#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1urf s ILE 120 N 0.00 2.85 0.48 -0.61 1.01 -1.26 -4.90 121.20 118.77 1urf s ILE 120 Ca 0.00 0.65 0.18 0.00 0.00 0.00 0.00 60.65 61.47 1urf s ILE 120 Cb 0.00 -3.41 0.34 0.00 0.01 0.00 0.00 42.46 39.39 1urf s ILE 120 CO 0.00 0.07 2.01 -0.65 0.00 0.00 0.00 174.94 176.38 1urf h PRO 121 N 6.14 0.21 -3.38 2.79 0.11 -2.13 -3.46 132.00 132.30 1urf h PRO 121 Ca -0.44 -0.01 -0.31 0.00 0.11 0.00 0.00 66.00 65.35 1urf h PRO 121 Cb 1.21 -0.05 0.04 0.00 0.11 0.00 0.00 31.00 32.31 1urf h PRO 121 CO 0.85 0.14 -0.46 0.00 -0.21 0.00 0.00 178.00 178.32 1urf n ALA 122 N -2.56 -0.71 -3.03 -0.75 0.00 -1.26 -4.94 120.51 107.26 1urf n ALA 122 Ca 0.07 0.21 -0.44 0.00 0.00 0.00 0.00 53.44 53.28 1urf n ALA 122 Cb 0.39 -2.95 -0.01 0.00 0.00 0.00 0.00 19.45 16.88 1urf n ALA 122 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1urf s THR 123 N -3.00 5.10 0.00 0.00 2.01 -1.26 -4.19 115.64 114.30 1urf s THR 123 Ca 0.20 -2.33 0.00 0.00 0.31 0.00 0.00 61.69 59.87 1urf s THR 123 Cb -0.09 -4.78 0.00 0.00 0.01 0.00 0.00 72.50 67.64 1urf s THR 123 CO 0.25 -1.46 0.00 -3.20 -0.69 0.00 0.00 174.62 169.52 1urf n ASN 124 N 5.44 0.00 -0.07 3.53 5.15 -1.26 -4.94 115.26 123.10 1urf n ASN 124 Ca 0.28 0.00 0.14 0.00 -0.60 0.00 0.00 54.58 54.40 1urf n ASN 124 Cb 0.45 0.00 0.54 0.00 -0.53 0.00 0.00 39.78 40.24 1urf n ASN 124 CO 0.00 0.00 0.00 0.17 1.40 0.00 0.00 177.26 178.83 1urf h LEU 125 N 0.00 0.29 -0.09 1.20 8.10 -2.00 -0.69 115.31 122.13 1urf h LEU 125 Ca 0.00 0.01 -0.03 0.00 0.11 0.00 0.00 57.88 57.97 1urf h LEU 125 Cb 0.00 -0.05 -0.00 0.00 -0.44 0.00 0.00 40.66 40.17 1urf h LEU 125 CO 0.00 0.17 -0.04 0.77 -4.11 0.00 0.00 178.44 175.23 1urf h SER 126 N 0.32 0.19 -0.30 0.17 4.64 -1.92 -1.78 113.55 114.87 1urf h SER 126 Ca 0.28 -0.41 -0.04 0.00 -0.47 0.00 0.00 61.79 61.15 1urf h SER 126 Cb 0.66 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 1urf h SER 126 CO -0.07 0.56 0.04 -0.09 -0.87 0.00 0.00 176.83 176.40 1urf h ARG 127 N -0.18 0.51 -0.52 4.77 2.43 -1.77 -2.49 114.38 117.12 1urf h ARG 127 Ca 0.02 -0.14 -0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1urf h ARG 127 Cb 0.49 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 1urf h ARG 127 CO 0.01 0.62 0.32 -0.24 -1.51 0.00 0.00 179.97 179.17 1urf h VAL 128 N 0.33 1.16 -0.62 0.20 3.04 -1.20 -2.49 116.25 116.66 1urf h VAL 128 Ca 0.09 -0.34 0.03 0.00 -1.01 0.00 0.00 66.70 65.47 1urf h VAL 128 Cb 0.36 0.44 -0.04 0.00 -2.01 0.00 0.00 31.29 30.04 1urf h VAL 128 CO 0.01 0.16 0.37 0.00 -1.01 0.00 0.00 177.57 177.10 1urf h ALA 129 N 1.16 0.80 -0.50 3.17 0.00 -1.25 -0.85 119.26 121.79 1urf h ALA 129 Ca 0.19 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1urf h ALA 129 Cb -0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1urf h ALA 129 CO -0.04 0.11 0.24 0.78 