#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 4.56 -0.61 -1.09 3.00 -1.26 -5.00 118.95 118.55 1du3 s ARG 121 Ca 0.00 1.87 -0.02 0.00 0.00 0.00 0.00 55.73 57.58 1du3 s ARG 121 Cb 0.00 -3.19 0.16 0.00 0.00 0.00 0.00 34.95 31.91 1du3 s ARG 121 CO 0.00 0.07 0.41 0.08 0.00 0.00 0.00 175.30 175.86 1du3 s VAL 122 N -0.79 3.53 0.30 3.52 1.01 -1.26 -4.03 120.40 122.68 1du3 s VAL 122 Ca 0.48 -3.03 -0.08 0.00 0.00 0.00 0.00 61.98 59.34 1du3 s VAL 122 Cb -0.33 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.73 1du3 s VAL 122 CO 0.41 -0.87 0.50 0.00 0.00 0.00 0.00 175.10 175.14 1du3 s ALA 123 N -0.12 0.17 -0.29 5.51 0.00 -0.64 -1.95 121.76 124.44 1du3 s ALA 123 Ca 0.17 -1.16 -0.26 0.00 0.00 0.00 0.00 51.96 50.72 1du3 s ALA 123 Cb -0.21 1.07 0.17 0.00 0.00 0.00 0.00 23.12 24.15 1du3 s ALA 123 CO -0.03 -0.83 1.30 0.00 0.00 0.00 0.00 175.76 176.20 1du3 s ALA 124 N -3.43 -2.13 -0.05 0.00 0.00 -0.48 -0.57 121.76 115.10 1du3 s ALA 124 Ca 0.26 1.75 -0.02 0.00 0.00 0.00 0.00 51.96 53.94 1du3 s ALA 124 Cb -0.01 -1.62 0.04 0.00 0.00 0.00 0.00 23.12 21.53 1du3 s ALA 124 CO 0.14 -0.16 0.09 -1.58 0.00 0.00 0.00 175.76 174.26 1du3 s HIS 125 N -0.06 -0.03 -0.03 0.00 5.04 -0.91 -1.10 115.29 118.20 1du3 s HIS 125 Ca 0.06 0.37 0.03 0.00 -1.54 0.00 0.00 55.06 53.98 1du3 s HIS 125 Cb -0.04 -0.38 0.00 0.00 0.04 0.00 0.00 32.58 32.20 1du3 s HIS 125 CO -0.12 -0.21 -0.10 0.96 -2.34 0.00 0.00 174.74 172.93 1du3 s ILE 126 N 2.10 0.92 0.55 0.89 -4.36 0.93 -1.26 121.20 120.96 1du3 s ILE 126 Ca 0.03 -0.42 0.07 0.00 -0.26 0.00 0.00 60.65 60.07 1du3 s ILE 126 Cb -0.12 -0.82 0.05 0.00 1.25 0.00 0.00 42.46 42.83 1du3 s ILE 126 CO -0.04 0.28 0.54 0.42 0.24 0.00 0.00 174.94 176.38 1du3 s THR 127 N 0.26 1.85 0.62 8.37 -4.23 -1.26 -0.92 115.64 120.32 1du3 s THR 127 Ca -0.05 -1.32 -0.14 0.00 -1.18 0.00 0.00 61.69 59.00 1du3 s THR 127 Cb -0.10 -2.17 -0.03 0.00 1.34 0.00 0.00 72.50 71.54 1du3 s THR 127 CO 0.01 0.00 1.05 -0.83 -0.54 0.00 0.00 174.62 174.31 1du3 s GLY 128 N -4.41 1.97 0.00 3.99 0.00 -0.70 -1.78 107.32 106.39 1du3 s GLY 128 Ca 0.44 0.27 0.00 0.00 0.00 0.00 0.00 44.72 45.43 1du3 s GLY 128 CO 0.27 0.58 0.00 -1.30 0.00 0.00 0.00 173.10 172.65 1du3 n THR 129 N -2.33 0.00 0.00 0.90 -2.24 -1.21 -3.73 114.28 105.67 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 -4.11 116.66 111.14 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 -0.57 0.00 0.00 0.45 0.00 0.00 32.46 32.34 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 -0.43 -1.05 3.71 5.14 0.00 -1.26 -4.95 105.19 106.35 1du3 n GLY 131 Ca 0.00 -2.24 -0.30 0.00 0.00 0.00 0.00 46.02 43.49 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 -0.72 1.23 -0.10 1.61 0.52 -1.26 -2.28 118.95 117.95 1du3 s ARG 132 Ca 0.00 0.84 -0.08 0.00 -0.52 0.00 0.00 55.73 55.96 1du3 s ARG 132 Cb 0.00 -1.80 -0.04 0.00 0.52 0.00 0.00 34.95 33.62 1du3 s ARG 132 CO 0.00 -2.26 0.19 -1.12 0.02 0.00 0.00 175.30 172.12 1du3 s SER 133 N -3.39 6.46 0.07 0.23 0.01 -1.26 -4.89 113.70 110.93 1du3 s SER 133 Ca 0.64 0.56 -0.13 0.00 1.31 0.00 0.00 55.95 58.32 1du3 s SER 133 Cb -0.18 -2.10 -0.07 0.00 0.21 0.00 0.00 66.02 63.87 1du3 s SER 133 CO 0.57 0.39 0.26 0.59 0.41 0.00 0.00 173.24 175.47 1du3 n ASN 134 N 1.97 -0.43 -2.91 2.44 3.02 -1.26 -5.14 115.26 112.94 1du3 n ASN 134 Ca -0.19 0.48 -0.36 0.00 -0.03 0.00 0.00 54.58 54.48 1du3 n ASN 134 Cb 0.54 -0.40 0.02 0.00 -0.61 0.00 0.00 39.78 39.34 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 0.12 3.61 0.00 3.41 -2.24 -1.26 -5.25 114.28 112.67 1du3 n THR 135 Ca 0.08 -4.79 0.00 0.00 -2.27 0.00 0.00 64.05 57.07 1du3 n THR 135 Cb 0.09 -1.30 0.00 0.00 -2.10 0.00 0.00 70.33 67.02 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 -0.88 -1.77 6.98 0.00 -1.26 -5.33 120.51 117.82 1du3 n ALA 146 Ca 0.48 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.60 1du3 n ALA 146 Cb 0.35 -0.22 -0.00 0.00 0.00 0.00 0.00 19.45 19.58 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 -0.75 3.44 0.00 0.00 1.43 -1.26 -4.84 118.68 116.70 1du3 s LEU 147 Ca 0.00 1.60 0.00 0.00 -1.03 0.00 0.00 54.13 54.70 1du3 s LEU 147 Cb 0.00 -4.50 0.00 0.00 0.03 0.00 0.00 46.19 41.72 1du3 s LEU 147 CO 0.00 -0.91 0.00 0.61 0.23 0.00 0.00 176.35 176.28 1du3 n GLY 148 N -1.75 -0.53 2.66 -3.19 0.00 -1.26 -4.55 105.19 96.57 1du3 n GLY 148 Ca 0.07 -1.10 -0.24 0.00 0.00 0.00 0.00 46.02 44.75 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 0.15 0.59 1.61 0.52 0.11 -4.75 118.95 117.18 1du3 s ARG 149 Ca 0.00 0.04 -0.18 0.00 -0.52 0.00 0.00 55.73 55.08 1du3 s ARG 149 Cb 0.00 -1.35 -0.09 0.00 0.52 0.00 0.00 34.95 34.03 1du3 s ARG 149 CO 0.00 -0.52 0.46 1.17 0.02 0.00 0.00 175.30 176.43 1du3 n LYS 150 N 5.24 0.44 -3.82 3.54 4.81 -1.26 -2.00 118.16 125.11 1du3 n LYS 150 Ca -0.06 0.17 -0.36 0.00 -0.87 0.00 0.00 58.31 57.19 1du3 n LYS 150 Cb 0.49 -1.66 -0.13 0.00 0.02 0.00 0.00 35.03 33.75 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 -1.77 3.70 -0.14 3.15 1.01 -0.57 -4.85 121.20 121.73 1du3 s ILE 151 Ca 0.67 -0.63 0.06 0.00 0.00 0.00 0.00 60.65 60.74 1du3 s ILE 151 Cb -0.43 -2.83 -0.07 0.00 0.01 0.00 0.00 42.46 39.13 1du3 s ILE 151 CO 0.56 0.21 0.18 -0.46 0.00 0.00 0.00 174.94 175.43 1du3 n ASN 152 N 4.83 1.88 -0.47 3.58 0.23 -1.26 -4.55 115.26 119.49 1du3 n ASN 152 Ca -0.16 -0.33 0.00 0.00 -0.53 0.00 0.00 54.58 53.56 1du3 n ASN 152 Cb 0.49 1.12 0.00 0.00 -2.08 0.00 0.00 39.78 39.31 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 -1.40 0.48 -4.76 0.53 3.41 -1.26 -4.11 113.62 106.51 1du3 n SER 153 Ca 0.00 -1.03 -0.29 0.00 -0.26 0.00 0.00 58.87 57.29 1du3 n SER 153 Cb 0.12 -0.24 0.14 0.00 -0.26 0.00 0.00 64.21 63.96 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 -1.07 2.47 -0.33 7.33 0.52 -1.26 -3.54 118.94 123.05 1du3 s TRP 154 Ca 0.00 0.99 -0.12 0.00 0.02 0.00 0.00 56.10 56.99 1du3 s TRP 154 Cb 0.00 -3.28 -0.01 0.00 -1.15 0.00 0.00 33.47 29.03 1du3 s TRP 154 CO 0.00 -2.36 0.21 -1.83 0.02 0.00 0.00 176.95 172.99 1du3 s GLU 155 N -5.15 3.36 0.00 4.98 -1.05 -0.73 -4.86 118.70 115.25 1du3 s GLU 155 Ca 0.63 -0.72 0.18 0.00 -0.15 0.00 0.00 54.97 54.91 1du3 s GLU 155 Cb -0.16 -3.72 1.00 0.00 -0.44 0.00 0.00 34.13 30.81 1du3 s GLU 155 CO 0.55 -0.47 1.49 -1.13 0.95 0.00 0.00 175.26 176.66 1du3 n SER 156 N 5.05 0.00 -1.00 0.83 3.41 -1.26 -4.63 113.62 116.02 1du3 n SER 156 Ca -0.13 -0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.16 1du3 n SER 156 Cb 0.49 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 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 -1.12 0.00 -4.41 4.04 3.41 -1.26 -4.78 113.62 109.50 1du3 n SER 157 Ca 0.11 -0.28 -0.31 0.00 -0.26 0.00 0.00 58.87 58.14 1du3 n SER 157 Cb 0.09 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.91 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 1.11 2.05 0.00 4.33 3.00 -1.26 -4.29 118.95 123.89 1du3 s ARG 158 Ca 0.00 -0.98 0.00 0.00 -1.00 0.00 0.00 55.73 53.75 1du3 s ARG 158 Cb 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 34.95 32.81 1du3 s ARG 158 CO 0.00 0.54 0.00 -1.13 0.00 0.00 0.00 175.30 174.71 1du3 n SER 159 N 1.79 0.00 -1.96 -2.12 3.41 -0.16 -4.96 113.62 109.62 1du3 n SER 159 Ca -0.16 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.45 1du3 n SER 159 Cb 0.52 0.00 0.36 0.00 -0.26 0.00 0.00 64.21 64.83 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 3.28 0.00 5.00 0.00 -1.26 -4.30 105.19 107.91 1du3 n GLY 160 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 0.27 0.00 -3.75 1.61 1.44 -1.26 -5.12 115.22 108.41 1du3 n HIS 161 Ca 0.34 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.92 1du3 n HIS 161 Cb 1.29 0.04 -0.11 0.00 0.12 0.00 0.00 29.99 31.34 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 -0.37 0.18 4.39 1.04 -1.26 -4.67 113.70 113.01 1du3 s SER 162 Ca 0.00 0.70 -0.05 0.00 0.48 0.00 0.00 55.95 57.08 1du3 s SER 162 Cb 0.00 0.70 -0.03 0.00 0.10 0.00 0.00 66.02 66.80 1du3 s SER 162 CO 0.00 -0.13 0.21 0.72 0.98 0.00 0.00 173.24 175.02 1du3 s PHE 163 N 0.29 0.73 -0.06 5.02 -0.71 -0.39 -0.99 117.98 121.87 1du3 s PHE 163 Ca -0.01 -1.06 -0.02 0.00 -1.04 0.00 0.00 56.93 54.80 1du3 s PHE 163 Cb -0.03 -0.27 0.03 0.00 -1.21 0.00 0.00 43.02 41.54 1du3 s PHE 163 CO -0.01 -0.68 0.06 -0.51 -1.34 0.00 0.00 175.22 172.74 1du3 s LEU 164 N -3.05 0.20 -0.19 -1.99 1.43 -1.26 -2.14 118.68 111.68 1du3 s LEU 164 Ca 0.26 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.35 1du3 s LEU 164 Cb 0.05 -0.17 0.04 0.00 0.03 0.00 0.00 46.19 46.14 1du3 s LEU 164 CO 0.05 -0.26 -0.08 -0.55 0.23 0.00 0.00 176.35 175.74 1du3 s SER 165 N 2.15 3.19 -1.47 2.29 0.15 0.26 -4.74 113.70 115.54 1du3 s SER 165 Ca 0.05 -0.81 -0.11 0.00 0.70 0.00 0.00 55.95 55.77 1du3 s SER 165 Cb -0.13 -1.11 0.05 0.00 -1.71 0.00 0.00 66.02 63.13 1du3 s SER 165 CO -0.04 -0.16 1.01 0.59 1.20 0.00 0.00 173.24 175.84 1du3 n ASN 166 N 4.76 -5.45 -3.41 5.45 3.02 -1.26 -1.62 115.26 116.75 1du3 n ASN 166 Ca -0.14 -0.65 -0.07 0.00 -0.03 0.00 0.00 54.58 53.70 1du3 n ASN 166 Cb 0.47 -4.33 0.00 0.00 -0.61 0.00 0.00 39.78 35.31 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 -7.23 -0.11 0.04 3.41 1.02 -1.26 -4.23 118.68 110.32 1du3 s LEU 167 Ca 0.61 -0.81 -0.27 0.00 0.02 0.00 0.00 54.13 53.68 1du3 s LEU 167 Cb -0.29 2.63 0.07 0.00 0.02 0.00 0.00 46.19 48.62 1du3 s LEU 167 CO 0.75 -1.39 0.66 -1.38 0.02 0.00 0.00 176.35 175.01 1du3 s HIS 168 N -2.98 -0.59 0.08 0.29 -3.43 -1.20 -4.92 115.29 102.54 1du3 s HIS 168 Ca 0.14 0.74 -0.05 0.00 -0.80 0.00 0.00 55.06 55.09 1du3 s HIS 168 Cb -0.05 0.48 -0.05 0.00 -1.43 0.00 0.00 32.58 31.53 1du3 s HIS 168 CO 0.08 -0.71 0.32 -1.17 -2.00 0.00 0.00 174.74 171.26 1du3 s LEU 169 N -1.91 4.33 -0.29 5.38 2.96 -1.26 -0.14 118.68 127.74 1du3 s LEU 169 Ca -0.05 0.56 0.03 0.00 -0.22 0.00 0.00 54.13 54.46 1du3 s LEU 169 Cb -0.00 -3.00 0.20 0.00 0.50 0.00 0.00 46.19 