#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 2.80 -3.33 3.17 -0.58 -1.26 -4.72 120.64 116.71 1a6x n GLU 71 Ca 0.00 -2.72 -0.13 0.00 -0.42 0.00 0.00 57.16 53.88 1a6x n GLU 71 Cb 0.00 -3.33 -0.07 0.00 -0.57 0.00 0.00 31.44 27.47 1a6x n GLU 71 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1a6x s ALA 72 N 3.89 -0.79 0.99 0.62 0.00 -1.26 -4.80 121.76 120.41 1a6x s ALA 72 Ca 0.50 -0.63 -0.15 0.00 0.00 0.00 0.00 51.96 51.68 1a6x s ALA 72 Cb 0.11 -2.14 0.18 0.00 0.00 0.00 0.00 23.12 21.28 1a6x s ALA 72 CO -0.02 -2.08 1.17 -1.25 0.00 0.00 0.00 175.76 173.59 1a6x s PRO 73 N 1.68 0.51 0.30 0.00 0.04 -1.26 -4.98 135.00 131.28 1a6x s PRO 73 Ca 0.15 0.05 0.02 0.00 0.04 0.00 0.00 61.00 61.27 1a6x s PRO 73 Cb -0.13 -1.79 -0.05 0.00 0.04 0.00 0.00 34.50 32.57 1a6x s PRO 73 CO -0.09 -2.58 0.12 0.00 0.04 0.00 0.00 177.00 174.49 1a6x s ALA 74 N -3.36 2.00 -0.11 8.56 0.00 -1.26 -5.00 121.76 122.58 1a6x s ALA 74 Ca 0.68 -1.79 -0.08 0.00 0.00 0.00 0.00 51.96 50.77 1a6x s ALA 74 Cb -0.11 1.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.99 1a6x s ALA 74 CO 0.54 -0.45 -0.15 0.00 0.00 0.00 0.00 175.76 175.70 1a6x n ALA 75 N -0.58 0.39 -2.97 0.00 0.00 -1.26 -4.85 120.51 111.24 1a6x n ALA 75 Ca -0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 53.44 52.90 1a6x n ALA 75 Cb 0.66 0.01 0.02 0.00 0.00 0.00 0.00 19.45 20.14 1a6x n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a6x n ALA 76 N -3.40 0.65 -2.12 0.00 0.00 -1.26 -5.08 120.51 109.29 1a6x n ALA 76 Ca -0.06 -2.47 0.00 0.00 0.00 0.00 0.00 53.44 50.91 1a6x n ALA 76 Cb 0.23 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1a6x n ALA 76 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1a6x n GLU 77 N 0.57 -5.83 -3.98 0.00 0.00 -1.26 -5.05 120.64 105.09 1a6x n GLU 77 Ca 0.16 4.11 -0.12 0.00 0.00 0.00 0.00 57.16 61.31 1a6x n GLU 77 Cb 0.66 -4.44 -0.13 0.00 0.00 0.00 0.00 31.44 27.53 1a6x n GLU 77 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.13 175.63 1a6x s ILE 78 N -0.59 0.17 -0.37 6.31 1.10 -1.26 -5.11 121.20 121.45 1a6x s ILE 78 Ca 0.00 -0.48 -0.01 0.00 -0.51 0.00 0.00 60.65 59.65 1a6x s ILE 78 Cb 0.00 -0.22 0.18 0.00 0.15 0.00 0.00 42.46 42.57 1a6x s ILE 78 CO 0.00 -0.20 0.84 -0.94 -2.11 0.00 0.00 174.94 172.53 1a6x s SER 79 N -0.72 -0.94 0.00 4.50 1.04 -1.26 -5.08 113.70 111.25 1a6x s SER 79 Ca -0.06 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.86 1a6x s SER 79 Cb -0.05 1.20 0.00 0.00 0.10 0.00 0.00 66.02 67.27 1a6x s SER 79 CO -0.00 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.73 1a6x n GLY 80 N 4.00 0.95 3.71 7.32 0.00 -1.25 -4.89 105.19 115.03 1a6x n GLY 80 Ca 0.09 -0.07 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 1a6x n GLY 80 