 0.00 175.26 176.99 1a6x s PHE 148 N -2.35 2.84 0.00 1.61 2.19 -1.26 -1.08 117.98 119.94 1a6x s PHE 148 Ca 0.09 0.92 0.00 0.00 0.33 0.00 0.00 56.93 58.27 1a6x s PHE 148 Cb -0.04 -3.97 0.00 0.00 -1.31 0.00 0.00 43.02 37.71 1a6x s PHE 148 CO 0.02 -3.17 0.00 -3.47 1.83 0.00 0.00 175.22 170.44 1a6x n ASP 149 N 2.06 0.00 -4.85 6.13 2.03 -1.16 -5.00 116.55 115.76 1a6x n ASP 149 Ca 0.07 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 55.05 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 3.96 0.70 -0.67 0.41 -0.24 -4.89 118.70 117.80 1a6x s GLU 150 Ca 0.00 0.55 -0.11 0.00 -0.41 0.00 0.00 54.97 55.01 1a6x s GLU 150 Cb 0.00 -2.56 0.01 0.00 -1.78 0.00 0.00 34.13 29.80 1a6x s GLU 150 CO 0.00 0.24 1.06 -1.25 -0.49 0.00 0.00 175.26 174.83 1a6x s PRO 151 N -2.79 2.86 0.00 0.39 0.04 -1.26 0.25 135.00 134.49 1a6x s PRO 151 Ca 0.50 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.47 1a6x s PRO 151 Cb -0.11 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1a6x s PRO 151 CO 0.19 -1.15 0.00 1.28 0.04 0.00 0.00 177.00 177.36 1a6x n LEU 152 N -3.16 0.00 -4.41 -3.56 4.77 0.49 -4.60 117.00 106.54 1a6x n LEU 152 Ca 0.07 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.77 1a6x n LEU 152 Cb 0.54 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.50 1a6x n LEU 152 CO 0.56 0.00 -0.56 -0.69 -1.33 0.00 0.00 177.39 175.37 1a6x s VAL 153 N 0.00 2.33 -0.11 4.08 1.01 -1.19 -1.00 120.40 125.53 1a6x s VAL 153 Ca 0.00 -1.77 0.02 0.00 0.00 0.00 0.00 61.98 60.23 1a6x s VAL 153 Cb 0.00 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 1a6x s VAL 153 CO 0.00 0.06 -0.18 -0.69 0.00 0.00 0.00 175.10 174.29 1a6x s VAL 154 N -1.16 2.63 0.28 2.92 1.01 0.15 0.74 120.40 126.98 1a6x s VAL 154 Ca 0.15 -0.82 0.07 0.00 0.00 0.00 0.00 61.98 61.38 1a6x s VAL 154 Cb -0.10 -2.06 -0.06 0.00 0.00 0.00 0.00 36.38 34.17 1a6x s VAL 154 CO 0.07 0.55 -0.07 -0.63 0.00 0.00 0.00 175.10 175.01 1a6x s ILE 155 N 0.21 1.74 -2.89 2.22 1.01 0.85 -1.07 121.20 123.27 1a6x s ILE 155 Ca -0.11 -2.15 0.25 0.00 0.00 0.00 0.00 60.65 58.64 1a6x s ILE 155 Cb -0.16 -2.43 0.27 0.00 0.01 0.00 0.00 42.46 40.15 1a6x s ILE 155 CO 0.06 -0.32 1.37 1.21 0.00 0.00 0.00 174.94 177.27