#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bxs s GLN 102 N 0.00 2.79 -0.14 0.54 0.74 -1.26 -5.11 119.66 117.21 3bxs s GLN 102 Ca 0.00 -0.87 0.02 0.00 0.05 0.00 0.00 55.36 54.56 3bxs s GLN 102 Cb 0.00 -2.25 0.01 0.00 1.10 0.00 0.00 33.01 31.87 3bxs s GLN 102 CO 0.00 0.31 -0.21 0.42 -0.55 0.00 0.00 175.29 175.26 3bxs s ILE 103 N 0.03 1.98 0.74 -2.34 1.01 -1.26 -5.12 121.20 116.23 3bxs s ILE 103 Ca -0.09 -0.92 -0.09 0.00 0.00 0.00 0.00 60.65 59.55 3bxs s ILE 103 Cb -0.15 -1.76 0.06 0.00 0.01 0.00 0.00 42.46 40.62 3bxs s ILE 103 CO 0.06 0.53 1.07 0.42 0.00 0.00 0.00 174.94 177.02 3bxs s THR 104 N 0.94 2.27 -0.28 2.92 -4.23 -1.26 -5.01 115.64 110.99 3bxs s THR 104 Ca -0.04 -0.15 0.16 0.00 -1.18 0.00 0.00 61.69 60.48 3bxs s THR 104 Cb -0.15 -3.03 0.51 0.00 1.34 0.00 0.00 72.50 71.17 3bxs s THR 104 CO -0.04 -0.04 1.41 0.18 -0.54 0.00 0.00 174.62 175.59 3bxs n LEU 105 N -3.05 3.81 0.05 4.79 4.77 -1.26 -4.53 117.00 121.59 3bxs n LEU 105 Ca 0.08 -2.89 0.03 0.00 -0.03 0.00 0.00 56.01 53.21 3bxs n LEU 105 Cb 0.60 -0.51 0.42 0.00 -2.33 0.00 0.00 43.42 41.60 3bxs n LEU 105 CO 0.54 0.68 1.05 -0.50 -1.33 0.00 0.00 177.39 177.83 3bxs h TRP 106 N 1.89 0.41 -2.89 -1.77 4.06 -2.06 -3.43 115.95 112.15 3bxs h TRP 106 Ca 0.00 -0.01 -0.45 0.00 2.06 0.00 0.00 58.89 60.49 3bxs h TRP 106 Cb 1.37 -0.13 -0.14 0.00 -1.00 0.00 0.00 29.16 29.26 3bxs h TRP 106 CO 0.48 0.34 -0.66 0.15 -3.56 0.00 0.00 178.44 175.18 3bxs s LYS 107 N -5.19 1.49 0.21 0.49 1.02 -1.26 -5.10 119.74 111.39 3bxs s LYS 107 Ca -0.07 -1.76 -0.32 0.00 0.02 0.00 0.00 55.97 53.83 3bxs s LYS 107 Cb 0.17 -0.94 -0.13 0.00 -0.52 0.00 0.00 37.83 36.40 3bxs s LYS 107 CO 0.73 -0.04 1.50 0.54 -0.92 0.00 0.00 175.35 177.17 3bxs n ARG 108 N -0.54 2.14 -2.25 1.68 1.74 -1.26 -4.83 116.66 113.33 3bxs n ARG 108 Ca -0.05 0.77 -0.42 0.00 -0.77 0.00 0.00 57.85 57.38 3bxs n ARG 108 Cb 0.64 -2.48 -0.00 0.00 -1.02 0.00 0.00 32.46 29.59 3bxs n ARG 108 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3bxs n PRO 109 N 2.71 2.96 -3.31 5.56 -0.04 -1.26 -4.94 135.00 136.69 3bxs n PRO 109 Ca 0.14 -2.99 -0.38 0.00 -0.04 0.00 0.00 63.50 60.23 3bxs n PRO 109 Cb 0.30 -3.43 -0.06 0.00 -0.04 0.00 0.00 33.50 30.28 3bxs n PRO 109 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3bxs s LEU 110 N 3.86 4.39 0.17 1.53 1.43 -1.26 -1.37 118.68 127.43 3bxs s LEU 110 Ca 0.53 1.01 0.00 0.00 -1.03 0.00 0.00 54.13 54.64 3bxs s LEU 110 Cb 0.07 -2.78 -0.04 0.00 0.03 0.00 0.00 46.19 43.47 3bxs s LEU 110 CO 0.03 0.12 0.05 0.68 0.23 0.00 0.00 176.35 177.46 3bxs s VAL 111 N -0.15 0.34 0.05 -1.59 -7.23 0.55 -4.91 120.40 107.45 3bxs s VAL 111 Ca 0.28 -1.95 -0.23 0.00 -1.81 0.00 0.00 61.98 58.26 3bxs s VAL 111 Cb -0.17 -2.18 -0.06 0.00 0.56 0.00 0.00 36.38 34.53 3bxs s VAL 111 CO 0.14 -0.37 0.70 -0.89 -0.31 0.00 0.00 175.10 174.37 3bxs s THR 112 N -3.90 4.74 0.18 5.32 2.01 -1.26 -0.37 115.64 122.36 3bxs s THR 112 Ca 0.27 1.49 0.07 0.00 0.31 0.00 0.00 61.69 63.83 3bxs s THR 112 Cb 0.07 -4.05 -0.05 0.00 0.01 0.00 0.00 72.50 68.49 3bxs s THR 112 CO 0.05 0.41 -0.13 0.27 -0.69 0.00 0.00 174.62 174.53 3bxs s ILE 113 N -0.31 1.57 -0.12 1.82 -4.36 0.53 -4.60 121.20 115.72 3bxs s ILE 113 Ca 0.35 -2.12 0.02 0.00 -0.26 0.00 0.00 60.65 