#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fg6 s GLN 102 N 0.00 3.05 -0.21 0.54 0.74 -1.26 -5.10 119.66 117.42 1fg6 s GLN 102 Ca 0.00 -0.80 -0.03 0.00 0.05 0.00 0.00 55.36 54.58 1fg6 s GLN 102 Cb 0.00 -2.61 -0.00 0.00 1.10 0.00 0.00 33.01 31.50 1fg6 s GLN 102 CO 0.00 -0.17 -0.08 0.42 -0.55 0.00 0.00 175.29 174.91 1fg6 s ILE 103 N 1.22 3.09 0.78 -2.34 1.01 -1.26 -5.11 121.20 118.59 1fg6 s ILE 103 Ca 0.03 -0.59 -0.11 0.00 0.00 0.00 0.00 60.65 59.98 1fg6 s ILE 103 Cb -0.14 -2.39 0.07 0.00 0.01 0.00 0.00 42.46 40.02 1fg6 s ILE 103 CO -0.10 0.45 1.14 0.42 0.00 0.00 0.00 174.94 176.85 1fg6 s THR 104 N 1.40 2.23 -0.19 2.92 -4.23 -1.26 -5.02 115.64 111.48 1fg6 s THR 104 Ca 0.05 0.00 0.16 0.00 -1.18 0.00 0.00 61.69 60.72 1fg6 s THR 104 Cb -0.14 -3.06 0.47 0.00 1.34 0.00 0.00 72.50 71.11 1fg6 s THR 104 CO -0.05 -0.07 1.37 0.18 -0.54 0.00 0.00 174.62 175.50 1fg6 n LEU 105 N -3.21 3.57 0.24 4.79 4.77 -1.26 -4.56 117.00 121.34 1fg6 n LEU 105 Ca 0.08 -3.20 0.09 0.00 -0.03 0.00 0.00 56.01 52.95 1fg6 n LEU 105 Cb 0.60 -0.54 0.59 0.00 -2.33 0.00 0.00 43.42 41.75 1fg6 n LEU 105 CO 0.56 0.81 0.89 -0.50 -1.33 0.00 0.00 177.39 177.82 1fg6 h TRP 106 N 1.24 0.00 -2.23 -1.77 4.06 -2.06 -3.43 115.95 111.76 1fg6 h TRP 106 Ca 0.04 0.00 -0.56 0.00 2.06 0.00 0.00 58.89 60.43 1fg6 h TRP 106 Cb 1.38 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.40 1fg6 h TRP 106 CO 0.49 0.19 -0.66 0.15 -3.56 0.00 0.00 178.44 175.05 1fg6 s LYS 107 N -4.18 1.72 0.22 0.49 -0.14 -1.26 -5.10 119.74 111.49 1fg6 s LYS 107 Ca -0.03 -1.90 -0.30 0.00 -1.36 0.00 0.00 55.97 52.38 1fg6 s LYS 107 Cb 0.13 -1.43 -0.10 0.00 -1.68 0.00 0.00 37.83 34.75 1fg6 s LYS 107 CO 0.63 0.06 1.47 1.03 -0.76 0.00 0.00 175.35 177.78 1fg6 s ARG 108 N -3.69 4.25 -1.07 1.68 0.52 -1.26 -4.86 118.95 114.52 1fg6 s ARG 108 Ca 0.32 2.32 -0.18 0.00 -0.52 0.00 0.00 55.73 57.66 1fg6 s ARG 108 Cb 0.04 -3.12 -0.07 0.00 0.52 0.00 0.00 34.95 32.32 1fg6 s ARG 108 CO 0.15 -0.47 2.06 -0.35 0.02 0.00 0.00 175.30 176.71 1fg6 n PRO 109 N 2.79 2.09 -3.21 3.54 -0.04 -1.26 -4.93 135.00 133.99 1fg6 n PRO 109 Ca 0.09 -2.17 -0.39 0.00 -0.04 0.00 0.00 63.50 60.99 1fg6 n PRO 109 Cb 0.40 -3.08 -0.05 0.00 -0.04 0.00 0.00 33.50 30.73 1fg6 n PRO 109 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1fg6 s LEU 110 N 1.60 4.34 0.25 1.53 1.43 -1.26 -1.11 118.68 125.46 1fg6 s LEU 110 Ca 0.53 1.05 0.04 0.00 -1.03 0.00 0.00 54.13 54.71 1fg6 s LEU 110 Cb 0.14 -2.88 -0.05 0.00 0.03 0.00 0.00 46.19 43.43 1fg6 s LEU 110 CO 0.03 0.02 -0.00 0.68 0.23 0.00 0.00 176.35 177.30 1fg6 s VAL 111 N 0.32 1.16 -0.01 -1.59 -7.23 0.49 -4.93 120.40 108.61 1fg6 s VAL 111 Ca 0.31 -2.05 -0.18 0.00 -1.81 0.00 0.00 61.98 58.26 1fg6 s VAL 111 Cb -0.17 -2.42 -0.06 0.00 0.56 0.00 0.00 36.38 34.29 1fg6 s VAL 111 CO 0.15 -0.28 0.50 -0.89 -0.31 0.00 0.00 175.10 174.27 1fg6 s THR 112 N -3.34 4.97 0.19 5.32 2.01 -1.26 -0.49 115.64 123.03 1fg6 s THR 112 Ca 0.30 1.03 0.09 0.00 0.31 0.00 0.00 61.69 63.42 1fg6 s THR 112 Cb 0.06 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 1fg6 s THR 112 CO 0.10 0.49 -0.18 0.27 -0.69 0.00 0.00 174.62 174.61 1fg6 s ILE 113 N -0.55 1.90 -0.14 1.82 -4.36 0.13 -1.02 121.20 118.98 1fg6 s ILE 113 Ca 0.27 -2.03 0.00 0.00 -0.26 0.00 0.00 60.65 58.63 1fg6 s ILE 113 Cb -0.17 -1.95 0.02 