#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 4.57 -0.51 -1.09 3.00 -1.26 -5.00 118.95 118.66 1du3 s ARG 121 Ca 0.00 1.80 -0.05 0.00 0.00 0.00 0.00 55.73 57.49 1du3 s ARG 121 Cb 0.00 -3.24 0.13 0.00 0.00 0.00 0.00 34.95 31.85 1du3 s ARG 121 CO 0.00 0.06 0.34 0.08 0.00 0.00 0.00 175.30 175.77 1du3 s VAL 122 N -0.46 3.72 0.29 3.52 1.01 -1.26 -4.03 120.40 123.18 1du3 s VAL 122 Ca 0.49 -2.32 -0.16 0.00 0.00 0.00 0.00 61.98 59.99 1du3 s VAL 122 Cb -0.31 -3.47 0.02 0.00 0.00 0.00 0.00 36.38 32.61 1du3 s VAL 122 CO 0.38 -0.79 0.63 0.00 0.00 0.00 0.00 175.10 175.32 1du3 s ALA 123 N 0.74 -0.64 -0.29 5.51 0.00 -0.68 -2.08 121.76 124.32 1du3 s ALA 123 Ca 0.11 -0.68 -0.26 0.00 0.00 0.00 0.00 51.96 51.13 1du3 s ALA 123 Cb -0.22 0.92 0.18 0.00 0.00 0.00 0.00 23.12 23.99 1du3 s ALA 123 CO -0.03 -0.95 1.34 0.00 0.00 0.00 0.00 175.76 176.12 1du3 s ALA 124 N -3.58 -2.16 -0.07 0.00 0.00 -0.68 -0.41 121.76 114.87 1du3 s ALA 124 Ca 0.17 1.74 -0.03 0.00 0.00 0.00 0.00 51.96 53.84 1du3 s ALA 124 Cb -0.04 -1.65 0.04 0.00 0.00 0.00 0.00 23.12 21.48 1du3 s ALA 124 CO 0.10 -0.15 0.13 -1.58 0.00 0.00 0.00 175.76 174.26 1du3 s HIS 125 N -0.12 -0.11 -0.04 0.00 5.04 -0.75 -1.42 115.29 117.90 1du3 s HIS 125 Ca 0.06 0.49 0.03 0.00 -1.54 0.00 0.00 55.06 54.10 1du3 s HIS 125 Cb -0.04 -0.30 0.01 0.00 0.04 0.00 0.00 32.58 32.29 1du3 s HIS 125 CO -0.12 -0.23 -0.11 0.96 -2.34 0.00 0.00 174.74 172.90 1du3 s ILE 126 N 2.10 0.96 0.57 0.89 -4.36 0.11 -1.15 121.20 120.33 1du3 s ILE 126 Ca 0.02 -0.42 0.07 0.00 -0.26 0.00 0.00 60.65 60.06 1du3 s ILE 126 Cb -0.12 -0.87 0.07 0.00 1.25 0.00 0.00 42.46 42.79 1du3 s ILE 126 CO -0.05 0.30 0.58 0.35 0.24 0.00 0.00 174.94 176.36 1du3 n THR 127 N 3.52 0.00 -1.84 8.37 -2.24 -1.26 -1.36 114.28 119.47 1du3 n THR 127 Ca -0.21 -2.13 -0.32 0.00 -2.27 0.00 0.00 64.05 59.13 1du3 n THR 127 Cb 0.53 -0.21 0.02 0.00 -2.10 0.00 0.00 70.33 68.57 1du3 n THR 127 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1du3 s GLY 128 N -4.46 1.85 0.00 3.38 0.00 -0.69 -1.78 107.32 105.62 1du3 s GLY 128 Ca 0.44 0.17 0.00 0.00 0.00 0.00 0.00 44.72 45.33 1du3 s GLY 128 CO 0.28 0.47 0.00 -1.30 0.00 0.00 0.00 173.10 172.55 1du3 n THR 129 N -2.59 0.00 0.00 0.90 -2.24 -1.20 -3.76 114.28 105.39 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 0.53 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 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 0.00 0.00 0.00 -0.78 0.63 -1.26 -4.10 116.66 111.14 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 -0.04 0.00 0.00 0.45 0.00 0.00 32.46 32.87 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 -0.08 -1.00 3.70 5.14 0.00 -1.26 -4.95 105.19 106.73 1du3 n GLY 131 Ca 0.00 -2.24 -0.29 0.00 0.00 0.00 0.00 46.02 43.48 1du3 n GLY 131 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1du3 s ARG 132 N -0.79 0.97 -0.05 1.61 0.52 -1.26 -2.33 118.95 117.63 1du3 s ARG 132 Ca 0.00 0.77 -0.08 0.00 -0.52 0.00 0.00 55.73 55.90 1du3 s ARG 132 Cb 0.00 -1.78 -0.05 0.00 0.52 0.00 0.00 34.95 33.64 1du3 s ARG 132 CO 0.00 -2.42 0.24 -1.12 0.02 0.00 0.00 175.30 172.01 1du3 s SER 133 N -3.38 6.51 0.11 0.23 0.01 -1.26 -4.88 113.70 111.04 1du3 s SER 133 Ca 0.64 0.59 -0.13 0.00 1.31 0.00 0.00 55.95 58.36 1du3 s SER 133 Cb -0.18 -2.11 -0.08 0.00 0.21 0.00 0.00 66.02 63.85 1du3 s SER 133 CO 0.57 0.33 0.23 0.59 0.41 0.00 0.00 173.24 175.38 1du3 n ASN 134 N 1.59 -0.72 -2.86 2.44 3.02 -1.26 -5.14 115.26 112.33 1du3 n ASN 134 Ca -0.15 0.54 -0.35 0.00 -0.03 0.00 0.00 54.58 54.59 1du3 n ASN 134 Cb 0.54 -0.47 0.02 0.00 -0.61 0.00 0.00 39.78 39.26 1du3 n ASN 134 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1du3 n THR 135 N -0.06 3.45 0.00 3.41 -2.24 -1.26 -5.25 114.28 112.33 1du3 n THR 135 Ca 0.09 -4.82 0.00 0.00 -2.27 0.00 0.00 64.05 57.05 1du3 n THR 135 Cb 0.13 -1.30 0.00 0.00 -2.10 0.00 0.00 70.33 67.06 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 -0.44 -0.79 -1.80 6.98 0.00 -1.26 -5.33 120.51 117.87 1du3 n ALA 146 Ca 0.46 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.59 1du3 n ALA 146 Cb 0.39 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.63 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 -0.71 3.38 0.00 0.00 1.43 -1.26 -4.84 118.68 116.69 1du3 s LEU 147 Ca 0.00 1.54 0.00 0.00 -1.03 0.00 0.00 54.13 54.64 1du3 s LEU 147 Cb 0.00 -4.49 0.00 0.00 0.03 0.00 0.00 46.19 41.73 1du3 s LEU 147 CO 0.00 -0.88 0.00 0.61 0.23 0.00 0.00 176.35 176.31 1du3 n GLY 148 N -2.04 -0.25 2.71 -3.19 0.00 -1.26 -4.54 105.19 96.62 1du3 n GLY 148 Ca 0.07 -1.03 -0.24 0.00 0.00 0.00 0.00 46.02 44.81 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 0.38 0.63 1.61 0.52 0.27 -4.76 118.95 117.60 1du3 s ARG 149 Ca 0.00 -0.01 -0.17 0.00 -0.52 0.00 0.00 55.73 55.03 1du3 s ARG 149 Cb 0.00 -1.33 -0.08 0.00 0.52 0.00 0.00 34.95 34.06 1du3 s ARG 149 CO 0.00 -0.46 0.41 1.17 0.02 0.00 0.00 175.30 176.44 1du3 n LYS 150 N 5.18 0.37 -3.84 3.54 4.81 -1.26 -1.76 118.16 125.19 1du3 n LYS 150 Ca -0.07 0.15 -0.36 0.00 -0.87 0.00 0.00 