43.88 1du3 s LEU 169 CO -0.01 0.15 0.63 -0.60 -1.32 0.00 0.00 176.35 175.20 1du3 s ARG 170 N -2.23 0.53 -0.15 1.98 3.52 -0.89 -4.89 118.95 116.81 1du3 s ARG 170 Ca 0.34 0.59 0.00 0.00 -0.13 0.00 0.00 55.73 56.54 1du3 s ARG 170 Cb -0.13 0.29 0.00 0.00 -1.56 0.00 0.00 34.95 33.55 1du3 s ARG 170 CO 0.21 -0.92 0.00 0.09 -0.81 0.00 0.00 175.30 173.87 1du3 n ASN 171 N 5.40 -3.54 0.00 -2.12 4.13 -1.26 -2.69 115.26 115.18 1du3 n ASN 171 Ca 0.04 0.04 0.00 0.00 1.68 0.00 0.00 54.58 56.34 1du3 n ASN 171 Cb 0.54 -1.17 0.00 0.00 -1.54 0.00 0.00 39.78 37.61 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 -2.33 0.86 2.99 7.41 0.00 -1.26 -4.44 105.19 108.42 1du3 n GLY 172 Ca -0.01 -0.44 -0.28 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.12 1.92 0.19 1.61 2.02 -1.10 -4.49 118.70 117.73 1du3 s GLU 173 Ca 0.00 -0.43 -0.30 0.00 0.02 0.00 0.00 54.97 54.26 1du3 s GLU 173 Cb 0.00 -1.77 -0.08 0.00 0.10 0.00 0.00 34.13 32.38 1du3 s GLU 173 CO 0.00 -0.17 1.16 -0.51 0.02 0.00 0.00 175.26 175.76 1du3 s LEU 174 N 1.33 4.47 -0.24 1.80 1.43 -0.59 -2.10 118.68 124.77 1du3 s LEU 174 Ca -0.01 2.19 -0.03 0.00 -1.03 0.00 0.00 54.13 55.25 1du3 s LEU 174 Cb -0.14 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.48 1du3 s LEU 174 CO -0.06 -0.30 -0.04 -0.69 0.23 0.00 0.00 176.35 175.49 1du3 s VAL 175 N -0.21 3.22 -0.03 -1.59 1.01 0.80 -1.77 120.40 121.83 1du3 s VAL 175 Ca 0.51 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 61.45 1du3 s VAL 175 Cb -0.31 -2.56 -0.05 0.00 0.00 0.00 0.00 36.38 33.46 1du3 s VAL 175 CO 0.36 0.29 1.49 -0.63 0.00 0.00 0.00 175.10 176.61 1du3 s ILE 176 N 1.42 3.67 -0.21 2.22 -1.09 -0.76 -3.21 121.20 123.25 1du3 s ILE 176 Ca 0.03 0.97 -0.18 0.00 -2.23 0.00 0.00 60.65 59.23 1du3 s ILE 176 Cb -0.16 -3.62 -0.15 0.00 -1.58 0.00 0.00 42.46 36.95 1du3 s ILE 176 CO -0.03 -0.04 0.06 1.41 -1.23 0.00 0.00 174.94 175.11 1du3 n HIS 177 N 6.11 0.86 -3.95 3.97 8.25 -1.26 0.08 115.22 129.28 1du3 n HIS 177 Ca 0.15 0.37 -0.30 0.00 -0.26 0.00 0.00 57.72 57.68 1du3 n HIS 177 Cb 0.43 -1.02 -0.04 0.00 1.12 0.00 0.00 29.99 30.48 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 -2.37 3.32 -0.00 -0.41 2.02 -1.26 -4.53 118.70 115.47 1du3 s GLU 178 Ca -0.28 -0.52 -0.08 0.00 0.02 0.00 0.00 54.97 54.12 1du3 s GLU 178 Cb 0.06 -2.96 -0.05 0.00 0.10 0.00 0.00 34.13 31.28 1du3 s GLU 178 CO 0.51 0.59 0.29 -1.59 0.02 0.00 0.00 175.26 175.08 1du3 s LYS 179 N -2.59 3.63 0.00 1.61 -2.85 -1.26 -4.52 119.74 113.76 1du3 s LYS 179 Ca 0.34 0.01 0.00 0.00 -1.00 0.00 0.00 55.97 55.32 1du3 s LYS 179 Cb -0.13 -3.10 0.00 0.00 -2.06 0.00 0.00 37.83 32.54 1du3 s LYS 179 CO 0.27 0.66 0.00 0.41 0.10 0.00 0.00 175.35 176.79 1du3 n GLY 180 N 1.30 -1.37 3.79 0.59 0.00 -0.51 -4.99 105.19 104.01 1du3 n GLY 180 Ca -0.12 -1.12 -0.38 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.98 3.78 -0.06 1.61 0.08 -1.26 -1.13 117.98 118.02 1du3 s PHE 181 Ca 0.00 1.53 0.01 0.00 0.12 0.00 0.00 56.93 58.59 1du3 s PHE 181 Cb 0.00 -2.71 0.02 0.00 -0.57 0.00 0.00 43.02 39.76 1du3 s PHE 181 CO 0.00 0.42 -0.05 0.71 -0.10 0.00 0.00 175.22 176.20 1du3 s TYR 182 N -1.34 0.90 -0.16 0.36 1.51 0.99 -2.75 117.35 116.86 1du3 s TYR 182 Ca 0.40 -0.30 -0.27 0.00 -1.01 0.00 0.00 57.07 55.89 1du3 s TYR 182 Cb -0.20 -0.80 -0.01 0.00 -0.11 0.00 0.00 41.96 40.84 1du3 s TYR 182 CO 0.24 -0.26 0.91 -0.47 -1.11 0.00 0.00 175.55 174.85 1du3 s TYR 183 N 1.15 3.43 -0.14 2.71 5.04 -0.53 -1.22 117.35 127.78 1du3 s TYR 183 Ca -0.07 1.37 0.02 0.00 -2.44 0.00 0.00 57.07 55.94 1du3 s TYR 183 Cb -0.14 -3.10 0.01 0.00 0.35 0.00 0.00 41.96 39.09 1du3 s TYR 183 CO -0.01 -0.28 -0.19 0.42 -1.34 0.00 0.00 175.55 174.15 1du3 s ILE 184 N 2.29 1.90 0.28 3.14 1.01 0.42 -1.63 121.20 128.61 1du3 s ILE 184 Ca 0.41 -0.87 0.03 0.00 0.00 0.00 0.00 60.65 60.23 1du3 s ILE 184 Cb -0.17 -1.70 -0.06 0.00 0.01 0.00 0.00 42.46 40.54 1du3 s ILE 184 CO 0.13 0.52 0.03 -0.72 0.00 0.00 0.00 174.94 174.90 1du3 s TYR 185 N 1.01 1.74 -0.24 3.97 1.13 -0.66 -2.09 117.35 122.22 1du3 s TYR 185 Ca -0.03 -0.97 -0.27 0.00 -1.41 0.00 0.00 57.07 54.39 1du3 s TYR 185 Cb -0.15 -1.07 0.13 0.00 -1.10 0.00 0.00 41.96 39.77 1du3 s TYR 185 CO -0.05 -0.05 1.03 0.45 -2.51 0.00 0.00 175.55 174.42 1du3 s SER 186 N -3.39 -0.41 -0.05 -0.18 0.15 -0.90 -1.70 113.70 107.22 1du3 s SER 186 Ca 0.33 0.70 0.06 0.00 0.70 0.00 0.00 55.95 57.74 1du3 s SER 186 Cb 0.07 0.67 -0.01 0.00 -1.71 0.00 0.00 66.02 65.04 1du3 s SER 186 CO 0.12 -0.21 -0.24 -1.58 1.20 0.00 0.00 173.24 172.53 1du3 s GLN 187 N -0.21 2.37 -0.07 5.44 0.74 -0.80 -1.97 119.66 125.16 1du3 s GLN 187 Ca 0.02 -0.87 0.01 0.00 0.05 0.00 0.00 55.36 54.56 1du3 s GLN 187 Cb -0.04 -2.06 0.02 0.00 1.10 0.00 0.00 33.01 32.04 1du3 s GLN 187 CO -0.04 0.40 -0.08 0.95 -0.55 0.00 0.00 175.29 175.97 1du3 s THR 188 N -0.22 0.88 -0.37 -0.34 -4.23 0.13 -1.66 115.64 109.83 1du3 s THR 188 Ca -0.01 -0.29 -0.16 0.00 -1.18 0.00 0.00 61.69 