0.00 0.00 0.00 179.25 180.35 1urf h GLY 130 N 0.73 0.77 0.99 0.00 0.00 -1.17 -1.17 103.07 103.23 1urf h GLY 130 Ca 0.25 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 47.12 1urf h GLY 130 CO -0.11 0.36 -0.06 1.41 0.00 0.00 0.00 176.54 178.14 1urf h LEU 131 N 0.67 0.80 -0.16 3.11 3.38 -1.17 -2.64 115.31 119.30 1urf h LEU 131 Ca 0.17 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1urf h LEU 131 Cb 0.11 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1urf h LEU 131 CO -0.02 0.95 0.05 -0.33 0.09 0.00 0.00 178.44 179.17 1urf h GLU 132 N 0.64 0.24 -0.76 1.13 5.08 -1.03 -2.17 114.58 117.71 1urf h GLU 132 Ca 0.12 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1urf h GLU 132 Cb 0.57 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 1urf h GLU 132 CO 0.03 0.37 0.49 1.57 -1.00 0.00 0.00 179.01 180.47 1urf h LYS 133 N 0.07 0.93 -0.89 2.33 2.10 -1.23 -2.04 116.57 117.85 1urf h LYS 133 Ca 0.05 -0.06 -0.02 0.00 -2.00 0.00 0.00 60.65 58.62 1urf h LYS 133 Cb 0.23 -0.21 -0.04 0.00 -0.90 0.00 0.00 32.23 31.30 1urf h LYS 133 CO -0.00 0.62 0.48 1.96 -2.00 0.00 0.00 179.45 180.50 1urf h GLN 134 N 0.96 1.24 -0.98 0.07 1.08 -1.38 -2.15 115.11 113.95 1urf h GLN 134 Ca 0.29 -0.15 0.03 0.00 -1.45 0.00 0.00 58.65 57.38 1urf h GLN 134 Cb -0.03 -0.24 -0.06 0.00 -0.05 0.00 0.00 27.48 27.11 1urf h GLN 134 CO -0.10 0.92 0.64 1.25 -0.95 0.00 0.00 178.83 180.59 1urf h LEU 135 N 1.24 1.07 -0.38 1.46 7.12 -0.71 -1.92 115.31 123.19 1urf h LEU 135 Ca 0.31 -0.01 -0.07 0.00 0.13 0.00 0.00 57.88 58.24 1urf h LEU 135 Cb 0.04 -0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 39.91 1urf h LEU 135 CO -0.05 0.74 -0.05 0.00 -0.13 0.00 0.00 178.44 178.95 1urf h ALA 136 N 1.40 0.52 -0.04 1.25 0.00 -0.95 -2.84 119.26 118.61 1urf h ALA 136 Ca 0.39 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1urf h ALA 136 Cb -0.01 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1urf h ALA 136 CO -0.12 0.34 0.02 0.82 0.00 0.00 0.00 179.25 180.31 1urf h ILE 137 N 0.52 1.01 -0.71 0.00 2.04 -0.90 -2.16 117.51 117.30 1urf h ILE 137 Ca 0.10 -0.02 0.04 0.00 1.00 0.00 0.00 64.86 65.98 1urf h ILE 137 Cb 0.55 0.96 -0.05 0.00 -0.74 0.00 0.00 36.82 37.54 1urf h ILE 137 CO 0.03 0.01 0.43 1.05 0.00 0.00 0.00 178.15 179.67 1urf h GLU 138 N 0.05 0.81 -0.78 2.37 4.11 -1.39 -2.23 114.58 117.52 1urf h GLU 138 Ca 0.01 -0.05 0.01 0.00 0.07 0.00 0.00 59.36 59.40 1urf h GLU 138 Cb -0.01 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.02 1urf h GLU 138 CO -0.00 0.54 0.51 -0.07 0.07 0.00 0.00 179.01 180.05 1urf h LEU 139 N 0.83 0.90 -0.27 3.06 3.38 -1.30 -1.56 115.31 120.35 1urf h LEU 139 Ca 0.29 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1urf h LEU 139 Cb 0.07 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1urf h LEU 139 CO -0.13 0.66 0.18 0.11 0.09 0.00 0.00 178.44 