#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1du3 s ARG 121 N 0.00 1.85 -0.35 3.69 3.00 -1.26 -4.99 118.95 120.88 1du3 s ARG 121 Ca 0.00 1.85 0.00 0.00 0.00 0.00 0.00 55.73 57.59 1du3 s ARG 121 Cb 0.00 -1.79 0.11 0.00 0.00 0.00 0.00 34.95 33.27 1du3 s ARG 121 CO 0.00 -2.08 0.15 0.08 0.00 0.00 0.00 175.30 173.45 1du3 s VAL 122 N -1.93 1.07 0.29 3.52 1.01 -1.26 -4.29 120.40 118.81 1du3 s VAL 122 Ca 0.76 -1.83 -0.17 0.00 0.00 0.00 0.00 61.98 60.74 1du3 s VAL 122 Cb -0.31 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.30 1du3 s VAL 122 CO 0.48 -0.76 0.66 0.00 0.00 0.00 0.00 175.10 175.47 1du3 s ALA 123 N 1.15 -0.82 -0.11 5.51 0.00 -0.79 -2.16 121.76 124.55 1du3 s ALA 123 Ca 0.13 -0.57 -0.30 0.00 0.00 0.00 0.00 51.96 51.22 1du3 s ALA 123 Cb -0.20 0.90 0.12 0.00 0.00 0.00 0.00 23.12 23.94 1du3 s ALA 123 CO -0.15 -0.97 0.97 0.00 0.00 0.00 0.00 175.76 175.61 1du3 s ALA 124 N -3.69 -1.90 -0.23 0.00 0.00 0.15 -0.76 121.76 115.33 1du3 s ALA 124 Ca 0.15 1.41 -0.09 0.00 0.00 0.00 0.00 51.96 53.43 1du3 s ALA 124 Cb -0.04 -0.33 0.09 0.00 0.00 0.00 0.00 23.12 22.84 1du3 s ALA 124 CO 0.09 -0.44 0.51 -1.58 0.00 0.00 0.00 175.76 174.33 1du3 s HIS 125 N -1.78 -0.92 0.02 0.00 5.04 -0.88 -1.88 115.29 114.89 1du3 s HIS 125 Ca 0.01 1.75 0.03 0.00 -1.54 0.00 0.00 55.06 55.30 1du3 s HIS 125 Cb -0.01 0.46 -0.01 0.00 0.04 0.00 0.00 32.58 33.06 1du3 s HIS 125 CO -0.02 -0.50 -0.10 0.96 -2.34 0.00 0.00 174.74 172.74 1du3 s ILE 126 N 2.31 0.75 0.49 0.89 -4.36 0.15 -0.37 121.20 121.06 1du3 s ILE 126 Ca -0.05 -0.71 0.05 0.00 -0.26 0.00 0.00 60.65 59.67 1du3 s ILE 126 Cb -0.10 -0.69 -0.01 0.00 1.25 0.00 0.00 42.46 42.90 1du3 s ILE 126 CO -0.15 -0.00 0.18 0.42 0.24 0.00 0.00 174.94 175.62 1du3 s THR 127 N -0.66 1.70 -0.04 8.37 -4.23 -1.26 -1.20 115.64 118.31 1du3 s THR 127 Ca -0.00 -1.75 -0.30 0.00 -1.18 0.00 0.00 61.69 58.46 1du3 s THR 127 Cb -0.06 -2.45 -0.03 0.00 1.34 0.00 0.00 72.50 71.30 1du3 s THR 127 CO 0.00 0.00 1.04 -0.83 -0.54 0.00 0.00 174.62 174.30 1du3 s GLY 128 N -4.00 2.53 0.00 3.99 0.00 -0.57 -1.43 107.32 107.84 1du3 s GLY 128 Ca 0.27 0.52 0.00 0.00 0.00 0.00 0.00 44.72 45.50 1du3 s GLY 128 CO 0.15 1.89 0.00 -1.30 0.00 0.00 0.00 173.10 173.84 1du3 n THR 129 N 4.26 0.00 0.00 0.90 -2.24 -1.24 -2.22 114.28 113.74 1du3 n THR 129 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1du3 n THR 129 Cb 0.49 -1.39 0.00 0.00 -2.10 0.00 0.00 70.33 67.33 1du3 n THR 129 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1du3 n ARG 130 N -0.49 0.00 0.00 -0.78 0.63 -1.26 -4.22 116.66 110.54 1du3 n ARG 130 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1du3 n ARG 130 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1du3 n ARG 130 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1du3 n GLY 131 N -0.29 3.31 3.83 5.14 0.00 -1.26 -4.97 105.19 110.96 1du3 n GLY 131 Ca 0.00 -1.87 -0.34 0.00 0.00 0.00 0.00 46.02 43.81 1du3 n GLY 131 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1du3 s ARG 132 N -2.54 4.12 0.83 1.61 3.52 -1.26 -1.96 118.95 123.27 1du3 s ARG 132 Ca 0.00 0.80 -0.12 0.00 -0.13 0.00 0.00 55.73 56.28 1du3 s ARG 132 Cb 0.00 -2.53 0.10 0.00 -1.56 0.00 0.00 34.95 30.96 1du3 s ARG 132 CO 0.00 0.20 1.18 -1.12 -0.81 0.00 0.00 175.30 174.74 1du3 s SER 133 N -2.08 3.51 0.53 -2.12 0.01 -1.26 -4.94 113.70 107.35 1du3 s SER 133 Ca 0.52 2.26 -0.20 0.00 1.31 0.00 0.00 55.95 59.85 1du3 s SER 133 Cb -0.12 -2.58 -0.09 0.00 0.21 0.00 0.00 66.02 63.44 1du3 s SER 133 CO 0.18 -2.72 0.65 -3.20 0.41 0.00 0.00 173.24 168.57 1du3 n ASN 134 N -3.56 -0.46 -2.38 2.44 2.85 -1.26 -5.14 115.26 107.76 1du3 n ASN 134 Ca 0.13 0.81 -0.15 0.00 -0.11 0.00 0.00 54.58 55.26 1du3 n ASN 134 Cb 0.51 -1.22 0.03 0.00 1.24 0.00 0.00 39.78 40.34 1du3 n ASN 134 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1du3 n THR 135 N -1.40 1.99 0.00 -0.44 -2.24 -1.26 -5.25 114.28 105.69 1du3 n THR 135 Ca 0.12 -3.77 0.00 0.00 -2.27 0.00 0.00 64.05 58.13 1du3 n THR 135 Cb 0.45 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 1du3 n THR 135 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1du3 n ALA 146 N -0.61 -0.95 -1.85 6.98 0.00 -1.26 -5.34 120.51 117.48 1du3 n ALA 146 Ca 0.29 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.42 1du3 n ALA 146 Cb 0.88 -0.41 0.04 0.00 0.00 0.00 0.00 19.45 19.95 1du3 n ALA 146 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1du3 s LEU 147 N -1.95 3.00 0.00 0.00 1.43 -1.26 -4.87 118.68 115.03 1du3 s LEU 147 Ca 0.00 1.25 0.00 0.00 -1.03 0.00 0.00 54.13 54.35 1du3 s LEU 147 Cb 0.00 -4.12 0.00 0.00 0.03 0.00 0.00 46.19 42.10 1du3 s LEU 147 CO 0.00 -1.23 0.00 0.61 0.23 0.00 0.00 176.35 175.96 1du3 n GLY 148 N -2.84 0.51 2.83 -3.19 0.00 -1.26 -4.49 105.19 96.74 1du3 n GLY 148 Ca 0.07 -0.81 -0.22 0.00 0.00 0.00 0.00 46.02 45.06 1du3 n GLY 148 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1du3 s ARG 149 N 0.00 0.78 0.26 1.61 0.52 0.48 -4.74 118.95 117.85 1du3 s ARG 149 Ca 0.00 -0.00 -0.31 0.00 -0.52 0.00 0.00 55.73 54.90 1du3 s ARG 149 Cb 0.00 -0.99 -0.12 0.00 0.52 0.00 0.00 34.95 34.36 1du3 s ARG 149 CO 0.00 -0.22 1.53 1.17 0.02 