60.05 1du3 s THR 188 Cb -0.13 -0.87 0.00 0.00 1.34 0.00 0.00 72.50 72.85 1du3 s THR 188 CO 0.03 0.31 0.40 -0.47 -0.54 0.00 0.00 174.62 174.35 1du3 s TYR 189 N 1.09 3.19 -0.30 3.99 5.04 -1.26 -0.07 117.35 129.04 1du3 s TYR 189 Ca -0.07 -0.14 -0.11 0.00 -2.44 0.00 0.00 57.07 54.30 1du3 s TYR 189 Cb -0.14 -2.76 -0.03 0.00 0.35 0.00 0.00 41.96 39.37 1du3 s TYR 189 CO -0.01 -0.54 0.20 -0.06 -1.34 0.00 0.00 175.55 173.80 1du3 s PHE 190 N 2.08 3.21 -0.02 4.97 0.08 -0.78 -0.39 117.98 127.13 1du3 s PHE 190 Ca 0.12 -0.10 0.02 0.00 0.12 0.00 0.00 56.93 57.08 1du3 s PHE 190 Cb -0.17 -2.41 0.01 0.00 -0.57 0.00 0.00 43.02 39.88 1du3 s PHE 190 CO 0.12 -0.28 -0.06 0.50 -0.10 0.00 0.00 175.22 175.41 1du3 s ARG 191 N 1.72 0.64 -0.00 0.44 3.52 0.27 -0.70 118.95 124.85 1du3 s ARG 191 Ca 0.06 -0.17 -0.24 0.00 -0.13 0.00 0.00 55.73 55.25 1du3 s ARG 191 Cb -0.17 -0.64 0.05 0.00 -1.56 0.00 0.00 34.95 32.64 1du3 s ARG 191 CO 0.10 0.05 0.53 -0.59 -0.81 0.00 0.00 175.30 174.58 1du3 s PHE 192 N 0.30 -0.46 -0.76 5.12 -0.12 -0.52 -4.65 117.98 116.88 1du3 s PHE 192 Ca -0.04 0.67 0.03 0.00 -0.05 0.00 0.00 56.93 57.55 1du3 s PHE 192 Cb -0.08 0.31 0.20 0.00 -0.63 0.00 0.00 43.02 42.82 1du3 s PHE 192 CO -0.00 -0.57 0.63 0.94 -0.05 0.00 0.00 175.22 176.17 1du3 n GLN 193 N 0.80 2.20 -2.47 1.99 7.27 -1.26 -1.27 117.38 124.64 1du3 n GLN 193 Ca -0.19 -4.52 -0.35 0.00 0.07 0.00 0.00 57.00 52.01 1du3 n GLN 193 Cb 0.58 -2.32 -0.03 0.00 2.41 0.00 0.00 30.24 30.88 1du3 n GLN 193 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 1du3 s GLU 194 N -1.60 3.76 -0.06 3.69 -1.05 -1.16 -4.98 118.70 117.30 1du3 s GLU 194 Ca 0.28 1.46 0.01 0.00 -0.15 0.00 0.00 54.97 56.57 1du3 s GLU 194 Cb -0.02 -2.16 0.02 0.00 -0.44 0.00 0.00 34.13 31.53 1du3 s GLU 194 CO -0.13 -0.48 -0.08 -2.00 0.95 0.00 0.00 175.26 173.52 1du3 s GLU 195 N -3.10 1.21 -0.75 -4.83 2.56 -1.26 -4.58 118.70 107.94 1du3 s GLU 195 Ca 0.67 -0.23 -0.26 0.00 0.00 0.00 0.00 54.97 55.15 1du3 s GLU 195 Cb -0.19 -1.12 -0.12 0.00 2.00 0.00 0.00 34.13 34.70 1du3 s GLU 195 CO 0.23 -0.06 2.37 0.42 -0.56 0.00 0.00 175.26 177.66 1du3 s ILE 196 N 0.91 3.05 1.02 -3.70 -1.09 -1.26 -4.91 121.20 115.22 1du3 s ILE 196 Ca -0.11 -0.03 -0.14 0.00 -2.23 0.00 0.00 60.65 58.15 1du3 s ILE 196 Cb -0.15 -3.11 0.11 0.00 -1.58 0.00 0.00 42.46 37.74 1du3 s ILE 196 CO 0.01 -0.10 0.53 0.29 -1.23 0.00 0.00 174.94 174.43 1du3 n LYS 197 N 8.86 -0.97 0.00 2.79 4.76 -1.26 -5.03 118.16 127.30 1du3 n LYS 197 Ca 0.44 -0.24 0.00 0.00 -2.87 0.00 0.00 58.31 55.64 1du3 n LYS 197 Cb 0.45 -1.96 0.00 0.00 -1.84 0.00 0.00 35.03 31.69 1du3 n LYS 197 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1du3 n GLU 198 N -2.73 0.00 -0.78 1.97 4.07 -1.26 -4.57 120.64 117.34 1du3 n GLU 198 Ca 0.06 0.00 -0.08 0.00 -0.06 0.00 0.00 57.16 57.08 1du3 n GLU 198 Cb 0.56 -0.33 -0.11 0.00 -0.06 0.00 0.00 31.44 31.49 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 -0.27 4.83 -3.46 4.31 5.15 -1.26 -4.82 115.26 119.73 1du3 n ASN 199 Ca 0.00 -2.37 -0.11 0.00 -0.60 0.00 0.00 54.58 51.51 1du3 n ASN 199 Cb 0.00 -1.22 -0.02 0.00 -0.53 0.00 0.00 39.78 38.01 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 0.88 0.00 0.65 -0.44 2.01 -1.26 -5.16 115.64 112.31 1du3 s THR 200 Ca 0.43 -0.03 -0.11 0.00 0.31 0.00 0.00 61.69 62.30 1du3 s THR 200 Cb 0.21 -1.03 -0.02 0.00 0.01 0.00 0.00 72.50 71.66 1du3 s THR 200 CO 0.00 0.00 1.05 -0.54 -0.69 0.00 0.00 174.62 174.44 1du3 s LYS 201 N -3.54 3.35 0.00 4.92 1.02 -1.26 -4.87 119.74 119.36 1du3 s LYS 201 Ca 0.03 0.64 0.03 0.00 0.02 0.00 0.00 55.97 56.69 1du3 s LYS 201 Cb -0.01 -2.07 -0.01 0.00 -0.52 0.00 0.00 37.83 35.22 1du3 s LYS 201 CO -0.11 -0.72 0.27 -1.71 -0.92 0.00 0.00 175.35 172.16 1du3 n ASN 202 N -2.83 0.48 -4.70 2.83 5.15 -1.26 -4.99 115.26 109.94 1du3 n ASN 202 Ca 0.06 -0.74 -0.43 0.00 -0.60 0.00 0.00 54.58 52.87 1du3 n ASN 202 Cb 0.55 0.69 -0.03 0.00 -0.53 0.00 0.00 39.78 40.46 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 -0.68 3.80 -4.43 1.20 5.75 -1.26 -4.97 116.55 115.96 1du3 n ASP 203 Ca 0.01 1.05 -0.32 0.00 -0.01 0.00 0.00 54.79 55.52 1du3 n ASP 203 Cb 0.05 -1.53 -0.14 0.00 -1.03 0.00 0.00 41.12 38.47 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 1.45 2.55 -0.58 0.11 1.02 -1.26 -4.99 119.74 118.04 1du3 s LYS 204 Ca 0.77 -0.74 -0.03 0.00 0.02 0.00 0.00 55.97 56.00 1du3 s LYS 204 Cb -0.54 -2.35 0.15 0.00 -0.52 0.00 0.00 37.83 34.57 1du3 s LYS 204 CO 0.35 0.56 0.39 -0.65 -0.92 0.00 0.00 175.35 175.07 1du3 s GLN 205 N -0.57 2.43 -0.28 1.68 -0.21 -1.26 -1.78 119.66 119.68 1du3 s GLN 205 Ca 0.08 -2.38 -0.26 0.00 0.02 0.00 0.00 55.36 52.82 1du3 s GLN 205 Cb -0.11 -3.69 0.01 0.00 1.00 0.00 0.00 33.01 30.21 1du3 s GLN 205 CO 0.01 -1.15 0.93 -1.64 -2.12 0.00 0.00 175.29 171.32 1du3 s MET 206 N 0.19 4.11 0.03 2.91 -1.94 -0.38 -4.68 119.30 119.54 1du3 s MET 206 Ca 0.15 0.97 0.03 0.00 -1.71 0.00 0.00 55.69 55.13 1du3 s MET 206 Cb -0.21 -3.69 -0.02 0.00 2.01 0.00 0.00 34.83 32.92 1du3 s MET 206 CO -0.03 -0.69 -0.10 0.08 -0.01 0.00 0.00 175.02 174.27 1du3 s VAL 207 N 3.17 0.76 -0.09 -6.03 1.01 -1.26 -0.37 120.40 117.59 1du3 s VAL 207 Ca 0.39 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.53 1du3 s VAL 207 Cb -0.14 -0.73 0.01 0.00 0.00 0.00 0.00 36.38 35.52 1du3 s VAL 207 CO 0.11 -0.11 -0.18 -1.58 0.00 0.00 0.00 175.10 173.33 1du3 s GLN 208 N -1.09 2.39 0.10 2.72 0.74 -0.02 -2.71 119.66 121.79 1du3 s GLN 208 Ca -0.02 -0.65 0.07 0.00 0.05 0.00 0.00 55.36 54.81 1du3 s GLN 208 Cb -0.07 -1.88 -0.04 0.00 1.10 0.00 0.00 33.01 32.11 1du3 s GLN 208 CO 0.01 0.08 -0.11 0.71 -0.55 0.00 0.00 175.29 175.43 1du3 s TYR 209 N 0.56 2.72 -0.31 1.67 2.02 0.14 -1.69 117.35 122.46 1du3 s TYR 209 Ca -0.16 -0.17 -0.01 0.00 -0.37 0.00 0.00 57.07 56.36 1du3 s TYR 209 Cb -0.17 -1.43 0.10 0.00 -0.40 0.00 0.00 41.96 40.06 1du3 s TYR 209 CO 0.05 0.41 0.12 0.42 -1.57 0.00 0.00 175.55 174.98 1du3 s ILE 210 N -1.19 0.62 0.60 2.71 1.01 -0.82 -1.22 121.20 122.92 1du3 s ILE 210 Ca 0.20 -1.29 0.02 0.00 0.00 0.00 0.00 60.65 59.58 1du3 s ILE 210 Cb -0.11 -1.48 0.07 0.00 0.01 0.00 0.00 42.46 40.95 1du3 s ILE 210 CO 0.13 -0.71 0.84 -0.31 0.00 0.00 0.00 174.94 174.88 1du3 s TYR 211 N 1.67 2.32 0.01 3.97 2.02 -0.57 0.12 117.35 126.89 1du3 s TYR 211 Ca 0.10 -0.18 -0.05 0.00 -0.37 0.00 0.00 57.07 56.58 1du3 s TYR 211 Cb -0.17 -2.77 -0.01 0.00 -0.40 0.00 0.00 41.96 38.61 1du3 s TYR 211 CO -0.26 -1.15 0.08 -1.59 -1.57 0.00 0.00 175.55 171.06 1du3 s LYS 212 N -4.86 0.44 -0.12 -0.62 -2.85 -0.47 -2.00 119.74 109.25 1du3 s LYS 212 Ca 0.60 -0.50 0.02 0.00 -1.00 0.00 0.00 55.97 55.10 1du3 s LYS 212 Cb -0.08 0.18 -0.00 0.00 -2.06 0.00 0.00 37.83 35.86 1du3 s LYS 212 CO 0.40 -0.10 -0.20 0.71 0.10 0.00 0.00 175.35 176.27 1du3 s TYR 213 N -1.52 2.67 0.01 1.78 2.02 0.17 -0.88 117.35 121.61 1du3 s TYR 213 Ca -0.14 -1.03 0.00 0.00 -0.37 0.00 0.00 57.07 55.53 1du3 s TYR 213 Cb -0.08 -1.79 -0.00 0.00 -0.40 0.00 0.00 41.96 39.69 1du3 s TYR 213 CO 0.00 -0.43 0.00 -2.37 -1.57 0.00 0.00 175.55 171.19 1du3 n THR 214 N 3.74 0.00 -0.85 -0.71 5.66 -1.26 -0.27 114.28 120.58 1du3 n THR 214 Ca -0.19 -0.05 -0.41 0.00 -3.05 0.00 0.00 64.05 60.35 1du3 n THR 214 Cb 0.52 0.02 -0.08 0.00 -1.55 0.00 0.00 70.33 69.24 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 -1.98 2.00 -3.55 1.09 3.41 -1.26 -4.63 113.62 108.70 1du3 n SER 215 Ca -0.00 -2.57 -0.01 0.00 -0.26 0.00 0.00 58.87 56.03 1du3 n SER 215 Cb 0.01 -0.87 -0.05 0.00 -0.26 0.00 0.00 64.21 63.04 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 5.63 -0.80 0.13 7.33 5.04 -1.26 -5.10 117.35 128.32 1du3 s TYR 216 Ca 0.58 1.47 -0.11 0.00 -2.44 0.00 0.00 57.07 56.57 1du3 s TYR 216 Cb 0.14 0.48 0.11 0.00 0.35 0.00 0.00 41.96 43.04 1du3 s TYR 216 CO 0.19 -0.40 0.90 -2.30 -1.34 0.00 0.00 175.55 172.60 1du3 n PRO 217 N 4.58 -0.16 -2.82 4.97 -0.02 -1.26 -4.68 135.00 135.61 1du3 n PRO 217 Ca -0.14 0.89 -0.27 0.00 -2.02 0.00 0.00 63.50 61.96 1du3 n PRO 217 Cb 0.54 -1.32 -0.01 0.00 -0.02 0.00 0.00 33.50 32.70 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 -5.22 6.28 0.31 2.55 1.01 -1.26 -5.05 116.67 115.29 1du3 s ASP 218 Ca -0.08 0.83 -0.24 0.00 0.71 0.00 0.00 52.55 53.77 1du3 s ASP 218 Cb 0.11 -2.20 -0.10 0.00 1.01 0.00 0.00 42.92 41.74 1du3 s ASP 218 CO 0.40 -0.50 0.90 -2.16 0.21 0.00 0.00 175.17 174.02 1du3 s PRO 219 N -4.59 4.49 -0.20 8.23 0.04 -1.26 -4.69 135.00 137.02 1du3 s PRO 219 Ca 0.46 1.21 0.01 0.00 0.04 0.00 0.00 61.00 62.73 1du3 s PRO 219 Cb -0.10 -2.77 0.03 0.00 0.04 0.00 0.00 34.50 31.70 1du3 s PRO 219 CO 0.42 0.28 -0.16 0.42 0.04 0.00 0.00 177.00 178.00 1du3 s ILE 220 N -1.64 1.98 0.34 0.56 1.01 -0.06 -4.79 121.20 118.61 1du3 s ILE 220 Ca 0.49 -1.08 -0.29 0.00 0.00 0.00 0.00 60.65 59.78 1du3 s ILE 220 Cb -0.18 -1.90 -0.12 0.00 0.01 0.00 0.00 42.46 40.28 1du3 s ILE 220 CO 0.22 0.35 1.44 -0.11 0.00 0.00 0.00 174.94 176.84 1du3 n LEU 221 N 4.60 4.17 -0.08 2.97 7.94 -1.26 -1.37 117.00 133.97 1du3 n LEU 221 Ca -0.18 1.20 -0.15 0.00 -1.11 0.00 0.00 56.01 55.77 1du3 n LEU 221 Cb 0.48 -1.56 -0.05 0.00 0.53 0.00 0.00 43.42 42.82 1du3 n LEU 221 CO 0.24 -0.10 -0.90 0.18 -1.11 0.00 0.00 177.39 175.69 1du3 n LEU 222 N 1.00 1.42 -4.28 -1.96 4.77 0.12 -4.88 117.00 113.19 1du3 n LEU 222 Ca 0.04 0.24 -0.15 0.00 -0.03 0.00 0.00 56.01 56.11 1du3 n LEU 222 Cb 0.37 -0.56 -0.10 0.00 -2.33 0.00 0.00 43.42 40.80 1du3 n LEU 222 CO 0.63 0.11 -0.23 -0.04 -1.33 0.00 0.00 177.39 176.53 1du3 s MET 223 N -2.42 1.38 -0.19 3.23 -1.94 -1.12 -5.00 119.30 113.24 1du3 s MET 223 Ca -0.24 -1.75 -0.28 0.00 -1.71 0.00 0.00 55.69 51.72 1du3 s MET 223 Cb 0.07 -0.01 0.09 0.00 2.01 0.00 0.00 34.83 36.99 1du3 s MET 223 CO 0.31 -0.37 0.81 -1.59 -0.01 0.00 0.00 175.02 174.17 1du3 s LYS 224 N -4.02 0.81 -0.05 2.03 -2.85 -1.26 -1.94 119.74 112.46 1du3 s LYS 224 Ca 0.38 0.57 -0.03 0.00 -1.00 0.00 0.00 55.97 