179.34 1urf h LYS 140 N 1.06 0.36 -0.57 1.13 1.79 -0.82 -1.45 116.57 118.08 1urf h LYS 140 Ca 0.28 -0.02 -0.05 0.00 -2.18 0.00 0.00 60.65 58.68 1urf h LYS 140 Cb -0.11 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.43 1urf h LYS 140 CO -0.06 0.24 0.14 0.28 -1.08 0.00 0.00 179.45 178.97 1urf h VAL 141 N 0.36 1.25 0.10 0.50 2.07 -1.23 -0.32 116.25 118.98 1urf h VAL 141 Ca 0.10 -0.88 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 1urf h VAL 141 Cb -0.04 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1urf h VAL 141 CO -0.02 0.33 -0.05 0.50 0.02 0.00 0.00 177.57 178.35 1urf h LYS 142 N 0.81 -0.13 -0.06 1.57 3.64 -1.08 -0.71 116.57 120.61 1urf h LYS 142 Ca 0.18 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 1urf h LYS 142 Cb 0.34 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1urf h LYS 142 CO 0.00 -0.08 0.01 1.96 -2.27 0.00 0.00 179.45 179.07 1urf h GLN 143 N -0.13 0.09 -0.80 1.90 4.20 -1.22 -2.47 115.11 116.68 1urf h GLN 143 Ca -0.01 -0.02 0.11 0.00 0.06 0.00 0.00 58.65 58.79 1urf h GLN 143 Cb 0.10 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 27.81 1urf h GLN 143 CO 0.02 0.29 0.52 0.78 -0.67 0.00 0.00 178.83 179.78 1urf h GLY 144 N -0.12 1.01 1.05 3.46 0.00 -0.99 -0.18 103.07 107.30 1urf h GLY 144 Ca 0.02 -0.28 -0.08 0.00 0.00 0.00 0.00 47.33 46.99 1urf h GLY 144 CO 0.00 0.14 0.10 0.00 0.00 0.00 0.00 176.54 176.78 1urf h ALA 145 N 1.61 0.84 -0.48 3.60 0.00 -0.91 -2.16 119.26 121.75 1urf h ALA 145 Ca 0.38 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1urf h ALA 145 Cb 0.56 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1urf h ALA 145 CO -0.15 0.60 0.25 0.93 0.00 0.00 0.00 179.25 180.88 1urf h GLU 146 N 0.96 0.69 -0.99 0.00 5.08 -0.60 -1.29 114.58 118.42 1urf h GLU 146 Ca 0.19 -0.09 0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1urf h GLU 146 Cb 0.43 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.51 1urf h GLU 146 CO 0.01 0.56 0.64 -0.91 -1.00 0.00 0.00 179.01 178.32 1urf h ASN 147 N 0.64 1.14 -0.37 1.42 4.21 -1.09 -0.95 115.58 120.59 1urf h ASN 147 Ca 0.17 -0.04 -0.04 0.00 1.21 0.00 0.00 56.30 57.59 1urf h ASN 147 Cb 0.09 -0.29 -0.01 0.00 -1.12 0.00 0.00 38.32 36.99 1urf h ASN 147 CO -0.02 0.84 0.05 0.24 -1.29 0.00 0.00 177.43 177.25 1urf h MET 148 N 1.34 0.61 -0.51 0.81 2.86 -1.00 -0.44 114.93 118.60 1urf h MET 148 Ca 0.36 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.82 1urf h MET 148 Cb -0.14 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.43 1urf h MET 148 CO -0.08 0.68 0.27 0.82 1.06 0.00 0.00 176.91 179.66 1urf h ILE 149 N 0.45 1.18 -0.25 -1.22 2.04 -0.83 -0.65 117.51 118.23 1urf h ILE 149 Ca 0.11 -0.49 -0.05 0.00 1.00 0.00 0.00 64.86 65.43 1urf h ILE 149 Cb 0.37 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1urf h ILE 149 CO 0.01 0.20 -0.04 1.56 0.00 0.00 