0.00 0.00 175.30 177.80 1du3 n LYS 150 N 4.75 2.41 -3.20 3.54 4.81 -1.26 -1.08 118.16 128.13 1du3 n LYS 150 Ca -0.14 0.86 -0.40 0.00 -0.87 0.00 0.00 58.31 57.76 1du3 n LYS 150 Cb 0.50 -2.60 -0.07 0.00 0.02 0.00 0.00 35.03 32.88 1du3 n LYS 150 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1du3 s ILE 151 N 0.12 5.03 -0.65 3.15 1.01 0.11 -4.91 121.20 125.06 1du3 s ILE 151 Ca 0.67 0.89 0.06 0.00 0.00 0.00 0.00 60.65 62.27 1du3 s ILE 151 Cb -0.57 -3.88 0.03 0.00 0.01 0.00 0.00 42.46 38.06 1du3 s ILE 151 CO 0.47 0.03 0.63 -0.46 0.00 0.00 0.00 174.94 175.61 1du3 n ASN 152 N 5.63 1.34 -0.06 3.58 0.23 -1.26 -4.66 115.26 120.06 1du3 n ASN 152 Ca -0.03 -1.17 0.07 0.00 -0.53 0.00 0.00 54.58 52.92 1du3 n ASN 152 Cb 0.49 0.10 0.41 0.00 -2.08 0.00 0.00 39.78 38.71 1du3 n ASN 152 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1du3 n SER 153 N 0.17 0.17 -4.52 0.53 3.41 -1.26 -4.26 113.62 107.87 1du3 n SER 153 Ca 0.03 -1.58 -0.30 0.00 -0.26 0.00 0.00 58.87 56.76 1du3 n SER 153 Cb 0.13 -0.01 0.21 0.00 -0.26 0.00 0.00 64.21 64.28 1du3 n SER 153 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1du3 n TRP 154 N -0.61 -0.56 -2.14 7.33 5.03 -1.26 -3.65 117.44 121.58 1du3 n TRP 154 Ca 0.11 0.09 -0.31 0.00 3.03 0.00 0.00 57.50 60.42 1du3 n TRP 154 Cb 0.08 -1.80 -0.00 0.00 -1.03 0.00 0.00 31.31 28.55 1du3 n TRP 154 CO 0.00 0.00 0.00 -1.21 -0.03 0.00 0.00 177.69 176.45 1du3 s GLU 155 N -4.35 3.68 0.00 -0.99 2.02 -0.51 -4.83 118.70 113.72 1du3 s GLU 155 Ca 0.66 0.72 0.00 0.00 0.02 0.00 0.00 54.97 56.37 1du3 s GLU 155 Cb -0.23 -2.15 0.00 0.00 0.10 0.00 0.00 34.13 31.85 1du3 s GLU 155 CO 0.63 -0.43 0.22 -1.13 0.02 0.00 0.00 175.26 174.57 1du3 n SER 156 N -2.34 0.44 -4.44 -0.19 3.41 -1.26 -4.71 113.62 104.52 1du3 n SER 156 Ca 0.05 -0.95 -0.23 0.00 -0.26 0.00 0.00 58.87 57.47 1du3 n SER 156 Cb 0.54 0.03 -0.10 0.00 -0.26 0.00 0.00 64.21 64.42 1du3 n SER 156 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1du3 s SER 157 N -0.03 3.39 0.52 4.04 1.04 -1.26 -4.77 113.70 116.63 1du3 s SER 157 Ca 0.00 -1.01 -0.22 0.00 0.48 0.00 0.00 55.95 55.21 1du3 s SER 157 Cb 0.00 -0.27 -0.06 0.00 0.10 0.00 0.00 66.02 65.80 1du3 s SER 157 CO 0.00 0.01 1.26 -0.60 0.98 0.00 0.00 173.24 174.89 1du3 s ARG 158 N -3.43 3.35 0.00 4.02 3.00 -1.26 -4.62 118.95 120.00 1du3 s ARG 158 Ca 0.28 1.99 0.00 0.00 -1.00 0.00 0.00 55.73 57.00 1du3 s ARG 158 Cb -0.05 -2.26 0.00 0.00 0.00 0.00 0.00 34.95 32.64 1du3 s ARG 158 CO 0.13 -0.95 0.00 -1.13 0.00 0.00 0.00 175.30 173.35 1du3 n SER 159 N -0.92 0.00 -0.63 -2.12 3.41 -0.71 -4.97 113.62 107.68 1du3 n SER 159 Ca 0.10 -0.53 0.08 0.00 -0.26 0.00 0.00 58.87 58.26 1du3 n SER 159 Cb 0.47 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 64.67 1du3 n SER 159 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1du3 n GLY 160 N 0.00 0.55 0.33 5.00 0.00 -1.26 -4.04 105.19 105.78 1du3 n GLY 160 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1du3 n GLY 160 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1du3 n HIS 161 N 0.48 0.00 -3.53 1.61 1.44 -1.26 -5.11 115.22 108.85 1du3 n HIS 161 Ca 0.14 0.00 -0.17 0.00 -2.01 0.00 0.00 57.72 55.68 1du3 n HIS 161 Cb 0.32 0.07 -0.06 0.00 0.12 0.00 0.00 29.99 30.45 1du3 n HIS 161 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 1du3 s SER 162 N -0.38 -0.61 0.26 4.39 1.04 -1.26 -4.57 113.70 112.58 1du3 s SER 162 Ca 0.00 0.65 -0.17 0.00 0.48 0.00 0.00 55.95 56.91 1du3 s SER 162 Cb 0.00 0.50 0.01 0.00 0.10 0.00 0.00 66.02 66.63 1du3 s SER 162 CO 0.00 -0.57 0.61 0.72 0.98 0.00 0.00 173.24 174.98 1du3 s PHE 163 N -1.22 0.04 -0.21 5.02 -0.71 0.50 -1.74 117.98 119.66 1du3 s PHE 163 Ca -0.09 -0.46 -0.04 0.00 -1.04 0.00 0.00 56.93 55.31 1du3 s PHE 163 Cb -0.00 0.48 0.10 0.00 -1.21 0.00 0.00 43.02 42.39 1du3 s PHE 163 CO 0.08 -1.12 0.29 -0.51 -1.34 0.00 0.00 175.22 172.61 1du3 s LEU 164 N -2.96 -0.33 -0.25 -1.99 1.02 -1.26 -2.08 118.68 110.83 1du3 s LEU 164 Ca 0.16 0.07 0.01 0.00 0.02 0.00 0.00 54.13 54.38 1du3 s LEU 164 Cb -0.04 0.70 0.04 0.00 0.02 0.00 0.00 46.19 46.92 1du3 s LEU 164 CO 0.07 -0.30 -0.10 -0.55 0.02 0.00 0.00 176.35 175.49 1du3 s SER 165 N 2.42 4.27 -1.49 2.29 0.15 0.06 -4.62 113.70 116.79 1du3 s SER 165 Ca 0.08 -1.12 -0.06 0.00 0.70 0.00 0.00 55.95 55.55 1du3 s SER 165 Cb -0.15 -1.59 0.02 0.00 -1.71 0.00 0.00 66.02 62.59 1du3 s SER 165 CO -0.13 -0.15 0.60 0.59 1.20 0.00 0.00 173.24 175.35 1du3 n ASN 166 N 4.55 -5.54 -3.58 5.45 3.02 -1.26 -1.89 115.26 116.02 1du3 n ASN 166 Ca -0.16 -0.32 -0.12 0.00 -0.03 0.00 0.00 54.58 53.95 1du3 n ASN 166 Cb 0.45 -4.49 -0.04 0.00 -0.61 0.00 0.00 39.78 35.09 1du3 n ASN 166 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1du3 s LEU 167 N -6.67 0.07 0.09 3.41 1.02 -1.26 -4.27 118.68 111.06 1du3 s LEU 167 Ca 0.34 -0.09 -0.07 0.00 0.02 0.00 0.00 54.13 54.33 1du3 s LEU 167 Cb -0.16 2.06 -0.01 0.00 0.02 0.00 0.00 46.19 48.10 1du3 s LEU 167 CO 0.42 -0.82 0.15 -1.38 0.02 0.00 0.00 176.35 174.74 1du3 s HIS 168 N -3.29 0.25 -0.11 0.29 -3.43 -1.16 -4.80 115.29 103.04 1du3 s HIS 168 Ca -0.00 -0.70 -0.05 0.00 -0.80 0.00 0.00 55.06 53.50 1du3 s HIS 168 Cb 0.00 -0.13 -0.04 0.00 -1.43 0.00 0.00 32.58 30.98 1du3 s HIS 168 CO -0.08 -0.52 0.09 -1.17 -2.00 0.00 0.00 174.74 171.05 1du3 s LEU 169 N -2.88 4.09 -0.29 5.38 2.96 -1.26 -0.06 118.68 126.61 1du3 s LEU 169 Ca 0.06 0.34 0.01 0.00 -0.22 0.00 0.00 54.13 54.32 1du3 s LEU 169 Cb 0.05 -1.98 0.15 0.00 0.50 0.00 0.00 46.19 44.92 1du3 s LEU 169 CO -0.10 0.38 0.38 -0.60 -1.32 0.00 0.00 176.35 175.09 1du3 s ARG 170 N -0.87 0.39 -0.82 1.98 6.06 0.12 -4.87 118.95 120.94 1du3 s ARG 170 Ca 0.14 0.04 -0.05 0.00 -2.50 0.00 0.00 55.73 53.36 1du3 s ARG 170 Cb -0.12 -0.40 0.01 0.00 0.06 0.00 0.00 34.95 34.49 1du3 s ARG 170 CO 0.03 -1.04 0.63 0.09 -2.50 0.00 0.00 175.30 172.52 1du3 n ASN 171 N 5.33 -4.52 0.00 -2.12 4.13 -1.26 -2.87 115.26 113.95 1du3 n ASN 171 Ca 0.00 -0.29 0.00 0.00 1.68 0.00 0.00 54.58 55.97 1du3 n ASN 171 Cb 0.48 -3.15 0.00 0.00 -1.54 0.00 0.00 39.78 35.57 1du3 n ASN 171 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1du3 n GLY 172 N -1.36 0.63 3.36 7.41 0.00 -1.26 -4.81 105.19 109.16 1du3 n GLY 172 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1du3 n GLY 172 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1du3 s GLU 173 N -0.03 2.74 -0.14 1.61 2.02 -1.14 -4.60 118.70 119.17 1du3 s GLU 173 Ca 0.00 -0.79 -0.29 0.00 0.02 0.00 0.00 54.97 53.92 1du3 s GLU 173 Cb 0.00 -2.35 -0.01 0.00 0.10 0.00 0.00 34.13 31.88 1du3 s GLU 173 CO 0.00 0.42 0.98 -0.51 0.02 0.00 0.00 175.26 176.17 1du3 s LEU 174 N -0.21 4.20 -0.27 1.80 1.43 -0.10 -0.70 118.68 124.83 1du3 s LEU 174 Ca -0.01 1.44 -0.10 0.00 -1.03 0.00 0.00 54.13 54.43 1du3 s LEU 174 Cb -0.13 -3.50 -0.05 0.00 0.03 0.00 0.00 46.19 42.54 1du3 s LEU 174 CO 0.03 -0.49 0.17 -0.69 0.23 0.00 0.00 176.35 175.61 1du3 s VAL 175 N 2.28 5.17 0.32 -1.59 1.01 0.91 -1.53 120.40 126.97 1du3 s VAL 175 Ca 0.46 0.12 -0.27 0.00 0.00 0.00 0.00 61.98 62.29 1du3 s VAL 175 Cb -0.17 -3.45 -0.09 0.00 0.00 0.00 0.00 36.38 32.66 1du3 s VAL 175 CO 0.14 0.27 1.01 -0.63 0.00 0.00 0.00 175.10 175.89 1du3 s ILE 176 N 1.72 3.88 -0.09 2.22 -1.09 -1.06 -2.98 121.20 123.80 1du3 s ILE 176 Ca 0.07 1.65 0.00 0.00 -2.23 0.00 0.00 60.65 60.14 1du3 s ILE 176 Cb -0.16 -3.96 -0.05 0.00 -1.58 0.00 0.00 42.46 36.71 1du3 s ILE 176 CO 0.10 0.21 -0.08 1.41 -1.23 0.00 0.00 174.94 175.35 1du3 n HIS 177 N 0.68 0.00 -4.56 3.97 8.25 -1.26 -0.89 115.22 121.40 1du3 n HIS 177 Ca 0.01 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.14 1du3 n HIS 177 Cb 0.48 -0.33 -0.12 0.00 1.12 0.00 0.00 29.99 31.15 1du3 n HIS 177 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1du3 s GLU 178 N -2.17 3.16 0.53 -0.41 2.02 -1.26 -4.67 118.70 115.89 1du3 s GLU 178 Ca -0.12 -0.55 -0.20 0.00 0.02 0.00 0.00 54.97 54.12 1du3 s GLU 178 Cb 0.03 -2.71 -0.07 0.00 0.10 0.00 0.00 34.13 31.48 1du3 s GLU 178 CO 0.19 0.46 1.11 0.21 0.02 0.00 0.00 175.26 177.25 1du3 s LYS 179 N -0.25 3.48 0.00 1.61 2.20 -1.26 -4.70 119.74 120.82 1du3 s LYS 179 Ca 0.03 1.56 0.00 0.00 -0.36 0.00 0.00 55.97 57.20 1du3 s LYS 179 Cb -0.13 -2.04 0.00 0.00 -1.51 0.00 0.00 37.83 34.15 1du3 s LYS 179 CO 0.03 -0.74 0.00 0.41 -0.36 0.00 0.00 175.35 174.69 1du3 n GLY 180 N 0.07 0.60 3.70 5.54 0.00 -0.94 -5.02 105.19 109.14 1du3 n GLY 180 Ca 0.11 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 1du3 n GLY 180 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1du3 s PHE 181 N -1.58 3.58 -0.12 1.61 0.08 -1.26 -2.11 117.98 118.18 1du3 s PHE 181 Ca 0.00 1.59 0.02 0.00 0.12 0.00 0.00 56.93 58.67 1du3 s PHE 181 Cb 0.00 -3.11 0.01 0.00 -0.57 0.00 0.00 43.02 39.35 1du3 s PHE 181 CO 0.00 -0.10 -0.19 0.71 -0.10 0.00 0.00 175.22 175.54 1du3 s TYR 182 N 1.46 2.33 -0.26 0.36 2.02 0.01 -0.16 117.35 123.11 1du3 s TYR 182 Ca 0.49 -1.14 -0.26 0.00 -0.37 0.00 0.00 57.07 55.78 1du3 s TYR 182 Cb -0.19 -1.63 0.00 0.00 -0.40 0.00 0.00 41.96 39.74 1du3 s TYR 182 CO 0.22 -0.55 0.92 -0.47 -1.57 0.00 0.00 175.55 174.11 1du3 s TYR 183 N 0.89 3.28 -0.08 2.71 5.04 0.10 -1.67 117.35 127.62 1du3 s TYR 183 Ca -0.07 1.20 0.01 0.00 -2.44 0.00 0.00 57.07 55.77 1du3 s TYR 183 Cb -0.15 -3.24 -0.03 0.00 0.35 0.00 0.00 41.96 38.89 1du3 s TYR 183 CO -0.02 -0.50 -0.10 0.42 -1.34 0.00 0.00 175.55 174.01 1du3 s ILE 184 N 3.09 3.43 0.12 3.14 1.01 0.11 -1.71 121.20 130.39 1du3 s ILE 184 Ca 0.39 -0.57 -0.08 0.00 0.00 0.00 0.00 60.65 60.39 1du3 s ILE 184 Cb -0.15 -2.40 -0.01 0.00 0.01 0.00 0.00 42.46 39.91 1du3 s ILE 184 CO 0.09 0.58 0.22 -0.72 0.00 0.00 0.00 174.94 175.10 1du3 s TYR 185 N -0.50 0.32 -0.25 3.97 -0.85 -0.12 -1.21 117.35 118.70 1du3 s TYR 185 Ca 0.07 -0.72 -0.25 0.00 -0.52 0.00 0.00 57.07 55.64 1du3 s TYR 185 Cb -0.12 -0.10 0.07 0.00 0.38 0.00 0.00 41.96 42.20 1du3 s TYR 185 CO 0.02 -0.61 0.72 0.45 -1.52 0.00 0.00 175.55 174.61 1du3 s SER 186 N -2.92 -0.74 -0.01 -0.18 0.15 -0.82 -1.89 113.70 107.28 1du3 s SER 186 Ca 0.12 1.39 0.08 0.00 0.70 0.00 0.00 55.95 58.23 1du3 s SER 186 Cb 0.04 1.39 -0.02 0.00 -1.71 0.00 0.00 66.02 65.73 1du3 s SER 186 CO -0.05 -0.27 -0.24 -1.58 1.20 0.00 0.00 173.24 172.29 1du3 s GLN 187 N 0.27 1.91 -0.04 5.44 0.74 -0.78 -2.60 119.66 124.60 1du3 s GLN 187 Ca -0.01 -0.88 -0.02 0.00 0.05 0.00 0.00 