58.31 57.17 1du3 n LYS 150 Cb 0.49 -1.64 -0.13 0.00 0.02 0.00 0.00 35.03 33.76 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 -1.82 3.66 -0.15 3.15 1.01 -0.06 -4.83 121.20 122.15 1du3 s ILE 151 Ca 0.65 -0.55 0.06 0.00 0.00 0.00 0.00 60.65 60.82 1du3 s ILE 151 Cb -0.41 -2.76 -0.08 0.00 0.01 0.00 0.00 42.46 39.22 1du3 s ILE 151 CO 0.58 0.29 0.19 -0.46 0.00 0.00 0.00 174.94 175.54 1du3 n ASN 152 N 4.83 1.86 -0.47 3.58 0.23 -1.26 -4.54 115.26 119.49 1du3 n ASN 152 Ca -0.17 -0.34 0.00 0.00 -0.53 0.00 0.00 54.58 53.55 1du3 n ASN 152 Cb 0.50 1.13 0.00 0.00 -2.08 0.00 0.00 39.78 39.33 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 -1.41 0.45 -4.64 0.53 3.41 -1.26 -4.13 113.62 106.57 1du3 n SER 153 Ca 0.00 -0.96 -0.29 0.00 -0.26 0.00 0.00 58.87 57.37 1du3 n SER 153 Cb 0.12 -0.22 0.15 0.00 -0.26 0.00 0.00 64.21 64.00 1du3 n SER 153 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1du3 s TRP 154 N -1.06 2.21 -0.28 7.33 0.52 -1.26 -3.55 118.94 122.85 1du3 s TRP 154 Ca 0.00 0.81 -0.09 0.00 0.02 0.00 0.00 56.10 56.83 1du3 s TRP 154 Cb 0.00 -3.42 -0.03 0.00 -1.15 0.00 0.00 33.47 28.87 1du3 s TRP 154 CO 0.00 -2.61 0.13 -1.83 0.02 0.00 0.00 176.95 172.66 1du3 s GLU 155 N -5.28 3.66 0.00 4.98 -1.05 -0.73 -4.85 118.70 115.43 1du3 s GLU 155 Ca 0.65 -0.50 0.23 0.00 -0.15 0.00 0.00 54.97 55.20 1du3 s GLU 155 Cb -0.14 -3.51 1.29 0.00 -0.44 0.00 0.00 34.13 31.33 1du3 s GLU 155 CO 0.54 -0.25 1.74 -1.13 0.95 0.00 0.00 175.26 177.10 1du3 n SER 156 N 4.99 0.00 -0.95 0.83 3.41 -1.26 -4.63 113.62 116.01 1du3 n SER 156 Ca -0.15 -0.49 0.00 0.00 -0.26 0.00 0.00 58.87 57.97 1du3 n SER 156 Cb 0.51 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1du3 n SER 156 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1du3 n SER 157 N -1.09 0.00 -4.42 4.04 3.41 -1.26 -4.78 113.62 109.51 1du3 n SER 157 Ca 0.15 -0.30 -0.31 0.00 -0.26 0.00 0.00 58.87 58.14 1du3 n SER 157 Cb 0.11 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.93 1du3 n SER 157 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1du3 s ARG 158 N 1.09 2.14 0.00 4.33 3.00 -1.26 -4.30 118.95 123.95 1du3 s ARG 158 Ca 0.00 -0.93 0.00 0.00 -1.00 0.00 0.00 55.73 53.80 1du3 s ARG 158 Cb 0.00 -2.18 0.00 0.00 0.00 0.00 0.00 34.95 32.77 1du3 s ARG 158 CO 0.00 0.56 0.00 -1.13 0.00 0.00 0.00 175.30 174.73 1du3 n SER 159 N 1.88 0.00 -1.70 -2.12 3.41 0.12 -4.95 113.62 110.25 1du3 n SER 159 Ca -0.16 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.48 1du3 n SER 159 Cb 0.52 0.00 0.32 0.00 -0.26 0.00 0.00 64.21 64.79 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 2.87 0.00 5.00 0.00 -1.26 -4.21 105.19 107.59 1du3 n GLY 160 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 0.40 0.00 -3.76 1.61 1.44 -1.26 -5.13 115.22 108.52 1du3 n HIS 161 Ca 0.26 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.84 1du3 n HIS 161 Cb 1.09 0.05 -0.10 0.00 0.12 0.00 0.00 29.99 31.14 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 0.00 -0.34 0.19 4.39 1.04 -1.26 -4.65 113.70 113.07 1du3 s SER 162 Ca 0.00 0.62 -0.07 0.00 0.48 0.00 0.00 55.95 56.98 1du3 s SER 162 Cb 0.00 0.66 -0.02 0.00 0.10 0.00 0.00 66.02 66.76 1du3 s SER 162 CO 0.00 -0.16 0.27 0.72 0.98 0.00 0.00 173.24 175.05 1du3 s PHE 163 N 0.00 0.60 -0.05 5.02 -0.71 -0.30 -0.70 117.98 121.85 1du3 s PHE 163 Ca -0.02 -0.94 -0.02 0.00 -1.04 0.00 0.00 56.93 54.91 1du3 s PHE 163 Cb -0.03 -0.16 0.03 0.00 -1.21 0.00 0.00 43.02 41.66 1du3 s PHE 163 CO 0.01 -0.74 0.09 -0.51 -1.34 0.00 0.00 175.22 172.72 1du3 s LEU 164 N -3.03 0.24 -0.13 -1.99 1.43 -1.26 -1.81 118.68 112.14 1du3 s LEU 164 Ca 0.24 0.15 -0.00 0.00 -1.03 0.00 0.00 54.13 53.48 1du3 s LEU 164 Cb 0.04 0.00 0.03 0.00 0.03 0.00 0.00 46.19 46.29 1du3 s LEU 164 CO 0.05 -0.23 -0.07 -0.55 0.23 0.00 0.00 176.35 175.78 1du3 s SER 165 N 2.00 2.35 -1.48 2.29 0.15 0.46 -4.77 113.70 114.70 1du3 s SER 165 Ca 0.02 -0.39 -0.12 0.00 0.70 0.00 0.00 55.95 56.16 1du3 s SER 165 Cb -0.12 -0.87 0.07 0.00 -1.71 0.00 0.00 66.02 63.39 1du3 s SER 165 CO -0.04 -0.13 0.82 0.59 1.20 0.00 0.00 173.24 175.68 1du3 n ASN 166 N 4.92 -4.81 -3.80 5.45 3.02 -1.26 -1.68 115.26 117.10 1du3 n ASN 166 Ca -0.12 -0.61 -0.05 0.00 -0.03 0.00 0.00 54.58 53.76 1du3 n ASN 166 Cb 0.49 -3.87 -0.02 0.00 -0.61 0.00 0.00 39.78 35.78 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 -7.02 -0.23 0.10 3.41 1.02 -1.26 -4.20 118.68 110.50 1du3 s LEU 167 Ca 0.56 -0.50 -0.21 0.00 0.02 0.00 0.00 54.13 53.99 1du3 s LEU 167 Cb -0.28 2.46 0.05 0.00 0.02 0.00 0.00 46.19 48.45 1du3 s LEU 167 CO 0.68 -1.13 0.52 -1.38 0.02 0.00 0.00 176.35 175.06 1du3 s HIS 168 N -3.62 -0.41 0.03 0.29 -3.43 -1.21 -4.89 115.29 102.05 1du3 s HIS 168 Ca 0.11 0.29 -0.01 0.00 -0.80 0.00 0.00 55.06 54.65 1du3 s HIS 168 Cb -0.04 0.39 -0.04 0.00 -1.43 0.00 0.00 32.58 31.46 1du3 s HIS 168 CO 0.04 -0.72 0.16 -1.17 -2.00 0.00 0.00 174.74 171.04 1du3 s LEU 169 N -2.43 4.19 -0.29 5.38 2.96 -1.26 -0.44 118.68 126.79 1du3 s LEU 169 Ca -0.01 0.23 0.02 0.00 -0.22 0.00 0.00 54.13 54.15 