#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jun n GLU 115 N 0.00 0.00 -3.38 0.00 -0.58 -1.26 -5.10 120.64 110.32 2jun n GLU 115 Ca 0.00 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.36 2jun n GLU 115 Cb 0.00 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 30.81 2jun n GLU 115 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2jun s LYS 116 N -2.00 4.27 0.26 3.49 1.02 -1.26 -4.96 119.74 120.57 2jun s LYS 116 Ca 0.00 0.38 -0.30 0.00 0.02 0.00 0.00 55.97 56.07 2jun s LYS 116 Cb 0.00 -3.41 -0.10 0.00 -0.52 0.00 0.00 37.83 33.81 2jun s LYS 116 CO 0.00 0.24 1.30 0.54 -0.92 0.00 0.00 175.35 176.51 2jun s VAL 117 N 0.38 3.00 0.20 3.17 0.11 -1.26 -4.99 120.40 121.01 2jun s VAL 117 Ca 0.24 0.90 -0.19 0.00 -2.93 0.00 0.00 61.98 60.00 2jun s VAL 117 Cb -0.15 -3.58 -0.08 0.00 -1.53 0.00 0.00 36.38 31.05 2jun s VAL 117 CO 0.09 0.18 0.69 -0.76 -3.33 0.00 0.00 175.10 171.97 2jun s LEU 118 N -0.92 4.35 -0.40 2.54 1.43 -1.26 -2.72 118.68 121.70 2jun s LEU 118 Ca 0.53 1.36 -0.31 0.00 -1.03 0.00 0.00 54.13 54.67 2jun s LEU 118 Cb -0.38 -3.51 -0.10 0.00 0.03 0.00 0.00 46.19 42.24 2jun s LEU 118 CO 0.45 0.05 2.30 0.00 0.23 0.00 0.00 176.35 179.38 2jun h GLN 120 N 14.81 0.00 -0.98 0.00 4.15 -1.87 -2.54 115.11 128.67 2jun h GLN 120 Ca -0.28 0.00 -0.66 0.00 0.77 0.00 0.00 58.65 58.48 2jun h GLN 120 Cb 1.29 0.00 -0.30 0.00 0.21 0.00 0.00 27.48 28.68 2jun h GLN 120 CO 1.07 0.12 0.78 1.19 -1.93 0.00 0.00 178.83 180.06 2jun n PHE 121 N -3.61 3.19 -4.95 3.99 3.01 -1.26 -4.93 117.46 112.90 2jun n PHE 121 Ca -0.02 -2.91 -0.32 0.00 1.01 0.00 0.00 57.45 55.21 2jun n PHE 121 Cb 0.24 -1.37 -0.14 0.00 -0.01 0.00 0.00 39.48 38.21 2jun n PHE 121 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2jun n ASP 123 N 2.54 3.12 -0.07 0.00 2.03 -1.26 -4.84 116.55 118.07 2jun n ASP 123 Ca -0.17 -3.11 -0.21 0.00 0.52 0.00 0.00 54.79 51.82 2jun n ASP 123 Cb 0.52 -0.47 -0.12 0.00 -0.72 0.00 0.00 41.12 40.33 2jun n ASP 123 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 2jun h GLN 124 N 2.67 0.08 -4.82 -0.67 4.20 -1.96 -3.49 115.11 111.12 2jun h GLN 124 Ca 0.10 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2jun h GLN 124 Cb 1.16 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.99 2jun h GLN 124 CO 0.61 1.06 -0.65 -0.25 -0.67 0.00 0.00 178.83 178.93 2jun n ASP 125 N -4.22 -6.98 -4.77 1.46 9.92 -1.26 -4.78 116.55 105.92 2jun n ASP 125 Ca -0.29 0.88 -0.32 0.00 -0.53 0.00 0.00 54.79 54.52 2jun n ASP 125 Cb 0.76 -4.62 0.06 0.00 -0.64 0.00 0.00 41.12 36.68 2jun