58.64 3bxs s ILE 113 Cb -0.20 -1.95 0.01 0.00 1.25 0.00 0.00 42.46 41.58 3bxs s ILE 113 CO 0.21 -0.61 -0.18 -0.60 0.24 0.00 0.00 174.94 174.01 3bxs s ARG 114 N -3.56 2.50 -0.12 0.37 3.52 0.09 -0.92 118.95 120.83 3bxs s ARG 114 Ca 0.20 -0.66 -0.09 0.00 -0.13 0.00 0.00 55.73 55.04 3bxs s ARG 114 Cb -0.00 -2.07 0.04 0.00 -1.56 0.00 0.00 34.95 31.35 3bxs s ARG 114 CO 0.05 -0.04 0.31 -1.50 -0.81 0.00 0.00 175.30 173.31 3bxs s ILE 115 N 0.91 -0.02 -1.57 4.11 2.07 0.04 -1.08 121.20 125.67 3bxs s ILE 115 Ca -0.07 0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.23 3bxs s ILE 115 Cb -0.15 -0.46 0.00 0.00 0.13 0.00 0.00 42.46 41.98 3bxs s ILE 115 CO -0.01 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.65 3bxs n GLY 116 N 3.57 -0.12 2.30 1.50 0.00 -1.26 -0.86 105.19 110.32 3bxs n GLY 116 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3bxs n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bxs n GLY 117 N -0.83 0.86 3.51 -0.02 0.00 -1.26 -5.04 105.19 102.41 3bxs n GLY 117 Ca -0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 3bxs n GLY 117 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3bxs s GLN 118 N -0.19 1.93 -0.12 1.61 -0.21 -0.04 -5.12 119.66 117.52 3bxs s GLN 118 Ca 0.00 -1.10 -0.13 0.00 0.02 0.00 0.00 55.36 54.15 3bxs s GLN 118 Cb 0.00 -2.18 -0.05 0.00 1.00 0.00 0.00 33.01 31.78 3bxs s GLN 118 CO 0.00 0.50 0.29 -0.51 -2.12 0.00 0.00 175.29 173.45 3bxs s LEU 119 N -2.04 4.31 0.09 2.90 1.43 -1.26 -0.78 118.68 123.33 3bxs s LEU 119 Ca 0.18 0.59 -0.03 0.00 -1.03 0.00 0.00 54.13 53.84 3bxs s LEU 119 Cb -0.11 -2.36 -0.03 0.00 0.03 0.00 0.00 46.19 43.72 3bxs s LEU 119 CO 0.10 0.20 0.06 -0.54 0.23 0.00 0.00 176.35 176.40 3bxs s LYS 120 N -0.09 0.78 -0.16 1.70 1.02 -0.10 -4.97 119.74 117.93 3bxs s LYS 120 Ca 0.17 -1.22 -0.11 0.00 0.02 0.00 0.00 55.97 54.84 3bxs s LYS 120 Cb -0.13 0.26 -0.05 0.00 -0.52 0.00 0.00 37.83 37.39 3bxs s LYS 120 CO 0.06 -0.21 0.19 -1.21 -0.92 0.00 0.00 175.35 173.26 3bxs s GLU 121 N -3.95 4.01 0.05 1.68 0.41 -1.26 -0.35 118.70 119.29 3bxs s GLU 121 Ca 0.12 -0.08 0.00 0.00 -0.41 0.00 0.00 54.97 54.60 3bxs s GLU 121 Cb 0.07 -3.36 -0.03 0.00 -1.78 0.00 0.00 34.13 29.03 3bxs s GLU 121 CO -0.06 0.42 -0.05 0.00 -0.49 0.00 0.00 175.26 175.08 3bxs s ALA 122 N -0.03 0.46 -0.23 5.21 0.00 0.50 -4.34 121.76 123.32 3bxs s ALA 122 Ca 0.13 -0.92 -0.18 0.00 0.00 0.00 0.00 51.96 50.99 3bxs s ALA 122 Cb -0.12 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.13 3bxs s ALA 122 CO 0.02 -0.20 0.50 -1.17 0.00 0.00 0.00 175.76 174.91 3bxs s LEU 123 N -2.13 4.09 -0.47 0.00 2.96 0.40 -0.33 118.68 123.20 3bxs s LEU 123 Ca -0.04 0.56 -0.29 0.00 -0.22 0.00 0.00 54.13 54.15 3bxs s LEU 123 Cb -0.03 -2.65 0.02 0.00 0.50 0.00 0.00 46.19 44.03 3bxs s LEU 123 CO -0.04 -0.22 1.35 -0.76 -1.32 0.00 0.00 176.35 175.35 3bxs s LEU 124 N 1.96 3.54 -0.34 -0.68 1.43 -0.47 -0.52 118.68 123.60 3bxs s LEU 124 Ca 0.22 0.58 0.03 0.00 -1.03 0.00 0.00 54.13 53.92 3bxs s LEU 124 Cb -0.15 -3.41 0.10 0.00 0.03 0.00 0.00 46.19 42.75 3bxs s LEU 124 CO 0.09 -1.47 0.06 -0.62 0.23 0.00 0.00 176.35 174.64 3bxs s ASP 125 N 3.71 4.82 0.23 2.29 -1.08 -0.31 -4.79 116.67 121.54 3bxs s ASP 125 Ca 0.55 -2.03 0.23 0.00 -0.52 0.00 0.00 52.55 