1du3 s LEU 169 Cb -0.00 -2.63 0.20 0.00 0.50 0.00 0.00 46.19 44.25 1du3 s LEU 169 CO -0.08 0.22 0.65 -0.60 -1.32 0.00 0.00 176.35 175.23 1du3 s ARG 170 N -2.14 0.51 -0.10 1.98 3.52 -0.84 -4.89 118.95 117.00 1du3 s ARG 170 Ca 0.29 0.62 0.00 0.00 -0.13 0.00 0.00 55.73 56.51 1du3 s ARG 170 Cb -0.13 0.31 0.00 0.00 -1.56 0.00 0.00 34.95 33.57 1du3 s ARG 170 CO 0.21 -0.84 0.00 0.09 -0.81 0.00 0.00 175.30 173.95 1du3 n ASN 171 N 5.40 -3.50 0.00 -2.12 4.13 -1.26 -2.75 115.26 115.16 1du3 n ASN 171 Ca 0.03 0.02 0.00 0.00 1.68 0.00 0.00 54.58 56.32 1du3 n ASN 171 Cb 0.54 -1.08 0.00 0.00 -1.54 0.00 0.00 39.78 37.69 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 -2.37 0.84 3.06 7.41 0.00 -1.26 -4.43 105.19 108.45 1du3 n GLY 172 Ca -0.01 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.55 2.25 0.12 1.61 2.02 -1.11 -4.45 118.70 118.59 1du3 s GLU 173 Ca 0.00 -0.57 -0.30 0.00 0.02 0.00 0.00 54.97 54.12 1du3 s GLU 173 Cb 0.00 -1.91 -0.06 0.00 0.10 0.00 0.00 34.13 32.25 1du3 s GLU 173 CO 0.00 -0.06 1.13 -0.51 0.02 0.00 0.00 175.26 175.83 1du3 s LEU 174 N 0.99 4.43 -0.29 1.80 1.43 -0.56 -1.98 118.68 124.50 1du3 s LEU 174 Ca -0.06 2.02 -0.05 0.00 -1.03 0.00 0.00 54.13 55.01 1du3 s LEU 174 Cb -0.15 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.50 1du3 s LEU 174 CO -0.02 -0.32 0.04 -0.69 0.23 0.00 0.00 176.35 175.59 1du3 s VAL 175 N 0.37 3.55 0.02 -1.59 1.01 0.42 -1.76 120.40 122.43 1du3 s VAL 175 Ca 0.53 -0.89 -0.30 0.00 0.00 0.00 0.00 61.98 61.32 1du3 s VAL 175 Cb -0.29 -2.86 -0.06 0.00 0.00 0.00 0.00 36.38 33.17 1du3 s VAL 175 CO 0.32 0.07 1.47 -0.63 0.00 0.00 0.00 175.10 176.33 1du3 s ILE 176 N 1.42 3.51 -0.22 2.22 -1.09 -0.81 -3.29 121.20 122.95 1du3 s ILE 176 Ca 0.01 0.93 -0.17 0.00 -2.23 0.00 0.00 60.65 59.18 1du3 s ILE 176 Cb -0.17 -3.60 -0.14 0.00 -1.58 0.00 0.00 42.46 36.97 1du3 s ILE 176 CO 0.00 0.00 -0.05 1.41 -1.23 0.00 0.00 174.94 175.07 1du3 n HIS 177 N 5.35 0.64 -3.94 3.97 8.25 -1.26 -0.07 115.22 128.16 1du3 n HIS 177 Ca 0.14 0.28 -0.30 0.00 -0.26 0.00 0.00 57.72 57.57 1du3 n HIS 177 Cb 0.43 -0.97 -0.04 0.00 1.12 0.00 0.00 29.99 30.52 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 -2.43 3.37 0.00 -0.41 2.02 -1.26 -4.55 118.70 115.44 1du3 s GLU 178 Ca -0.29 -0.49 -0.10 0.00 0.02 0.00 0.00 54.97 54.10 1du3 s GLU 178 Cb 0.08 -2.99 -0.05 0.00 0.10 0.00 0.00 34.13 31.26 1du3 s GLU 178 CO 0.49 0.59 0.33 -1.59 0.02 0.00 0.00 175.26 175.10 1du3 s LYS 179 N -2.58 3.71 0.00 1.61 -2.85 -1.26 -4.55 119.74 113.83 1du3 s LYS 179 Ca 0.34 0.14 0.00 0.00 -1.00 0.00 0.00 55.97 55.45 1du3 s LYS 179 Cb -0.13 -3.12 0.00 0.00 -2.06 0.00 0.00 37.83 32.52 1du3 s LYS 179 CO 0.27 0.66 0.00 0.41 0.10 0.00 0.00 175.35 176.80 1du3 n GLY 180 N 1.44 -1.23 3.80 0.59 0.00 -0.43 -4.99 105.19 104.38 1du3 n GLY 180 Ca -0.13 -1.04 -0.37 0.00 0.00 0.00 0.00 46.02 44.48 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 -3.00 3.74 -0.05 1.61 0.08 -1.26 -0.58 117.98 118.52 1du3 s PHE 181 Ca 0.00 1.45 0.01 0.00 0.12 0.00 0.00 56.93 58.51 1du3 s PHE 181 Cb 0.00 -2.65 0.02 0.00 -0.57 0.00 0.00 43.02 39.82 1du3 s PHE 181 CO 0.00 0.41 -0.03 0.71 -0.10 0.00 0.00 175.22 176.21 1du3 s TYR 182 N -1.38 0.67 -0.17 0.36 1.51 0.46 -2.75 117.35 116.06 1du3 s TYR 182 Ca 0.40 -0.17 -0.25 0.00 -1.01 0.00 0.00 57.07 56.03 1du3 s TYR 182 Cb -0.19 -0.65 -0.01 0.00 -0.11 0.00 0.00 41.96 41.00 1du3 s TYR 182 CO 0.22 -0.21 0.84 -0.47 -1.11 0.00 0.00 175.55 174.82 1du3 s TYR 183 N 1.11 3.42 -0.14 2.71 5.04 -0.45 -0.96 117.35 128.08 1du3 s TYR 183 Ca -0.08 1.27 0.01 0.00 -2.44 0.00 0.00 57.07 55.83 1du3 s TYR 183 Cb -0.14 -3.02 0.02 0.00 0.35 0.00 0.00 41.96 39.17 1du3 s TYR 183 CO -0.01 -0.24 -0.18 0.42 -1.34 0.00 0.00 175.55 174.20 1du3 s ILE 184 N 2.15 1.76 0.28 3.14 1.01 0.07 -1.37 121.20 128.23 1du3 s ILE 184 Ca 0.39 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 60.29 1du3 s ILE 184 Cb -0.17 -1.60 -0.06 0.00 0.01 0.00 0.00 42.46 40.65 1du3 s ILE 184 CO 0.12 0.49 0.05 -0.72 0.00 0.00 0.00 174.94 174.88 1du3 s TYR 185 N 1.13 1.72 -0.25 3.97 1.13 -0.54 -1.82 117.35 122.68 1du3 s TYR 185 Ca -0.02 -1.01 -0.26 0.00 -1.41 0.00 0.00 57.07 54.37 1du3 s TYR 185 Cb -0.14 -1.05 0.12 0.00 -1.10 0.00 0.00 41.96 39.79 1du3 s TYR 185 CO -0.06 -0.10 1.02 0.45 -2.51 0.00 0.00 175.55 174.35 1du3 s SER 186 N -3.38 -0.43 -0.03 -0.18 0.15 -0.89 -1.63 113.70 107.30 1du3 s SER 186 Ca 0.34 0.75 0.06 0.00 0.70 0.00 0.00 55.95 57.80 1du3 s SER 186 Cb 0.07 0.73 -0.01 0.00 -1.71 0.00 0.00 66.02 65.10 1du3 s SER 186 CO 0.13 -0.20 -0.22 -1.58 1.20 0.00 0.00 173.24 172.56 1du3 s GLN 187 N -0.12 2.02 -0.07 5.44 0.74 -0.47 -2.32 119.66 124.88 1du3 s GLN 187 Ca 0.02 -0.79 0.01 0.00 0.05 0.00 0.00 55.36 54.64 1du3 s GLN 187 Cb -0.04 -1.83 0.02 0.00 1.10 0.00 0.00 33.01 32.26 1du3 s GLN 187 CO -0.04 0.40 -0.07 0.95 -0.55 0.00 0.00 175.29 175.98 1du3 s THR 188 N -0.30 0.84 -0.39 -0.34 -4.23 0.31 -1.33 115.64 110.20 1du3 s THR 188 Ca 0.03 -0.25 -0.17 0.00 -1.18 0.00 0.00 61.69 60.12 1du3 s THR 188 