n ASP 125 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2jun s PRO 126 N -1.77 2.60 0.86 -0.24 0.04 -1.26 -5.16 135.00 130.08 2jun s PRO 126 Ca 0.09 1.31 -0.13 0.00 0.04 0.00 0.00 61.00 62.30 2jun s PRO 126 Cb -0.02 -1.93 0.12 0.00 0.04 0.00 0.00 34.50 32.71 2jun s PRO 126 CO 0.65 -1.39 1.23 0.00 0.04 0.00 0.00 177.00 177.52 2jun s ALA 127 N -2.55 2.51 0.66 8.56 0.00 -1.26 -4.97 121.76 124.71 2jun s ALA 127 Ca 0.65 -0.85 0.06 0.00 0.00 0.00 0.00 51.96 51.81 2jun s ALA 127 Cb -0.19 -2.89 0.12 0.00 0.00 0.00 0.00 23.12 20.16 2jun s ALA 127 CO 0.47 -1.95 0.91 0.94 0.00 0.00 0.00 175.76 176.13 2jun n GLN 128 N -3.47 0.28 -4.81 0.00 7.27 -1.26 -4.96 117.38 110.43 2jun n GLN 128 Ca 0.11 -3.04 -0.33 0.00 0.07 0.00 0.00 57.00 53.81 2jun n GLN 128 Cb 0.60 -0.43 -0.13 0.00 2.41 0.00 0.00 30.24 32.70 2jun n GLN 128 CO 0.00 0.00 0.00 0.16 0.07 0.00 0.00 177.06 177.29 2jun s ASP 129 N -4.91 4.13 -0.12 1.69 -4.77 -1.26 -0.52 116.67 110.92 2jun s ASP 129 Ca 0.65 -0.19 -0.29 0.00 -3.30 0.00 0.00 52.55 49.42 2jun s ASP 129 Cb -0.05 -0.89 -0.03 0.00 -1.09 0.00 0.00 42.92 40.87 2jun s ASP 129 CO 0.42 0.34 1.32 0.00 0.70 0.00 0.00 175.17 177.95 2jun s ALA 130 N -0.78 3.62 -0.03 2.11 0.00 -1.10 -4.50 121.76 121.09 2jun s ALA 130 Ca 0.12 0.59 0.11 0.00 0.00 0.00 0.00 51.96 52.78 2jun s ALA 130 Cb -0.11 -3.62 -0.16 0.00 0.00 0.00 0.00 23.12 19.23 2jun s ALA 130 CO 0.01 -1.11 0.21 1.33 0.00 0.00 0.00 175.76 176.20 2jun n VAL 131 N 5.20 0.09 -4.52 0.00 0.24 -1.17 -4.72 118.33 113.45 2jun n VAL 131 Ca 0.14 -0.27 -0.24 0.00 -2.04 0.00 0.00 64.34 61.92 2jun n VAL 131 Cb 0.45 0.13 -0.11 0.00 -1.47 0.00 0.00 33.84 32.84 2jun n VAL 131 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2jun s LYS 132 N -2.69 1.76 -0.21 7.34 1.02 -1.10 -4.57 119.74 121.28 2jun s LYS 132 Ca -0.04 -1.95 -0.11 0.00 0.02 0.00 0.00 55.97 53.88 2jun s LYS 132 Cb 0.06 -1.34 0.07 0.00 -0.52 0.00 0.00 37.83 36.10 2jun s LYS 132 CO 0.45 -0.03 0.51 0.99 -0.92 0.00 0.00 175.35 176.35 2jun s THR 133 N -2.91 -0.02 -0.21 2.17 2.01 -1.26 -2.50 115.64 112.91 2jun s THR 133 Ca 0.34 0.06 -0.15 0.00 0.31 0.00 0.00 61.69 62.25 2jun s THR 133 Cb 0.07 -0.74 -0.04 0.00 0.01 0.00 0.00 72.50 71.79 2jun s THR 133 CO 0.16 0.03 0.35 0.00 -0.69 0.00 0.00 174.62 174.46 2jun h VAL 135 N 5.02 1.34 0.00 0.00 -1.51 -1.76 -0.30 116.25 119.05 2jun h VAL 135 Ca -0.37 -2.08 -0.01 0.00 -1.23 0.00 0.00 66.70 63.01 2jun h VAL 135 Cb 1.16 2.07 -0.00 0.00 -2.13 0.00 0.00 31.29 32.39 2jun h VAL 135 CO 0.71 0.64 -0.04 0.74 -1.23 0.00 0.00 