50.78 3bxs s ASP 125 Cb -0.11 -1.66 0.94 0.00 -1.46 0.00 0.00 42.92 40.63 3bxs s ASP 125 CO 0.30 -0.38 1.70 0.35 0.52 0.00 0.00 175.17 177.66 3bxs n THR 126 N 4.34 0.81 1.31 1.71 -2.24 -1.26 -2.25 114.28 116.70 3bxs n THR 126 Ca 0.01 0.18 0.12 0.00 -2.27 0.00 0.00 64.05 62.09 3bxs n THR 126 Cb 0.42 -1.09 0.43 0.00 -2.10 0.00 0.00 70.33 67.99 3bxs n THR 126 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3bxs n GLY 127 N 0.13 0.21 3.44 3.38 0.00 -1.26 -4.84 105.19 106.25 3bxs n GLY 127 Ca 0.03 -0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.26 3bxs n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bxs s ALA 128 N -1.87 2.99 0.17 4.61 0.00 -0.95 -4.98 121.76 121.73 3bxs s ALA 128 Ca 0.35 -0.97 -0.07 0.00 0.00 0.00 0.00 51.96 51.27 3bxs s ALA 128 Cb 0.19 -1.71 0.05 0.00 0.00 0.00 0.00 23.12 21.65 3bxs s ALA 128 CO 0.29 -0.09 1.51 -0.44 0.00 0.00 0.00 175.76 177.03 3bxs h ASP 129 N 7.36 0.85 -1.57 0.00 3.32 -1.88 0.12 116.42 124.62 3bxs h ASP 129 Ca -0.35 -0.40 -0.59 0.00 0.02 0.00 0.00 57.03 55.72 3bxs h ASP 129 Cb 1.18 -0.24 -0.10 0.00 0.22 0.00 0.00 39.33 40.39 3bxs h ASP 129 CO 0.61 1.15 -0.52 -1.81 -1.72 0.00 0.00 179.24 176.95 3bxs s ASP 130 N -6.86 4.27 -0.23 6.45 1.01 -1.26 -2.81 116.67 117.24 3bxs s ASP 130 Ca -0.10 -1.17 -0.09 0.00 0.71 0.00 0.00 52.55 51.90 3bxs s ASP 130 Cb 0.11 -0.43 -0.05 0.00 1.01 0.00 0.00 42.92 43.57 3bxs s ASP 130 CO 0.86 -0.53 0.12 -0.89 0.21 0.00 0.00 175.17 174.94 3bxs s THR 131 N -2.64 5.09 -0.12 -1.27 2.01 -1.26 -3.16 115.64 114.28 3bxs s THR 131 Ca 0.39 0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.48 3bxs s THR 131 Cb 0.05 -3.35 0.02 0.00 0.01 0.00 0.00 72.50 69.23 3bxs s THR 131 CO 0.21 0.38 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.68 3bxs s VAL 132 N 0.93 1.48 -0.03 3.82 1.01 -0.21 -0.81 120.40 126.60 3bxs s VAL 132 Ca 0.06 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.46 3bxs s VAL 132 Cb -0.13 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 3bxs s VAL 132 CO 0.03 0.44 -0.11 -0.63 0.00 0.00 0.00 175.10 174.83 3bxs s ILE 133 N 1.20 3.31 0.55 2.22 -1.09 0.10 0.07 121.20 127.57 3bxs s ILE 133 Ca -0.02 -0.75 -0.21 0.00 -2.23 0.00 0.00 60.65 57.44 3bxs s ILE 133 Cb -0.14 -2.36 -0.06 0.00 -1.58 0.00 0.00 42.46 38.32 3bxs s ILE 133 CO -0.05 0.51 1.08 -1.84 -1.23 0.00 0.00 174.94 173.40 3bxs n GLU 134 N 1.99 1.21 -1.45 2.79 0.28 -1.26 -2.08 120.64 122.12 3bxs n GLU 134 Ca -0.17 0.45 -0.57 0.00 -0.16 0.00 0.00 57.16 56.72 3bxs n GLU 134 Cb 0.52 -2.25 -0.08 0.00 1.43 0.00 0.00 31.44 31.07 3bxs n GLU 134 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 3bxs n GLU 135 N -0.74 0.00 -3.73 3.44 4.07 -0.95 -4.67 120.64 118.07 3bxs n GLU 135 Ca 0.12 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 57.09 3bxs n GLU 135 Cb 0.45 -1.29 -0.10 0.00 -0.06 0.00 0.00 31.44 30.44 3bxs n GLU 135 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3bxs s MET 136 N 1.93 0.51 -1.12 5.31 0.23 -1.26 -5.02 119.30 119.88 3bxs s MET 136 Ca 0.87 0.59 -0.15 0.00 -1.03 0.00 0.00 55.69 55.97 3bxs s MET 136 Cb -1.24 0.25 -0.07 0.00 -1.53 0.00 0.00 34.83 32.24 3bxs s MET 136 CO 0.65 -0.06 2.18 0.27 -2.03 0.00 0.00 175.02 176.03 3bxs n ASN 137 N 2.82 4.14 -4.72 -1.18 