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1a6x s HIS 81 N 0.00 2.73 -0.10 1.61 0.09 0.14 -4.93 115.29 114.83 1a6x s HIS 81 Ca 0.00 -0.31 -0.03 0.00 -0.00 0.00 0.00 55.06 54.72 1a6x s HIS 81 Cb 0.00 -1.46 0.04 0.00 -0.00 0.00 0.00 32.58 31.16 1a6x s HIS 81 CO 0.00 0.45 0.06 0.42 -0.00 0.00 0.00 174.74 175.67 1a6x s ILE 82 N -2.37 0.02 -0.25 0.60 1.09 -1.26 -0.38 121.20 118.65 1a6x s ILE 82 Ca 0.35 0.12 -0.29 0.00 -1.10 0.00 0.00 60.65 59.73 1a6x s ILE 82 Cb -0.04 -0.41 0.00 0.00 -1.06 0.00 0.00 42.46 40.95 1a6x s ILE 82 CO 0.22 0.02 1.19 -0.69 -0.10 0.00 0.00 174.94 175.57 1a6x s VAL 83 N 2.11 4.37 -0.18 2.92 1.01 0.14 -4.95 120.40 125.81 1a6x s VAL 83 Ca 0.04 1.61 -0.05 0.00 0.00 0.00 0.00 61.98 63.58 1a6x s VAL 83 Cb -0.14 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 1a6x s VAL 83 CO -0.06 -0.31 -0.00 -0.13 0.00 0.00 0.00 175.10 174.60 1a6x s ARG 84 N 3.66 3.69 -0.84 2.72 0.52 -1.26 0.76 118.95 128.19 1a6x s ARG 84 Ca 0.51 -0.49 -0.33 0.00 -0.52 0.00 0.00 55.73 54.90 1a6x s ARG 84 Cb -0.17 -3.05 -0.20 0.00 0.52 0.00 0.00 34.95 32.05 1a6x s ARG 84 CO 0.15 0.12 2.56 0.45 0.02 0.00 0.00 175.30 178.60 1a6x n SER 85 N 3.93 0.65 0.00 0.23 2.88 0.14 -4.70 113.62 116.75 1a6x n SER 85 Ca -0.17 0.20 0.11 0.00 -1.33 0.00 0.00 58.87 57.68 1a6x n SER 85 Cb 0.52 -1.00 0.67 0.00 -0.75 0.00 0.00 64.21 63.65 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 8.38 0.74 -3.58 -1.46 -0.04 -1.26 -3.24 135.00 134.55 1a6x n PRO 86 Ca 0.60 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 64.05 1a6x n PRO 86 Cb 0.08 -1.47 -0.06 0.00 -0.04 0.00 0.00 33.50 32.01 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 0.39 0.35 0.54 -1.94 -1.26 -5.02 119.30 110.36 1a6x s MET 87 Ca 0.34 0.76 -0.28 0.00 -1.71 0.00 0.00 55.69 54.79 1a6x s MET 87 Cb 0.15 0.22 -0.12 0.00 2.01 0.00 0.00 34.83 37.10 1a6x s MET 87 CO 0.26 -0.10 1.43 0.28 -0.01 0.00 0.00 175.02 176.89 1a6x n VAL 88 N 4.19 1.81 0.00 -6.03 0.31 -1.26 -4.74 118.33 112.61 1a6x n VAL 88 Ca -0.16 -0.45 0.00 0.00 -0.01 0.00 0.00 64.34 63.72 1a6x n VAL 88 Cb 0.56 -1.82 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 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 0.87 -0.54 3.39 2.92 0.00 -0.54 -4.82 105.19 106.47 1a6x n GLY 89 Ca 0.04 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 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 1.64 -0.03 2.61 2.01 0.14 -0.62 115.64 121.39 1a6x s THR 90 Ca 0.00 -2.16 0.02 0.00 0.31 0.00 0.00 61.69 59.86 1a6x s THR 90 Cb 0.00 -2.28 0.01 0.00 0.01 0.00 0.00 72.50 70.24 1a6x s THR 90 CO 0.00 -0.42 -0.06 0.12 -0.69 0.00 0.00 174.62 173.57 1a6x s PHE 91 N -3.02 0.76 0.10 4.92 2.19 -0.11 -0.86 117.98 121.96 1a6x s PHE 91 Ca 0.27 -0.19 0.07 0.00 0.33 0.00 0.00 56.93 57.41 1a6x s PHE 91 