177.57 178.39 2jun h THR 136 N 0.38 0.11 0.00 7.19 2.02 -1.94 -2.47 112.91 118.20 2jun h THR 136 Ca -0.04 -0.55 -0.19 0.00 0.77 0.00 0.00 66.41 66.40 2jun h THR 136 Cb 1.35 1.49 -0.04 0.00 -1.74 0.00 0.00 68.15 69.22 2jun h THR 136 CO 0.14 0.04 -1.92 0.00 0.37 0.00 0.00 175.52 174.15 2jun n GLU 138 N -2.66 -3.57 -3.92 0.00 2.13 -0.13 -5.01 120.64 107.48 2jun n GLU 138 Ca -0.16 0.62 -0.09 0.00 0.66 0.00 0.00 57.16 58.18 2jun n GLU 138 Cb 0.88 -4.89 -0.09 0.00 0.27 0.00 0.00 31.44 27.61 2jun n GLU 138 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2jun s VAL 139 N -3.00 0.13 -0.20 6.31 1.01 -1.14 -5.06 120.40 118.45 2jun s VAL 139 Ca 0.23 -1.07 -0.04 0.00 0.00 0.00 0.00 61.98 61.10 2jun s VAL 139 Cb -0.10 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 2jun s VAL 139 CO 0.28 -0.59 -0.05 -0.55 0.00 0.00 0.00 175.10 174.19 2jun s SER 140 N -2.13 4.38 0.36 3.32 0.15 -1.26 -2.56 113.70 115.97 2jun s SER 140 Ca -0.05 -0.34 0.06 0.00 0.70 0.00 0.00 55.95 56.32 2jun s SER 140 Cb -0.01 -1.74 -0.02 0.00 -1.71 0.00 0.00 66.02 62.54 2jun s SER 140 CO -0.05 0.03 0.21 -1.22 1.20 0.00 0.00 173.24 173.41 2jun n TYR 141 N 4.48 -0.33 -2.96 3.44 4.01 -1.04 -4.64 117.16 120.12 2jun n TYR 141 Ca -0.18 -2.67 -0.18 0.00 -0.16 0.00 0.00 57.90 54.71 2jun n TYR 141 Cb 0.51 0.14 0.02 0.00 -0.31 0.00 0.00 39.34 39.70 2jun n TYR 141 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2jun h ASP 143 N 0.52 0.96 0.07 0.00 3.58 -1.92 0.14 116.42 119.77 2jun h ASP 143 Ca -0.40 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.04 2jun h ASP 143 Cb 1.28 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 42.09 2jun h ASP 143 CO 0.46 0.68 -0.21 -0.08 -2.88 0.00 0.00 179.24 177.20 2jun h GLU 144 N 1.13 -0.30 -0.74 0.28 4.22 -1.95 0.15 114.58 117.36 2jun h GLU 144 Ca 0.33 0.02 0.04 0.00 0.08 0.00 0.00 59.36 59.83 2jun h GLU 144 Cb -0.06 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 2jun h GLU 144 CO -0.09 -0.20 0.47 0.00 -2.18 0.00 0.00 179.01 177.00 2jun h LEU 146 N 0.90 0.00 0.07 0.00 5.85 -0.12 0.23 115.31 122.23 2jun h LEU 146 Ca 0.30 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.83 2jun h LEU 146 Cb 0.04 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.09 2jun h LEU 146 CO -0.12 0.00 -0.81 0.50 -0.34 0.00 0.00 178.44 177.67 2jun h LYS 147 N 0.00 0.43 -0.26 1.25 3.64 0.13 0.12 116.57 121.89 2jun h LYS 147 Ca 0.27 -0.55 -0.15 0.00 -1.27 0.00 0.00 60.65 58.94 2jun h LYS 147 Cb 1.37 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 33.36 2jun