6.94 -1.26 -4.94 115.26 117.06 3bxs n ASN 137 Ca -0.13 -2.65 -0.42 0.00 -0.02 0.00 0.00 54.58 51.36 3bxs n ASN 137 Cb 0.57 -1.34 -0.03 0.00 -2.36 0.00 0.00 39.78 36.62 3bxs n ASN 137 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 3bxs s LEU 138 N 1.19 4.42 0.74 -4.53 2.96 -1.26 -5.04 118.68 117.15 3bxs s LEU 138 Ca 0.52 1.91 -0.11 0.00 -0.22 0.00 0.00 54.13 56.23 3bxs s LEU 138 Cb 0.14 -3.58 0.04 0.00 0.50 0.00 0.00 46.19 43.28 3bxs s LEU 138 CO 0.00 -0.30 1.10 -2.16 -1.32 0.00 0.00 176.35 173.68 3bxs s PRO 139 N 0.56 2.55 0.00 0.98 0.04 -1.26 -4.98 135.00 132.89 3bxs s PRO 139 Ca 0.53 0.51 0.00 0.00 0.04 0.00 0.00 61.00 62.08 3bxs s PRO 139 Cb -0.26 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.29 3bxs s PRO 139 CO 0.30 -1.26 0.00 0.41 0.04 0.00 0.00 177.00 176.49 3bxs n GLY 140 N -2.70 2.70 3.83 0.56 0.00 -1.26 -5.04 105.19 103.28 3bxs n GLY 140 Ca 0.07 -2.02 -0.32 0.00 0.00 0.00 0.00 46.02 43.74 3bxs n GLY 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bxs s LYS 141 N -2.59 3.90 0.21 1.61 1.02 -1.26 -5.07 119.74 117.57 3bxs s LYS 141 Ca 0.00 1.03 -0.07 0.00 0.02 0.00 0.00 55.97 56.95 3bxs s LYS 141 Cb 0.00 -2.13 -0.02 0.00 -0.52 0.00 0.00 37.83 35.16 3bxs s LYS 141 CO 0.00 -0.31 0.29 1.67 -0.92 0.00 0.00 175.35 176.08 3bxs s TRP 142 N -2.50 0.72 0.02 3.18 1.48 -1.26 -4.61 118.94 115.98 3bxs s TRP 142 Ca 0.60 -1.03 0.05 0.00 -1.06 0.00 0.00 56.10 54.67 3bxs s TRP 142 Cb -0.11 -0.19 -0.02 0.00 -1.16 0.00 0.00 33.47 31.99 3bxs s TRP 142 CO 0.29 -0.79 -0.16 0.15 -4.06 0.00 0.00 176.95 172.38 3bxs s LYS 143 N -4.07 1.16 0.38 3.25 -0.14 -0.53 -4.89 119.74 114.90 3bxs s LYS 143 Ca 0.29 -0.74 -0.26 0.00 -1.36 0.00 0.00 55.97 53.90 3bxs s LYS 143 Cb 0.03 -1.18 -0.09 0.00 -1.68 0.00 0.00 37.83 34.91 3bxs s LYS 143 CO 0.09 0.31 1.25 -2.14 -0.76 0.00 0.00 175.35 174.09 3bxs s PRO 144 N -0.89 4.10 0.04 -1.68 0.02 -1.26 -0.09 135.00 135.24 3bxs s PRO 144 Ca 0.05 2.05 -0.17 0.00 0.02 0.00 0.00 61.00 62.94 3bxs s PRO 144 Cb -0.07 -2.81 0.03 0.00 0.02 0.00 0.00 34.50 31.66 3bxs s PRO 144 CO 0.01 -0.34 0.39 0.21 -0.33 0.00 0.00 177.00 176.94 3bxs s LYS 145 N -2.13 0.89 -0.09 5.54 2.20 -0.71 -4.85 119.74 120.60 3bxs s LYS 145 Ca 0.55 -0.38 0.03 0.00 -0.36 0.00 0.00 55.97 55.81 3bxs s LYS 145 Cb -0.36 0.40 0.01 0.00 -1.51 0.00 0.00 37.83 36.37 3bxs s LYS 145 CO 0.46 -0.30 -0.18 -1.64 -0.36 0.00 0.00 175.35 173.33 3bxs s MET 146 N -2.43 2.40 0.07 4.03 -1.94 -1.26 -0.80 119.30 119.36 3bxs s MET 146 Ca -0.06 -0.65 0.09 0.00 -1.71 0.00 0.00 55.69 53.37 3bxs s MET 146 Cb -0.01 -1.89 -0.03 0.00 2.01 0.00 0.00 34.83 34.91 3bxs s MET 146 CO -0.02 0.08 -0.26 0.96 -0.01 0.00 0.00 175.02 175.77 3bxs s ILE 147 N 0.58 2.11 0.38 2.53 -4.36 -0.69 -4.94 121.20 116.80 3bxs s ILE 147 Ca -0.15 -1.46 0.07 0.00 -0.26 0.00 0.00 60.65 58.85 3bxs s ILE 147 Cb -0.17 -1.82 -0.07 0.00 1.25 0.00 0.00 42.46 41.65 3bxs s ILE 147 CO 0.05 0.28 0.00 -0.83 0.24 0.00 0.00 174.94 174.68 3bxs s GLY 148 N -1.44 2.35 0.00 6.27 0.00 -1.26 -1.00 107.32 112.24 3bxs s GLY 148 Ca 0.12 -2.21 0.00 0.00 0.00 0.00 0.00 44.72 42.62 3bxs s GLY 148 CO 0.03 -2.02 0.00 0.61 0.00 0.00 0.00 173.10 171.72 3bxs n GLY 149 N -0.87 0.99 3.74 0.20 0.00 -0.46 -4.98 105.19 103.81 