0.00 1.25 0.00 0.00 42.46 41.61 1fg6 s ILE 113 CO 0.15 -0.36 -0.13 -0.75 0.24 0.00 0.00 174.94 174.09 1fg6 s LYS 114 N -3.02 2.10 -0.07 0.37 2.20 0.02 -0.87 119.74 120.47 1fg6 s LYS 114 Ca 0.19 -0.48 -0.03 0.00 -0.36 0.00 0.00 55.97 55.28 1fg6 s LYS 114 Cb -0.05 -1.96 0.04 0.00 -1.51 0.00 0.00 37.83 34.35 1fg6 s LYS 114 CO 0.08 -0.23 0.15 -1.50 -0.36 0.00 0.00 175.35 173.48 1fg6 s ILE 115 N 1.50 -0.04 -1.40 5.43 2.07 -0.14 -0.80 121.20 127.81 1fg6 s ILE 115 Ca 0.04 0.16 -0.01 0.00 -1.41 0.00 0.00 60.65 59.43 1fg6 s ILE 115 Cb -0.13 -0.24 0.00 0.00 0.13 0.00 0.00 42.46 42.22 1fg6 s ILE 115 CO -0.09 0.07 0.10 0.61 -1.91 0.00 0.00 174.94 173.71 1fg6 n GLY 116 N 4.09 -0.31 3.08 1.50 0.00 -1.26 -1.40 105.19 110.88 1fg6 n GLY 116 Ca -0.25 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1fg6 n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fg6 n GLY 117 N -1.09 0.56 3.74 -0.02 0.00 -1.26 -4.99 105.19 102.13 1fg6 n GLY 117 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 1fg6 n GLY 117 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1fg6 s GLN 118 N -0.44 2.83 -0.15 1.61 -0.21 -0.50 -5.10 119.66 117.70 1fg6 s GLN 118 Ca 0.00 -0.68 -0.11 0.00 0.02 0.00 0.00 55.36 54.60 1fg6 s GLN 118 Cb 0.00 -2.70 -0.05 0.00 1.00 0.00 0.00 33.01 31.26 1fg6 s GLN 118 CO 0.00 0.58 0.20 -0.51 -2.12 0.00 0.00 175.29 173.45 1fg6 s LEU 119 N -2.15 4.30 0.11 2.90 1.43 -1.26 -0.97 118.68 123.04 1fg6 s LEU 119 Ca 0.26 0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 53.79 1fg6 s LEU 119 Cb -0.12 -2.21 -0.04 0.00 0.03 0.00 0.00 46.19 43.85 1fg6 s LEU 119 CO 0.18 0.24 0.04 -0.54 0.23 0.00 0.00 176.35 176.50 1fg6 s LYS 120 N -0.15 0.84 -0.10 1.70 1.02 -0.05 -4.97 119.74 118.03 1fg6 s LYS 120 Ca 0.14 -1.37 -0.06 0.00 0.02 0.00 0.00 55.97 54.70 1fg6 s LYS 120 Cb -0.12 0.24 -0.04 0.00 -0.52 0.00 0.00 37.83 37.38 1fg6 s LYS 120 CO 0.03 -0.22 0.12 -1.21 -0.92 0.00 0.00 175.35 173.15 1fg6 s GLU 121 N -4.01 3.36 0.04 1.68 0.41 -1.26 0.18 118.70 119.10 1fg6 s GLU 121 Ca 0.19 -0.20 -0.02 0.00 -0.41 0.00 0.00 54.97 54.53 1fg6 s GLU 121 Cb 0.08 -3.11 -0.03 0.00 -1.78 0.00 0.00 34.13 29.29 1fg6 s GLU 121 CO -0.02 0.75 -0.00 0.00 -0.49 0.00 0.00 175.26 175.50 1fg6 s ALA 122 N -1.04 0.30 -0.26 5.21 0.00 0.35 -4.58 121.76 121.75 1fg6 s ALA 122 Ca 0.16 -0.93 -0.10 0.00 0.00 0.00 0.00 51.96 51.09 1fg6 s ALA 122 Cb -0.12 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 1fg6 s ALA 122 CO 0.05 -0.31 0.15 -1.17 0.00 0.00 0.00 175.76 174.48 1fg6 s LEU 123 N -2.42 3.89 -0.18 0.00 2.96 0.17 -0.38 118.68 122.72 1fg6 s LEU 123 Ca -0.01 -0.02 -0.29 0.00 -0.22 0.00 0.00 54.13 53.59 1fg6 s LEU 123 Cb 0.02 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 1fg6 s LEU 123 CO -0.07 -0.01 1.52 -0.76 -1.32 0.00 0.00 176.35 175.72 1fg6 s LEU 124 N 1.47 4.05 -0.31 -0.68 1.43 -0.27 -0.35 118.68 124.02 1fg6 s LEU 124 Ca 0.07 1.74 0.02 0.00 -1.03 0.00 0.00 54.13 54.93 1fg6 s LEU 124 Cb -0.15 -3.53 0.09 0.00 0.03 0.00 0.00 46.19 42.63 1fg6 s LEU 124 CO 0.07 -1.06 0.05 -0.62 0.23 0.00 0.00 176.35 175.02 1fg6 s ASP 125 N 3.42 4.37 0.40 2.29 -1.08 -0.17 -4.78 116.67 121.12 1fg6 s ASP 125 Ca 0.67 -1.81 0.29 0.00 -0.52 0.00 0.00 52.55 51.17 1fg6 s ASP 125 Cb -0.25 -1.30 1.15 0.00 -1.46 0.00 0.00 42.92 41.06 1fg6 s ASP 125 CO 0.26 -0.37 1.84 