55.89 1du3 s LYS 224 Cb 0.07 0.39 0.02 0.00 -2.06 0.00 0.00 37.83 36.25 1du3 s LYS 224 CO 0.14 -0.18 0.11 0.45 0.10 0.00 0.00 175.35 175.97 1du3 s SER 225 N -0.36 -0.09 0.23 0.03 0.15 -0.68 -4.97 113.70 108.02 1du3 s SER 225 Ca -0.03 0.22 0.05 0.00 0.70 0.00 0.00 55.95 56.88 1du3 s SER 225 Cb -0.03 0.17 -0.05 0.00 -1.71 0.00 0.00 66.02 64.40 1du3 s SER 225 CO 0.02 -0.08 -0.03 0.00 1.20 0.00 0.00 173.24 174.35 1du3 s ALA 226 N 0.53 1.91 0.08 5.45 0.00 -1.26 -0.84 121.76 127.63 1du3 s ALA 226 Ca -0.04 -1.77 -0.13 0.00 0.00 0.00 0.00 51.96 50.02 1du3 s ALA 226 Cb -0.05 0.35 0.02 0.00 0.00 0.00 0.00 23.12 23.44 1du3 s ALA 226 CO -0.02 -0.18 0.30 1.03 0.00 0.00 0.00 175.76 176.89 1du3 s ARG 227 N -3.81 0.90 -0.07 0.00 1.81 0.50 -4.98 118.95 113.30 1du3 s ARG 227 Ca 0.27 -0.71 0.03 0.00 -1.72 0.00 0.00 55.73 53.61 1du3 s ARG 227 Cb 0.05 0.38 0.00 0.00 -0.45 0.00 0.00 34.95 34.94 1du3 s ARG 227 CO 0.09 -0.31 -0.17 0.54 -0.68 0.00 0.00 175.30 174.76 1du3 s ASN 228 N -2.54 2.30 0.71 0.23 2.20 -1.26 -1.25 114.94 115.33 1du3 s ASN 228 Ca 0.01 -0.40 -0.16 0.00 -0.94 0.00 0.00 52.86 51.37 1du3 s ASN 228 Cb 0.02 -0.96 0.01 0.00 -2.00 0.00 0.00 41.25 38.32 1du3 s ASN 228 CO -0.08 0.10 1.06 -1.54 -2.94 0.00 0.00 177.10 173.70 1du3 n SER 229 N 3.55 0.90 -4.64 3.54 3.41 -0.73 -4.88 113.62 114.77 1du3 n SER 229 Ca -0.21 0.70 -0.39 0.00 -0.26 0.00 0.00 58.87 58.71 1du3 n SER 229 Cb 0.52 -1.45 0.03 0.00 -0.26 0.00 0.00 64.21 63.06 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 -1.04 0.21 -1.67 0.00 7.02 -1.26 -4.94 117.44 115.75 1du3 n TRP 231 Ca 0.11 0.06 -0.43 0.00 -1.02 0.00 0.00 57.50 56.22 1du3 n TRP 231 Cb 0.43 -0.41 -0.01 0.00 -2.42 0.00 0.00 31.31 28.90 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 -1.75 2.48 0.05 -0.99 2.88 -1.26 -4.86 113.62 110.17 1du3 n SER 232 Ca 0.04 1.19 0.11 0.00 -1.33 0.00 0.00 58.87 58.89 1du3 n SER 232 Cb 0.38 -1.43 0.46 0.00 -0.75 0.00 0.00 64.21 62.86 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 0.88 0.10 -0.46 -1.46 2.85 -1.26 -2.72 118.16 116.08 1du3 n LYS 233 Ca 0.07 0.21 0.10 0.00 -1.05 0.00 0.00 58.31 57.64 1du3 n LYS 233 Cb 0.34 -1.64 0.32 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 -1.82 4.09 -4.56 -5.58 8.00 -1.26 -4.90 116.55 110.52 1du3 n ASP 234 Ca 0.05 -2.20 -0.39 0.00 0.71 0.00 0.00 54.79 52.96 1du3 n ASP 234 Cb 0.29 -0.51 -0.03 0.00 -0.02 0.00 0.00 41.12 40.85 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 -1.43 2.26 0.25 2.24 0.00 -1.10 -4.81 121.76 119.16 1du3 s ALA 235 Ca 0.47 -0.38 0.05 0.00 0.00 0.00 0.00 51.96 52.10 1du3 s ALA 235 Cb 0.27 -4.24 0.28 0.00 0.00 0.00 0.00 23.12 19.43 1du3 s ALA 235 CO 0.28 -3.68 1.58 0.93 0.00 0.00 0.00 175.76 174.87 1du3 h GLU 236 N 15.01 0.23 0.00 0.00 5.08 -1.91 -3.46 114.58 129.54 1du3 h GLU 236 Ca -0.27 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 57.88 1du3 h GLU 236 Cb 1.18 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 1du3 h GLU 236 CO 1.17 0.74 0.14 2.48 -1.00 0.00 0.00 179.01 182.55 1du3 n TYR 237 N -3.89 -1.85 -3.74 4.33 0.18 -1.26 -3.01 117.16 107.92 1du3 n TYR 237 Ca -0.02 -1.41 -0.12 0.00 1.88 0.00 0.00 57.90 58.22 1du3 n TYR 237 Cb 0.60 0.62 -0.12 0.00 -0.38 0.00 0.00 39.34 40.06 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 -2.51 -0.22 -0.13 -7.48 0.00 -0.40 -4.91 107.32 91.66 1du3 s GLY 238 Ca 0.13 1.07 -0.00 0.00 0.00 0.00 0.00 44.72 45.92 1du3 s GLY 238 CO 0.10 1.14 -0.09 1.08 0.00 0.00 0.00 173.10 175.33 1du3 s LEU 239 N 0.82 1.39 -0.41 0.66 1.43 -1.26 -1.44 118.68 119.87 1du3 s LEU 239 Ca -0.05 -0.41 0.04 0.00 -1.03 0.00 0.00 54.13 52.67 1du3 s LEU 239 Cb -0.06 -0.94 0.17 0.00 0.03 0.00 0.00 46.19 45.38 1du3 s LEU 239 CO -0.06 -0.11 0.40 -0.31 0.23 0.00 0.00 176.35 176.50 1du3 s TYR 240 N 1.64 0.17 0.29 0.29 1.51 0.13 -5.00 117.35 116.38 1du3 s TYR 240 Ca 0.04 -1.50 -0.29 0.00 -1.01 0.00 0.00 57.07 54.31 1du3 s TYR 240 Cb -0.13 -0.55 -0.09 0.00 -0.11 0.00 0.00 41.96 41.07 1du3 s TYR 240 CO -0.09 -0.95 1.10 -1.12 -1.11 0.00 0.00 175.55 173.38 1du3 s SER 241 N 0.73 7.22 -0.13 2.29 0.01 -1.26 -1.87 113.70 120.69 1du3 s SER 241 Ca 0.26 2.25 -0.00 0.00 1.31 0.00 0.00 55.95 59.77 1du3 s SER 241 Cb -0.06 -2.62 0.03 0.00 0.21 0.00 0.00 66.02 63.57 1du3 s SER 241 CO -0.09 -0.18 -0.09 -0.63 0.41 0.00 0.00 173.24 172.66 1du3 s ILE 242 N -1.21 1.14 0.04 1.44 1.01 0.91 -4.94 121.20 119.60 1du3 s ILE 242 Ca 0.46 -0.39 0.09 0.00 0.00 0.00 0.00 60.65 60.81 1du3 s ILE 242 Cb -0.31 -1.15 -0.03 0.00 0.01 0.00 0.00 42.46 40.98 1du3 s ILE 242 CO 0.40 0.36 -0.26 -0.47 0.00 0.00 0.00 174.94 174.98 1du3 s TYR 243 N 1.66 2.27 0.13 3.97 6.14 -1.26 0.18 117.35 130.45 1du3 s TYR 243 Ca 0.05 -0.41 -0.17 0.00 0.64 0.00 0.00 57.07 57.18 1du3 s TYR 243 Cb -0.13 -1.36 0.04 0.00 0.42 0.00 0.00 41.96 40.93 1du3 s TYR 243 CO -0.09 0.12 0.42 -1.14 0.64 0.00 0.00 175.55 175.51 1du3 s GLN 244 N -1.22 1.10 -0.13 4.97 0.74 -0.83 -5.00 119.66 119.29 1du3 s GLN 244 Ca 0.11 -0.70 -0.32 0.00 0.05 0.00 0.00 55.36 54.51 1du3 s GLN 244 Cb -0.10 0.48 0.13 0.00 1.10 0.00 0.00 33.01 34.62 1du3 s GLN 244 CO 0.02 -0.44 1.07 0.20 -0.55 0.00 0.00 175.29 175.60 1du3 s GLY 245 N -2.80 -0.32 -0.12 2.59 0.00 -1.26 -2.12 107.32 103.29 1du3 s GLY 245 Ca 0.03 1.57 -0.33 0.00 0.00 0.00 0.00 44.72 45.99 1du3 s GLY 245 CO -0.12 0.60 1.09 -0.32 0.00 0.00 0.00 173.10 174.35 1du3 s GLY 246 N -2.01 -0.35 0.09 0.20 0.00 -0.89 -4.96 107.32 99.40 1du3 s GLY 246 Ca 0.06 1.40 -0.13 0.00 0.00 0.00 0.00 44.72 46.05 1du3 s GLY 246 CO -0.05 0.47 0.46 -0.42 0.00 0.00 0.00 173.10 173.57 1du3 s ILE 247 N -2.64 4.98 -0.06 0.90 1.01 -1.26 -0.44 121.20 123.68 1du3 s ILE 247 Ca 0.08 0.71 -0.11 0.00 0.00 0.00 0.00 60.65 61.33 1du3 s ILE 247 Cb -0.01 -3.71 0.02 0.00 0.01 0.00 0.00 42.46 38.78 1du3 s ILE 247 CO -0.06 0.35 0.27 -0.36 0.00 0.00 0.00 174.94 175.14 1du3 s PHE 248 N -1.34 -0.22 0.09 3.97 0.40 -0.36 -4.89 117.98 115.64 1du3 s PHE 248 Ca 0.32 0.49 -0.30 0.00 -0.60 0.00 0.00 56.93 56.85 1du3 s PHE 248 Cb -0.15 0.08 -0.05 0.00 0.51 0.00 0.00 43.02 43.41 1du3 s PHE 248 CO 0.18 -0.24 1.02 -2.00 0.70 0.00 0.00 175.22 174.87 1du3 s GLU 249 N -0.51 4.62 0.01 0.44 2.12 -1.26 -0.00 118.70 124.11 1du3 s GLU 249 Ca -0.06 1.53 0.01 0.00 0.36 0.00 0.00 54.97 56.81 1du3 s GLU 249 Cb -0.04 -3.37 -0.01 0.00 0.26 0.00 0.00 34.13 30.97 1du3 s GLU 249 CO 0.02 0.07 -0.03 -0.51 -0.54 0.00 0.00 175.26 174.27 1du3 s LEU 250 N 0.28 2.12 0.31 2.70 1.43 -0.28 -4.95 118.68 120.28 1du3 s LEU 250 Ca 0.50 -0.27 0.09 0.00 -1.03 0.00 0.00 54.13 53.42 1du3 s LEU 250 Cb -0.25 -0.05 -0.04 0.00 0.03 0.00 0.00 46.19 45.88 1du3 s LEU 250 CO 0.30 -0.12 0.06 -1.59 0.23 0.00 0.00 176.35 175.23 1du3 s LYS 251 N -0.76 2.30 -0.07 1.70 -2.85 -1.26 -1.42 119.74 117.38 1du3 s LYS 251 Ca -0.06 -1.51 -0.39 0.00 -1.00 0.00 0.00 55.97 53.00 1du3 s LYS 251 Cb -0.05 -2.14 -0.18 0.00 -2.06 0.00 0.00 37.83 33.40 1du3 s LYS 251 CO -0.00 0.23 1.38 -1.91 0.10 0.00 0.00 175.35 175.15 1du3 n GLU 252 N -1.01 0.73 -0.71 1.78 2.13 -1.26 -0.21 120.64 122.09 1du3 n GLU 252 Ca -0.05 0.26 0.00 0.00 0.66 0.00 0.00 57.16 58.04 1du3 n GLU 252 Cb 0.60 -1.86 0.00 0.00 0.27 0.00 0.00 31.44 30.45 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 2.99 0.00 -4.74 4.31 3.02 0.11 -5.01 115.26 115.94 1du3 n ASN 253 Ca 0.22 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.44 1du3 n ASN 253 Cb 0.12 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.39 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 -3.15 4.28 -0.00 6.41 1.01 0.71 -4.76 116.67 121.16 1du3 s ASP 254 Ca 0.00 2.10 0.01 0.00 0.71 0.00 0.00 52.55 55.37 1du3 s ASP 254 Cb 0.00 -2.56 -0.00 0.00 1.01 0.00 0.00 42.92 41.37 1du3 s ASP 254 CO 0.00 -2.19 -0.03 -0.13 0.21 0.00 0.00 175.17 173.03 1du3 s ARG 255 N -4.33 0.28 0.10 8.23 0.52 0.63 -1.82 118.95 122.56 1du3 s ARG 255 Ca 0.68 -0.11 0.08 0.00 -0.52 0.00 0.00 55.73 55.86 1du3 s ARG 255 Cb -0.23 -0.29 -0.03 0.00 0.52 0.00 0.00 34.95 34.92 1du3 s ARG 255 CO 0.49 0.06 -0.20 0.96 0.02 0.00 0.00 175.30 176.63 1du3 s ILE 256 N -0.01 1.66 0.19 1.52 -4.36 -0.73 0.43 121.20 119.90 1du3 s ILE 256 Ca 0.01 -1.51 -0.15 0.00 -0.26 0.00 0.00 60.65 58.73 1du3 s ILE 256 Cb -0.02 -1.51 0.02 0.00 1.25 0.00 0.00 42.46 42.20 1du3 s ILE 256 CO -0.00 -0.06 0.46 0.72 0.24 0.00 0.00 174.94 176.30 1du3 s PHE 257 N -1.16 0.01 -0.05 1.37 -0.12 -0.85 -1.55 117.98 115.64 1du3 s PHE 257 Ca 0.06 -0.36 0.01 0.00 -0.05 0.00 0.00 56.93 56.59 1du3 s PHE 257 Cb -0.10 0.28 -0.03 0.00 -0.63 0.00 0.00 43.02 42.54 1du3 s PHE 257 CO 0.04 -0.87 -0.03 0.08 -0.05 0.00 0.00 175.22 174.39 1du3 s VAL 258 N -3.90 3.95 0.09 -2.49 1.01 -1.26 -1.52 120.40 116.29 1du3 s VAL 258 Ca 0.11 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.63 1du3 s VAL 258 Cb 0.00 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 1du3 s VAL 258 CO -0.02 0.52 -0.11 -0.55 0.00 0.00 0.00 175.10 174.94 1du3 s SER 259 N -1.10 1.45 0.10 3.32 0.15 -0.35 -1.51 113.70 115.76 1du3 s SER 259 Ca 0.15 -0.76 -0.13 0.00 0.70 0.00 0.00 55.95 55.92 1du3 s SER 259 Cb -0.11 -0.00 0.02 0.00 -1.71 0.00 0.00 66.02 64.21 1du3 s SER 259 CO 0.05 -0.23 0.30 0.68 1.20 0.00 0.00 173.24 175.24 1du3 s VAL 260 N -2.16 0.10 0.73 4.45 -7.23 -0.84 -0.68 120.40 114.77 1du3 s VAL 260 Ca 0.03 -0.86 -0.06 0.00 -1.81 0.00 0.00 61.98 59.28 1du3 s VAL 260 Cb -0.05 -1.23 0.10 0.00 0.56 0.00 0.00 36.38 35.76 1du3 s VAL 260 CO 0.00 -0.47 1.03 0.42 -0.31 0.00 0.00 175.10 175.77 1du3 s THR 261 N -3.75 2.24 -0.57 5.32 -4.23 -1.10 0.09 115.64 113.64 1du3 s THR 261 Ca 0.03 -0.34 -0.11 0.00 -1.18 0.00 0.00 61.69 60.10 1du3 s THR 261 Cb 0.03 -2.90 0.01 0.00 1.34 0.00 0.00 72.50 70.99 1du3 s THR 261 CO -0.11 0.00 0.20 0.59 -0.54 0.00 0.00 174.62 174.76 1du3 n ASN 262 N -2.98 -1.07 0.33 3.99 3.02 -1.26 -4.73 115.26 112.56 1du3 n ASN 262 Ca 0.11 -0.56 0.21 0.00 -0.03 0.00 0.00 54.58 54.30 1du3 n ASN 262 Cb 0.60 -0.68 1.14 0.00 -0.61 0.00 0.00 39.78 40.23 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 0.36 0.00 0.00 3.52 4.11 -1.93 -0.22 114.58 120.42 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 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1du3 h GLU 263 CO 0.25 0.00 0.00 -2.39 0.07 0.00 0.00 179.01 176.94 1du3 n HIS 264 N -3.27 0.00 0.90 2.06 1.44 -1.26 -2.62 115.22 112.46 1du3 n HIS 264 Ca -0.03 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.79 1du3 n HIS 264 Cb 0.08 -0.48 0.07 0.00 0.12 0.00 0.00 29.99 29.78 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 -1.48 2.60 -4.80 2.39 4.77 -0.09 -4.98 117.00 115.41 1du3 n LEU 265 Ca 0.04 -0.95 -0.35 0.00 -0.03 0.00 0.00 56.01 54.72 1du3 n LEU 265 Cb 0.15 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.18 1du3 n LEU 265 CO 0.12 0.45 0.68 -0.63 -1.33 0.00 0.00 177.39 176.68 1du3 s ILE 266 N -1.90 4.13 -0.39 -0.08 -1.09 -1.08 -0.56 121.20 120.23 1du3 s ILE 266 Ca 0.23 1.49 -0.05 0.00 -2.23 0.00 0.00 60.65 60.10 1du3 s ILE 266 Cb 0.18 -3.70 0.09 0.00 -1.58 0.00 0.00 42.46 37.44 1du3 s ILE 266 CO 0.32 -0.13 0.18 -0.62 -1.23 0.00 0.00 174.94 173.46 1du3 s ASP 267 N -1.89 5.29 -0.06 3.58 -1.08 0.48 -4.85 116.67 118.14 1du3 s ASP 267 Ca 0.59 -1.70 0.06 0.00 -0.52 0.00 0.00 52.55 50.98 1du3 s ASP 267 Cb -0.15 -1.85 0.27 0.00 -1.46 0.00 0.00 42.92 39.72 1du3 s ASP 267 CO 0.19 -0.48 1.01 0.23 0.52 0.00 0.00 175.17 176.65 1du3 n MET 268 N 4.70 2.11 -1.66 4.34 2.81 -1.26 -3.95 117.12 124.20 1du3 n MET 268 Ca -0.07 -1.03 -0.40 0.00 -1.81 0.00 0.00 57.70 54.38 1du3 n MET 268 Cb 0.42 -1.58 0.02 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 0.23 1.86 0.28 7.83 8.00 -1.26 -3.30 116.55 130.19 1du3 n ASP 269 Ca 0.09 1.02 0.14 0.00 0.71 0.00 0.00 54.79 56.75 1du3 n ASP 269 Cb 0.46 -1.44 0.82 0.00 -0.02 0.00 0.00 41.12 40.93 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 1.58 0.00 0.00 1.24 2.07 -1.54 -1.85 115.15 116.65 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 1.32 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.30 1du3 h HIS 270 CO 0.44 0.06 -0.37 0.93 -3.07 0.00 0.00 177.93 175.93 1du3 h GLU 271 N 0.00 0.00 0.08 5.12 3.07 -1.87 -3.37 114.58 117.60 1du3 h GLU 271 Ca -0.00 0.00 -0.31 0.00 -0.50 0.00 0.00 59.36 58.55 1du3 h GLU 271 Cb 0.16 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.05 1du3 h GLU 271 CO 0.01 0.00 -1.70 0.00 -1.40 0.00 0.00 179.01 175.91 1du3 h ALA 272 N 2.37 0.36 -3.23 3.43 0.00 -1.64 -3.47 119.26 117.09 1du3 h ALA 272 Ca 0.00 -1.32 -0.60 0.00 0.00 0.00 0.00 54.91 52.99 1du3 h ALA 272 Cb 0.82 0.72 -0.35 0.00 0.00 0.00 0.00 17.79 18.98 1du3 h ALA 272 CO 0.00 1.07 -0.84 -1.12 0.00 0.00 0.00 179.25 178.36 1du3 s SER 273 N -6.98 2.60 0.21 0.00 0.01 -1.05 -4.12 113.70 104.36 1du3 s SER 273 Ca -0.25 -0.47 0.02 0.00 1.31 0.00 0.00 55.95 56.56 1du3 s SER 273 Cb 0.06 -1.16 -0.01 0.00 0.21 0.00 0.00 66.02 65.12 1du3 s SER 273 CO 0.70 0.01 0.23 2.22 0.41 0.00 0.00 173.24 176.81 1du3 n PHE 274 N 4.29 -0.75 -3.63 2.43 1.16 -0.66 -1.72 117.46 118.58 1du3 n PHE 274 Ca -0.19 -1.57 -0.11 0.00 -1.87 0.00 0.00 57.45 53.72 1du3 n PHE 274 Cb 0.51 0.25 -0.07 0.00 -1.61 0.00 0.00 39.48 38.56 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 -3.24 -0.70 0.16 2.97 5.36 -0.10 -1.91 117.98 120.52 1du3 s PHE 275 Ca 0.21 1.64 -0.24 0.00 -0.96 0.00 0.00 56.93 57.58 1du3 s PHE 275 Cb 0.00 0.34 0.07 0.00 -0.34 0.00 0.00 43.02 43.10 1du3 s PHE 275 CO 0.15 -0.34 1.00 0.20 -1.46 0.00 0.00 175.22 174.78 1du3 s GLY 276 N 0.50 -0.08 -0.10 13.12 0.00 -0.69 -0.05 107.32 120.01 1du3 s GLY 276 Ca -0.00 -0.06 -0.30 0.00 0.00 0.00 0.00 44.72 44.36 1du3 s GLY 276 CO -0.04 0.95 0.94 0.00 0.00 0.00 0.00 173.10 174.95 1du3 s ALA 277 N -2.76 -1.89 -0.05 3.20 0.00 -0.26 -1.65 121.76 118.35 1du3 s ALA 277 Ca 0.16 1.39 -0.20 0.00 0.00 0.00 0.00 51.96 53.32 1du3 s ALA 277 Cb -0.02 -0.30 0.04 0.00 0.00 0.00 0.00 23.12 22.85 1du3 s ALA 277 CO 0.03 -0.43 0.44 -0.59 0.00 0.00 0.00 175.76 175.21 1du3 s PHE 278 N -1.75 -0.36 1.03 0.00 -0.12 -0.65 -1.38 117.98 114.75 1du3 s PHE 278 Ca -0.00 0.65 -0.12 0.00 -0.05 0.00 0.00 56.93 57.41 1du3 s PHE 278 Cb -0.01 0.20 0.21 0.00 -0.63 0.00 0.00 43.02 42.79 1du3 s PHE 278 CO -0.01 -0.43 1.07 -1.17 -0.05 0.00 0.00 175.22 174.63 1du3 s LEU 279 N -1.06 1.67 0.00 -1.99 2.96 -0.82 -1.46 118.68 117.98 1du3 s LEU 279 Ca -0.11 1.63 0.00 0.00 -0.22 0.00 0.00 54.13 55.43 1du3 s LEU 279 Cb -0.03 -3.78 0.00 0.00 0.50 0.00 0.00 46.19 42.87 1du3 s LEU 279 CO 0.05 -3.52 0.00 1.33 -1.32 0.00 0.00 176.35 172.90 1du3 n VAL 280 N -4.47 0.00 -0.76 1.68 0.24 -1.11 -4.74 118.33 109.17 1du3 n VAL 280 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 1du3 n VAL 280 Cb 0.54 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.91 1du3 n VAL 280 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30