3bxs n GLY 149 Ca -0.04 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 3bxs n GLY 149 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3bxs s ILE 150 N -1.95 2.20 0.00 -0.61 1.01 -1.26 -1.75 121.20 118.84 3bxs s ILE 150 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.81 3bxs s ILE 150 Cb 0.00 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.37 3bxs s ILE 150 CO 0.00 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.57 3bxs n GLY 151 N 2.61 3.32 0.00 6.18 0.00 -1.26 -4.94 105.19 111.09 3bxs n GLY 151 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3bxs n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bxs n GLY 152 N -1.54 0.55 3.64 -0.02 0.00 -0.72 -5.10 105.19 102.00 3bxs n GLY 152 Ca 0.00 -1.93 -0.25 0.00 0.00 0.00 0.00 46.02 43.84 3bxs n GLY 152 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bxs s PHE 153 N -1.62 2.73 0.05 1.61 0.40 -1.26 -1.35 117.98 118.54 3bxs s PHE 153 Ca 0.00 -0.19 0.02 0.00 -0.60 0.00 0.00 56.93 56.16 3bxs s PHE 153 Cb 0.00 -1.27 -0.03 0.00 0.51 0.00 0.00 43.02 42.23 3bxs s PHE 153 CO 0.00 0.56 -0.08 0.96 0.70 0.00 0.00 175.22 177.36 3bxs s ILE 154 N -2.00 0.61 0.02 0.64 -4.36 -0.17 -4.96 121.20 110.98 3bxs s ILE 154 Ca 0.29 -1.23 -0.24 0.00 -0.26 0.00 0.00 60.65 59.21 3bxs s ILE 154 Cb -0.08 -0.81 -0.05 0.00 1.25 0.00 0.00 42.46 42.77 3bxs s ILE 154 CO 0.18 -0.45 0.71 -0.54 0.24 0.00 0.00 174.94 175.09 3bxs s LYS 155 N -1.95 4.44 0.18 0.37 1.02 -1.26 -1.71 119.74 120.84 3bxs s LYS 155 Ca -0.06 0.96 0.01 0.00 0.02 0.00 0.00 55.97 56.90 3bxs s LYS 155 Cb -0.08 -3.37 -0.05 0.00 -0.52 0.00 0.00 37.83 33.82 3bxs s LYS 155 CO -0.00 0.28 0.03 0.14 -0.92 0.00 0.00 175.35 174.88 3bxs s VAL 156 N 0.01 0.53 -0.21 3.17 -7.23 0.02 -4.48 120.40 112.21 3bxs s VAL 156 Ca 0.36 -1.97 -0.07 0.00 -1.81 0.00 0.00 61.98 58.49 3bxs s VAL 156 Cb -0.20 -2.22 -0.03 0.00 0.56 0.00 0.00 36.38 34.49 3bxs s VAL 156 CO 0.21 -0.36 0.06 -0.13 -0.31 0.00 0.00 175.10 174.56 3bxs s ARG 157 N -3.97 3.80 -0.31 4.82 0.52 0.26 -1.73 118.95 122.33 3bxs s ARG 157 Ca 0.27 -0.42 -0.16 0.00 -0.52 0.00 0.00 55.73 54.90 3bxs s ARG 157 Cb 0.07 -3.23 -0.02 0.00 0.52 0.00 0.00 34.95 32.28 3bxs s ARG 157 CO 0.06 0.07 0.40 -1.14 0.02 0.00 0.00 175.30 174.71 3bxs s GLN 158 N 0.92 3.77 -0.09 3.54 0.74 0.87 -0.79 119.66 128.62 3bxs s GLN 158 Ca 0.03 -0.16 -0.01 0.00 0.05 0.00 0.00 55.36 55.28 3bxs s GLN 158 Cb -0.14 -3.74 -0.03 0.00 1.10 0.00 0.00 33.01 30.20 3bxs s GLN 158 CO 0.03 -0.45 -0.05 0.71 -0.55 0.00 0.00 175.29 174.98 3bxs s TYR 159 N 2.13 3.00 0.20 1.67 1.51 -0.17 -1.45 117.35 124.23 3bxs s TYR 159 Ca 0.15 -0.01 0.06 0.00 -1.01 0.00 0.00 57.07 56.26 3bxs s TYR 159 Cb -0.16 -1.77 -0.04 0.00 -0.11 0.00 0.00 41.96 39.88 3bxs s TYR 159 CO 0.11 0.28 0.12 -0.51 -1.11 0.00 0.00 175.55 174.45 3bxs s ASP 160 N -0.59 5.34 -1.38 2.29 1.01 -1.26 -0.90 116.67 121.18 3bxs s ASP 160 Ca 0.09 -0.24 -0.00 0.00 0.71 0.00 0.00 52.55 53.10 3bxs s ASP 160 Cb -0.12 -1.32 0.00 0.00 1.01 0.00 0.00 42.92 42.49 3bxs s ASP 160 CO 0.02 0.03 0.51 0.00 0.21 0.00 0.00 175.17 175.95 3bxs n GLN 161 N -0.62 -3.83 -3.57 8.23 1.13 -1.16 -4.90 117.38 112.67 3bxs n GLN 161 Ca -0.08 0.47 -0.37 0.00 -1.94 0.00 0.00 57.00 55.08 3bxs n GLN 161 