0.71 0.52 0.00 0.00 175.17 178.13 1fg6 h THR 126 N 6.58 0.00 -0.38 1.71 1.35 -1.93 -2.52 112.91 117.73 1fg6 h THR 126 Ca -0.10 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1fg6 h THR 126 Cb 1.03 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 1fg6 h THR 126 CO 0.49 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.37 1fg6 n GLY 127 N 0.08 0.81 3.26 5.82 0.00 -1.26 -4.84 105.19 109.07 1fg6 n GLY 127 Ca 0.02 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 1fg6 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fg6 s ALA 128 N -1.50 2.37 0.11 4.61 0.00 -0.95 -5.00 121.76 121.40 1fg6 s ALA 128 Ca 0.27 -0.98 -0.13 0.00 0.00 0.00 0.00 51.96 51.12 1fg6 s ALA 128 Cb 0.14 -1.03 -0.07 0.00 0.00 0.00 0.00 23.12 22.16 1fg6 s ALA 128 CO 0.19 0.17 1.43 -0.44 0.00 0.00 0.00 175.76 177.11 1fg6 h ASP 129 N 6.92 0.84 -1.60 0.00 3.32 -1.88 0.37 116.42 124.39 1fg6 h ASP 129 Ca -0.25 -0.48 -0.60 0.00 0.02 0.00 0.00 57.03 55.72 1fg6 h ASP 129 Cb 1.22 -0.24 -0.11 0.00 0.22 0.00 0.00 39.33 40.42 1fg6 h ASP 129 CO 0.52 1.15 -0.55 -1.81 -1.72 0.00 0.00 179.24 176.84 1fg6 s ASP 130 N -6.67 4.15 -0.26 6.45 1.01 -1.26 -2.52 116.67 117.57 1fg6 s ASP 130 Ca -0.12 -1.24 -0.11 0.00 0.71 0.00 0.00 52.55 51.79 1fg6 s ASP 130 Cb 0.09 -0.42 -0.05 0.00 1.01 0.00 0.00 42.92 43.56 1fg6 s ASP 130 CO 0.85 -0.51 0.19 -0.89 0.21 0.00 0.00 175.17 175.03 1fg6 s THR 131 N -2.66 5.32 -0.13 -1.27 2.01 -1.26 -2.90 115.64 114.74 1fg6 s THR 131 Ca 0.37 0.21 0.01 0.00 0.31 0.00 0.00 61.69 62.60 1fg6 s THR 131 Cb 0.07 -3.53 0.02 0.00 0.01 0.00 0.00 72.50 69.06 1fg6 s THR 131 CO 0.20 0.28 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.56 1fg6 s VAL 132 N 1.49 1.65 0.14 3.82 1.01 -0.45 -0.72 120.40 127.35 1fg6 s VAL 132 Ca 0.08 -0.72 0.10 0.00 0.00 0.00 0.00 61.98 61.44 1fg6 s VAL 132 Cb -0.15 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1fg6 s VAL 132 CO 0.08 0.47 -0.18 -0.63 0.00 0.00 0.00 175.10 174.84 1fg6 s ILE 133 N 1.13 2.76 0.97 2.22 -1.09 0.60 -0.31 121.20 127.48 1fg6 s ILE 133 Ca -0.02 -1.64 -0.11 0.00 -2.23 0.00 0.00 60.65 56.65 1fg6 s ILE 133 Cb -0.14 -2.29 0.18 0.00 -1.58 0.00 0.00 42.46 38.62 1fg6 s ILE 133 CO -0.05 0.03 1.11 -1.83 -1.23 0.00 0.00 174.94 172.97 1fg6 s GLU 134 N -2.34 0.59 -0.09 2.79 -1.05 -1.26 -1.95 118.70 115.38 1fg6 s GLU 134 Ca 0.19 1.30 -0.38 0.00 -0.15 0.00 0.00 54.97 55.93 1fg6 s GLU 134 Cb -0.10 -1.70 -0.16 0.00 -0.44 0.00 0.00 34.13 31.73 1fg6 s GLU 134 CO 0.10 -2.85 1.52 -1.91 0.95 0.00 0.00 175.26 173.08 1fg6 n GLU 135 N -4.36 1.11 -3.67 -4.83 4.07 -1.24 -4.59 120.64 107.12 1fg6 n GLU 135 Ca 0.09 0.40 -0.06 0.00 -0.06 0.00 0.00 57.16 57.53 1fg6 n GLU 135 Cb 0.53 -2.06 -0.02 0.00 -0.06 0.00 0.00 31.44 29.83 1fg6 n GLU 135 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1fg6 s MET 136 N 1.91 1.18 -0.22 5.31 0.23 -1.26 -5.06 119.30 121.39 1fg6 s MET 136 Ca 0.91 -0.59 -0.18 0.00 -1.03 0.00 0.00 55.69 54.80 1fg6 s MET 136 Cb -1.02 0.44 -0.03 0.00 -1.53 0.00 0.00 34.83 32.69 1fg6 s MET 136 CO 0.56 -0.53 0.52 -1.12 -2.03 0.00 0.00 175.02 172.42 1fg6 s SER 137 N -2.80 6.53 0.07 -1.18 0.01 -1.26 -5.06 113.70 110.00 1fg6 s SER 137 Ca 0.09 0.63 0.08 0.00 1.31 0.00 0.00 55.95 58.06 1fg6 s SER 137 Cb -0.02 -2.29 -0.03 0.00 0.21 0.00 0.00 66.02 63.89 1fg6 s SER 137 CO -0.02 -0.21 -0.22 -0.76 0.41 0.00 0.00 173.24 172.45 1fg6 s LEU 138 N 1.82 2.21 0.67 2.44 1.43 -1.26 -4.94 118.68 121.05 1fg6 s LEU 138 Ca 0.23 -0.59 -0.14 0.00 -1.03 0.00 0.00 54.13 52.61 1fg6 s LEU 138 Cb -0.15 -1.00 0.00 0.00 0.03 0.00 0.00 46.19 45.07 1fg6 s LEU 138 CO 0.09 0.14 1.08 -2.16 0.23 0.00 0.00 176.35 175.74 1fg6 s PRO 139 N -1.44 2.84 0.90 1.29 0.04 -1.26 -4.93 135.00 132.44 1fg6 s PRO 139 Ca 0.08 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.34 1fg6 s PRO 139 Cb -0.09 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1fg6 s PRO 139 CO 0.03 -1.20 0.00 0.41 0.04 0.00 0.00 177.00 176.28 1fg6 n GLY 140 N -1.03 -2.00 3.91 0.56 0.00 -1.26 -4.94 105.19 100.44 1fg6 n GLY 140 Ca 0.09 -1.53 -0.28 0.00 0.00 0.00 0.00 46.02 44.30 1fg6 n GLY 140 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fg6 s ARG 141 N 0.00 3.59 0.17 1.61 0.52 -1.26 -5.11 118.95 118.47 1fg6 s ARG 141 Ca 0.00 -0.13 0.08 0.00 -0.52 0.00 0.00 55.73 55.16 1fg6 s ARG 141 Cb 0.00 -2.73 -0.04 0.00 0.52 0.00 0.00 34.95 32.70 1fg6 s ARG 141 CO 0.00 0.30 -0.18 1.67 0.02 0.00 0.00 175.30 177.11 1fg6 s TRP 142 N -1.98 1.79 0.20 -0.53 1.48 -1.26 -4.68 118.94 113.96 1fg6 s TRP 142 Ca 0.42 -0.48 0.11 0.00 -1.06 0.00 0.00 56.10 55.09 1fg6 s TRP 142 Cb -0.11 -0.88 -0.04 0.00 -1.16 0.00 0.00 33.47 31.27 1fg6 s TRP 142 CO 0.29 0.33 -0.23 -1.59 -4.06 0.00 0.00 176.95 171.69 1fg6 s LYS 143 N -2.93 1.55 0.49 3.25 -2.85 -0.70 -4.89 119.74 113.67 1fg6 s LYS 143 Ca 0.17 -1.53 -0.20 0.00 -1.00 0.00 0.00 55.97 53.40 1fg6 s LYS 143 Cb -0.05 -1.85 -0.08 0.00 -2.06 0.00 0.00 37.83 33.79 1fg6 s LYS 143 CO 0.07 0.40 1.06 -1.25 0.10 0.00 0.00 175.35 175.73 1fg6 s PRO 144 N -2.72 3.72 -0.19 1.78 0.04 -1.26 -0.75 135.00 135.62 1fg6 s PRO 144 Ca 0.21 1.44 -0.17 0.00 0.04 0.00 0.00 61.00 62.52 1fg6 s PRO 144 Cb -0.08 -2.11 0.05 0.00 0.04 0.00 0.00 34.50 32.41 1fg6 s PRO 144 CO 0.10 -0.51 0.50 0.21 0.04 0.00 0.00 177.00 177.34 1fg6 s LYS 145 N -3.19 0.58 -0.17 4.56 2.20 -1.10 -4.83 119.74 117.78 1fg6 s LYS 145 Ca 0.68 0.71 -0.03 0.00 -0.36 0.00 0.00 55.97 56.97 1fg6 s LYS 145 Cb -0.19 0.27 -0.02 0.00 -1.51 0.00 0.00 37.83 36.38 1fg6 s LYS 145 CO 0.22 -0.08 -0.05 1.41 -0.36 0.00 0.00 175.35 176.49 1fg6 s MET 146 N 0.35 3.53 0.19 4.03 -2.45 -1.26 -0.95 119.30 122.74 1fg6 s MET 146 Ca -0.01 -0.58 0.10 0.00 -1.25 0.00 0.00 55.69 53.95 1fg6 s MET 146 Cb -0.04 -2.90 -0.04 0.00 1.25 0.00 0.00 34.83 33.10 1fg6 s MET 146 CO -0.00 0.10 -0.20 0.96 1.05 0.00 0.00 175.02 176.93 1fg6 s ILE 147 N 0.71 2.04 0.12 10.11 -4.36 -0.72 -4.98 121.20 124.13 1fg6 s ILE 147 Ca -0.03 -2.05 0.09 0.00 -0.26 0.00 0.00 60.65 58.40 1fg6 s ILE 147 Cb -0.15 -2.00 -0.04 0.00 1.25 0.00 0.00 42.46 41.53 1fg6 s ILE 147 CO 0.02 -0.31 -0.21 -0.83 0.24 0.00 0.00 174.94 173.85 1fg6 s GLY 148 N -2.85 1.32 0.00 6.27 0.00 -1.26 -1.20 107.32 109.59 1fg6 s GLY 148 Ca 0.20 -1.33 0.00 0.00 0.00 0.00 0.00 44.72 43.59 1fg6 s GLY 148 CO 0.09 -1.34 0.00 0.61 0.00 0.00 0.00 173.10 172.46 1fg6 n GLY 149 N 0.89 5.31 0.32 0.20 0.00 0.13 -4.98 105.19 107.06 1fg6 n GLY 149 Ca -0.18 -1.39 -0.03 0.00 0.00 0.00 0.00 46.02 44.42 1fg6 n GLY 149 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1fg6 h ILE 150 N 0.00 1.23 -0.00 -0.61 6.09 -2.02 -3.05 117.51 119.15 1fg6 h ILE 150 Ca 0.00 -0.77 0.00 