Cb -0.11 -0.84 0.01 0.00 1.34 0.00 0.00 72.50 72.90 1du3 s THR 188 CO 0.01 0.31 0.41 -0.47 -0.54 0.00 0.00 174.62 174.34 1du3 s TYR 189 N 1.19 3.19 -0.37 3.99 5.04 -1.26 -0.30 117.35 128.83 1du3 s TYR 189 Ca -0.06 -0.22 -0.14 0.00 -2.44 0.00 0.00 57.07 54.22 1du3 s TYR 189 Cb -0.14 -2.81 -0.00 0.00 0.35 0.00 0.00 41.96 39.36 1du3 s TYR 189 CO -0.02 -0.59 0.29 -0.06 -1.34 0.00 0.00 175.55 173.83 1du3 s PHE 190 N 2.10 3.23 -0.03 4.97 0.08 -0.85 -0.23 117.98 127.25 1du3 s PHE 190 Ca 0.12 -0.30 0.03 0.00 0.12 0.00 0.00 56.93 56.90 1du3 s PHE 190 Cb -0.17 -2.57 0.00 0.00 -0.57 0.00 0.00 43.02 39.72 1du3 s PHE 190 CO 0.13 -0.46 -0.10 0.50 -0.10 0.00 0.00 175.22 175.19 1du3 s ARG 191 N 1.78 1.08 0.11 0.44 3.52 0.23 -0.67 118.95 125.43 1du3 s ARG 191 Ca 0.07 -0.33 -0.20 0.00 -0.13 0.00 0.00 55.73 55.14 1du3 s ARG 191 Cb -0.18 -0.99 0.05 0.00 -1.56 0.00 0.00 34.95 32.28 1du3 s ARG 191 CO 0.11 0.11 0.50 -0.59 -0.81 0.00 0.00 175.30 174.62 1du3 s PHE 192 N 0.24 -0.38 -0.71 5.12 -0.12 -0.64 -4.64 117.98 116.85 1du3 s PHE 192 Ca -0.04 0.23 0.01 0.00 -0.05 0.00 0.00 56.93 57.08 1du3 s PHE 192 Cb -0.10 0.37 0.18 0.00 -0.63 0.00 0.00 43.02 42.85 1du3 s PHE 192 CO 0.01 -0.72 0.52 -0.65 -0.05 0.00 0.00 175.22 174.33 1du3 s GLN 193 N -3.28 2.66 0.45 1.99 1.11 -1.26 -1.40 119.66 119.93 1du3 s GLN 193 Ca -0.01 -2.98 -0.20 0.00 0.01 0.00 0.00 55.36 52.18 1du3 s GLN 193 Cb 0.00 -3.65 -0.14 0.00 -1.01 0.00 0.00 33.01 28.21 1du3 s GLN 193 CO -0.08 -1.22 0.21 -1.91 0.01 0.00 0.00 175.29 172.30 1du3 n GLU 194 N 2.69 0.20 -4.15 2.91 2.13 -0.71 -4.95 120.64 118.77 1du3 n GLU 194 Ca 0.14 0.08 -0.25 0.00 0.66 0.00 0.00 57.16 57.79 1du3 n GLU 194 Cb 0.36 -1.21 -0.07 0.00 0.27 0.00 0.00 31.44 30.78 1du3 n GLU 194 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 1du3 s GLU 195 N -1.28 2.22 -0.04 5.31 -1.05 -1.26 -4.86 118.70 117.74 1du3 s GLU 195 Ca 0.61 -1.86 0.06 0.00 -0.15 0.00 0.00 54.97 53.63 1du3 s GLU 195 Cb -0.58 -1.97 0.25 0.00 -0.44 0.00 0.00 34.13 31.39 1du3 s GLU 195 CO 0.61 -0.12 1.06 -0.89 0.95 0.00 0.00 175.26 176.87 1du3 n ILE 196 N -1.24 0.63 0.00 1.83 2.08 -1.26 -5.03 119.36 116.38 1du3 n ILE 196 Ca -0.01 -0.41 0.00 0.00 0.56 0.00 0.00 62.75 62.89 1du3 n ILE 196 Cb 0.65 -0.12 0.00 0.00 -0.75 0.00 0.00 39.64 39.42 1du3 n ILE 196 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1du3 n LYS 197 N 0.23 0.00 0.00 0.38 5.02 -1.26 -5.06 118.16 117.47 1du3 n LYS 197 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 1du3 n LYS 197 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.40 1du3 n LYS 197 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1du3 n GLU 198 N 0.00 0.00 -0.51 1.97 4.07 -1.26 -4.75 120.64 120.16 1du3 n GLU 198 Ca 0.00 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 57.09 1du3 n GLU 198 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1du3 n GLU 198 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1du3 n ASN 199 N -0.99 5.34 -3.65 4.31 5.15 -1.26 -4.87 115.26 119.29 1du3 n ASN 199 Ca 0.00 -2.44 -0.10 0.00 -0.60 0.00 0.00 54.58 51.45 1du3 n ASN 199 Cb 0.00 -1.11 -0.02 0.00 -0.53 0.00 0.00 39.78 38.12 1du3 n ASN 199 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1du3 s THR 200 N -0.13 0.01 0.26 -0.44 2.01 -1.26 -5.15 115.64 110.93 1du3 s THR 200 Ca 0.02 -0.54 -0.24 0.00 0.31 0.00 0.00 61.69 61.23 1du3 s THR 200 Cb 0.01 -1.50 -0.09 0.00 0.01 0.00 0.00 72.50 70.93 1du3 s THR 200 CO -0.00 -0.02 0.85 -0.54 -0.69 0.00 0.00 174.62 174.21 1du3 s LYS 201 N -3.84 4.50 -0.01 4.92 1.02 -1.26 -4.92 119.74 120.15 1du3 s LYS 201 Ca 0.07 1.17 0.21 0.00 0.02 0.00 0.00 55.97 57.43 1du3 s LYS 201 Cb -0.03 -2.93 -0.26 0.00 -0.52 0.00 0.00 37.83 34.10 1du3 s LYS 201 CO -0.03 0.38 0.78 -1.71 -0.92 0.00 0.00 175.35 173.85 1du3 n ASN 202 N 0.83 0.75 -4.72 2.83 5.15 -1.26 -4.98 115.26 113.86 1du3 n ASN 202 Ca -0.01 -0.74 -0.43 0.00 -0.60 0.00 0.00 54.58 52.81 1du3 n ASN 202 Cb 0.50 1.25 -0.01 0.00 -0.53 0.00 0.00 39.78 40.99 1du3 n ASN 202 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 1du3 n ASP 203 N -1.69 3.17 -4.34 1.20 5.75 -1.26 -4.99 116.55 114.39 1du3 n ASP 203 Ca 0.02 1.18 -0.32 0.00 -0.01 0.00 0.00 54.79 55.66 1du3 n ASP 203 Cb 0.39 -1.52 -0.15 0.00 -1.03 0.00 0.00 41.12 38.81 1du3 n ASP 203 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1du3 s LYS 204 N -1.28 2.45 -0.60 0.11 1.02 -1.26 -4.99 119.74 115.20 1du3 s LYS 204 Ca 0.60 -0.85 0.02 0.00 0.02 0.00 0.00 55.97 55.77 1du3 s LYS 204 Cb -0.56 -2.21 0.15 0.00 -0.52 0.00 0.00 37.83 34.70 1du3 s LYS 204 CO 0.57 0.49 0.37 -0.65 -0.92 0.00 0.00 175.35 175.20 1du3 s GLN 205 N -0.41 2.26 -0.24 1.68 -0.21 -1.26 -1.80 119.66 119.68 1du3 s GLN 205 Ca 0.04 -2.78 -0.29 0.00 0.02 0.00 0.00 55.36 52.35 1du3 s GLN 205 Cb -0.12 -3.46 0.01 0.00 1.00 0.00 0.00 33.01 30.44 1du3 s GLN 205 CO 0.02 -1.16 1.11 -1.64 -2.12 0.00 0.00 175.29 171.49 1du3 s MET 206 N -0.52 4.19 0.03 2.91 -1.94 -0.29 -4.80 119.30 118.88 1du3 s MET 206 Ca 0.19 1.35 0.02 0.00 -1.71 0.00 0.00 55.69 