Cb 0.56 -4.75 -0.09 0.00 0.11 0.00 0.00 30.24 26.07 3bxs n GLN 161 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3bxs s ILE 162 N -3.86 5.30 0.21 5.09 -1.09 -0.04 -4.75 121.20 122.08 3bxs s ILE 162 Ca 0.01 0.32 -0.30 0.00 -2.23 0.00 0.00 60.65 58.46 3bxs s ILE 162 Cb -0.01 -3.57 -0.09 0.00 -1.58 0.00 0.00 42.46 37.22 3bxs s ILE 162 CO 0.86 0.29 1.28 -2.84 -1.23 0.00 0.00 174.94 173.31 3bxs s PRO 163 N 1.32 4.41 -0.05 2.79 0.02 -1.26 -1.93 135.00 140.30 3bxs s PRO 163 Ca 0.10 2.04 -0.02 0.00 0.02 0.00 0.00 61.00 63.14 3bxs s PRO 163 Cb -0.14 -3.19 0.03 0.00 0.02 0.00 0.00 34.50 31.22 3bxs s PRO 163 CO 0.07 -0.20 0.08 0.08 -0.33 0.00 0.00 177.00 176.70 3bxs s VAL 164 N -0.10 -0.14 -0.16 3.83 1.01 -0.16 -4.35 120.40 120.33 3bxs s VAL 164 Ca 0.55 0.41 -0.13 0.00 0.00 0.00 0.00 61.98 62.80 3bxs s VAL 164 Cb -0.36 -0.18 -0.05 0.00 0.00 0.00 0.00 36.38 35.79 3bxs s VAL 164 CO 0.40 0.17 0.27 -0.70 0.00 0.00 0.00 175.10 175.23 3bxs s GLU 165 N 2.16 4.18 -0.24 2.72 2.12 -0.24 -1.33 118.70 128.07 3bxs s GLU 165 Ca 0.04 0.05 0.10 0.00 0.36 0.00 0.00 54.97 55.52 3bxs s GLU 165 Cb -0.12 -3.40 0.44 0.00 0.26 0.00 0.00 34.13 31.31 3bxs s GLU 165 CO -0.04 0.30 1.24 -0.89 -0.54 0.00 0.00 175.26 175.34 3bxs n ILE 166 N 3.38 2.32 0.00 -3.70 5.41 -1.26 -0.73 119.36 124.78 3bxs n ILE 166 Ca -0.13 -3.44 0.00 0.00 1.00 0.00 0.00 62.75 60.18 3bxs n ILE 166 Cb 0.52 -0.46 0.00 0.00 -0.71 0.00 0.00 39.64 38.99 3bxs n ILE 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3bxs n GLY 168 N -1.02 0.00 3.60 7.39 0.00 -1.26 -4.73 105.19 109.16 3bxs n GLY 168 Ca 0.26 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.89 3bxs n GLY 168 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3bxs s HIS 169 N 0.00 3.23 0.34 1.61 4.02 -1.26 -5.06 115.29 118.17 3bxs s HIS 169 Ca 0.00 0.28 -0.27 0.00 1.02 0.00 0.00 55.06 56.09 3bxs s HIS 169 Cb 0.00 -2.52 -0.09 0.00 -1.02 0.00 0.00 32.58 28.95 3bxs s HIS 169 CO 0.00 -0.22 1.11 0.15 1.02 0.00 0.00 174.74 176.80 3bxs s LYS 170 N 1.96 4.39 0.21 1.40 1.02 -1.26 -4.43 119.74 123.02 3bxs s LYS 170 Ca 0.12 1.77 -0.09 0.00 0.02 0.00 0.00 55.97 57.79 3bxs s LYS 170 Cb -0.16 -2.92 -0.01 0.00 -0.52 0.00 0.00 37.83 34.22 3bxs s LYS 170 CO 0.10 -0.01 0.34 0.00 -0.92 0.00 0.00 175.35 174.87 3bxs s ALA 171 N -1.33 0.10 -0.28 5.17 0.00 -0.44 -4.77 121.76 120.21 3bxs s ALA 171 Ca 0.50 -1.02 -0.13 0.00 0.00 0.00 0.00 51.96 51.31 3bxs s ALA 171 Cb -0.30 1.05 0.10 0.00 0.00 0.00 0.00 23.12 23.97 3bxs s ALA 171 CO 0.38 -0.73 0.65 -1.50 0.00 0.00 0.00 175.76 174.56 3bxs s ILE 172 N -4.02 -0.46 0.00 0.00 2.07 -1.26 -0.98 121.20 116.54 3bxs s ILE 172 Ca 0.23 0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.49 3bxs s ILE 172 Cb 0.02 -0.97 0.00 0.00 0.13 0.00 0.00 42.46 41.65 3bxs s ILE 172 CO 0.06 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.70 3bxs n GLY 173 N 4.85 0.76 3.72 1.50 0.00 -0.81 -4.84 105.19 110.38 3bxs n GLY 173 Ca -0.16 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 3bxs n GLY 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3bxs s THR 174 N -1.92 4.28 -0.07 2.61 2.01 -1.26 -0.86 115.64 120.43 3bxs s THR 174 Ca 0.00 1.75 0.02 0.00 0.31 0.00 0.00 61.69 63.77 3bxs s THR 174 Cb 0.00 -4.12 0.01 