Cb 0.02 -0.59 -0.03 0.00 -1.31 0.00 0.00 43.02 41.11 1a6x s PHE 91 CO 0.10 -0.11 -0.17 0.71 1.83 0.00 0.00 175.22 177.57 1a6x s TYR 92 N 0.41 1.54 -0.66 10.12 2.02 0.06 0.83 117.35 131.66 1a6x s TYR 92 Ca -0.06 -0.47 0.22 0.00 -0.37 0.00 0.00 57.07 56.39 1a6x s TYR 92 Cb -0.10 -0.83 -0.23 0.00 -0.40 0.00 0.00 41.96 40.40 1a6x s TYR 92 CO 0.00 0.16 0.78 0.54 -1.57 0.00 0.00 175.55 175.47 1a6x n ARG 93 N 0.93 0.24 -4.12 -0.62 5.12 -1.26 -1.37 116.66 115.58 1a6x n ARG 93 Ca -0.18 -0.06 -0.12 0.00 -1.93 0.00 0.00 57.85 55.56 1a6x n ARG 93 Cb 0.55 -1.51 -0.11 0.00 -1.16 0.00 0.00 32.46 30.23 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 -3.18 0.62 0.18 0.55 -4.23 -1.26 -1.36 115.64 106.95 1a6x s THR 94 Ca 0.03 -1.56 0.11 0.00 -1.18 0.00 0.00 61.69 59.09 1a6x s THR 94 Cb 0.15 -1.21 -0.04 0.00 1.34 0.00 0.00 72.50 72.74 1a6x s THR 94 CO 0.87 -0.66 1.53 1.55 -0.54 0.00 0.00 174.62 177.38 1a6x h PRO 95 N 3.64 0.00 -4.19 3.99 0.13 -1.89 -3.47 132.00 130.22 1a6x h PRO 95 Ca -0.35 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 0.67 -0.21 0.45 -0.23 0.00 0.00 178.00 179.22 1a6x s SER 96 N -6.71 1.00 0.08 1.44 0.15 -1.26 -5.04 113.70 103.36 1a6x s SER 96 Ca -0.00 -1.52 -0.14 0.00 0.70 0.00 0.00 55.95 55.00 1a6x s SER 96 Cb 0.11 0.66 -0.21 0.00 -1.71 0.00 0.00 66.02 64.87 1a6x s SER 96 CO 0.76 -1.29 1.23 1.55 1.20 0.00 0.00 173.24 176.70 1a6x h PRO 97 N 2.11 0.74 -0.97 5.44 0.13 -1.99 -3.20 132.00 134.26 1a6x h PRO 97 Ca -0.28 -0.72 -0.60 0.00 -0.87 0.00 0.00 66.00 63.53 1a6x h PRO 97 Cb 1.24 0.19 -0.30 0.00 0.13 0.00 0.00 31.00 32.26 1a6x h PRO 97 CO 0.38 1.30 0.70 -3.47 -0.23 0.00 0.00 178.00 176.69 1a6x n ASP 98 N -3.89 6.11 -4.40 1.44 -0.08 -1.26 -4.93 116.55 109.53 1a6x n ASP 98 Ca -0.10 -3.73 -0.27 0.00 -1.51 0.00 0.00 54.79 49.18 1a6x n ASP 98 Cb 0.83 -0.90 -0.12 0.00 2.34 0.00 0.00 41.12 43.27 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 -3.63 2.43 1.00 -1.67 0.00 -1.21 -5.13 121.76 113.55 1a6x s ALA 99 Ca 0.61 -1.56 -0.12 0.00 0.00 0.00 0.00 51.96 50.89 1a6x s ALA 99 Cb 0.49 -0.34 0.19 0.00 0.00 0.00 0.00 23.12 23.47 1a6x s ALA 99 CO 0.03 0.46 1.08 0.15 0.00 0.00 0.00 175.76 177.49 1a6x s LYS 100 N -2.42 0.38 0.07 0.00 1.02 -1.26 -4.78 119.74 112.75 1a6x s LYS 100 Ca 0.17 0.65 -0.29 0.00 0.02 0.00 0.00 55.97 56.52 1a6x s LYS 100 Cb -0.09 -1.72 -0.05 0.00 -0.52 0.00 0.00 37.83 35.45 1a6x s LYS 100 CO 0.08 -2.79 0.94 0.00 -0.92 0.00 0.00 175.35 172.65 1a6x s ALA 101 N -2.87 3.23 0.29 5.17 0.00 -1.26 -4.39 121.76 121.93 1a6x s ALA 101 Ca 0.65 0.52 0.03 0.00 0.00 0.00 0.00 51.96 53.17 1a6x s ALA 101 Cb -0.20 -3.26 0.62 0.00 0.00 0.00 0.00 23.12 20.29 1a6x s ALA 101 CO 0.59 -0.08 1.82 0.74 0.00 0.00 0.00 175.76 178.82 1a6x h PHE 102 N 5.99 1.12 -3.18 