55.53 1du3 s MET 206 Cb -0.20 -3.70 -0.02 0.00 2.01 0.00 0.00 34.83 32.92 1du3 s MET 206 CO -0.04 -0.74 -0.06 0.08 -0.01 0.00 0.00 175.02 174.25 1du3 s VAL 207 N 3.43 0.42 -0.07 -6.03 1.01 -1.26 -0.36 120.40 117.54 1du3 s VAL 207 Ca 0.47 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.52 1du3 s VAL 207 Cb -0.16 -0.50 0.01 0.00 0.00 0.00 0.00 36.38 35.73 1du3 s VAL 207 CO 0.11 -0.37 -0.15 -1.58 0.00 0.00 0.00 175.10 173.11 1du3 s GLN 208 N -1.42 1.94 0.16 2.72 0.74 -0.18 -2.68 119.66 120.95 1du3 s GLN 208 Ca -0.10 -0.51 0.09 0.00 0.05 0.00 0.00 55.36 54.89 1du3 s GLN 208 Cb -0.09 -1.57 -0.04 0.00 1.10 0.00 0.00 33.01 32.41 1du3 s GLN 208 CO 0.00 0.07 -0.11 0.71 -0.55 0.00 0.00 175.29 175.41 1du3 s TYR 209 N 0.56 2.63 -0.29 1.67 2.02 -0.06 -1.27 117.35 122.62 1du3 s TYR 209 Ca -0.15 -0.22 -0.02 0.00 -0.37 0.00 0.00 57.07 56.31 1du3 s TYR 209 Cb -0.16 -1.31 0.10 0.00 -0.40 0.00 0.00 41.96 40.19 1du3 s TYR 209 CO 0.05 0.49 0.11 0.42 -1.57 0.00 0.00 175.55 175.04 1du3 s ILE 210 N -1.58 0.39 0.53 2.71 1.01 -0.88 -1.91 121.20 121.47 1du3 s ILE 210 Ca 0.24 -1.04 0.03 0.00 0.00 0.00 0.00 60.65 59.87 1du3 s ILE 210 Cb -0.09 -1.30 0.04 0.00 0.01 0.00 0.00 42.46 41.12 1du3 s ILE 210 CO 0.14 -0.68 0.74 -0.31 0.00 0.00 0.00 174.94 174.84 1du3 s TYR 211 N 1.87 2.71 0.01 3.97 2.02 -0.49 -0.12 117.35 127.31 1du3 s TYR 211 Ca 0.09 -0.15 -0.01 0.00 -0.37 0.00 0.00 57.07 56.63 1du3 s TYR 211 Cb -0.17 -2.66 -0.01 0.00 -0.40 0.00 0.00 41.96 38.72 1du3 s TYR 211 CO -0.30 -0.84 0.01 -1.59 -1.57 0.00 0.00 175.55 171.26 1du3 s LYS 212 N -4.69 0.22 -0.12 -0.62 -2.85 -0.25 -1.61 119.74 109.82 1du3 s LYS 212 Ca 0.58 -0.36 0.01 0.00 -1.00 0.00 0.00 55.97 55.20 1du3 s LYS 212 Cb -0.10 0.08 -0.01 0.00 -2.06 0.00 0.00 37.83 35.74 1du3 s LYS 212 CO 0.38 -0.04 -0.16 0.71 0.10 0.00 0.00 175.35 176.34 1du3 s TYR 213 N -0.92 2.75 0.00 1.78 2.02 0.25 -1.34 117.35 121.89 1du3 s TYR 213 Ca -0.10 -0.73 0.00 0.00 -0.37 0.00 0.00 57.07 55.87 1du3 s TYR 213 Cb -0.06 -1.81 0.00 0.00 -0.40 0.00 0.00 41.96 39.69 1du3 s TYR 213 CO -0.00 -0.25 0.00 -2.37 -1.57 0.00 0.00 175.55 171.35 1du3 n THR 214 N 3.50 0.00 -0.89 -0.71 5.66 -1.26 0.09 114.28 120.66 1du3 n THR 214 Ca -0.18 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.46 1du3 n THR 214 Cb 0.53 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.26 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 -1.80 2.75 -3.53 1.09 3.41 -1.26 -4.64 113.62 109.63 1du3 n SER 215 Ca 0.00 -2.52 -0.01 0.00 -0.26 0.00 0.00 58.87 56.08 1du3 n SER 215 Cb 0.00 -0.99 -0.05 0.00 -0.26 0.00 0.00 64.21 62.90 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 4.85 -0.70 0.11 7.33 5.04 -1.26 -5.09 117.35 127.62 1du3 s TYR 216 Ca 0.50 1.28 -0.13 0.00 -2.44 0.00 0.00 57.07 56.29 1du3 s TYR 216 Cb 0.12 0.42 0.05 0.00 0.35 0.00 0.00 41.96 42.90 1du3 s TYR 216 CO 0.10 -0.35 0.85 -2.30 -1.34 0.00 0.00 175.55 172.51 1du3 n PRO 217 N 4.43 -0.18 -2.84 4.97 -0.02 -1.26 -4.67 135.00 135.42 1du3 n PRO 217 Ca -0.14 0.83 -0.26 0.00 -2.02 0.00 0.00 63.50 61.92 1du3 n PRO 217 Cb 0.55 -1.23 0.00 0.00 -0.02 0.00 0.00 33.50 32.80 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 -5.23 6.08 0.38 2.55 1.01 -1.26 -5.05 116.67 115.15 1du3 s ASP 218 Ca -0.07 0.65 -0.22 0.00 0.71 0.00 0.00 52.55 53.62 1du3 s ASP 218 Cb 0.09 -1.97 -0.10 0.00 1.01 0.00 0.00 42.92 41.94 1du3 s ASP 218 CO 0.37 -0.61 0.92 -2.16 0.21 0.00 0.00 175.17 173.90 1du3 s PRO 219 N -4.65 4.32 -0.14 8.23 0.04 -1.26 -4.72 135.00 136.83 1du3 s PRO 219 Ca 0.47 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.65 1du3 s PRO 219 Cb -0.10 -2.42 0.02 0.00 0.04 0.00 0.00 34.50 32.05 1du3 s PRO 219 CO 0.41 0.09 -0.13 0.42 0.04 0.00 0.00 177.00 177.84 1du3 s ILE 220 N -1.97 1.49 0.35 0.56 1.01 -0.45 -4.81 121.20 117.38 1du3 s ILE 220 Ca 0.57 -0.58 -0.29 0.00 0.00 0.00 0.00 60.65 60.35 1du3 s ILE 220 Cb -0.12 -1.41 -0.11 0.00 0.01 0.00 0.00 42.46 40.83 1du3 s ILE 220 CO 0.17 0.45 1.49 -0.22 0.00 0.00 0.00 174.94 176.82 1du3 s LEU 221 N 1.51 4.34 -0.15 2.97 2.96 -1.26 -1.09 118.68 127.96 1du3 s LEU 221 Ca 0.05 2.98 -0.12 0.00 -0.22 0.00 0.00 54.13 56.81 1du3 s LEU 221 Cb -0.13 -3.66 -0.06 0.00 0.50 0.00 0.00 46.19 42.84 1du3 s LEU 221 CO -0.10 -0.84 -0.26 0.18 -1.32 0.00 0.00 176.35 174.01 1du3 n LEU 222 N 0.91 1.61 -4.31 -0.68 4.77 0.82 -4.89 117.00 115.25 1du3 n LEU 222 Ca 0.02 0.27 -0.17 0.00 -0.03 0.00 0.00 56.01 56.11 1du3 n LEU 222 Cb 0.39 -0.63 -0.10 0.00 -2.33 0.00 0.00 43.42 40.76 1du3 n LEU 222 CO 0.63 -0.03 -0.22 -0.04 -1.33 0.00 0.00 177.39 176.40 1du3 s MET 223 N -2.55 1.47 -0.22 3.23 -1.94 -1.16 -4.99 119.30 113.15 1du3 s MET 223 Ca -0.25 -1.82 -0.27 0.00 -1.71 0.00 0.00 55.69 51.64 1du3 s MET 223 Cb 0.07 -0.10 0.10 0.00 2.01 0.00 0.00 34.83 36.91 1du3 s MET 223 CO 0.34 -0.39 0.89 -1.59 -0.01 0.00 0.00 175.02 174.27 1du3 s LYS 224 N -3.94 0.69 -0.01 2.03 -2.85 -1.26 -2.07 119.74 112.33 1du3 s LYS 224 Ca 0.37 0.55 -0.01 0.00 -1.00 0.00 0.00 55.97 55.88 1du3 s LYS 224 Cb 0.06 0.33 