h LYS 147 CO -0.00 1.21 -0.46 0.00 -2.27 0.00 0.00 179.45 177.93 2jun h ALA 148 N 0.24 0.70 0.01 5.00 0.00 -0.65 -3.18 119.26 121.39 2jun h ALA 148 Ca -0.12 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.30 2jun h ALA 148 Cb 1.55 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.24 2jun h ALA 148 CO 0.16 0.67 -0.08 1.79 0.00 0.00 0.00 179.25 181.79 2jun h THR 149 N 0.54 1.77 -3.55 0.00 1.35 -0.79 -3.41 112.91 108.83 2jun h THR 149 Ca 0.03 -2.37 -0.72 0.00 -0.55 0.00 0.00 66.41 62.80 2jun h THR 149 Cb 1.01 3.38 -0.33 0.00 -1.73 0.00 0.00 68.15 70.48 2jun h THR 149 CO 0.09 0.62 -0.17 -1.00 -0.25 0.00 0.00 175.52 174.81 2jun s HIS 150 N -2.24 3.63 0.08 4.73 3.76 0.43 -5.07 115.29 120.61 2jun s HIS 150 Ca -0.19 -2.66 -0.01 0.00 -0.15 0.00 0.00 55.06 52.05 2jun s HIS 150 Cb -0.03 -3.36 0.02 0.00 1.11 0.00 0.00 32.58 30.33 2jun s HIS 150 CO 0.70 -0.85 0.07 -0.35 -0.85 0.00 0.00 174.74 173.47 2jun n PRO 151 N 3.24 -1.16 -4.17 8.40 -0.04 -1.20 -4.39 135.00 135.69 2jun n PRO 151 Ca 0.13 -0.11 -0.25 0.00 -0.04 0.00 0.00 63.50 63.22 2jun n PRO 151 Cb 0.39 -0.11 -0.17 0.00 -0.04 0.00 0.00 33.50 33.58 2jun n PRO 151 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2jun s ASN 152 N -1.70 1.94 0.00 3.54 -0.87 -1.26 -4.26 114.94 112.33 2jun s ASN 152 Ca 0.05 -0.29 0.00 0.00 -1.57 0.00 0.00 52.86 51.05 2jun s ASN 152 Cb -0.00 -0.80 0.00 0.00 -0.02 0.00 0.00 41.25 40.42 2jun s ASN 152 CO 0.04 -0.06 0.00 1.17 -2.57 0.00 0.00 177.10 175.68 2jun n LYS 153 N 4.47 0.00 -1.86 -0.60 4.81 -1.26 -5.05 118.16 118.67 2jun n LYS 153 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.27 2jun n LYS 153 Cb 0.51 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.56 2jun n LYS 153 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2jun n LYS 154 N -0.28 -4.18 0.00 1.64 0.00 -1.26 -4.99 118.16 109.09 2jun n LYS 154 Ca 0.00 3.10 0.00 0.00 0.00 0.00 0.00 58.31 61.41 2jun n LYS 154 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 35.03 31.53 2jun n LYS 154 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2jun n PRO 155 N 1.44 -0.20 -2.20 1.64 -0.04 -1.26 -5.00 135.00 129.38 2jun n PRO 155 Ca 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.36 2jun n PRO 155 Cb 0.00 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2jun n PRO 155 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2jun n PHE 156 N -1.70 -0.48 -1.99 0.54 -0.00 -1.26 -4.86 117.46 107.71 2jun n PHE 156 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.45 57.46 2jun n PHE 156 Cb 0.00 -2.38 0.00 0.00 -0.00 0.00 0.00 39.48 37.10 2jun n PHE 156 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.76 174.39 2jun n THR 157 N -4.00 0.00 -1.67 -2.13 5.66 -1.26 -3.89 114.28 106.99 2jun n THR 157 Ca -0.11 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 60.94 2jun n THR 157 Cb 0.59 0.19 0.08 0.00 -1.55 0.00 0.00 70.33 69.64 2jun n THR 157 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2jun n GLY 158 N 0.00 2.70 3.63 1.09 0.00 -1.26 -4.91 105.19 106.44 2jun n GLY 158 Ca 0.00 -0.67 -0.49 0.00 0.00 0.00 0.00 46.02 44.86 2jun n GLY 158 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2jun n HIS 159 N -0.60 1.83 -1.67 1.61 8.25 -1.26 -4.83 115.22 118.55 2jun n HIS 159 Ca 0.09 0.49 -0.47 0.00 -0.26 0.00 0.00 57.72 57.57 2jun n HIS 159 Cb 0.73 -2.41 -0.04 0.00 1.12 0.00 0.00 29.99 29.38 2jun n HIS 159 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2jun n ARG 160 N 2.64 2.08 -3.68 -0.41 1.74 -1.26 -4.97 116.66 112.80 2jun n ARG 160 Ca 0.16 0.75 -0.17 0.00 -0.77 0.00 0.00 57.85 57.83 2jun n ARG 160 Cb 0.25 -2.54 -0.16 0.00 -1.02 0.00 0.00 32.46 28.99 2jun n ARG 160 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2jun s LEU 161 N 1.93 0.10 -0.05 0.55 1.43 -1.26 -2.28 118.68 119.10 2jun s LEU 161 Ca 0.84 0.27 -0.36 0.00 -1.03 0.00 0.00 54.13 53.85 2jun s LEU 161 Cb -0.71 0.19 -0.14 0.00 0.03 0.00 0.00 46.19 45.56 2jun s LEU 161 CO 0.43 -0.23 1.65 -0.38 0.23 0.00 0.00 176.35 178.05 2jun n ILE 162 N 5.15 0.24 -3.21 -0.59 5.41 -1.23 -2.79 119.36 122.35 2jun n ILE 162 Ca -0.08 -0.04 -0.07 0.00 1.00 0.00 0.00 62.75 63.56 2jun n ILE 162 Cb 0.50 -1.37 0.00 0.00 -0.71 0.00 0.00 39.64 38.06 2jun n ILE 162 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 2jun n GLU 163 N 4.63 -1.47 -0.21 0.38 2.13 -1.26 -4.83 120.64 120.01 2jun n GLU 163 Ca 0.21 1.39 -0.06 0.00 0.66 0.00 0.00 57.16 59.36 2jun n GLU 163 Cb 0.22 -4.91 0.05 0.00 0.27 0.00 0.00 31.44 27.07 2jun n GLU 163 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 2jun n PRO 164 N -1.80 -1.45 -1.12 5.31 -0.04 -1.12 -4.97 135.00 129.82 2jun n PRO 164 Ca -0.06 -0.35 -0.35 0.00 -0.04 0.00 0.00 63.50 62.70 2jun n PRO 164 Cb 0.54 -0.32 0.09 0.00 -0.04 0.00 0.00 33.50 33.77 2jun n PRO 164 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2jun n ILE 165 N -2.98 1.24 -0.82 0.52 -5.35 -1.26 -4.97 119.36 105.74 2jun n ILE 165 Ca 0.03 -0.33 -0.17 0.00 -0.27 0.00 0.00 62.75 62.00 2jun n ILE 165 Cb 0.12 -0.71 0.15 0.00 -1.74 0.00 0.00 39.64 37.46 2jun n ILE 165 