0.00 178.15 179.88 1urf h GLN 150 N 0.68 0.48 0.03 2.37 1.08 -1.10 -1.28 115.11 117.37 1urf h GLN 150 Ca 0.18 -0.17 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1urf h GLN 150 Cb 0.08 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 1urf h GLN 150 CO -0.03 0.68 -0.02 1.15 -0.95 0.00 0.00 178.83 179.67 1urf h THR 151 N 0.23 1.04 -0.66 -0.54 2.02 -0.97 -3.08 112.91 110.95 1urf h THR 151 Ca 0.07 -0.22 -0.04 0.00 0.77 0.00 0.00 66.41 66.98 1urf h THR 151 Cb 0.50 1.19 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 1urf h THR 151 CO 0.02 0.06 0.25 1.88 0.37 0.00 0.00 175.52 178.09 1urf h TYR 152 N -0.14 1.02 -2.48 3.16 -1.99 -1.15 -3.41 116.97 111.98 1urf h TYR 152 Ca -0.00 -0.08 -0.55 0.00 2.00 0.00 0.00 58.73 60.09 1urf h TYR 152 Cb 0.13 -0.30 -0.00 0.00 2.00 0.00 0.00 36.73 38.55 1urf h TYR 152 CO -0.04 0.81 1.20 0.45 -0.00 0.00 0.00 178.16 180.57 1urf s SER 153 N -6.21 6.37 0.08 3.88 0.15 -0.48 -3.77 113.70 113.72 1urf s SER 153 Ca -0.13 2.21 0.00 0.00 0.70 0.00 0.00 55.95 58.73 1urf s SER 153 Cb 0.14 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 1urf s SER 153 CO 0.81 -1.18 0.00 0.59 1.20 0.00 0.00 173.24 174.67 1urf n ASN 154 N 8.15 -9.42 -1.52 5.45 4.13 -1.26 -4.90 115.26 115.88 1urf n ASN 154 Ca 0.20 1.74 0.12 0.00 1.68 0.00 0.00 54.58 58.32 1urf n ASN 154 Cb 0.43 -5.22 -0.07 0.00 -1.54 0.00 0.00 39.78 33.39 1urf n ASN 154 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1urf n GLY 155 N 1.90 -3.62 3.19 7.41 0.00 -1.26 -4.92 105.19 107.89 1urf n GLY 155 Ca 0.00 -0.95 -0.10 0.00 0.00 0.00 0.00 46.02 44.97 1urf n GLY 155 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1urf n SER 156 N -3.82 -7.06 -1.18 1.61 7.64 -1.26 -4.55 113.62 105.01 1urf n SER 156 Ca -0.07 -0.47 0.00 0.00 1.01 0.00 0.00 58.87 59.34 1urf n SER 156 Cb 0.63 -5.19 0.00 0.00 -1.01 0.00 0.00 64.21 58.64 1urf n SER 156 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1urf n THR 157 N -2.69 -3.55 -2.67 0.44 -1.04 -1.26 -4.13 114.28 99.38 1urf n THR 157 Ca -0.05 1.56 -0.04 0.00 -2.04 0.00 0.00 64.05 63.49 1urf n THR 157 Cb 0.57 -2.25 0.11 0.00 -1.82 0.00 0.00 70.33 66.94 1urf n THR 157 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1urf n LYS 158 N -1.37 1.17 -1.94 -2.82 2.85 -1.25 -4.02 118.16 110.77 1urf n LYS 158 Ca 0.00 -1.36 -0.42 0.00 -1.05 0.00 0.00 58.31 55.48 1urf n LYS 158 Cb 0.11 0.20 -0.03 0.00 -0.65 0.00 0.00 35.03 34.66 1urf n LYS 158 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1urf s ASP 159 N -1.05 6.60 0.10 -5.58 1.01 -1.26 -4.92 116.67 111.58 1urf s ASP 159 Ca 0.13 2.58 -0.16 0.00 0.71 0.00 0.00 52.55 55.81 1urf s ASP 159 Cb 0.39 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.67 1urf s ASP 159 CO -0.10 -0.83 1.52 0.03 0.21 0.00 0.00 175.17 176.00 1urf h ARG 160 N 7.08 0.62 -0.18 8.23 2.47 -2.00 -0.18 