55.36 54.50 1du3 s GLN 187 Cb -0.05 -1.87 0.03 0.00 1.10 0.00 0.00 33.01 32.22 1du3 s GLN 187 CO 0.01 0.51 0.07 0.95 -0.55 0.00 0.00 175.29 176.29 1du3 s THR 188 N -0.59 -0.12 -0.35 -0.34 -4.23 -0.45 -1.45 115.64 108.10 1du3 s THR 188 Ca 0.09 0.39 -0.21 0.00 -1.18 0.00 0.00 61.69 60.79 1du3 s THR 188 Cb -0.09 -0.16 0.00 0.00 1.34 0.00 0.00 72.50 73.59 1du3 s THR 188 CO -0.01 0.16 0.67 -0.47 -0.54 0.00 0.00 174.62 174.44 1du3 s TYR 189 N 2.06 3.15 -0.34 3.99 5.04 -1.25 -1.95 117.35 128.04 1du3 s TYR 189 Ca 0.03 0.41 -0.15 0.00 -2.44 0.00 0.00 57.07 54.92 1du3 s TYR 189 Cb -0.12 -3.19 -0.01 0.00 0.35 0.00 0.00 41.96 38.98 1du3 s TYR 189 CO -0.03 -0.64 0.34 -0.06 -1.34 0.00 0.00 175.55 173.82 1du3 s PHE 190 N 2.79 3.21 -0.18 4.97 0.40 -0.73 0.82 117.98 129.27 1du3 s PHE 190 Ca 0.26 -0.04 -0.04 0.00 -0.60 0.00 0.00 56.93 56.51 1du3 s PHE 190 Cb -0.14 -2.64 0.06 0.00 0.51 0.00 0.00 43.02 40.81 1du3 s PHE 190 CO 0.15 -0.41 0.07 0.50 0.70 0.00 0.00 175.22 176.23 1du3 s ARG 191 N 1.97 0.24 0.03 0.44 3.52 -0.40 0.10 118.95 124.86 1du3 s ARG 191 Ca 0.11 -0.18 0.04 0.00 -0.13 0.00 0.00 55.73 55.56 1du3 s ARG 191 Cb -0.17 -1.91 -0.02 0.00 -1.56 0.00 0.00 34.95 31.29 1du3 s ARG 191 CO 0.11 -0.66 -0.11 -0.59 -0.81 0.00 0.00 175.30 173.25 1du3 s PHE 192 N 2.05 0.93 -0.78 5.12 -0.12 -0.61 -4.81 117.98 119.76 1du3 s PHE 192 Ca 0.01 -0.36 0.03 0.00 -0.05 0.00 0.00 56.93 56.56 1du3 s PHE 192 Cb -0.16 -0.56 0.27 0.00 -0.63 0.00 0.00 43.02 41.94 1du3 s PHE 192 CO -0.09 -0.01 1.00 0.94 -0.05 0.00 0.00 175.22 177.02 1du3 n GLN 193 N 1.92 3.21 -1.22 1.99 7.27 -1.26 -0.33 117.38 128.96 1du3 n GLN 193 Ca -0.19 -4.65 -0.31 0.00 0.07 0.00 0.00 57.00 51.92 1du3 n GLN 193 Cb 0.55 -2.34 0.10 0.00 2.41 0.00 0.00 30.24 30.96 1du3 n GLN 193 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 1du3 s GLU 194 N -2.65 2.07 -0.08 3.69 0.41 -1.17 -4.93 118.70 116.04 1du3 s GLU 194 Ca 0.37 1.31 0.02 0.00 -0.41 0.00 0.00 54.97 56.26 1du3 s GLU 194 Cb 0.12 -1.87 0.01 0.00 -1.78 0.00 0.00 34.13 30.62 1du3 s GLU 194 CO 0.02 -1.80 -0.15 -2.00 -0.49 0.00 0.00 175.26 170.84 1du3 s GLU 195 N -4.69 2.03 -0.44 1.61 2.56 -1.26 -4.53 118.70 113.97 1du3 s GLU 195 Ca 0.64 -0.51 -0.27 0.00 0.00 0.00 0.00 54.97 54.83 1du3 s GLU 195 Cb -0.19 -1.68 -0.07 0.00 2.00 0.00 0.00 34.13 34.19 1du3 s GLU 195 CO 0.54 0.01 2.38 0.44 -0.56 0.00 0.00 175.26 178.07 1du3 n ILE 196 N 3.93 0.01 -2.72 -3.70 -6.64 -1.26 -4.93 119.36 104.05 1du3 n ILE 196 Ca -0.21 -0.70 -0.41 0.00 -1.77 0.00 0.00 62.75 59.66 1du3 n ILE 196 Cb 0.52 -2.67 -0.04 0.00 -1.44 0.00 0.00 39.64 36.01 1du3 n ILE 196 CO 0.00 0.00 0.00 -0.54 -1.77 0.00 0.00 176.55 174.24 1du3 s LYS 197 N 7.86 4.69 0.00 6.28 1.02 -1.26 -5.03 119.74 133.30 1du3 s LYS 197 Ca 1.00 1.46 0.00 0.00 0.02 0.00 0.00 55.97 58.45 1du3 s LYS 197 Cb -0.26 -3.38 0.00 0.00 -0.52 0.00 0.00 37.83 33.67 1du3 s LYS 197 CO 0.29 0.20 0.70 0.39 -0.92 0.00 0.00 175.35 176.01 1du3 n GLU 198 N 2.84 0.00 -1.10 1.68 4.71 -1.26 -4.05 120.64 123.45 1du3 n GLU 198 Ca 0.03 0.25 -0.17 0.00 -0.01 0.00 0.00 57.16 57.25 1du3 n GLU 198 Cb 0.49 -1.20 -0.06 0.00 -1.01 0.00 0.00 31.44 29.66 1du3 n GLU 198 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1du3 n ASN 199 N -1.16 5.97 -3.59 1.62 5.15 -1.26 -4.87 115.26 117.12 1du3 n ASN 199 Ca 0.00 -2.87 -0.11 0.00 -0.60 0.00 0.00 54.58 51.01 1du3 n ASN 199 Cb 0.00 -1.24 -0.03 0.00 -0.53 0.00 0.00 39.78 37.98 1du3 n ASN 199 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1du3 s THR 200 N -1.02 0.02 0.36 -0.44 -1.32 -1.26 -5.15 115.64 106.83 1du3 s THR 200 Ca 0.49 -0.42 -0.19 0.00 -1.21 0.00 0.00 61.69 60.35 1du3 s THR 200 Cb 0.29 -1.28 -0.10 0.00 -1.51 0.00 0.00 72.50 69.90 1du3 s THR 200 CO -0.09 -0.10 0.84 -0.54 -2.21 0.00 0.00 174.62 172.53 1du3 s LYS 201 N -3.81 4.17 0.00 7.08 1.02 -1.26 -4.89 119.74 122.04 1du3 s LYS 201 Ca 0.05 0.93 0.01 0.00 0.02 0.00 0.00 55.97 56.97 1du3 s LYS 201 Cb -0.01 -2.40 0.01 0.00 -0.52 0.00 0.00 37.83 34.91 1du3 s LYS 201 CO -0.08 0.11 0.53 0.09 -0.92 0.00 0.00 175.35 175.07 1du3 n ASN 202 N -0.31 1.07 -4.71 2.83 3.02 -1.26 -5.03 115.26 110.88 1du3 n ASN 202 Ca 0.04 -1.03 -0.42 0.00 -0.03 0.00 0.00 54.58 53.14 1du3 n ASN 202 Cb 0.53 0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.68 1du3 n ASN 202 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 1du3 s ASP 203 N -0.09 6.49 -0.09 6.41 -4.77 -1.26 -4.99 116.67 118.38 1du3 s ASP 203 Ca 0.01 2.70 0.01 0.00 -3.30 0.00 0.00 52.55 51.97 1du3 s ASP 203 Cb 0.01 -2.58 -0.02 0.00 -1.09 0.00 0.00 42.92 39.23 1du3 s ASP 203 CO 0.01 -0.92 -0.11 -0.54 0.70 0.00 0.00 175.17 174.31 1du3 s LYS 204 N 1.77 2.93 -0.41 2.11 1.02 -1.26 -5.02 119.74 120.89 1du3 s LYS 204 Ca 0.75 -0.65 -0.05 0.00 0.02 0.00 0.00 55.97 56.04 1du3 s LYS 204 Cb -0.45 -2.55 0.09 0.00 -0.52 0.00 0.00 37.83 34.40 1du3 s LYS 204 CO 0.33 0.47 0.21 -0.65 -0.92 0.00 0.00 175.35 174.79 1du3 s GLN 205 N -0.32 2.30 -0.26 1.68 -0.21 -1.26 -2.43 119.66 119.15 1du3 s GLN 205 Ca 0.03 -1.63 -0.16 0.00 0.02 0.00 0.00 55.36 53.63 1du3 s GLN 205 Cb -0.13 -3.63 -0.03 0.00 1.00 0.00 0.00 33.01 30.22 1du3 s GLN 205 