0.01 0.00 -2.06 0.00 0.00 37.83 36.18 1du3 s LYS 224 CO 0.15 -0.14 0.03 0.45 0.10 0.00 0.00 175.35 175.95 1du3 s SER 225 N -0.24 -0.01 0.24 0.03 0.15 -0.39 -4.96 113.70 108.52 1du3 s SER 225 Ca -0.01 0.06 0.05 0.00 0.70 0.00 0.00 55.95 56.75 1du3 s SER 225 Cb -0.03 0.04 -0.05 0.00 -1.71 0.00 0.00 66.02 64.26 1du3 s SER 225 CO -0.00 -0.04 -0.03 0.00 1.20 0.00 0.00 173.24 174.37 1du3 s ALA 226 N 0.29 1.97 0.09 5.45 0.00 -1.26 -1.01 121.76 127.30 1du3 s ALA 226 Ca -0.02 -1.79 -0.16 0.00 0.00 0.00 0.00 51.96 49.99 1du3 s ALA 226 Cb -0.03 0.35 0.03 0.00 0.00 0.00 0.00 23.12 23.47 1du3 s ALA 226 CO -0.01 -0.18 0.37 1.03 0.00 0.00 0.00 175.76 176.98 1du3 s ARG 227 N -3.81 0.99 -0.07 0.00 1.81 0.51 -4.98 118.95 113.40 1du3 s ARG 227 Ca 0.28 -0.64 0.04 0.00 -1.72 0.00 0.00 55.73 53.69 1du3 s ARG 227 Cb 0.05 0.43 0.00 0.00 -0.45 0.00 0.00 34.95 34.98 1du3 s ARG 227 CO 0.09 -0.36 -0.18 0.54 -0.68 0.00 0.00 175.30 174.71 1du3 s ASN 228 N -2.56 2.38 0.70 0.23 2.20 -1.26 -1.14 114.94 115.50 1du3 s ASN 228 Ca 0.01 -0.41 -0.16 0.00 -0.94 0.00 0.00 52.86 51.35 1du3 s ASN 228 Cb 0.01 -0.94 0.00 0.00 -2.00 0.00 0.00 41.25 38.33 1du3 s ASN 228 CO -0.09 0.12 1.00 -1.54 -2.94 0.00 0.00 177.10 173.66 1du3 n SER 229 N 3.46 0.67 -4.63 3.54 3.41 -0.74 -4.88 113.62 114.44 1du3 n SER 229 Ca -0.20 0.69 -0.38 0.00 -0.26 0.00 0.00 58.87 58.72 1du3 n SER 229 Cb 0.52 -1.42 0.05 0.00 -0.26 0.00 0.00 64.21 63.10 1du3 n SER 229 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1du3 n TRP 231 N -1.53 0.13 -1.66 0.00 7.02 -1.26 -4.94 117.44 115.20 1du3 n TRP 231 Ca 0.13 0.04 -0.43 0.00 -1.02 0.00 0.00 57.50 56.22 1du3 n TRP 231 Cb 0.46 -0.31 -0.01 0.00 -2.42 0.00 0.00 31.31 29.03 1du3 n TRP 231 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1du3 n SER 232 N -1.69 2.25 0.06 -0.99 2.88 -1.26 -4.86 113.62 110.01 1du3 n SER 232 Ca 0.04 1.19 0.12 0.00 -1.33 0.00 0.00 58.87 58.89 1du3 n SER 232 Cb 0.37 -1.42 0.47 0.00 -0.75 0.00 0.00 64.21 62.88 1du3 n SER 232 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1du3 n LYS 233 N 0.57 0.11 -0.49 -1.46 2.85 -1.26 -2.81 118.16 115.67 1du3 n LYS 233 Ca 0.06 0.19 0.10 0.00 -1.05 0.00 0.00 58.31 57.62 1du3 n LYS 233 Cb 0.35 -1.66 0.33 0.00 -0.65 0.00 0.00 35.03 33.40 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 -1.87 4.23 -4.56 -5.58 8.00 -1.26 -4.90 116.55 110.60 1du3 n ASP 234 Ca 0.05 -2.24 -0.39 0.00 0.71 0.00 0.00 54.79 52.91 1du3 n ASP 234 Cb 0.31 -0.53 -0.03 0.00 -0.02 0.00 0.00 41.12 40.86 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 -1.51 2.33 0.24 2.24 0.00 -1.12 -4.82 121.76 119.11 1du3 s ALA 235 Ca 0.48 -0.40 0.04 0.00 0.00 0.00 0.00 51.96 52.08 1du3 s ALA 235 Cb 0.28 -4.23 0.25 0.00 0.00 0.00 0.00 23.12 19.43 1du3 s ALA 235 CO 0.27 -3.59 1.57 0.93 0.00 0.00 0.00 175.76 174.93 1du3 h GLU 236 N 14.58 0.28 0.00 0.00 5.08 -1.90 -3.43 114.58 129.19 1du3 h GLU 236 Ca -0.28 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 57.84 1du3 h GLU 236 Cb 1.17 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 1du3 h GLU 236 CO 1.17 0.78 0.20 2.48 -1.00 0.00 0.00 179.01 182.64 1du3 n TYR 237 N -3.90 -2.14 -3.75 4.33 0.18 -1.26 -1.73 117.16 108.88 1du3 n TYR 237 Ca -0.02 -1.78 -0.12 0.00 1.88 0.00 0.00 57.90 57.85 1du3 n TYR 237 Cb 0.60 0.81 -0.13 0.00 -0.38 0.00 0.00 39.34 40.24 1du3 n TYR 237 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 1du3 s GLY 238 N -2.92 -0.16 -0.14 -7.48 0.00 -0.49 -4.87 107.32 91.26 1du3 s GLY 238 Ca 0.16 0.89 -0.00 0.00 0.00 0.00 0.00 44.72 45.77 1du3 s GLY 238 CO 0.12 1.02 -0.08 1.08 0.00 0.00 0.00 173.10 175.24 1du3 s LEU 239 N 0.85 1.46 -0.40 0.66 1.43 -1.26 -1.62 118.68 119.80 1du3 s LEU 239 Ca -0.06 -0.48 0.03 0.00 -1.03 0.00 0.00 54.13 52.60 1du3 s LEU 239 Cb -0.07 -0.94 0.16 0.00 0.03 0.00 0.00 46.19 45.37 1du3 s LEU 239 CO -0.05 -0.13 0.34 -0.31 0.23 0.00 0.00 176.35 176.43 1du3 s TYR 240 N 1.63 0.64 0.30 0.29 1.51 0.15 -5.00 117.35 116.87 1du3 s TYR 240 Ca 0.03 -1.87 -0.29 0.00 -1.01 0.00 0.00 57.07 53.94 1du3 s TYR 240 Cb -0.14 -0.76 -0.09 0.00 -0.11 0.00 0.00 41.96 40.86 1du3 s TYR 240 CO -0.09 -0.88 1.08 -1.12 -1.11 0.00 0.00 175.55 173.44 1du3 s SER 241 N 0.50 7.20 -0.13 2.29 0.01 -1.26 -2.00 113.70 120.31 1du3 s SER 241 Ca 0.28 2.21 -0.00 0.00 1.31 0.00 0.00 55.95 59.75 1du3 s SER 241 Cb -0.05 -2.62 0.03 0.00 0.21 0.00 0.00 66.02 63.59 1du3 s SER 241 CO -0.12 -0.19 -0.07 -0.63 0.41 0.00 0.00 173.24 172.64 1du3 s ILE 242 N -1.25 1.06 0.09 1.44 1.01 0.59 -4.94 121.20 119.20 1du3 s ILE 242 Ca 0.47 -0.40 0.09 0.00 0.00 0.00 0.00 60.65 60.80 1du3 s ILE 242 Cb -0.30 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.00 1du3 s ILE 242 CO 0.38 0.29 -0.20 -0.47 0.00 0.00 0.00 174.94 174.95 1du3 s TYR 243 N 1.68 2.50 0.13 3.97 6.14 -1.26 -0.53 117.35 129.99 1du3 s TYR 243 Ca 0.04 -0.29 -0.24 0.00 0.64 0.00 0.00 57.07 57.22 1du3 s TYR 243 Cb -0.13 -1.37 0.07 0.00 0.42 0.00 0.00 41.96 40.95 1du3 s TYR 243 CO -0.08 0.33 0.60 -1.14 0.64 0.00 0.00 175.55 175.90 1du3 