114.38 130.43 1urf h ARG 160 Ca -0.43 -0.22 0.02 0.00 -1.26 0.00 0.00 59.98 58.09 1urf h ARG 160 Cb 1.20 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 29.46 1urf h ARG 160 CO 0.91 0.78 0.05 0.87 0.56 0.00 0.00 179.97 183.15 1urf h LYS 161 N 0.40 0.13 -0.51 0.04 1.57 -2.00 -1.35 116.57 114.85 1urf h LYS 161 Ca 0.09 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.77 1urf h LYS 161 Cb 0.54 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 1urf h LYS 161 CO 0.03 0.09 -0.03 -0.07 -0.57 0.00 0.00 179.45 178.89 1urf h LEU 162 N 0.13 0.87 -0.35 2.94 3.38 -1.95 -2.65 115.31 117.68 1urf h LEU 162 Ca 0.08 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.85 1urf h LEU 162 Cb 0.06 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 1urf h LEU 162 CO -0.09 0.95 0.12 0.25 0.09 0.00 0.00 178.44 179.76 1urf h LEU 163 N 0.82 0.13 -0.72 1.67 5.85 -0.52 -1.25 115.31 121.29 1urf h LEU 163 Ca 0.15 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.87 1urf h LEU 163 Cb 0.54 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1urf h LEU 163 CO 0.03 0.11 0.30 -0.07 -0.34 0.00 0.00 178.44 178.47 1urf h LEU 164 N 0.27 0.98 -0.30 2.25 3.38 -1.14 -2.15 115.31 118.60 1urf h LEU 164 Ca 0.16 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1urf h LEU 164 Cb 0.13 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1urf h LEU 164 CO -0.16 0.88 0.19 0.74 0.09 0.00 0.00 178.44 180.18 1urf h THR 165 N 1.02 1.08 -0.03 0.22 2.02 -1.07 -0.61 112.91 115.54 1urf h THR 165 Ca 0.24 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 67.26 1urf h THR 165 Cb 0.19 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 67.26 1urf h THR 165 CO -0.02 0.08 0.02 0.00 0.37 0.00 0.00 175.52 175.97 1urf h ALA 166 N 1.10 0.04 -0.80 6.16 0.00 -1.09 -2.05 119.26 122.62 1urf h ALA 166 Ca 0.11 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1urf h ALA 166 Cb -0.03 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1urf h ALA 166 CO -0.02 -0.41 0.53 1.96 0.00 0.00 0.00 179.25 181.30 1urf h GLN 167 N -0.04 0.83 -0.89 0.00 4.20 -1.27 -0.35 115.11 117.59 1urf h GLN 167 Ca 0.01 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1urf h GLN 167 Cb 0.09 -0.19 -0.04 0.00 0.30 0.00 0.00 27.48 27.64 1urf h GLN 167 CO -0.00 0.55 0.56 0.37 -0.67 0.00 0.00 178.83 179.64 1urf h GLN 168 N 0.86 1.19 -0.84 1.46 4.15 -0.64 -1.76 115.11 119.54 1urf h GLN 168 Ca 0.35 -0.09 -0.02 0.00 0.77 0.00 0.00 58.65 59.66 1urf h GLN 168 Cb 0.26 -0.26 -0.04 0.00 0.21 0.00 0.00 27.48 27.65 1urf h GLN 168 CO -0.12 0.81 0.45 0.52 -1.93 0.00 0.00 178.83 178.55 1urf h MET 169 N 1.22 1.17 -0.72 1.69 2.86 -0.39 -2.48 114.93 118.28 1urf h MET 169 Ca 0.32 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.81 1urf h MET 169 Cb -0.09 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.31 1urf h