CO 0.02 -0.99 0.41 -1.64 -2.12 0.00 0.00 175.29 170.97 1du3 s MET 206 N 1.27 4.04 -0.01 2.91 -1.94 -0.82 -4.63 119.30 120.12 1du3 s MET 206 Ca 0.05 0.12 0.01 0.00 -1.71 0.00 0.00 55.69 54.15 1du3 s MET 206 Cb -0.23 -3.65 0.00 0.00 2.01 0.00 0.00 34.83 32.96 1du3 s MET 206 CO -0.01 -0.29 -0.03 0.08 -0.01 0.00 0.00 175.02 174.76 1du3 s VAL 207 N 2.10 0.28 -0.16 -6.03 1.01 -1.26 -1.03 120.40 115.30 1du3 s VAL 207 Ca 0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 1du3 s VAL 207 Cb -0.16 -0.26 -0.01 0.00 0.00 0.00 0.00 36.38 35.96 1du3 s VAL 207 CO 0.10 0.09 -0.13 -1.58 0.00 0.00 0.00 175.10 173.58 1du3 s GLN 208 N 0.11 3.29 -0.10 2.72 0.74 -0.48 -2.39 119.66 123.55 1du3 s GLN 208 Ca -0.01 -0.71 0.02 0.00 0.05 0.00 0.00 55.36 54.71 1du3 s GLN 208 Cb -0.04 -2.69 -0.02 0.00 1.10 0.00 0.00 33.01 31.36 1du3 s GLN 208 CO -0.00 0.04 -0.15 0.71 -0.55 0.00 0.00 175.29 175.33 1du3 s TYR 209 N 0.79 2.73 -0.30 1.67 2.02 -0.32 -2.12 117.35 121.81 1du3 s TYR 209 Ca -0.05 -0.53 -0.04 0.00 -0.37 0.00 0.00 57.07 56.09 1du3 s TYR 209 Cb -0.15 -1.75 0.04 0.00 -0.40 0.00 0.00 41.96 39.69 1du3 s TYR 209 CO 0.01 -0.10 0.04 0.42 -1.57 0.00 0.00 175.55 174.34 1du3 s ILE 210 N -0.02 3.38 0.32 2.71 1.01 -0.35 -0.80 121.20 127.45 1du3 s ILE 210 Ca -0.04 -1.13 0.07 0.00 0.00 0.00 0.00 60.65 59.55 1du3 s ILE 210 Cb -0.14 -2.86 -0.03 0.00 0.01 0.00 0.00 42.46 39.44 1du3 s ILE 210 CO 0.04 -0.05 0.31 -0.31 0.00 0.00 0.00 174.94 174.93 1du3 s TYR 211 N 1.35 2.97 0.07 3.97 2.02 -0.05 0.35 117.35 128.03 1du3 s TYR 211 Ca -0.02 -0.26 0.03 0.00 -0.37 0.00 0.00 57.07 56.45 1du3 s TYR 211 Cb -0.19 -1.77 -0.03 0.00 -0.40 0.00 0.00 41.96 39.57 1du3 s TYR 211 CO 0.00 0.20 -0.10 -1.59 -1.57 0.00 0.00 175.55 172.49 1du3 s LYS 212 N -4.00 0.70 -0.33 -0.62 -2.85 0.03 -1.20 119.74 111.48 1du3 s LYS 212 Ca 0.40 -0.94 0.03 0.00 -1.00 0.00 0.00 55.97 54.46 1du3 s LYS 212 Cb -0.07 -0.50 0.10 0.00 -2.06 0.00 0.00 37.83 35.30 1du3 s LYS 212 CO 0.27 0.09 0.06 0.71 0.10 0.00 0.00 175.35 176.58 1du3 s TYR 213 N -1.70 3.24 0.41 1.78 2.02 0.39 -1.36 117.35 122.13 1du3 s TYR 213 Ca -0.03 -2.67 0.06 0.00 -0.37 0.00 0.00 57.07 54.06 1du3 s TYR 213 Cb -0.08 -2.60 0.06 0.00 -0.40 0.00 0.00 41.96 38.94 1du3 s TYR 213 CO 0.01 -0.93 0.53 -2.37 -1.57 0.00 0.00 175.55 171.22 1du3 n THR 214 N 4.41 0.00 -0.77 -0.71 5.66 -1.26 -1.61 114.28 120.00 1du3 n THR 214 Ca 0.02 -1.41 -0.43 0.00 -3.05 0.00 0.00 64.05 59.18 1du3 n THR 214 Cb 0.42 -0.58 -0.09 0.00 -1.55 0.00 0.00 70.33 68.53 1du3 n THR 214 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1du3 n SER 215 N -2.43 1.70 -3.63 1.09 3.41 -1.26 -4.60 113.62 107.90 1du3 n SER 215 Ca 0.10 -2.56 -0.03 0.00 -0.26 0.00 0.00 58.87 56.11 1du3 n SER 215 Cb 0.43 -0.77 -0.06 0.00 -0.26 0.00 0.00 64.21 63.54 1du3 n SER 215 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1du3 s TYR 216 N 6.02 -0.77 0.18 7.33 5.04 -1.26 -5.09 117.35 128.80 1du3 s TYR 216 Ca 0.62 1.51 -0.13 0.00 -2.44 0.00 0.00 57.07 56.62 1du3 s TYR 216 Cb 0.14 0.46 0.20 0.00 0.35 0.00 0.00 41.96 43.12 1du3 s TYR 216 CO 0.23 -0.38 1.21 -2.30 -1.34 0.00 0.00 175.55 172.97 1du3 n PRO 217 N 4.06 -0.17 -3.39 4.97 -0.02 -1.26 -4.69 135.00 134.50 1du3 n PRO 217 Ca -0.18 1.20 -0.31 0.00 -2.02 0.00 0.00 63.50 62.19 1du3 n PRO 217 Cb 0.57 -1.78 -0.04 0.00 -0.02 0.00 0.00 33.50 32.23 1du3 n PRO 217 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1du3 s ASP 218 N -5.27 6.55 0.10 2.55 1.01 -1.26 -5.05 116.67 115.29 1du3 s ASP 218 Ca -0.11 0.83 -0.30 0.00 0.71 0.00 0.00 52.55 53.68 1du3 s ASP 218 Cb 0.16 -2.19 -0.06 0.00 1.01 0.00 0.00 42.92 41.84 1du3 s ASP 218 CO 0.56 -0.12 1.16 -2.16 0.21 0.00 0.00 175.17 174.82 1du3 s PRO 219 N -3.10 4.49 -0.23 8.23 0.04 -1.26 -4.75 135.00 138.41 1du3 s PRO 219 Ca 0.46 1.74 -0.10 0.00 0.04 0.00 0.00 61.00 63.14 1du3 s PRO 219 Cb -0.11 -3.32 -0.05 0.00 0.04 0.00 0.00 34.50 31.06 1du3 s PRO 219 CO 0.25 -0.13 0.13 0.42 0.04 0.00 0.00 177.00 177.71 1du3 s ILE 220 N 0.57 5.13 0.26 0.56 1.01 -0.47 -4.80 121.20 123.46 1du3 s ILE 220 Ca 0.55 0.10 -0.30 0.00 0.00 0.00 0.00 60.65 61.00 1du3 s ILE 220 Cb -0.29 -3.38 -0.10 0.00 0.01 0.00 0.00 42.46 38.70 1du3 s ILE 220 CO 0.31 0.36 1.43 -0.22 0.00 0.00 0.00 174.94 176.83 1du3 s LEU 221 N 1.01 4.39 -0.23 2.97 2.96 -1.26 -0.78 118.68 127.74 1du3 s LEU 221 Ca 0.06 2.68 -0.07 0.00 -0.22 0.00 0.00 54.13 56.58 1du3 s LEU 221 Cb -0.14 -3.63 -0.11 0.00 0.50 0.00 0.00 46.19 42.82 1du3 s LEU 221 CO 0.04 -0.69 -0.26 0.18 -1.32 0.00 0.00 176.35 174.29 1du3 n LEU 222 N 2.17 2.07 -3.47 -0.68 4.77 0.15 -4.90 117.00 117.11 1du3 n LEU 222 Ca 0.06 0.15 -0.14 0.00 -0.03 0.00 0.00 56.01 56.05 1du3 n LEU 222 Cb 0.40 -0.70 -0.04 0.00 -2.33 0.00 0.00 43.42 40.75 1du3 n LEU 222 CO 0.60 0.61 0.39 -0.04 -1.33 0.00 0.00 177.39 177.62 1du3 s MET 223 N -2.43 1.18 -0.01 3.23 -1.94 -1.14 -5.00 119.30 113.20 1du3 s MET 223 Ca -0.31 -0.24 -0.04 0.00 -1.71 0.00 0.00 55.69 53.39 1du3 s MET 223 Cb 0.11 0.55 -0.00 0.00 2.01 0.00 0.00 34.83 37.49 1du3 s MET 223 CO 0.44 -0.47 0.08 -1.59 -0.01 0.00 0.00 175.02 173.47 1du3 s LYS 224 N -2.86 0.30 -0.01 2.03 -2.85 -1.26 -1.21 119.74 113.89 1du3 s LYS 224 Ca -0.03 -0.25 0.01 0.00 -1.00 0.00 0.00 55.97 54.70 1du3 s LYS 224 Cb -0.01 0.12 0.01 0.00 -2.06 0.00 0.00 37.83 35.89 1du3 s LYS 224 CO -0.05 -0.06 -0.03 0.45 0.10 0.00 0.00 175.35 175.76 1du3 s SER 225 N -0.87 0.47 0.04 0.03 0.15 -0.90 -4.98 113.70 107.65 1du3 s SER 225 Ca -0.10 -0.06 0.01 0.00 0.70 0.00 0.00 55.95 56.50 1du3 s SER 225 Cb -0.06 -0.12 -0.03 0.00 -1.71 0.00 0.00 66.02 64.11 1du3 s SER 225 CO 0.00 0.01 -0.05 0.00 1.20 0.00 0.00 173.24 174.40 1du3 s ALA 226 N 0.23 0.45 0.18 5.45 0.00 -1.26 -1.38 121.76 125.43 1du3 s ALA 226 Ca -0.02 -0.85 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 1du3 s ALA 226 Cb -0.05 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 1du3 s ALA 226 CO -0.00 -0.16 0.09 1.03 0.00 0.00 0.00 175.76 176.72 1du3 s ARG 227 N -2.21 1.10 -0.03 0.00 1.81 -0.20 -5.02 118.95 114.41 1du3 s ARG 227 Ca -0.07 -1.56 0.01 0.00 -1.72 0.00 0.00 55.73 52.40 1du3 s ARG 227 Cb -0.05 0.20 0.01 0.00 -0.45 0.00 0.00 34.95 34.67 1du3 s ARG 227 CO -0.02 -0.32 -0.04 0.54 -0.68 0.00 0.00 175.30 174.77 1du3 s ASN 228 N -3.13 0.79 1.20 0.23 2.20 -1.26 -1.94 114.94 113.04 1du3 s ASN 228 Ca 0.32 -0.11 -0.13 0.00 -0.94 0.00 0.00 52.86 52.01 1du3 s ASN 228 Cb 0.07 -0.30 0.30 0.00 -2.00 0.00 0.00 41.25 39.32 1du3 s ASN 228 CO 0.08 -0.02 1.01 -0.94 -2.94 0.00 0.00 177.10 174.29 1du3 s SER 229 N 0.59 0.64 0.42 3.54 1.04 -1.02 -4.93 113.70 113.97 1du3 s SER 229 Ca -0.07 1.53 -0.24 0.00 0.48 0.00 0.00 55.95 57.64 1du3 s SER 229 Cb -0.11 -2.35 -0.08 0.00 0.10 0.00 0.00 66.02 63.59 1du3 s SER 229 CO -0.00 -4.42 1.17 0.00 0.98 0.00 0.00 173.24 170.98 1du3 n TRP 231 N -0.10 0.17 -2.19 0.00 7.02 -1.26 -4.91 117.44 116.17 1du3 n TRP 231 Ca 0.05 -0.09 -0.42 0.00 -1.02 0.00 0.00 57.50 56.03 1du3 n TRP 231 Cb 0.47 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.33 1du3 n TRP 231 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1du3 s SER 232 N -1.69 6.85 0.00 -0.99 0.15 -1.26 -4.86 113.70 111.91 1du3 s SER 232 Ca 0.34 2.38 0.10 0.00 0.70 0.00 0.00 55.95 59.47 1du3 s SER 232 Cb 0.19 -2.60 0.46 0.00 -1.71 0.00 0.00 66.02 62.35 1du3 s SER 232 CO 0.29 -0.59 1.30 2.29 1.20 0.00 0.00 173.24 177.72 1du3 n LYS 233 N 3.22 0.04 -0.39 5.44 2.85 -1.26 -1.46 118.16 126.60 1du3 n LYS 233 Ca 0.09 0.29 0.12 0.00 -1.05 0.00 0.00 58.31 57.75 1du3 n LYS 233 Cb 0.42 -1.50 0.32 0.00 -0.65 0.00 0.00 35.03 33.63 1du3 n LYS 233 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1du3 n ASP 234 N -1.45 3.96 -4.70 -5.58 8.00 -1.26 -4.94 116.55 110.58 1du3 n ASP 234 Ca 0.03 -2.03 -0.42 0.00 0.71 0.00 0.00 54.79 53.08 1du3 n ASP 234 Cb 0.11 -0.49 -0.03 0.00 -0.02 0.00 0.00 41.12 40.69 1du3 n ASP 234 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1du3 s ALA 235 N -1.07 3.57 -0.13 2.24 0.00 -0.54 -4.87 121.76 120.96 1du3 s ALA 235 Ca 0.49 1.01 0.18 0.00 0.00 0.00 0.00 51.96 53.64 1du3 s ALA 235 Cb 0.26 -3.55 -0.27 0.00 0.00 0.00 0.00 23.12 19.56 1du3 s ALA 235 CO 0.33 -0.72 0.21 0.39 0.00 0.00 0.00 175.76 175.97 1du3 n GLU 236 N 4.51 0.79 -3.73 0.00 1.02 -1.26 -4.77 120.64 117.20 1du3 n GLU 236 Ca 0.12 -0.08 -0.01 0.00 -0.02 0.00 0.00 57.16 57.18 1du3 n GLU 236 Cb 0.43 -1.49 -0.00 0.00 -0.02 0.00 0.00 31.44 30.36 1du3 n GLU 236 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1du3 s TYR 237 N -2.83 -0.06 -0.01 -0.32 -0.85 -1.26 -3.03 117.35 108.99 1du3 s TYR 237 Ca -0.09 -0.16 -0.08 0.00 -0.52 0.00 0.00 57.07 56.22 1du3 s TYR 237 Cb 0.08 0.60 0.01 0.00 0.38 0.00 0.00 41.96 43.03 1du3 s TYR 237 CO 0.81 -0.55 0.18 0.20 -1.52 0.00 0.00 175.55 174.66 1du3 s GLY 238 N -3.08 -0.02 -0.11 5.49 0.00 0.55 -4.94 107.32 105.22 1du3 s GLY 238 Ca 0.15 0.05 -0.02 0.00 0.00 0.00 0.00 44.72 44.91 1du3 s GLY 238 CO -0.00 -0.09 0.00 1.08 0.00 0.00 0.00 173.10 174.09 1du3 s LEU 239 N -1.14 0.81 -0.32 0.66 1.43 -1.26 -1.57 118.68 117.29 1du3 s LEU 239 Ca -0.12 -0.29 -0.02 0.00 -1.03 0.00 0.00 54.13 52.67 1du3 s LEU 239 Cb -0.06 -0.53 0.12 0.00 0.03 0.00 0.00 46.19 45.75 1du3 s LEU 239 CO 0.02 -0.21 0.17 -0.31 0.23 0.00 0.00 176.35 176.24 1du3 s TYR 240 N 1.91 0.62 0.05 0.29 1.51 0.11 -4.99 117.35 116.85 1du3 s TYR 240 Ca 0.04 -1.29 -0.24 0.00 -1.01 0.00 0.00 57.07 54.56 1du3 s TYR 240 Cb -0.13 -0.98 -0.06 0.00 -0.11 0.00 0.00 41.96 40.68 1du3 s TYR 240 CO -0.06 -0.83 0.72 -1.12 -1.11 0.00 0.00 175.55 173.15 1du3 s SER 241 N 1.57 7.17 -0.12 2.29 0.01 -1.26 -1.78 113.70 121.58 1du3 s SER 241 Ca 0.13 1.39 0.02 0.00 1.31 0.00 0.00 55.95 58.81 1du3 s SER 241 Cb -0.19 -2.44 0.01 0.00 0.21 0.00 0.00 66.02 63.61 1du3 s SER 241 CO -0.19 0.06 -0.18 -0.63 0.41 0.00 0.00 173.24 172.72 1du3 s ILE 242 N -0.23 1.74 0.08 1.44 1.01 -0.82 -4.96 121.20 119.46 1du3 s ILE 242 Ca 0.36 -0.78 0.09 0.00 0.00 0.00 0.00 60.65 60.31 1du3 s ILE 242 Cb -0.20 -1.56 -0.03 0.00 0.01 0.00 0.00 42.46 40.67 1du3 s ILE 242 CO 0.22 0.49 -0.23 -0.47 0.00 0.00 0.00 174.94 174.95 1du3 s TYR 243 N 0.93 1.98 0.08 3.97 6.14 -1.26 -1.35 117.35 127.84 1du3 s TYR 243 Ca -0.06 -0.40 -0.26 0.00 0.64 0.00 0.00 57.07 56.99 1du3 s TYR 243 Cb -0.15 -1.12 0.07 0.00 0.42 0.00 0.00 41.96 