0.00 0.04 -1.56 -3.38 116.94 115.97 1a6x h PHE 102 Ca -0.42 0.03 -0.53 0.00 2.80 0.00 0.00 57.97 59.85 1a6x h PHE 102 Cb 1.21 -0.35 -0.37 0.00 2.20 0.00 0.00 35.95 38.64 1a6x h PHE 102 CO 0.66 0.38 -0.80 -1.50 -0.60 0.00 0.00 178.31 176.44 1a6x s ILE 103 N -5.92 1.05 -0.45 -0.55 2.07 -1.26 -4.84 121.20 111.29 1a6x s ILE 103 Ca -0.12 -0.31 -0.20 0.00 -1.41 0.00 0.00 60.65 58.62 1a6x s ILE 103 Cb 0.23 -1.07 0.03 0.00 0.13 0.00 0.00 42.46 41.78 1a6x s ILE 103 CO 0.81 0.36 0.59 -0.70 -1.91 0.00 0.00 174.94 174.09 1a6x s GLU 104 N 1.70 3.21 -0.49 3.50 2.12 -1.26 -4.98 118.70 122.49 1a6x s GLU 104 Ca 0.05 -0.56 -0.46 0.00 0.36 0.00 0.00 54.97 54.37 1a6x s GLU 104 Cb -0.13 -3.98 -0.19 0.00 0.26 0.00 0.00 34.13 30.09 1a6x s GLU 104 CO -0.08 -1.01 1.83 0.28 -0.54 0.00 0.00 175.26 175.74 1a6x n VAL 105 N 5.71 0.01 0.00 3.70 0.31 -1.26 -1.16 118.33 125.64 1a6x n VAL 105 Ca -0.04 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1a6x n VAL 105 Cb 0.47 -0.52 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 5.49 1.83 3.52 2.92 0.00 -1.26 -5.10 105.19 112.58 1a6x n GLY 106 Ca 0.41 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.80 1.76 -0.27 1.61 -0.44 -0.31 -5.06 119.66 116.15 1a6x s GLN 107 Ca 0.00 -1.91 -0.08 0.00 -2.50 0.00 0.00 55.36 50.86 1a6x s GLN 107 Cb 0.00 -1.52 -0.02 0.00 -1.64 0.00 0.00 33.01 29.83 1a6x s GLN 107 CO 0.00 0.08 0.10 0.21 0.50 0.00 0.00 175.29 176.18 1a6x s LYS 108 N -3.66 3.58 -0.07 1.67 2.20 -1.26 -4.04 119.74 118.16 1a6x s LYS 108 Ca 0.32 -0.53 0.03 0.00 -0.36 0.00 0.00 55.97 55.43 1a6x s LYS 108 Cb 0.04 -3.42 -0.02 0.00 -1.51 0.00 0.00 37.83 32.92 1a6x s LYS 108 CO 0.15 -0.25 -0.16 0.14 -0.36 0.00 0.00 175.35 174.88 1a6x s VAL 109 N 1.62 2.91 0.08 4.02 -7.23 -0.52 -5.00 120.40 116.28 1a6x s VAL 109 Ca 0.06 -0.76 0.09 0.00 -1.81 0.00 0.00 61.98 59.56 1a6x s VAL 109 Cb -0.16 -2.15 -0.03 0.00 0.56 0.00 0.00 36.38 34.60 1a6x s VAL 109 CO 0.05 0.57 -0.23 0.54 -0.31 0.00 0.00 175.10 175.72 1a6x s ASN 110 N -0.40 3.47 -0.53 4.85 2.20 -1.26 -0.83 114.94 122.44 1a6x s ASN 110 Ca 0.04 -0.59 -0.43 0.00 -0.94 0.00 0.00 52.86 50.95 1a6x s ASN 110 Cb -0.12 -0.39 -0.19 0.00 -2.00 0.00 0.00 41.25 38.55 1a6x s ASN 110 CO 0.02 0.23 2.17 0.55 -2.94 0.00 0.00 177.10 177.13 1a6x n VAL 111 N 1.36 0.00 0.00 3.54 3.14 -1.26 -0.51 118.33 124.60 1a6x n VAL 111 Ca -0.17 -0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 1a6x n VAL 111 Cb 0.52 -0.52 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 7.42 1.12 3.81 7.55 0.00 -0.88 -4.99 105.19 119.22 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 -1.06 6.65 0.46 1.61 1.11 0.33 -4.83 116.67 120.95 1a6x s ASP 113 Ca 0.00 0.78 -0.24 0.00 0.18 0.00 0.00 52.55 53.26 1a6x s ASP 113 Cb 0.00 -2.21 -0.08 0.00 1.07 0.00 0.00 42.92 41.69 1a6x s ASP 113 CO 0.00 0.25 1.31 0.41 1.18 0.00 0.00 175.17 178.32 1a6x n THR 114 N 2.44 2.89 -0.04 -1.27 -1.04 -1.26 -0.84 114.28 115.15 1a6x n THR 114 Ca -0.14 -0.50 -0.04 0.00 -2.04 0.00 0.00 64.05 61.33 1a6x n THR 114 Cb 0.53 -1.63 -0.06 0.00 -1.82 0.00 0.00 70.33 67.34 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 -0.14 0.25 0.00 -4.42 7.94 0.11 -4.64 117.00 116.11 1a6x n LEU 115 Ca 0.07 -0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.97 1a6x n LEU 115 Cb 0.41 0.15 0.00 0.00 0.53 0.00 0.00 43.42 44.51 1a6x n LEU 115 CO 0.58 0.24 0.00 0.00 -1.11 0.00 0.00 177.39 177.10 1a6x s ILE 117 N -3.00 1.37 -0.05 0.00 -1.09 -0.47 -1.49 121.20 116.47 1a6x s ILE 117 Ca 0.00 -1.73 0.01 0.00 -2.23 0.00 0.00 60.65 56.70 1a6x s ILE 117 Cb 0.00 -1.55 0.02 0.00 -1.58 0.00 0.00 42.46 39.35 1a6x s ILE 117 CO 0.00 -0.40 -0.04 -0.69 -1.23 0.00 0.00 174.94 172.58 1a6x s VAL 118 N -2.12 0.55 -0.15 2.92 1.01 0.49 -0.76 120.40 122.34 1a6x s VAL 118 Ca 0.09 -0.09 -0.07 0.00 0.00 0.00 0.00 61.98 61.91 1a6x s VAL 118 Cb -0.05 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 1a6x s VAL 118 CO 0.03 0.24 0.10 -0.70 0.00 0.00 0.00 175.10 174.78 1a6x s GLU 119 N 1.15 3.68 0.25 2.72 2.12 -0.04 -0.04 118.70 128.54 1a6x s GLU 119 Ca -0.07 -0.23 0.02 0.00 0.36 0.00 0.00 54.97 55.05 1a6x s GLU 119 Cb -0.14 -3.20 -0.01 0.00 0.26 0.00 0.00 34.13 31.04 1a6x s GLU 119 CO -0.01 0.55 0.09 0.00 -0.54 0.00 0.00 175.26 175.35 1a6x n ALA 120 N 2.69 0.35 -1.52 6.30 0.00 0.50 0.23 120.51 129.06 1a6x n ALA 120 Ca -0.18 -1.28 -0.24 0.00 0.00 0.00 0.00 53.44 51.74 1a6x n ALA 120 Cb 0.54 0.86 -0.18 0.00 0.00 0.00 0.00 19.45 20.67 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 -0.57 0.17 -4.17 0.00 2.81 -1.26 -1.04 117.12 113.06 1a6x n MET 121 Ca -0.04 -0.18 -0.30 0.00 -1.81 0.00 0.00 57.70 55.37 1a6x n MET 121 Cb 0.38 -1.76 -0.06 0.00 -0.71 0.00 0.00 33.22 31.07 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 6.80 -2.20 -3.42 0.03 3.00 -1.26 -4.92 118.16 116.19 1a6x n LYS 122 Ca 0.62 0.26 -0.04 0.00 -0.00 0.00 0.00 58.31 59.15 1a6x n LYS 122 Cb 0.21 -4.26 -0.06 0.00 0.00 0.00 0.00 35.03 30.92 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 -6.97 0.45 0.24 1.64 -1.94 -0.20 -5.15 119.30 107.36 1a6x s MET 123 Ca 0.16 0.95 -0.23 0.00 -1.71 0.00 0.00 55.69 54.87 1a6x s MET 123 Cb -0.09 0.25 -0.09 0.00 2.01 0.00 0.00 34.83 36.92 1a6x s MET 123 CO 0.95 -0.47 0.80 1.41 -0.01 0.00 0.00 175.02 177.70 1a6x s MET 124 N 2.72 4.42 0.04 2.03 1.75 -1.26 -0.37 119.30 128.63 1a6x s MET 124 Ca 0.08 1.06 0.00 0.00 -1.25 0.00 0.00 55.69 55.59 1a6x s MET 124 Cb -0.14 -2.95 -0.03 0.00 2.84 0.00 0.00 34.83 34.55 1a6x s MET 124 CO -0.17 0.41 -0.04 -0.80 -0.65 