MET 169 CO -0.07 0.87 0.41 1.25 1.06 0.00 0.00 176.91 180.44 1urf h LEU 170 N 1.17 0.89 -0.14 1.22 5.85 -0.77 -0.90 115.31 122.63 1urf h LEU 170 Ca 0.29 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.95 1urf h LEU 170 Cb 0.05 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1urf h LEU 170 CO -0.04 0.72 0.00 -0.61 -0.34 0.00 0.00 178.44 178.17 1urf h GLN 171 N 0.99 0.05 -0.75 1.25 4.15 -0.91 -1.21 115.11 118.68 1urf h GLN 171 Ca 0.26 -0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.63 1urf h GLN 171 Cb 0.01 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.66 1urf h GLN 171 CO -0.04 0.03 0.32 -0.44 -1.93 0.00 0.00 178.83 176.77 1urf h ASP 172 N 0.05 1.02 -0.58 -0.69 3.32 -1.26 -2.76 116.42 115.52 1urf h ASP 172 Ca 0.07 -0.16 0.04 0.00 0.02 0.00 0.00 57.03 56.99 1urf h ASP 172 Cb 0.08 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.32 1urf h ASP 172 CO -0.11 0.90 0.33 -1.28 -1.72 0.00 0.00 179.24 177.36 1urf h SER 173 N 1.07 0.51 0.07 6.45 0.87 -0.71 -1.60 113.55 120.22 1urf h SER 173 Ca 0.25 0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.84 1urf h SER 173 Cb 0.19 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 1urf h SER 173 CO -0.02 0.35 -0.10 0.11 -0.53 0.00 0.00 176.83 176.64 1urf h LYS 174 N 0.64 -0.20 -0.87 2.24 1.57 -0.98 -1.57 116.57 117.41 1urf h LYS 174 Ca 0.24 0.01 0.09 0.00 -1.87 0.00 0.00 60.65 59.13 1urf h LYS 174 Cb 0.09 0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.37 1urf h LYS 174 CO -0.13 -0.13 0.52 1.15 -0.57 0.00 0.00 179.45 180.28 1urf h THR 175 N -0.20 0.95 -0.61 -0.16 2.02 -1.22 -1.46 112.91 112.22 1urf h THR 175 Ca 0.02 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.89 1urf h THR 175 Cb 0.21 -0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 66.59 1urf h THR 175 CO -0.05 0.16 0.37 0.11 0.37 0.00 0.00 175.52 176.47 1urf h LYS 176 N 0.88 0.82 -0.48 6.66 1.79 -0.87 -1.64 116.57 123.73 1urf h LYS 176 Ca 0.41 -0.07 -0.00 0.00 -2.18 0.00 0.00 60.65 58.80 1urf h LYS 176 Cb 0.33 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 30.78 1urf h LYS 176 CO -0.23 0.59 0.29 0.82 -1.08 0.00 0.00 179.45 179.84 1urf h ILE 177 N 0.82 1.15 -0.20 1.86 2.04 -0.30 0.39 117.51 123.27 1urf h ILE 177 Ca 0.22 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 1urf h ILE 177 Cb -0.02 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 1urf h ILE 177 CO -0.04 0.15 0.06 0.44 0.00 0.00 0.00 178.15 178.77 1urf h ASP 178 N 0.64 0.29 0.05 1.72 5.19 -1.10 -0.85 116.42 122.36 1urf h ASP 178 Ca 0.17 -0.20 -0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1urf h ASP 178 Cb -0.00 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.43 1urf h ASP 178 CO -0.03 0.41 -0.02 0.40 -3.12 0.00 0.00 179.24 176.88 1urf h ILE 179 N 0.15 1.12 0.84 0.35 2.04 -1.19 -2.24 117.51 118.58 1urf h ILE 179 