0.00 -1.37 0.00 0.00 64.86 62.72 1fg6 h ILE 150 Cb 0.00 0.54 0.00 0.00 0.47 0.00 0.00 36.82 37.83 1fg6 h ILE 150 CO 0.00 0.30 -0.53 0.61 -3.07 0.00 0.00 178.15 175.46 1fg6 n GLY 151 N -0.92 -0.91 0.00 8.18 0.00 -1.26 -5.07 105.19 105.22 1fg6 n GLY 151 Ca 0.05 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1fg6 n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fg6 n GLY 152 N 1.45 0.79 3.75 -0.02 0.00 -1.15 -5.11 105.19 104.89 1fg6 n GLY 152 Ca 0.07 -1.69 -0.28 0.00 0.00 0.00 0.00 46.02 44.12 1fg6 n GLY 152 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1fg6 s PHE 153 N -3.57 3.09 0.02 1.61 0.40 -1.26 0.21 117.98 118.48 1fg6 s PHE 153 Ca 0.00 -0.02 -0.06 0.00 -0.60 0.00 0.00 56.93 56.26 1fg6 s PHE 153 Cb 0.00 -1.52 -0.01 0.00 0.51 0.00 0.00 43.02 42.00 1fg6 s PHE 153 CO 0.00 0.51 0.10 0.96 0.70 0.00 0.00 175.22 177.49 1fg6 s ILE 154 N -1.59 0.11 -0.02 0.64 -4.36 -0.34 -5.00 121.20 110.64 1fg6 s ILE 154 Ca 0.29 -0.91 -0.16 0.00 -0.26 0.00 0.00 60.65 59.61 1fg6 s ILE 154 Cb -0.11 -0.64 -0.05 0.00 1.25 0.00 0.00 42.46 42.91 1fg6 s ILE 154 CO 0.22 -0.50 0.45 -0.54 0.24 0.00 0.00 174.94 174.81 1fg6 s LYS 155 N -1.99 4.08 0.21 0.37 1.02 -1.26 -1.75 119.74 120.42 1fg6 s LYS 155 Ca -0.10 0.48 0.02 0.00 0.02 0.00 0.00 55.97 56.39 1fg6 s LYS 155 Cb -0.05 -3.28 -0.05 0.00 -0.52 0.00 0.00 37.83 33.93 1fg6 s LYS 155 CO -0.02 0.55 0.03 0.14 -0.92 0.00 0.00 175.35 175.13 1fg6 s VAL 156 N -0.65 0.74 -0.25 3.17 -7.23 -0.13 -4.64 120.40 111.41 1fg6 s VAL 156 Ca 0.25 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.32 1fg6 s VAL 156 Cb -0.17 -2.33 -0.05 0.00 0.56 0.00 0.00 36.38 34.39 1fg6 s VAL 156 CO 0.14 -0.29 0.15 -0.13 -0.31 0.00 0.00 175.10 174.65 1fg6 s ARG 157 N -3.94 4.00 -0.33 4.82 0.52 0.39 -2.71 118.95 121.70 1fg6 s ARG 157 Ca 0.29 -0.31 -0.15 0.00 -0.52 0.00 0.00 55.73 55.05 1fg6 s ARG 157 Cb 0.06 -3.53 -0.02 0.00 0.52 0.00 0.00 34.95 31.99 1fg6 s ARG 157 CO 0.08 -0.00 0.34 -1.14 0.02 0.00 0.00 175.30 174.59 1fg6 s GLN 158 N 1.23 3.65 -0.13 3.54 0.74 0.07 -0.67 119.66 128.09 1fg6 s GLN 158 Ca 0.07 -0.37 -0.03 0.00 0.05 0.00 0.00 55.36 55.08 1fg6 s GLN 158 Cb -0.14 -3.77 -0.03 0.00 1.10 0.00 0.00 33.01 30.17 1fg6 s GLN 158 CO 0.06 -0.45 -0.05 0.71 -0.55 0.00 0.00 175.29 175.01 1fg6 s TYR 159 N 1.97 3.01 0.19 1.67 1.51 -0.70 -1.72 117.35 123.28 1fg6 s TYR 159 Ca 0.11 -0.23 0.05 0.00 -1.01 0.00 0.00 57.07 55.99 1fg6 s TYR 159 Cb -0.16 -1.89 -0.04 0.00 -0.11 0.00 0.00 41.96 39.75 1fg6 s TYR 159 CO 0.11 0.06 0.22 -0.51 -1.11 0.00 0.00 175.55 174.31 1fg6 s ASP 160 N 0.06 5.82 -1.48 2.29 1.01 -1.26 -0.98 116.67 122.13 1fg6 s ASP 160 Ca -0.01 -0.06 -0.08 0.00 0.71 0.00 0.00 52.55 53.11 1fg6 s ASP 160 Cb -0.14 -1.60 0.06 0.00 1.01 0.00 0.00 42.92 42.25 1fg6 s ASP 160 CO 0.03 0.02 0.76 0.00 0.21 0.00 0.00 175.17 176.18 1fg6 n GLN 161 N -0.74 -4.46 -3.32 8.23 6.02 -1.14 -4.89 117.38 117.08 1fg6 n GLN 161 Ca -0.08 0.52 -0.38 0.00 -0.01 0.00 0.00 57.00 57.05 1fg6 n GLN 161 Cb 0.56 -5.13 -0.06 0.00 1.02 0.00 0.00 30.24 26.63 1fg6 n GLN 161 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1fg6 s ILE 162 N -3.53 5.05 -0.21 5.09 -1.09 0.02 -4.68 121.20 121.84 1fg6 s ILE 162 Ca 0.38 1.03 -0.25 0.00 -2.23 0.00 0.00 60.65 59.58 1fg6 s ILE 162 Cb -0.20 -3.83 -0.01 0.00 -1.58 0.00 0.00 42.46 