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 2jun n PRO 166 N -1.03 -2.26 0.01 6.28 -0.04 -1.26 -5.05 135.00 131.65 2jun n PRO 166 Ca 0.09 -1.02 0.00 0.00 -0.04 0.00 0.00 63.50 62.53 2jun n PRO 166 Cb 0.51 -0.95 0.00 0.00 -0.04 0.00 0.00 33.50 33.02 2jun n PRO 166 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2jun n ASP 167 N -4.09 0.20 0.00 3.54 9.92 -1.26 -4.95 116.55 119.91 2jun n ASP 167 Ca 0.09 0.03 0.00 0.00 -0.53 0.00 0.00 54.79 54.37 2jun n ASP 167 Cb 0.34 -0.06 0.00 0.00 -0.64 0.00 0.00 41.12 40.76 2jun n ASP 167 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2jun n SER 168 N -3.08 0.00 0.00 -2.24 7.64 -1.26 -5.07 113.62 109.61 2jun n SER 168 Ca 0.00 0.37 0.00 0.00 1.01 0.00 0.00 58.87 60.25 2jun n SER 168 Cb 0.40 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 2jun n SER 168 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2jun n HIS 169 N -1.89 -1.31 -2.94 1.43 -0.00 -1.26 -5.05 115.22 104.20 2jun n HIS 169 Ca 0.00 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 58.03 2jun n HIS 169 Cb 0.00 0.26 0.00 0.00 -0.12 0.00 0.00 29.99 30.13 2jun n HIS 169 CO 0.00 0.00 0.00 0.44 0.46 0.00 0.00 176.34 177.24 2jun n ILE 170 N -2.00 -0.27 -2.57 3.57 -5.35 -1.26 -4.91 119.36 106.57 2jun n ILE 170 Ca 0.00 -2.60 -0.15 0.00 -0.27 0.00 0.00 62.75 59.74 2jun n ILE 170 Cb 0.00 0.11 0.02 0.00 -1.74 0.00 0.00 39.64 38.03 2jun n ILE 170 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 2jun n ARG 171 N 1.41 2.18 -0.16 6.28 1.85 -1.26 -5.11 116.66 121.85 2jun n ARG 171 Ca 0.14 -3.77 0.02 0.00 -1.00 0.00 0.00 57.85 53.25 2jun n ARG 171 Cb 0.60 -1.71 -0.01 0.00 -1.05 0.00 0.00 32.46 30.29 2jun n ARG 171 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2jun n GLY 172 N -0.34 -2.42 3.27 2.89 0.00 -1.26 -5.02 105.19 102.32 2jun n GLY 172 Ca 0.21 -1.43 -0.21 0.00 0.00 0.00 0.00 46.02 44.59 2jun n GLY 172 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jun s LEU 173 N -4.73 2.35 0.42 0.99 1.43 -1.26 -4.91 118.68 112.97 2jun s LEU 173 Ca 0.00 -0.75 0.08 0.00 -1.03 0.00 0.00 54.13 52.43 2jun s LEU 173 Cb 0.00 -0.75 -0.03 0.00 0.03 0.00 0.00 46.19 45.44 2jun s LEU 173 CO 0.00 -0.03 0.34 -0.32 0.23 0.00 0.00 176.35 176.57 2jun s MET 174 N -2.28 2.47 1.02 1.70 1.75 -1.26 -4.14 119.30 118.56 2jun s MET 174 Ca 0.08 -1.60 -0.17 0.00 -1.25 0.00 0.00 55.69 52.75 2jun s MET 174 Cb -0.08 -2.29 0.23 0.00 2.84 0.00 0.00 34.83 35.53 2jun s MET 174 CO 0.04 -0.18 1.32 0.00 -0.65 0.00 0.00 175.02 175.55 2jun h LEU 176 N -1.88 -1.03 -4.83 0.00 3.38 -1.97 -3.37 