Ca 0.06 -0.56 -0.04 0.00 1.00 0.00 0.00 64.86 65.32 1urf h ILE 179 Cb 0.22 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1urf h ILE 179 CO -0.00 0.14 -0.44 0.40 0.00 0.00 0.00 178.15 178.25 1urf h ILE 180 N -0.32 0.10 -1.00 -0.67 2.04 -0.94 -2.28 117.51 114.46 1urf h ILE 180 Ca -0.01 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.05 1urf h ILE 180 Cb 0.29 0.10 -0.10 0.00 -0.74 0.00 0.00 36.82 36.37 1urf h ILE 180 CO 0.01 0.00 0.62 -0.09 0.00 0.00 0.00 178.15 178.69 1urf h ARG 181 N -1.18 0.66 -0.88 2.37 2.43 -1.23 0.26 114.38 116.81 1urf h ARG 181 Ca -0.11 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.01 1urf h ARG 181 Cb 0.92 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.28 1urf h ARG 181 CO 0.16 0.44 0.51 1.98 -1.51 0.00 0.00 179.97 181.55 1urf h MET 182 N 0.68 1.21 -0.58 0.20 4.05 -1.16 -2.38 114.93 116.94 1urf h MET 182 Ca 0.57 -0.12 -0.02 0.00 -0.28 0.00 0.00 59.70 59.85 1urf h MET 182 Cb 1.00 -0.25 -0.03 0.00 -0.80 0.00 0.00 31.60 31.53 1urf h MET 182 CO -0.35 0.86 0.30 1.96 0.23 0.00 0.00 176.91 179.91 1urf h GLN 183 N 1.22 0.83 -0.44 0.39 1.08 0.09 -2.55 115.11 115.73 1urf h GLN 183 Ca 0.31 -0.11 0.02 0.00 -1.45 0.00 0.00 58.65 57.42 1urf h GLN 183 Cb -0.02 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.23 1urf h GLN 183 CO -0.06 0.65 0.26 -0.07 -0.95 0.00 0.00 178.83 178.67 1urf h LEU 184 N 0.79 0.42 -0.66 1.46 4.07 -0.93 -2.19 115.31 118.27 1urf h LEU 184 Ca 0.20 0.00 0.07 0.00 0.08 0.00 0.00 57.88 58.24 1urf h LEU 184 Cb 0.08 -0.08 -0.06 0.00 1.08 0.00 0.00 40.66 41.68 1urf h LEU 184 CO -0.03 0.30 0.34 0.03 -1.08 0.00 0.00 178.44 178.00 1urf h ARG 185 N 0.52 0.60 -0.35 1.13 3.08 -1.20 -0.90 114.38 117.26 1urf h ARG 185 Ca 0.18 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 1urf h ARG 185 Cb 0.02 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 1urf h ARG 185 CO -0.08 0.40 0.18 -0.09 -1.07 0.00 0.00 179.97 179.31 1urf h ARG 186 N 0.62 0.48 -0.09 0.04 9.65 -1.03 -0.95 114.38 123.10 1urf h ARG 186 Ca 0.30 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 59.13 1urf h ARG 186 Cb 0.25 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 28.72 1urf h ARG 186 CO -0.21 0.36 0.02 0.00 2.80 0.00 0.00 179.97 182.94 1urf h ALA 187 N 1.72 0.12 -0.23 2.80 0.00 -0.57 -0.55 119.26 122.54 1urf h ALA 187 Ca 0.13 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1urf h ALA 187 Cb 0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1urf h ALA 187 CO -0.02 -0.25 -0.19 -0.07 0.00 0.00 0.00 179.25 178.72 1urf h LEU 188 N -0.08 0.57 -0.39 0.00 -0.00 -1.21 -2.22 115.31 111.99 1urf h LEU 188 Ca 0.03 -0.45 -0.01 0.00 -0.00 0.00 0.00 57.88 57.44 1urf h LEU 188 Cb 0.26 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 40.74 1urf h LEU 188 CO 0.00 0.90 0.20 1.56 -0.00 0.00 0.00 178.44 181.10 1urf h