0.00 0.00 175.02 173.76 1a6x s ASN 125 N -1.52 0.53 0.04 1.11 0.01 0.95 -4.96 114.94 111.11 1a6x s ASN 125 Ca 0.43 -0.76 0.08 0.00 -0.71 0.00 0.00 52.86 51.90 1a6x s ASN 125 Cb -0.19 0.13 -0.03 0.00 0.41 0.00 0.00 41.25 41.57 1a6x s ASN 125 CO 0.23 -0.42 -0.23 -1.10 -1.51 0.00 0.00 177.10 174.07 1a6x s GLN 126 N -2.71 1.55 -0.30 -0.60 1.11 -1.26 -0.38 119.66 117.08 1a6x s GLN 126 Ca -0.03 -1.01 -0.09 0.00 0.01 0.00 0.00 55.36 54.24 1a6x s GLN 126 Cb -0.01 -1.70 -0.01 0.00 -1.01 0.00 0.00 33.01 30.28 1a6x s GLN 126 CO -0.05 0.44 0.14 0.42 0.01 0.00 0.00 175.29 176.25 1a6x s ILE 127 N -0.80 4.59 -0.36 1.08 1.01 -0.55 -4.92 121.20 121.25 1a6x s ILE 127 Ca 0.09 -0.33 -0.13 0.00 0.00 0.00 0.00 60.65 60.29 1a6x s ILE 127 Cb -0.09 -3.29 0.00 0.00 0.01 0.00 0.00 42.46 39.09 1a6x s ILE 127 CO 0.02 0.14 0.24 -0.70 0.00 0.00 0.00 174.94 174.64 1a6x s GLU 128 N 1.62 3.24 0.06 2.79 2.12 -1.26 0.10 118.70 127.37 1a6x s GLU 128 Ca 0.05 -0.81 -0.36 0.00 0.36 0.00 0.00 54.97 54.20 1a6x s GLU 128 Cb -0.17 -3.82 -0.19 0.00 0.26 0.00 0.00 34.13 30.22 1a6x s GLU 128 CO 0.06 -0.56 0.93 0.00 -0.54 0.00 0.00 175.26 175.15 1a6x n ALA 129 N 5.09 -3.31 -0.44 6.30 0.00 -0.02 -4.74 120.51 123.40 1a6x n ALA 129 Ca -0.12 0.55 0.05 0.00 0.00 0.00 0.00 53.44 53.92 1a6x n ALA 129 Cb 0.48 -1.73 0.13 0.00 0.00 0.00 0.00 19.45 18.33 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 1.67 2.78 -3.13 0.00 -0.08 -1.26 -2.07 116.55 114.46 1a6x n ASP 130 Ca 0.19 -2.38 0.04 0.00 -1.51 0.00 0.00 54.79 51.13 1a6x n ASP 130 Cb 0.13 -0.26 -0.00 0.00 2.34 0.00 0.00 41.12 43.33 1a6x n ASP 130 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 1a6x s LYS 131 N -1.67 0.45 0.70 -0.67 -2.85 -1.26 -4.92 119.74 109.52 1a6x s LYS 131 Ca 0.22 0.26 -0.17 0.00 -1.00 0.00 0.00 55.97 55.28 1a6x s LYS 131 Cb 0.16 0.15 -0.14 0.00 -2.06 0.00 0.00 37.83 35.94 1a6x s LYS 131 CO 0.08 -0.78 -0.43 0.43 0.10 0.00 0.00 175.35 174.76 1a6x n SER 132 N 5.03 -4.57 -1.81 0.03 7.64 -1.26 -4.82 113.62 113.87 1a6x n SER 132 Ca 0.07 0.41 0.01 0.00 1.01 0.00 0.00 58.87 60.37 1a6x n SER 132 Cb 0.56 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 1a6x n SER 132 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1a6x n GLY 133 N 2.83 0.59 2.40 0.23 0.00 -0.01 -4.90 105.19 106.34 1a6x n GLY 133 Ca 0.03 -0.91 -0.19 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 -0.26 0.68 -0.83 2.61 -1.04 -1.07 -1.44 114.28 112.93 1a6x n THR 134 Ca 0.01 -4.65 0.10 0.00 -2.04 0.00 0.00 64.05 57.48 1a6x n THR 134 Cb 0.17 -0.43 -0.03 0.00 -1.82 0.00 0.00 70.33 68.22 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 0.12 0.00 0.00 12.58 3.14 -1.26 -4.55 118.33 128.36 1a6x n VAL 135 Ca 0.25 0.05 0.00 0.00 -2.96 0.00 0.00 64.34 61.68 1a6x n VAL 