36.84 1fg6 s ILE 162 CO 0.86 0.42 0.82 -0.63 -1.23 0.00 0.00 174.94 175.18 1fg6 s ILE 163 N -0.07 4.86 -0.02 2.92 1.01 -1.26 -1.42 121.20 127.22 1fg6 s ILE 163 Ca 0.27 1.59 -0.00 0.00 0.00 0.00 0.00 60.65 62.51 1fg6 s ILE 163 Cb -0.17 -4.12 0.03 0.00 0.01 0.00 0.00 42.46 38.21 1fg6 s ILE 163 CO 0.13 -0.02 0.04 -0.51 0.00 0.00 0.00 174.94 174.58 1fg6 s ILE 164 N 2.49 -0.05 -0.11 2.92 2.07 0.32 -4.48 121.20 124.36 1fg6 s ILE 164 Ca 0.36 0.19 -0.15 0.00 -1.41 0.00 0.00 60.65 59.64 1fg6 s ILE 164 Cb -0.16 -0.09 -0.05 0.00 0.13 0.00 0.00 42.46 42.30 1fg6 s ILE 164 CO 0.10 0.08 0.37 -1.61 -1.91 0.00 0.00 174.94 171.96 1fg6 s GLU 165 N 0.94 4.18 -0.25 3.50 2.02 0.02 -0.31 118.70 128.79 1fg6 s GLU 165 Ca -0.08 0.26 0.01 0.00 0.02 0.00 0.00 54.97 55.19 1fg6 s GLU 165 Cb -0.11 -3.38 0.06 0.00 0.10 0.00 0.00 34.13 30.81 1fg6 s GLU 165 CO -0.03 0.33 -0.05 0.42 0.02 0.00 0.00 175.26 175.95 1fg6 s ILE 166 N 0.14 1.71 -1.55 -1.63 1.01 0.83 -0.80 121.20 120.91 1fg6 s ILE 166 Ca 0.21 -1.42 -0.14 0.00 0.00 0.00 0.00 60.65 59.31 1fg6 s ILE 166 Cb -0.14 -1.98 0.09 0.00 0.01 0.00 0.00 42.46 40.45 1fg6 s ILE 166 CO 0.08 -0.15 0.91 0.00 0.00 0.00 0.00 174.94 175.77 1fg6 n ALA 167 N 4.59 -1.35 -0.46 9.38 0.00 -0.19 -1.13 120.51 131.34 1fg6 n ALA 167 Ca -0.11 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1fg6 n ALA 167 Cb 0.43 -4.01 0.00 0.00 0.00 0.00 0.00 19.45 15.87 1fg6 n ALA 167 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fg6 n GLY 168 N -1.63 1.27 3.58 0.00 0.00 -1.26 -5.03 105.19 102.11 1fg6 n GLY 168 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1fg6 n GLY 168 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1fg6 s HIS 169 N -3.16 3.19 0.10 1.61 4.02 -0.29 -5.08 115.29 115.69 1fg6 s HIS 169 Ca 0.00 -0.05 -0.27 0.00 1.02 0.00 0.00 55.06 55.76 1fg6 s HIS 169 Cb 0.00 -2.11 -0.06 0.00 -1.02 0.00 0.00 32.58 29.39 1fg6 s HIS 169 CO 0.00 0.03 0.84 0.21 1.02 0.00 0.00 174.74 176.84 1fg6 s LYS 170 N 0.65 4.60 0.07 1.40 2.20 -1.26 -0.12 119.74 127.27 1fg6 s LYS 170 Ca 0.03 1.24 0.03 0.00 -0.36 0.00 0.00 55.97 56.91 1fg6 s LYS 170 Cb -0.13 -3.34 -0.03 0.00 -1.51 0.00 0.00 37.83 32.82 1fg6 s LYS 170 CO 0.02 0.33 -0.09 0.00 -0.36 0.00 0.00 175.35 175.25 1fg6 s ALA 171 N -0.33 0.86 -0.14 3.13 0.00 0.57 -4.86 121.76 120.99 1fg6 s ALA 171 Ca 0.41 -0.98 -0.03 0.00 0.00 0.00 0.00 51.96 51.36 1fg6 s ALA 171 Cb -0.22 0.03 0.05 0.00 0.00 0.00 0.00 23.12 22.98 1fg6 s ALA 171 CO 0.26 -0.02 0.05 0.42 0.00 0.00 0.00 175.76 176.48 1fg6 s ILE 172 N -1.88 0.18 0.00 0.00 1.01 -1.26 -0.52 121.20 118.73 1fg6 s ILE 172 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.47 1fg6 s ILE 172 Cb -0.06 -0.66 0.00 0.00 0.01 0.00 0.00 42.46 41.75 1fg6 s ILE 172 CO 0.00 -0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.45 1fg6 n GLY 173 N 5.19 1.40 3.72 6.18 0.00 -0.51 -4.81 105.19 116.36 1fg6 n GLY 173 Ca -0.07 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.93 1fg6 n GLY 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1fg6 s THR 174 N -2.17 4.05 -0.09 2.61 2.01 -1.26 -0.80 115.64 119.99 1fg6 s THR 174 Ca 0.00 1.60 0.01 0.00 0.31 0.00 0.00 61.69 63.61 1fg6 s THR 174 Cb 0.00 -4.02 0.02 0.00 0.01 0.00 0.00 72.50 68.50 1fg6 s THR 174 CO 0.00 0.19 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.32 