41.18 1du3 s TYR 243 CO -0.02 0.19 0.66 1.14 0.64 0.00 0.00 175.55 178.16 1du3 s GLN 244 N -1.62 1.16 0.04 4.97 -2.07 -1.07 -5.00 119.66 116.08 1du3 s GLN 244 Ca 0.09 -0.25 -0.27 0.00 -1.82 0.00 0.00 55.36 53.11 1du3 s GLN 244 Cb -0.10 0.54 0.09 0.00 -1.09 0.00 0.00 33.01 32.46 1du3 s GLN 244 CO 0.04 -0.47 0.82 0.20 -1.32 0.00 0.00 175.29 174.55 1du3 s GLY 245 N -2.28 -0.49 -0.07 2.60 0.00 -1.26 -1.95 107.32 103.87 1du3 s GLY 245 Ca -0.02 0.85 -0.32 0.00 0.00 0.00 0.00 44.72 45.23 1du3 s GLY 245 CO -0.06 0.28 1.32 -0.32 0.00 0.00 0.00 173.10 174.32 1du3 s GLY 246 N -2.56 -0.41 -0.14 0.20 0.00 -0.35 -4.95 107.32 99.10 1du3 s GLY 246 Ca 0.04 0.92 -0.05 0.00 0.00 0.00 0.00 44.72 45.64 1du3 s GLY 246 CO -0.09 0.21 0.04 -0.42 0.00 0.00 0.00 173.10 172.84 1du3 s ILE 247 N -2.31 4.66 0.01 0.90 1.01 -1.26 0.06 121.20 124.27 1du3 s ILE 247 Ca 0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 60.65 60.68 1du3 s ILE 247 Cb 0.05 -3.04 -0.01 0.00 0.01 0.00 0.00 42.46 39.47 1du3 s ILE 247 CO -0.05 0.54 0.00 -0.36 0.00 0.00 0.00 174.94 175.07 1du3 s PHE 248 N -0.26 0.11 -0.18 3.97 0.40 -0.67 -4.90 117.98 116.45 1du3 s PHE 248 Ca 0.07 -0.22 -0.27 0.00 -0.60 0.00 0.00 56.93 55.91 1du3 s PHE 248 Cb -0.12 -0.08 -0.01 0.00 0.51 0.00 0.00 43.02 43.32 1du3 s PHE 248 CO 0.02 -0.10 0.93 -2.00 0.70 0.00 0.00 175.22 174.77 1du3 s GLU 249 N -0.72 4.31 0.09 0.44 2.12 -1.26 -0.81 118.70 122.86 1du3 s GLU 249 Ca -0.08 1.20 0.09 0.00 0.36 0.00 0.00 54.97 56.54 1du3 s GLU 249 Cb -0.05 -3.59 -0.03 0.00 0.26 0.00 0.00 34.13 30.71 1du3 s GLU 249 CO -0.00 -0.43 -0.23 -0.51 -0.54 0.00 0.00 175.26 173.55 1du3 s LEU 250 N 2.49 2.26 0.34 2.70 1.43 -0.90 -5.00 118.68 122.01 1du3 s LEU 250 Ca 0.42 -0.65 0.07 0.00 -1.03 0.00 0.00 54.13 52.94 1du3 s LEU 250 Cb -0.16 -1.02 -0.02 0.00 0.03 0.00 0.00 46.19 45.02 1du3 s LEU 250 CO 0.11 0.13 0.38 -1.59 0.23 0.00 0.00 176.35 175.61 1du3 s LYS 251 N -1.71 2.86 0.43 1.70 -2.85 -1.26 -2.21 119.74 116.69 1du3 s LYS 251 Ca 0.09 -1.20 -0.24 0.00 -1.00 0.00 0.00 55.97 53.62 1du3 s LYS 251 Cb -0.10 -2.61 -0.10 0.00 -2.06 0.00 0.00 37.83 32.96 1du3 s LYS 251 CO 0.04 0.05 0.95 -1.91 0.10 0.00 0.00 175.35 174.58 1du3 n GLU 252 N -1.50 1.23 -0.38 1.78 2.13 -1.26 -1.70 120.64 120.93 1du3 n GLU 252 Ca -0.00 0.44 0.00 0.00 0.66 0.00 0.00 57.16 58.26 1du3 n GLU 252 Cb 0.59 -1.98 0.00 0.00 0.27 0.00 0.00 31.44 30.32 1du3 n GLU 252 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1du3 n ASN 253 N 0.54 0.00 -4.45 4.31 3.02 -0.07 -4.98 115.26 113.63 1du3 n ASN 253 Ca 0.10 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.37 1du3 n ASN 253 Cb 0.39 -0.84 0.27 0.00 -0.61 0.00 0.00 39.78 38.99 1du3 n ASN 253 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1du3 n ASP 254 N 0.00 -1.93 -3.75 6.41 9.92 -0.69 -4.73 116.55 121.77 1du3 n ASP 254 Ca 0.00 -0.22 -0.12 0.00 -0.53 0.00 0.00 54.79 53.92 1du3 n ASP 254 Cb 0.00 -1.24 -0.13 0.00 -0.64 0.00 0.00 41.12 39.12 1du3 n ASP 254 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1du3 s ARG 255 N -4.37 0.23 0.10 -1.24 0.52 -0.63 -2.57 118.95 111.00 1du3 s ARG 255 Ca 0.69 0.45 0.09 0.00 -0.52 0.00 0.00 55.73 56.44 1du3 s ARG 255 Cb -0.26 -0.02 -0.04 0.00 0.52 0.00 0.00 34.95 35.16 1du3 s ARG 255 CO 0.66 -0.11 -0.24 0.96 0.02 0.00 0.00 175.30 176.59 1du3 s ILE 256 N 0.81 1.99 0.25 1.52 -0.00 -0.58 0.15 121.20 125.34 1du3 s ILE 256 Ca -0.06 -1.59 -0.12 0.00 -0.00 0.00 0.00 60.65 58.89 1du3 s ILE 256 Cb -0.07 -1.77 -0.01 0.00 -0.00 0.00 0.00 42.46 40.62 1du3 s ILE 256 CO -0.05 0.08 0.45 0.72 -0.00 0.00 0.00 174.94 176.13 1du3 s PHE 257 N -1.04 0.45 -0.06 1.37 -0.12 -0.34 -0.92 117.98 117.32 1du3 s PHE 257 Ca 0.10 -0.80 0.04 0.00 -0.05 0.00 0.00 56.93 56.22 1du3 s PHE 257 Cb -0.10 0.12 -0.02 0.00 -0.63 0.00 0.00 43.02 42.39 1du3 s PHE 257 CO 0.05 -0.97 -0.17 0.08 -0.05 0.00 0.00 175.22 174.16 1du3 s VAL 258 N -4.00 2.80 0.09 -2.49 1.01 -1.26 -0.87 120.40 115.68 1du3 s VAL 258 Ca 0.24 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 61.48 1du3 s VAL 258 Cb -0.00 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 1du3 s VAL 258 CO 0.10 0.57 -0.17 -0.55 0.00 0.00 0.00 175.10 175.05 1du3 s SER 259 N -0.42 2.05 -0.01 3.32 0.15 0.01 -0.71 113.70 118.10 1du3 s SER 259 Ca 0.04 -0.68 -0.20 0.00 0.70 0.00 0.00 55.95 55.81 1du3 s SER 259 Cb -0.12 -0.09 0.04 0.00 -1.71 0.00 0.00 66.02 64.14 1du3 s SER 259 CO 0.02 -0.04 0.44 0.68 1.20 0.00 0.00 173.24 175.54 1du3 s VAL 260 N -1.41 0.04 0.93 4.45 -7.23 -0.24 -1.18 120.40 115.76 1du3 s VAL 260 Ca 0.03 -0.33 -0.13 0.00 -1.81 0.00 0.00 61.98 59.74 1du3 s VAL 260 Cb -0.09 -0.80 0.21 0.00 0.56 0.00 0.00 36.38 36.26 1du3 s VAL 260 CO 0.03 -0.18 1.28 0.42 -0.31 0.00 0.00 175.10 176.34 1du3 s THR 261 N -1.52 2.01 -0.67 5.32 -4.23 -1.01 -0.39 115.64 115.15 1du3 s THR 261 Ca -0.11 -0.14 -0.03 0.00 -1.18 0.00 0.00 61.69 60.23 1du3 s THR 261 Cb -0.03 -2.86 0.00 0.00 1.34 0.00 0.00 72.50 70.95 1du3 s THR 261 CO 0.05 0.00 0.05 0.59 -0.54 0.00 0.00 174.62 174.77 1du3 n ASN 262 N -3.63 0.05 0.29 3.99 3.02 -1.26 -4.72 115.26 113.00 1du3 n ASN 262 Ca 0.17 -0.57 0.15 0.00 -0.03 