0.00 0.01 0.00 0.00 72.50 68.40 3bxs s THR 174 CO 0.00 0.20 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.31 3bxs s VAL 175 N 0.54 1.19 -0.18 3.82 1.01 -0.07 -4.44 120.40 122.27 3bxs s VAL 175 Ca 0.53 -0.50 -0.09 0.00 0.00 0.00 0.00 61.98 61.92 3bxs s VAL 175 Cb -0.26 -1.09 -0.05 0.00 0.00 0.00 0.00 36.38 34.98 3bxs s VAL 175 CO 0.30 0.37 0.11 -0.76 0.00 0.00 0.00 175.10 175.13 3bxs s LEU 176 N 0.71 4.14 -0.14 3.92 1.43 0.01 -1.00 118.68 127.75 3bxs s LEU 176 Ca -0.14 0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 53.20 3bxs s LEU 176 Cb -0.16 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 44.00 3bxs s LEU 176 CO 0.03 0.23 -0.12 -0.69 0.23 0.00 0.00 176.35 176.03 3bxs s VAL 177 N 0.08 3.09 -0.00 -1.59 1.01 0.03 0.01 120.40 123.03 3bxs s VAL 177 Ca 0.08 -0.64 -0.17 0.00 0.00 0.00 0.00 61.98 61.25 3bxs s VAL 177 Cb -0.11 -2.31 0.06 0.00 0.00 0.00 0.00 36.38 34.01 3bxs s VAL 177 CO -0.00 0.52 0.77 0.61 0.00 0.00 0.00 175.10 177.00 3bxs n GLY 178 N 3.62 0.41 2.45 4.51 0.00 -0.88 -0.58 105.19 114.73 3bxs n GLY 178 Ca -0.18 -0.97 -0.19 0.00 0.00 0.00 0.00 46.02 44.68 3bxs n GLY 178 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3bxs n PRO 179 N -0.55 1.94 -3.26 1.61 -0.04 -1.26 -2.23 135.00 131.21 3bxs n PRO 179 Ca 0.02 -1.25 -0.37 0.00 -0.04 0.00 0.00 63.50 61.87 3bxs n PRO 179 Cb 0.35 -2.27 -0.06 0.00 -0.04 0.00 0.00 33.50 31.48 3bxs n PRO 179 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3bxs s THR 180 N 2.78 4.74 -0.26 0.52 -1.32 -1.26 -4.98 115.64 115.86 3bxs s THR 180 Ca 0.42 1.08 0.28 0.00 -1.21 0.00 0.00 61.69 62.26 3bxs s THR 180 Cb 0.14 -3.83 0.33 0.00 -1.51 0.00 0.00 72.50 67.63 3bxs s THR 180 CO -0.02 0.34 1.82 1.55 -2.21 0.00 0.00 174.62 176.10 3bxs h PRO 181 N 3.86 0.00 -3.45 7.08 0.13 -1.99 -3.43 132.00 134.20 3bxs h PRO 181 Ca -0.49 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.48 3bxs h PRO 181 Cb 1.20 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.10 3bxs h PRO 181 CO 0.65 0.00 -0.50 0.08 -0.23 0.00 0.00 178.00 177.99 3bxs s VAL 182 N -3.43 0.05 0.15 1.56 1.01 -1.26 -5.08 120.40 113.41 3bxs s VAL 182 Ca 0.04 -0.45 -0.30 0.00 0.00 0.00 0.00 61.98 61.27 3bxs s VAL 182 Cb 0.09 -0.36 -0.07 0.00 0.00 0.00 0.00 36.38 36.03 3bxs s VAL 182 CO 0.52 -0.25 1.18 0.20 0.00 0.00 0.00 175.10 176.75 3bxs s ASN 183 N -0.86 7.12 -0.14 3.32 0.01 -1.26 -4.68 114.94 118.45 3bxs s ASN 183 Ca -0.09 2.15 0.02 0.00 -0.71 0.00 0.00 52.86 54.23 3bxs s ASN 183 Cb -0.05 -2.60 0.01 0.00 0.41 0.00 0.00 41.25 39.02 3bxs s ASN 183 CO 0.01 -0.37 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.40 3bxs s ILE 184 N 0.19 1.96 -0.33 0.60 1.01 0.11 -0.45 121.20 124.29 3bxs s ILE 184 Ca 0.54 -0.91 -0.13 0.00 0.00 0.00 0.00 60.65 60.15 3bxs s ILE 184 Cb -0.31 -1.74 -0.02 0.00 0.01 0.00 0.00 42.46 40.39 3bxs s ILE 184 CO 0.34 0.53 0.23 -0.63 0.00 0.00 0.00 174.94 175.42 3bxs s ILE 185 N 0.91 5.29 0.54 2.92 -1.09 0.32 -1.05 121.20 129.04 3bxs s ILE 185 Ca -0.05 -0.15 0.04 0.00 -2.23 0.00 0.00 60.65 58.25 3bxs s ILE 185 Cb -0.15 -3.69 0.10 0.00 -1.58 0.00 0.00 42.46 37.14 3bxs s ILE 185 CO -0.03 0.03 0.75 0.61 -1.23 0.00 0.00 174.94 175.06 3bxs n GLY 186 N 5.10 1.36 0.28 6.18 0.00 -1.19 -1.16 105.19 