GLN 189 N 0.24 0.55 -0.36 1.13 4.20 -1.20 -1.44 115.11 118.24 1urf h GLN 189 Ca 0.04 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1urf h GLN 189 Cb 0.72 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.39 1urf h GLN 189 CO 0.05 0.47 0.13 0.00 -0.67 0.00 0.00 178.83 178.81 1urf h ALA 190 N 1.05 0.47 0.07 3.87 0.00 -1.13 -3.15 119.26 120.44 1urf h ALA 190 Ca 0.13 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1urf h ALA 190 Cb 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1urf h ALA 190 CO -0.02 0.09 -0.03 0.22 0.00 0.00 0.00 179.25 179.51 1urf h ASP 191 N 0.43 -0.08 -3.70 0.00 3.58 -1.29 -3.42 116.42 111.95 1urf h ASP 191 Ca 0.12 -0.02 -0.52 0.00 0.42 0.00 0.00 57.03 57.03 1urf h ASP 191 Cb 0.22 0.02 0.04 0.00 1.72 0.00 0.00 39.33 41.33 1urf h ASP 191 CO -0.01 -0.03 0.60 -1.10 -2.88 0.00 0.00 179.24 175.82 1urf s GLN 192 N -6.09 4.44 0.00 0.28 -0.21 -0.55 -4.75 119.66 112.77 1urf s GLN 192 Ca -0.14 2.06 0.00 0.00 0.02 0.00 0.00 55.36 57.31 1urf s GLN 192 Cb 0.06 -3.14 0.00 0.00 1.00 0.00 0.00 33.01 30.92 1urf s GLN 192 CO 0.66 -0.11 0.00 -0.11 -2.12 0.00 0.00 175.29 173.60 1urf n LEU 193 N 1.50 0.00 0.00 2.90 -0.00 -1.26 -4.86 117.00 115.28 1urf n LEU 193 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.03 1urf n LEU 193 Cb 0.43 0.15 0.00 0.00 -0.00 0.00 0.00 43.42 44.00 1urf n LEU 193 CO 0.57 -0.15 0.00 1.21 -0.00 0.00 0.00 177.39 179.02 1urf n GLU 194 N -1.74 1.14 0.00 1.96 2.13 -1.26 -5.06 120.64 117.81 1urf n GLU 194 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1urf n GLU 194 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1urf n GLU 194 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1urf n ASN 195 N 0.00 0.00 -4.71 4.31 2.04 -1.26 -5.13 115.26 110.51 1urf n ASN 195 Ca 0.00 0.00 -0.42 0.00 -0.44 0.00 0.00 54.58 53.72 1urf n ASN 195 Cb 0.00 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.22 1urf n ASN 195 CO 0.00 0.00 0.00 -1.10 -0.44 0.00 0.00 177.26 175.72 1urf s GLN 196 N -0.96 4.38 0.15 -3.83 -1.52 -1.26 -4.99 119.66 111.63 1urf s GLN 196 Ca 0.00 1.89 -0.30 0.00 -1.95 0.00 0.00 55.36 55.00 1urf s GLN 196 Cb 0.00 -3.32 -0.07 0.00 -0.22 0.00 0.00 33.01 29.40 1urf s GLN 196 CO 0.00 -0.34 1.19 0.00 -0.25 0.00 0.00 175.29 175.89 1urf s ALA 197 N 1.13 3.42 0.43 6.09 0.00 -1.26 -4.76 121.76 126.81 1urf s ALA 197 Ca 0.61 0.91 0.00 0.00 0.00 0.00 0.00 51.96 53.48 1urf s ALA 197 Cb -0.32 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1urf s ALA 197 CO 0.29 -0.37 0.00 0.00 0.00 0.00 0.00 175.76 175.68 1urf n ALA 198 N 2.88 -1.94 0.00 0.00 0.00 -1.26 -5.31 120.51 114.88 1urf n ALA 198 Ca 0.05 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1urf n ALA 198 Cb 0.45 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1urf n ALA 198 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20