s GLN 244 N -1.87 1.25 0.00 4.97 0.74 -0.98 -5.00 119.66 118.77 1du3 s GLN 244 Ca 0.16 -0.39 -0.29 0.00 0.05 0.00 0.00 55.36 54.89 1du3 s GLN 244 Cb -0.10 0.57 0.10 0.00 1.10 0.00 0.00 33.01 34.68 1du3 s GLN 244 CO 0.08 -0.53 0.98 0.20 -0.55 0.00 0.00 175.29 175.47 1du3 s GLY 245 N -2.56 -0.38 -0.26 2.59 0.00 -1.26 -2.10 107.32 103.35 1du3 s GLY 245 Ca -0.00 0.87 -0.36 0.00 0.00 0.00 0.00 44.72 45.22 1du3 s GLY 245 CO -0.10 0.27 1.33 -0.32 0.00 0.00 0.00 173.10 174.27 1du3 s GLY 246 N -2.58 -0.19 0.08 0.20 0.00 -0.76 -4.95 107.32 99.12 1du3 s GLY 246 Ca 0.08 1.94 -0.10 0.00 0.00 0.00 0.00 44.72 46.64 1du3 s GLY 246 CO -0.05 0.67 0.41 -0.42 0.00 0.00 0.00 173.10 173.70 1du3 s ILE 247 N -2.01 5.08 -0.10 0.90 1.01 -1.26 -0.75 121.20 124.08 1du3 s ILE 247 Ca 0.11 0.50 -0.12 0.00 0.00 0.00 0.00 60.65 61.13 1du3 s ILE 247 Cb -0.01 -3.65 0.03 0.00 0.01 0.00 0.00 42.46 38.84 1du3 s ILE 247 CO -0.04 0.31 0.32 -0.36 0.00 0.00 0.00 174.94 175.18 1du3 s PHE 248 N -1.38 -0.32 0.12 3.97 0.40 -0.13 -4.88 117.98 115.77 1du3 s PHE 248 Ca 0.32 0.73 -0.30 0.00 -0.60 0.00 0.00 56.93 57.08 1du3 s PHE 248 Cb -0.14 0.12 -0.06 0.00 0.51 0.00 0.00 43.02 43.44 1du3 s PHE 248 CO 0.18 -0.23 1.10 -2.00 0.70 0.00 0.00 175.22 174.97 1du3 s GLU 249 N -0.19 4.55 0.02 0.44 2.12 -1.26 -0.40 118.70 123.99 1du3 s GLU 249 Ca -0.03 1.68 0.01 0.00 0.36 0.00 0.00 54.97 56.99 1du3 s GLU 249 Cb -0.03 -3.32 -0.02 0.00 0.26 0.00 0.00 34.13 31.02 1du3 s GLU 249 CO 0.01 -0.02 -0.05 -0.51 -0.54 0.00 0.00 175.26 174.16 1du3 s LEU 250 N 0.17 2.18 0.31 2.70 1.43 0.26 -4.95 118.68 120.78 1du3 s LEU 250 Ca 0.52 -0.39 0.09 0.00 -1.03 0.00 0.00 54.13 53.32 1du3 s LEU 250 Cb -0.28 -0.10 -0.05 0.00 0.03 0.00 0.00 46.19 45.79 1du3 s LEU 250 CO 0.32 -0.16 0.04 -1.59 0.23 0.00 0.00 176.35 175.20 1du3 s LYS 251 N -1.10 2.23 -0.07 1.70 -2.85 -1.26 -1.32 119.74 117.08 1du3 s LYS 251 Ca -0.08 -1.57 -0.39 0.00 -1.00 0.00 0.00 55.97 52.93 1du3 s LYS 251 Cb -0.07 -2.08 -0.17 0.00 -2.06 0.00 0.00 37.83 33.44 1du3 s LYS 251 CO -0.00 0.21 1.43 -1.91 0.10 0.00 0.00 175.35 175.18 1du3 n GLU 252 N -0.99 0.92 -0.79 1.78 2.13 -1.26 -0.55 120.64 121.88 1du3 n GLU 252 Ca -0.05 0.33 0.00 0.00 0.66 0.00 0.00 57.16 58.11 1du3 n GLU 252 Cb 0.61 -1.96 0.00 0.00 0.27 0.00 0.00 31.44 30.36 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 3.27 0.00 -4.75 4.31 3.02 0.89 -5.02 115.26 116.99 1du3 n ASN 253 Ca 0.22 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.46 1du3 n ASN 253 Cb 0.14 0.00 0.11 0.00 -0.61 0.00 0.00 39.78 39.42 1du3 n ASN 253 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1du3 s ASP 254 N -3.05 4.19 0.00 6.41 1.01 0.29 -4.77 116.67 120.75 1du3 s ASP 254 Ca 0.00 1.91 0.00 0.00 0.71 0.00 0.00 52.55 55.17 1du3 s ASP 254 Cb 0.00 -2.53 -0.00 0.00 1.01 0.00 0.00 42.92 41.39 1du3 s ASP 254 CO 0.00 -2.25 -0.01 -0.13 0.21 0.00 0.00 175.17 173.00 1du3 s ARG 255 N -4.81 0.08 0.12 8.23 0.52 0.11 -1.92 118.95 121.28 1du3 s ARG 255 Ca 0.63 -0.13 0.08 0.00 -0.52 0.00 0.00 55.73 55.79 1du3 s ARG 255 Cb -0.19 0.00 -0.04 0.00 0.52 0.00 0.00 34.95 35.25 1du3 s ARG 255 CO 0.56 -0.01 -0.19 0.96 0.02 0.00 0.00 175.30 176.65 1du3 s ILE 256 N -0.29 1.63 0.24 1.52 -4.36 -0.72 0.87 121.20 120.08 1du3 s ILE 256 Ca -0.03 -1.64 -0.15 0.00 -0.26 0.00 0.00 60.65 58.58 1du3 s ILE 256 Cb -0.02 -1.57 0.00 0.00 1.25 0.00 0.00 42.46 42.12 1du3 s ILE 256 CO -0.00 -0.19 0.51 0.72 0.24 0.00 0.00 174.94 176.22 1du3 s PHE 257 N -1.53 0.19 -0.08 1.37 -0.12 -0.64 -1.50 117.98 115.68 1du3 s PHE 257 Ca 0.08 -0.57 0.01 0.00 -0.05 0.00 0.00 56.93 56.40 1du3 s PHE 257 Cb -0.08 0.29 -0.03 0.00 -0.63 0.00 0.00 43.02 42.57 1du3 s PHE 257 CO 0.04 -1.00 -0.10 0.08 -0.05 0.00 0.00 175.22 174.20 1du3 s VAL 258 N -3.97 3.44 0.06 -2.49 1.01 -1.26 -1.40 120.40 115.79 1du3 s VAL 258 Ca 0.18 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 61.64 1du3 s VAL 258 Cb -0.01 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 1du3 s VAL 258 CO 0.06 0.58 -0.13 -0.55 0.00 0.00 0.00 175.10 175.06 1du3 s SER 259 N -0.50 1.51 0.08 3.32 0.15 -0.81 -0.88 113.70 116.57 1du3 s SER 259 Ca 0.07 -0.57 -0.11 0.00 0.70 0.00 0.00 55.95 56.04 1du3 s SER 259 Cb -0.12 -0.04 0.01 0.00 -1.71 0.00 0.00 66.02 64.16 1du3 s SER 259 CO 0.02 -0.08 0.24 0.68 1.20 0.00 0.00 173.24 175.30 1du3 s VAL 260 N -1.21 0.11 0.75 4.45 -7.23 -0.72 -0.88 120.40 115.67 1du3 s VAL 260 Ca -0.03 -0.95 -0.07 0.00 -1.81 0.00 0.00 61.98 59.12 1du3 s VAL 260 Cb -0.10 -1.16 0.09 0.00 0.56 0.00 0.00 36.38 35.78 1du3 s VAL 260 CO 0.02 -0.52 1.07 0.42 -0.31 0.00 0.00 175.10 175.77 1du3 s THR 261 N -3.36 2.20 -0.55 5.32 -4.23 -1.09 -0.56 115.64 113.37 1du3 s THR 261 Ca 0.01 -0.26 -0.12 0.00 -1.18 0.00 0.00 61.69 60.13 1du3 s THR 261 Cb 0.02 -2.94 0.02 0.00 1.34 0.00 0.00 72.50 70.94 1du3 s THR 261 CO -0.08 0.00 0.23 0.59 -0.54 0.00 0.00 174.62 174.82 1du3 n ASN 262 N -3.06 -1.32 0.26 3.99 3.02 -1.26 -4.72 115.26 112.17 1du3 n ASN 262 Ca 0.10 -0.56 0.16 0.00 -0.03 0.00 0.00 54.58 54.25 1du3 n ASN 