0.00 0.00 54.58 54.29 1du3 n ASN 262 Cb 0.59 -0.71 0.89 0.00 -0.61 0.00 0.00 39.78 39.95 1du3 n ASN 262 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 1du3 h GLU 263 N -0.11 0.00 0.00 3.52 4.11 -1.95 -1.07 114.58 119.08 1du3 h GLU 263 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.13 1du3 h GLU 263 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1du3 h GLU 263 CO 0.30 0.02 0.00 -2.39 0.07 0.00 0.00 179.01 177.01 1du3 n HIS 264 N -3.81 0.00 0.41 2.06 1.44 -1.26 -1.73 115.22 112.33 1du3 n HIS 264 Ca -0.03 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 55.74 1du3 n HIS 264 Cb 0.10 -0.25 -0.08 0.00 0.12 0.00 0.00 29.99 29.89 1du3 n HIS 264 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1du3 n LEU 265 N -1.25 0.41 -4.77 2.39 4.77 -0.40 -5.00 117.00 113.15 1du3 n LEU 265 Ca 0.04 -0.37 -0.39 0.00 -0.03 0.00 0.00 56.01 55.26 1du3 n LEU 265 Cb 0.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1du3 n LEU 265 CO 0.05 0.10 0.96 -0.63 -1.33 0.00 0.00 177.39 176.55 1du3 s ILE 266 N -2.32 2.54 -0.34 -0.08 -1.09 -0.71 -1.27 121.20 117.92 1du3 s ILE 266 Ca 0.02 0.46 -0.08 0.00 -2.23 0.00 0.00 60.65 58.82 1du3 s ILE 266 Cb 0.09 -3.26 0.03 0.00 -1.58 0.00 0.00 42.46 37.73 1du3 s ILE 266 CO 0.50 0.05 0.14 -0.62 -1.23 0.00 0.00 174.94 173.78 1du3 s ASP 267 N -0.80 5.44 -0.06 3.58 -1.08 0.24 -4.84 116.67 119.16 1du3 s ASP 267 Ca 0.60 -0.97 0.08 0.00 -0.52 0.00 0.00 52.55 51.74 1du3 s ASP 267 Cb -0.38 -1.93 0.34 0.00 -1.46 0.00 0.00 42.92 39.49 1du3 s ASP 267 CO 0.48 -0.31 1.14 0.23 0.52 0.00 0.00 175.17 177.23 1du3 n MET 268 N 4.90 2.36 -1.61 4.34 2.81 -1.26 -4.00 117.12 124.67 1du3 n MET 268 Ca -0.13 -1.34 -0.42 0.00 -1.81 0.00 0.00 57.70 54.00 1du3 n MET 268 Cb 0.46 -1.61 0.00 0.00 -0.71 0.00 0.00 33.22 31.37 1du3 n MET 268 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1du3 n ASP 269 N 0.37 1.32 0.16 7.83 8.00 -1.26 -3.62 116.55 129.34 1du3 n ASP 269 Ca 0.12 1.08 0.08 0.00 0.71 0.00 0.00 54.79 56.78 1du3 n ASP 269 Cb 0.52 -1.34 0.43 0.00 -0.02 0.00 0.00 41.12 40.71 1du3 n ASP 269 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1du3 n HIS 270 N -0.25 0.54 -0.06 1.24 1.44 -0.83 -1.14 115.22 116.15 1du3 n HIS 270 Ca 0.09 0.28 -0.05 0.00 -2.01 0.00 0.00 57.72 56.04 1du3 n HIS 270 Cb 0.37 -0.83 -0.13 0.00 0.12 0.00 0.00 29.99 29.52 1du3 n HIS 270 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1du3 n GLU 271 N -2.10 1.18 -0.05 -1.40 4.71 -1.26 -4.48 120.64 117.24 1du3 n GLU 271 Ca -0.01 -0.04 -0.13 0.00 -0.01 0.00 0.00 57.16 56.97 1du3 n GLU 271 Cb 0.20 -1.42 -0.08 0.00 -1.01 0.00 0.00 31.44 29.14 1du3 n GLU 271 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1du3 h ALA 272 N 0.96 0.18 -3.90 0.62 0.00 -1.42 -3.45 119.26 112.26 1du3 h ALA 272 Ca -0.35 -0.32 -0.56 0.00 0.00 0.00 0.00 54.91 53.68 1du3 h ALA 272 Cb 1.75 -0.04 -0.31 0.00 0.00 0.00 0.00 17.79 19.19 1du3 h ALA 272 CO 0.02 0.05 -0.84 -1.12 0.00 0.00 0.00 179.25 177.36 1du3 s SER 273 N -6.09 2.15 0.34 0.00 0.01 -1.02 -3.89 113.70 105.20 1du3 s SER 273 Ca -0.14 -0.35 -0.04 0.00 1.31 0.00 0.00 55.95 56.72 1du3 s SER 273 Cb 0.04 -0.60 0.01 0.00 0.21 0.00 0.00 66.02 65.68 1du3 s SER 273 CO 0.74 0.15 0.50 0.72 0.41 0.00 0.00 173.24 175.77 1du3 s PHE 274 N 0.04 0.93 -0.25 2.43 -0.12 -0.53 -1.51 117.98 118.98 1du3 s PHE 274 Ca -0.04 -1.21 -0.21 0.00 -0.05 0.00 0.00 56.93 55.42 1du3 s PHE 274 Cb -0.11 0.02 0.07 0.00 -0.63 0.00 0.00 43.02 42.36 1du3 s PHE 274 CO 0.02 -1.16 0.65 0.12 -0.05 0.00 0.00 175.22 174.80 1du3 s PHE 275 N -3.06 -0.76 0.23 3.49 5.36 -0.34 -1.86 117.98 121.03 1du3 s PHE 275 Ca 0.29 1.78 -0.21 0.00 -0.96 0.00 0.00 56.93 57.83 1du3 s PHE 275 Cb -0.01 0.30 0.06 0.00 -0.34 0.00 0.00 43.02 43.04 1du3 s PHE 275 CO 0.19 -0.37 0.93 0.20 -1.46 0.00 0.00 175.22 174.71 1du3 s GLY 276 N 0.58 0.07 -0.10 13.12 0.00 -0.79 0.35 107.32 120.54 1du3 s GLY 276 Ca -0.02 -0.31 -0.30 0.00 0.00 0.00 0.00 44.72 44.09 1du3 s GLY 276 CO -0.03 0.91 0.89 0.00 0.00 0.00 0.00 173.10 174.87 1du3 s ALA 277 N -2.64 -1.87 -0.02 3.20 0.00 -0.79 -0.95 121.76 118.70 1du3 s ALA 277 Ca 0.17 1.41 -0.18 0.00 0.00 0.00 0.00 51.96 53.36 1du3 s ALA 277 Cb -0.03 -0.33 0.03 0.00 0.00 0.00 0.00 23.12 22.79 1du3 s ALA 277 CO 0.06 -0.39 0.37 -0.59 0.00 0.00 0.00 175.76 175.21 1du3 s PHE 278 N -1.48 -0.26 0.73 0.00 -0.12 -0.70 -0.67 117.98 115.49 1du3 s PHE 278 Ca -0.03 0.41 -0.14 0.00 -0.05 0.00 0.00 56.93 57.11 1du3 s PHE 278 Cb -0.00 0.15 0.04 0.00 -0.63 0.00 0.00 43.02 42.58 1du3 s PHE 278 CO 0.02 -0.43 1.18 -1.17 -0.05 0.00 0.00 175.22 174.77 1du3 s LEU 279 N -1.32 3.28 0.05 -1.99 2.96 -0.92 -0.72 118.68 120.03 1du3 s LEU 279 Ca -0.13 2.27 -0.05 0.00 -0.22 0.00 0.00 54.13 56.00 1du3 s LEU 279 Cb -0.04 -4.58 -0.01 0.00 0.50 0.00 0.00 46.19 42.05 1du3 s LEU 279 CO 0.05 -2.22 0.09 0.68 -1.32 0.00 0.00 176.35 173.64 1du3 s VAL 280 N -2.12 0.15 0.00 1.68 -7.23 0.77 -4.73 120.40 108.93 1du3 s VAL 280 Ca 0.72 -1.27 0.00 0.00 -1.81 0.00 0.00 61.98 59.62 1du3 s VAL 280 Cb -0.27 -1.15 0.00 0.00 0.56 0.00 0.00 36.38 35.52 1du3 s VAL 280 CO 0.46 -0.70 0.00 0.61 -0.31 0.00 0.00 175.10 175.16