115.76 3bxs n GLY 186 Ca -0.13 -2.12 0.12 0.00 0.00 0.00 0.00 46.02 43.89 3bxs n GLY 186 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3bxs h ARG 187 N 0.00 0.00 -0.39 1.61 3.08 -0.79 -1.17 114.38 116.72 3bxs h ARG 187 Ca -0.25 0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.83 3bxs h ARG 187 Cb 1.03 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.06 3bxs h ARG 187 CO 0.31 0.00 0.26 -2.95 -1.07 0.00 0.00 179.97 176.52 3bxs h ASN 188 N 0.00 0.35 0.00 7.04 -1.07 -1.78 -2.12 115.58 118.00 3bxs h ASN 188 Ca 0.02 -0.00 -0.28 0.00 0.07 0.00 0.00 56.30 56.10 3bxs h ASN 188 Cb 0.08 -0.08 -0.05 0.00 -2.07 0.00 0.00 38.32 36.20 3bxs h ASN 188 CO -0.00 0.24 -2.26 0.18 0.07 0.00 0.00 177.43 175.66 3bxs n LEU 189 N -4.48 0.00 -0.20 6.14 4.77 -0.79 -4.22 117.00 118.22 3bxs n LEU 189 Ca 0.04 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.00 3bxs n LEU 189 Cb 0.16 0.38 0.20 0.00 -2.33 0.00 0.00 43.42 41.83 3bxs n LEU 189 CO 0.35 0.38 1.12 -0.07 -1.33 0.00 0.00 177.39 177.84 3bxs h LEU 190 N 0.00 0.87 -1.07 2.23 3.38 -0.97 -1.14 115.31 118.61 3bxs h LEU 190 Ca -0.41 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.42 3bxs h LEU 190 Cb 1.93 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.44 3bxs h LEU 190 CO 0.02 0.72 0.04 0.71 0.09 0.00 0.00 178.44 180.03 3bxs h THR 191 N 0.97 1.22 0.00 0.22 1.35 -1.60 -2.53 112.91 112.54 3bxs h THR 191 Ca 0.24 -0.86 -0.04 0.00 -0.55 0.00 0.00 66.41 65.21 3bxs h THR 191 Cb 0.07 0.83 -0.01 0.00 -1.73 0.00 0.00 68.15 67.32 3bxs h THR 191 CO -0.03 0.30 -0.19 1.56 -0.25 0.00 0.00 175.52 176.91 3bxs h GLN 192 N 0.67 0.00 -0.69 4.72 4.20 -1.39 -1.89 115.11 120.73 3bxs h GLN 192 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 3bxs h GLN 192 Cb 0.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.13 3bxs h GLN 192 CO 0.01 0.19 0.00 0.44 -0.67 0.00 0.00 178.83 178.79 3bxs n ILE 193 N -4.05 1.33 -1.98 2.54 -5.35 -0.97 -4.95 119.36 105.93 3bxs n ILE 193 Ca -0.02 -1.04 -0.01 0.00 -0.27 0.00 0.00 62.75 61.41 3bxs n ILE 193 Cb 0.26 0.31 -0.01 0.00 -1.74 0.00 0.00 39.64 38.47 3bxs n ILE 193 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3bxs n GLY 194 N 1.41 -4.85 0.00 3.28 0.00 -0.71 -5.09 105.19 99.22 3bxs n GLY 194 Ca 0.25 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.35 3bxs n GLY 194 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3bxs n THR 196 N 1.24 0.00 -4.02 2.61 -2.24 -1.26 -5.04 114.28 105.57 3bxs n THR 196 Ca -0.05 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.37 3bxs n THR 196 Cb 0.08 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.24 3bxs n THR 196 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3bxs s LEU 197 N 0.00 4.16 -0.02 3.22 1.43 -1.26 -5.10 118.68 121.11 3bxs s LEU 197 Ca 0.00 0.37 -0.00 0.00 -1.03 0.00 0.00 54.13 53.47 3bxs s LEU 197 Cb 0.00 -2.01 0.02 0.00 0.03 0.00 0.00 46.19 44.23 3bxs s LEU 197 CO 0.00 0.40 0.03 0.20 0.23 0.00 0.00 176.35 177.21 3bxs s ASN 198 N -1.02 0.04 0.00 2.29 -0.87 -1.26 -5.30 114.94 108.82 3bxs s ASN 198 Ca 0.15 0.05 0.00 0.00 -1.57 0.00 0.00 52.86 51.49 3bxs s ASN 198 Cb -0.12 -0.03 0.00 0.00 -0.02 0.00 0.00 41.25 41.08 3bxs s ASN 198 CO 0.04 -0.09 0.00 2.22 -2.57 0.00 0.00 177.10 176.70