262 Cb 0.60 -0.67 0.86 0.00 -0.61 0.00 0.00 39.78 39.96 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 0.49 0.00 0.00 3.52 4.11 -1.94 -0.10 114.58 120.67 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 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1du3 h GLU 263 CO 0.24 0.00 0.00 -2.39 0.07 0.00 0.00 179.01 176.93 1du3 n HIS 264 N -3.88 0.00 0.84 2.06 1.44 -1.26 -2.24 115.22 112.18 1du3 n HIS 264 Ca -0.01 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.79 1du3 n HIS 264 Cb 0.18 -0.42 -0.00 0.00 0.12 0.00 0.00 29.99 29.87 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 -1.42 1.82 -4.80 2.39 4.77 -0.05 -5.00 117.00 114.71 1du3 n LEU 265 Ca 0.04 -0.77 -0.34 0.00 -0.03 0.00 0.00 56.01 54.91 1du3 n LEU 265 Cb 0.11 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.16 1du3 n LEU 265 CO 0.09 0.34 0.70 -0.63 -1.33 0.00 0.00 177.39 176.57 1du3 s ILE 266 N -2.15 3.93 -0.34 -0.08 -1.09 -0.95 -0.60 121.20 119.91 1du3 s ILE 266 Ca 0.16 1.22 -0.03 0.00 -2.23 0.00 0.00 60.65 59.77 1du3 s ILE 266 Cb 0.15 -3.50 0.07 0.00 -1.58 0.00 0.00 42.46 37.60 1du3 s ILE 266 CO 0.48 -0.24 0.08 -0.62 -1.23 0.00 0.00 174.94 173.41 1du3 s ASP 267 N -2.00 5.08 -0.08 3.58 -1.08 0.68 -4.83 116.67 118.02 1du3 s ASP 267 Ca 0.65 -1.49 0.07 0.00 -0.52 0.00 0.00 52.55 51.26 1du3 s ASP 267 Cb -0.15 -1.78 0.33 0.00 -1.46 0.00 0.00 42.92 39.87 1du3 s ASP 267 CO 0.19 -0.36 1.07 0.23 0.52 0.00 0.00 175.17 176.81 1du3 n MET 268 N 4.64 2.48 -1.65 4.34 2.81 -1.26 -3.99 117.12 124.49 1du3 n MET 268 Ca -0.09 -1.29 -0.40 0.00 -1.81 0.00 0.00 57.70 54.11 1du3 n MET 268 Cb 0.43 -1.71 0.03 0.00 -0.71 0.00 0.00 33.22 31.25 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 0.29 1.57 0.26 7.83 8.00 -1.26 -3.28 116.55 129.96 1du3 n ASP 269 Ca 0.11 0.96 0.12 0.00 0.71 0.00 0.00 54.79 56.70 1du3 n ASP 269 Cb 0.58 -1.43 0.71 0.00 -0.02 0.00 0.00 41.12 40.96 1du3 n ASP 269 CO 0.00 0.00 0.00 1.12 -0.39 0.00 0.00 177.20 177.93 1du3 h HIS 270 N 1.29 0.00 0.00 1.24 2.07 -1.55 -2.34 115.15 115.85 1du3 h HIS 270 Ca -0.47 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.05 1du3 h HIS 270 Cb 1.33 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.31 1du3 h HIS 270 CO 0.43 0.12 -0.25 0.93 -3.07 0.00 0.00 177.93 176.09 1du3 h GLU 271 N 0.00 0.00 0.09 5.12 3.07 -1.88 -3.37 114.58 117.61 1du3 h GLU 271 Ca -0.00 0.00 -0.35 0.00 -0.50 0.00 0.00 59.36 58.51 1du3 h GLU 271 Cb 0.31 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.20 1du3 h GLU 271 CO 0.02 0.00 -1.92 0.00 -1.40 0.00 0.00 179.01 175.71 1du3 n ALA 272 N -1.92 0.92 -3.65 3.43 0.00 -0.91 -4.92 120.51 113.47 1du3 n ALA 272 Ca 0.04 -0.63 -0.28 0.00 0.00 0.00 0.00 53.44 52.57 1du3 n ALA 272 Cb 0.47 -0.58 -0.17 0.00 0.00 0.00 0.00 19.45 19.17 1du3 n ALA 272 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1du3 s SER 273 N -6.98 2.41 0.26 0.00 0.01 -1.05 -4.05 113.70 104.30 1du3 s SER 273 Ca -0.25 -0.42 0.01 0.00 1.31 0.00 0.00 55.95 56.60 1du3 s SER 273 Cb 0.07 -1.08 -0.00 0.00 0.21 0.00 0.00 66.02 65.22 1du3 s SER 273 CO 0.71 0.02 0.31 2.22 0.41 0.00 0.00 173.24 176.91 1du3 n PHE 274 N 4.19 -0.98 -3.60 2.43 1.16 -0.44 -1.70 117.46 118.52 1du3 n PHE 274 Ca -0.19 -1.88 -0.14 0.00 -1.87 0.00 0.00 57.45 53.37 1du3 n PHE 274 Cb 0.51 0.34 -0.07 0.00 -1.61 0.00 0.00 39.48 38.66 1du3 n PHE 274 CO 0.00 0.00 0.00 0.12 -1.87 0.00 0.00 176.76 175.01 1du3 s PHE 275 N -3.28 -0.65 0.05 2.97 5.36 -0.46 -1.36 117.98 120.60 1du3 s PHE 275 Ca 0.25 1.46 -0.27 0.00 -0.96 0.00 0.00 56.93 57.40 1du3 s PHE 275 Cb 0.00 0.34 0.10 0.00 -0.34 0.00 0.00 43.02 43.12 1du3 s PHE 275 CO 0.18 -0.40 1.18 0.20 -1.46 0.00 0.00 175.22 174.92 1du3 s GLY 276 N -0.15 -0.21 -0.05 13.12 0.00 -0.65 0.08 107.32 119.47 1du3 s GLY 276 Ca -0.02 0.23 -0.29 0.00 0.00 0.00 0.00 44.72 44.64 1du3 s GLY 276 CO 0.02 1.87 0.90 0.00 0.00 0.00 0.00 173.10 175.88 1du3 s ALA 277 N -2.42 -1.85 -0.03 3.20 0.00 -0.50 -1.47 121.76 118.69 1du3 s ALA 277 Ca 0.19 1.21 -0.22 0.00 0.00 0.00 0.00 51.96 53.14 1du3 s ALA 277 Cb 0.01 0.04 0.04 0.00 0.00 0.00 0.00 23.12 23.21 1du3 s ALA 277 CO -0.00 -0.54 0.46 -0.59 0.00 0.00 0.00 175.76 175.09 1du3 s PHE 278 N -2.33 -0.38 0.99 0.00 -0.12 -0.47 -1.68 117.98 113.98 1du3 s PHE 278 Ca 0.01 0.63 -0.11 0.00 -0.05 0.00 0.00 56.93 57.41 1du3 s PHE 278 Cb -0.01 0.23 0.18 0.00 -0.63 0.00 0.00 43.02 42.79 1du3 s PHE 278 CO -0.04 -0.48 1.09 -1.17 -0.05 0.00 0.00 175.22 174.57 1du3 s LEU 279 N -1.26 2.07 0.00 -1.99 2.96 -0.88 -1.34 118.68 118.23 1du3 s LEU 279 Ca -0.12 1.81 0.00 0.00 -0.22 0.00 0.00 54.13 55.59 1du3 s LEU 279 Cb -0.03 -4.06 0.00 0.00 0.50 0.00 0.00 46.19 42.60 1du3 s LEU 279 CO 0.07 -3.33 0.00 1.33 -1.32 0.00 0.00 176.35 173.10 1du3 n VAL 280 N -4.36 0.00 -0.68 1.68 0.24 -1.11 -4.76 118.33 109.35 1du3 n VAL 280 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.38 1du3 n VAL 280 Cb 0.53 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 1du3 n VAL 280 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30