1fg6 s VAL 175 N 0.45 1.21 -0.16 3.82 1.01 -0.15 -4.58 120.40 122.00 1fg6 s VAL 175 Ca 0.54 -0.47 -0.12 0.00 0.00 0.00 0.00 61.98 61.92 1fg6 s VAL 175 Cb -0.28 -1.14 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 1fg6 s VAL 175 CO 0.32 0.38 0.24 -0.76 0.00 0.00 0.00 175.10 175.28 1fg6 s LEU 176 N 1.07 4.25 -0.15 3.92 1.43 0.10 -1.71 118.68 127.59 1fg6 s LEU 176 Ca -0.06 0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 53.47 1fg6 s LEU 176 Cb -0.15 -2.29 -0.01 0.00 0.03 0.00 0.00 46.19 43.78 1fg6 s LEU 176 CO -0.02 0.15 -0.11 -0.69 0.23 0.00 0.00 176.35 175.91 1fg6 s VAL 177 N 0.29 3.08 0.00 -1.59 1.01 0.16 -0.29 120.40 123.06 1fg6 s VAL 177 Ca 0.14 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.49 1fg6 s VAL 177 Cb -0.12 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.94 1fg6 s VAL 177 CO 0.03 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1fg6 n GLY 178 N 3.87 0.55 2.42 4.51 0.00 -0.82 -0.46 105.19 115.25 1fg6 n GLY 178 Ca -0.18 -0.81 -0.22 0.00 0.00 0.00 0.00 46.02 44.81 1fg6 n GLY 178 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1fg6 n PRO 179 N 0.00 2.24 -3.14 1.61 -0.04 -1.26 -3.72 135.00 130.69 1fg6 n PRO 179 Ca 0.00 -1.40 -0.38 0.00 -0.04 0.00 0.00 63.50 61.67 1fg6 n PRO 179 Cb 0.00 -2.36 -0.06 0.00 -0.04 0.00 0.00 33.50 31.04 1fg6 n PRO 179 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1fg6 s THR 180 N 2.65 4.58 0.46 0.52 -1.32 -1.26 -4.97 115.64 116.29 1fg6 s THR 180 Ca 0.48 1.38 0.12 0.00 -1.21 0.00 0.00 61.69 62.47 1fg6 s THR 180 Cb 0.15 -3.97 0.25 0.00 -1.51 0.00 0.00 72.50 67.42 1fg6 s THR 180 CO -0.03 0.46 2.08 -0.65 -2.21 0.00 0.00 174.62 174.27 1fg6 h PRO 181 N 4.18 0.20 -2.75 7.08 0.11 -1.98 -3.44 132.00 135.40 1fg6 h PRO 181 Ca -0.48 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.50 1fg6 h PRO 181 Cb 1.21 -0.04 -0.21 0.00 0.11 0.00 0.00 31.00 32.06 1fg6 h PRO 181 CO 0.65 0.18 -0.18 0.54 -0.21 0.00 0.00 178.00 178.97 1fg6 s VAL 182 N -5.12 0.03 0.09 3.15 0.11 -1.26 -5.12 120.40 112.28 1fg6 s VAL 182 Ca -0.06 -0.22 -0.31 0.00 -2.93 0.00 0.00 61.98 58.47 1fg6 s VAL 182 Cb 0.17 -0.66 -0.09 0.00 -1.53 0.00 0.00 36.38 34.26 1fg6 s VAL 182 CO 0.70 -0.12 1.66 0.20 -3.33 0.00 0.00 175.10 174.21 1fg6 s ASN 183 N -0.68 6.58 -0.03 3.54 0.01 -1.26 -4.85 114.94 118.25 1fg6 s ASN 183 Ca -0.08 2.54 0.05 0.00 -0.71 0.00 0.00 52.86 54.66 1fg6 s ASN 183 Cb -0.04 -2.57 -0.01 0.00 0.41 0.00 0.00 41.25 39.05 1fg6 s ASN 183 CO 0.04 -0.89 -0.18 0.27 -1.51 0.00 0.00 177.10 174.83 1fg6 s ILE 184 N 2.41 1.44 -0.36 0.60 -4.36 0.57 -0.65 121.20 120.84 1fg6 s ILE 184 Ca 0.74 -0.74 -0.15 0.00 -0.26 0.00 0.00 60.65 60.24 1fg6 s ILE 184 Cb -0.41 -1.22 -0.00 0.00 1.25 0.00 0.00 42.46 42.07 1fg6 s ILE 184 CO 0.33 0.41 0.33 -0.63 0.24 0.00 0.00 174.94 175.62 1fg6 s ILE 185 N -0.15 5.20 0.75 8.37 -1.09 0.52 -1.34 121.20 133.47 1fg6 s ILE 185 Ca 0.01 -0.18 -0.06 0.00 -2.23 0.00 0.00 60.65 58.19 1fg6 s ILE 185 Cb -0.10 -3.84 0.16 0.00 -1.58 0.00 0.00 42.46 37.10 1fg6 s ILE 185 CO 0.01 -0.15 1.03 0.61 -1.23 0.00 0.00 174.94 175.21 1fg6 n GLY 186 N 5.05 -0.15 0.27 6.18 0.00 -1.14 -0.99 105.19 114.40 1fg6 n GLY 186 Ca -0.10 -1.90 0.09 0.00 0.00 0.00 0.00 46.02 44.10 1fg6 n GLY 186 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1fg6 h ARG 187 N 0.00 0.02 -0.72 1.61 3.08 -0.88 -0.74 114.38 116.76 1fg6 h ARG 187 Ca -0.34 -0.00 0.05 0.00 0.07 0.00 0.00 59.98 59.76 1fg6 h ARG 187 Cb 1.11 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.10 1fg6 h ARG 187 CO 0.31 0.01 0.42 0.38 -1.07 0.00 0.00 179.97 180.03 1fg6 h ASP 188 N 0.02 0.66 0.51 7.04 2.03 -1.75 -1.56 116.42 123.37 1fg6 h ASP 188 Ca 0.03 0.02 -0.25 0.00 -0.73 0.00 0.00 57.03 56.10 1fg6 h ASP 188 Cb 0.09 -0.11 -0.04 0.00 -0.83 0.00 0.00 39.33 38.43 1fg6 h ASP 188 CO -0.00 0.43 -1.67 0.18 -1.03 0.00 0.00 179.24 177.15 1fg6 n LEU 189 N -4.72 0.76 -0.05 0.15 4.77 -0.95 -3.81 117.00 113.15 1fg6 n LEU 189 Ca 0.09 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 1fg6 n LEU 189 Cb 0.16 0.16 0.30 0.00 -2.33 0.00 0.00 43.42 41.71 1fg6 n LEU 189 CO 0.30 0.30 1.03 -0.07 -1.33 0.00 0.00 177.39 177.62 1fg6 h LEU 190 N 0.00 0.58 -0.94 2.23 3.38 -0.97 -1.54 115.31 118.05 1fg6 h LEU 190 Ca -0.26 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.54 1fg6 h LEU 190 Cb 1.85 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.44 1fg6 h LEU 190 CO 0.06 0.55 -0.22 0.71 0.09 0.00 0.00 178.44 179.64 1fg6 h THR 191 N 0.62 1.26 0.00 0.22 1.35 -1.41 -1.47 112.91 113.48 1fg6 h THR 191 Ca 0.15 -1.22 -0.07 0.00 -0.55 0.00 0.00 66.41 64.72 1fg6 h THR 191 Cb 0.19 1.28 -0.01 0.00 -1.73 0.00 0.00 68.15 67.88 1fg6 h THR 191 CO -0.01 0.39 -0.31 1.56 -0.25 0.00 0.00 175.52 176.90 1fg6 h GLN 192 N 0.47 0.00 -0.40 4.72 4.20 -1.39 -2.66 115.11 120.05 1fg6 h GLN 192 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1fg6 h GLN 192 Cb 0.64 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1fg6 h GLN 192 CO 0.05 0.31 0.00 0.44 -0.67 0.00 0.00 178.83 178.96 1fg6 n ILE 193 N -3.82 0.52 -1.96 2.54 -5.35 -0.97 -4.95 119.36 105.37 1fg6 n ILE 193 Ca -0.01 -0.64 -0.08 0.00 -0.27 0.00 0.00 62.75 61.74 1fg6 n ILE 193 Cb 0.40 0.60 -0.01 0.00 -1.74 0.00 0.00 39.64 38.89 1fg6 n ILE 193 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1fg6 n GLY 194 N 1.37 0.24 3.74 3.28 0.00 -1.00 -5.02 105.19 107.80 1fg6 n GLY 194 Ca 0.18 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 1fg6 n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fg6 s ALA 195 N -2.40 3.29 0.13 4.61 0.00 -0.58 -5.04 121.76 121.78 1fg6 s ALA 195 Ca 0.00 0.52 0.04 0.00 0.00 0.00 0.00 51.96 52.52 1fg6 s ALA 195 Cb 0.00 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 1fg6 s ALA 195 CO 0.00 0.04 -0.11 0.95 0.00 0.00 0.00 175.76 176.65 1fg6 s THR 196 N -0.26 1.14 -0.17 0.00 -4.23 -1.26 -4.67 115.64 106.19 1fg6 s THR 196 Ca 0.44 -1.90 -0.06 0.00 -1.18 0.00 0.00 61.69 58.99 1fg6 s THR 196 Cb -0.23 -1.67 -0.04 0.00 1.34 0.00 0.00 72.50 71.90 1fg6 s THR 196 CO 0.29 -0.65 0.03 -0.22 -0.54 0.00 0.00 174.62 173.53 1fg6 s LEU 197 N -2.87 3.63 0.05 4.79 2.96 -1.26 -5.10 118.68 120.88 1fg6 s LEU 197 Ca 0.13 0.01 0.05 0.00 -0.22 0.00 0.00 54.13 54.09 1fg6 s LEU 197 Cb -0.00 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 1fg6 s LEU 197 CO 0.01 0.17 -0.13 0.20 -1.32 0.00 0.00 176.35 175.28 1fg6 s ASN 198 N 0.37 1.55 0.00 3.68 0.01 -1.26 -5.30 114.94 113.99 1fg6 s ASN 198 Ca 0.01 -0.53 0.00 0.00 -0.71 0.00 0.00 52.86 51.63 1fg6 s ASN 198 Cb -0.13 -0.06 0.00 0.00 0.41 0.00 0.00 41.25 41.47 1fg6 s ASN 198 CO 0.01 -0.04 0.00 2.22 -1.51 0.00 0.00 177.10 177.78