135 Cb 0.62 -0.32 0.00 0.00 -1.06 0.00 0.00 33.84 33.08 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 -2.66 0.00 0.00 1.45 4.81 -0.30 -1.73 118.16 119.72 1a6x n LYS 136 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1a6x n LYS 136 Cb 0.59 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.64 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 -2.37 0.00 -2.76 3.14 0.00 -0.07 -4.98 120.51 113.48 1a6x n ALA 137 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1a6x n ALA 137 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 5.37 -0.20 0.00 -1.09 -1.26 -0.37 121.20 123.35 1a6x s ILE 138 Ca 0.00 0.36 -0.04 0.00 -2.23 0.00 0.00 60.65 58.74 1a6x s ILE 138 Cb 0.00 -3.51 -0.11 0.00 -1.58 0.00 0.00 42.46 37.26 1a6x s ILE 138 CO 0.00 0.51 -0.21 0.18 -1.23 0.00 0.00 174.94 174.19 1a6x n LEU 139 N 2.74 2.29 -4.82 2.97 4.77 -0.97 -4.98 117.00 119.01 1a6x n LEU 139 Ca -0.16 0.06 -0.34 0.00 -0.03 0.00 0.00 56.01 55.54 1a6x n LEU 139 Cb 0.53 -0.65 -0.07 0.00 -2.33 0.00 0.00 43.42 40.91 1a6x n LEU 139 CO 0.35 0.65 0.62 0.54 -1.33 0.00 0.00 177.39 178.23 1a6x s VAL 140 N -2.38 4.39 0.32 4.08 0.11 -0.85 -5.07 120.40 121.00 1a6x s VAL 140 Ca -0.27 1.49 0.07 0.00 -2.93 0.00 0.00 61.98 60.34 1a6x s VAL 140 Cb 0.09 -3.67 -0.03 0.00 -1.53 0.00 0.00 36.38 31.23 1a6x s VAL 140 CO 0.41 -0.22 0.29 -1.61 -3.33 0.00 0.00 175.10 170.64 1a6x s GLU 141 N -2.95 2.80 -0.48 1.54 8.01 -1.26 -4.99 118.70 121.37 1a6x s GLU 141 Ca 0.59 -1.23 -0.27 0.00 0.01 0.00 0.00 54.97 54.07 1a6x s GLU 141 Cb -0.11 -2.52 -0.03 0.00 -4.31 0.00 0.00 34.13 27.15 1a6x s GLU 141 CO 0.15 0.15 2.00 -1.12 0.01 0.00 0.00 175.26 176.46 1a6x s SER 142 N -3.98 5.25 0.00 -0.19 0.01 -1.26 -1.37 113.70 112.16 1a6x s SER 142 Ca 0.40 0.89 0.00 0.00 1.31 0.00 0.00 55.95 58.55 1a6x s SER 142 Cb -0.06 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1a6x s SER 142 CO 0.27 -2.29 0.00 0.61 0.41 0.00 0.00 173.24 172.24 1a6x n GLY 143 N 5.70 1.26 3.63 3.44 0.00 0.24 -4.90 105.19 114.56 1a6x n GLY 143 Ca 0.26 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 1a6x n GLY 143 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1a6x n GLN 144 N -0.03 1.60 -1.56 1.61 7.27 -0.47 -4.37 117.38 121.42 1a6x n GLN 144 Ca 0.00 0.56 -0.31 0.00 0.07 0.00 0.00 57.00 57.32 1a6x n GLN 144 Cb 0.00 -2.03 0.05 0.00 2.41 0.00 0.00 30.24 30.67 1a6x n GLN 144 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1a6x s PRO 145 N -1.74 2.84 0.05 3.69 0.04 -1.26 -0.94 135.00 137.68 1a6x s PRO 145 Ca 0.58 0.93 -0.01 0.00 0.04 0.00 0.00 61.00 62.54 1a6x s PRO 145 Cb -0.63 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 31.89 1a6x s PRO 145 CO 0.60 -1.16 -0.03 0.14 0.04 0.00 0.00 177.00 176.59 1a6x s VAL 146 N -3.05 0.23 0.17 -0.36 -7.23 0.21 -4.78 120.40 105.58 1a6x s VAL 146 Ca 0.58 -1.77 0.04 0.00 -1.81 0.00 0.00 61.98 59.03 1a6x s VAL 146 Cb -0.14 -1.46 -0.05 0.00 0.56 0.00 0.00 36.38 35.29 1a6x s VAL 146 CO 0.55 -0.97 -0.07 -0.70 -0.31 0.00 0.00 175.10 173.60 1a6x s GLU 147 N -3.79 1.14 0.18 4.82 2.12 -1.26 -1.47 118.70 120.43 1a6x s GLU 147 Ca 0.06 -1.51 -0.31 0.00 0.36 0.00 0.00 54.97 53.56 1a6x s GLU 147 Cb 0.07 -0.61 -0.10 0.00 0.26 0.00 0.00 34.13 33.75 1a6x s GLU 147 CO -0.09 0.02 1.54 0.12 -0.54 0.00 0.00 175.26 176.31 1a6x s PHE 148 N -3.36 3.05 0.00 5.30 2.19 -1.26 -1.10 117.98 122.81 1a6x s PHE 148 Ca 0.20 0.70 0.00 0.00 0.33 0.00 0.00 56.93 58.17 1a6x s PHE 148 Cb 0.03 -3.91 0.00 0.00 -1.31 0.00 0.00 43.02 37.84 1a6x s PHE 148 CO 0.03 -3.27 0.00 -3.47 1.83 0.00 0.00 175.22 170.34 1a6x n ASP 149 N 3.66 -0.07 -4.87 6.13 -0.08 -1.20 -5.02 116.55 115.10 1a6x n ASP 149 Ca 0.12 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 53.08 1a6x n ASP 149 Cb 0.39 -0.01 -0.06 0.00 2.34 0.00 0.00 41.12 43.78 1a6x n ASP 149 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1a6x s GLU 150 N -0.20 3.84 0.67 -0.67 0.41 -0.26 -4.90 118.70 117.59 1a6x s GLU 150 Ca 0.00 0.34 -0.12 0.00 -0.41 0.00 0.00 54.97 54.78 1a6x s GLU 150 Cb 0.00 -2.61 -0.00 0.00 -1.78 0.00 0.00 34.13 29.73 1a6x s GLU 150 CO 0.00 0.29 1.06 -1.25 -0.49 0.00 0.00 175.26 174.87 1a6x s PRO 151 N -2.83 3.05 0.00 0.39 0.04 -1.26 0.25 135.00 134.64 1a6x s PRO 151 Ca 0.48 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1a6x s PRO 151 Cb -0.11 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1a6x s PRO 151 CO 0.20 -1.01 0.00 1.28 0.04 0.00 0.00 177.00 177.52 1a6x n LEU 152 N -2.84 0.00 -4.31 -3.56 4.77 0.23 -4.60 117.00 106.69 1a6x n LEU 152 Ca 0.08 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.82 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 0.54 0.00 -0.51 -0.69 -1.33 0.00 0.00 177.39 175.39 1a6x s VAL 153 N 0.00 1.78 -0.17 4.08 1.01 -1.18 -2.01 120.40 123.91 1a6x s VAL 153 Ca 0.00 -1.66 -0.01 0.00 0.00 0.00 0.00 61.98 60.31 1a6x s VAL 153 Cb 0.00 -1.67 -0.00 0.00 0.00 0.00 0.00 36.38 34.71 1a6x s VAL 153 CO 0.00 -0.12 -0.12 -0.69 0.00 0.00 0.00 175.10 174.17 1a6x s VAL 154 N -1.40 2.89 0.37 2.92 1.01 0.50 0.26 120.40 126.96 1a6x s VAL 154 Ca 0.09 -0.68 0.08 0.00 0.00 0.00 0.00 61.98 61.47 1a6x s VAL 154 Cb -0.09 -2.25 -0.06 0.00 0.00 0.00 0.00 36.38 33.98 1a6x s VAL 154 CO 0.05 0.49 0.06 -0.63 0.00 0.00 0.00 175.10 175.07 1a6x s ILE 155 N 0.95 2.43 0.00 2.22 1.09 0.49 -0.89 121.20 127.49 1a6x s ILE 155 Ca -0.02 -1.90 0.00 0.00 -1.10 0.00 0.00 60.65 57.63 1a6x s ILE 155 Cb -0.15 -2.88 0.00 0.00 -1.06 0.00 0.00 42.46 38.37 1a6x s ILE 155 CO -0.01 -0.11 0.00 1.21 -0.10 0.00 0.00 174.94 175.93