115.31 105.62 2jun h LEU 176 Ca -0.44 0.04 -0.45 0.00 0.09 0.00 0.00 57.88 57.13 2jun h LEU 176 Cb 1.22 0.28 -0.41 0.00 0.09 0.00 0.00 40.66 41.84 2jun h LEU 176 CO 0.32 -0.70 -1.02 1.21 0.09 0.00 0.00 178.44 178.34 2jun n GLU 177 N -5.17 2.01 -3.41 1.13 2.13 -1.26 -4.95 120.64 111.12 2jun n GLU 177 Ca -0.14 -3.73 -0.27 0.00 0.66 0.00 0.00 57.16 53.68 2jun n GLU 177 Cb 0.46 -1.63 -0.10 0.00 0.27 0.00 0.00 31.44 30.44 2jun n GLU 177 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2jun n HIS 178 N -0.21 -0.82 0.09 4.31 8.25 -1.26 -4.95 115.22 120.63 2jun n HIS 178 Ca 0.20 -3.33 -0.13 0.00 -0.26 0.00 0.00 57.72 54.20 2jun n HIS 178 Cb 0.76 0.24 -0.12 0.00 1.12 0.00 0.00 29.99 31.99 2jun n HIS 178 CO 0.00 0.00 0.00 1.05 0.64 0.00 0.00 176.34 178.03 2jun h GLU 179 N 5.62 0.21 0.00 -0.41 -0.00 -1.92 -3.22 114.58 114.87 2jun h GLU 179 Ca 0.27 -0.34 -0.03 0.00 -0.00 0.00 0.00 59.36 59.26 2jun h GLU 179 Cb 0.91 0.12 -0.00 0.00 -0.00 0.00 0.00 28.75 29.78 2jun h GLU 179 CO 0.38 1.14 -0.12 0.22 -0.00 0.00 0.00 179.01 180.63 2jun h ASP 180 N 0.07 0.00 -3.30 3.06 3.58 -2.02 -3.40 116.42 114.41 2jun h ASP 180 Ca -0.10 0.00 -0.55 0.00 0.42 0.00 0.00 57.03 56.81 2jun h ASP 180 Cb 1.86 0.00 -0.38 0.00 1.72 0.00 0.00 39.33 42.54 2jun h ASP 180 CO 0.18 0.12 -0.79 -0.70 -2.88 0.00 0.00 179.24 175.17 2jun s GLU 181 N -3.79 1.41 0.77 0.28 -6.30 -1.21 -5.14 118.70 104.72 2jun s GLU 181 Ca -0.00 -0.45 -0.09 0.00 -2.50 0.00 0.00 54.97 51.92 2jun s GLU 181 Cb 0.10 -1.91 0.08 0.00 0.00 0.00 0.00 34.13 32.41 2jun s GLU 181 CO 0.59 -0.41 1.11 0.15 0.02 0.00 0.00 175.26 176.71 2jun s LYS 182 N 1.66 1.95 -0.20 4.30 1.02 -1.26 -4.55 119.74 122.66 2jun s LYS 182 Ca 0.02 -0.15 -0.29 0.00 0.02 0.00 0.00 55.97 55.56 2jun s LYS 182 Cb -0.15 -2.06 0.00 0.00 -0.52 0.00 0.00 37.83 35.11 2jun s LYS 182 CO -0.08 -1.49 1.04 0.14 -0.92 0.00 0.00 175.35 174.04 2jun s VAL 183 N -3.43 4.70 -0.04 3.17 -7.23 -1.26 -4.55 120.40 111.75 2jun s VAL 183 Ca 0.62 2.03 0.09 0.00 -1.81 0.00 0.00 61.98 62.91 2jun s VAL 183 Cb -0.10 -4.31 0.17 0.00 0.56 0.00 0.00 36.38 32.70 2jun s VAL 183 CO 0.47 -0.14 1.08 0.59 -0.31 0.00 0.00 175.10 176.79 2jun n ASN 184 N 6.03 0.79 -3.88 4.85 4.13 -0.60 -4.90 115.26 121.69 2jun n ASN 184 Ca 0.11 -2.36 -0.15 0.00 1.68 0.00 0.00 54.58 53.86 2jun n ASN 184 Cb 0.47 -0.29 -0.09 0.00 -1.54 0.00 0.00 39.78 38.32 2jun n ASN 184 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 2jun s MET 185 N -0.83 1.42 -0.01 3.52 -1.94 0.86 -4.85 119.30 117.46 2jun s MET 185 Ca 0.15 -1.78 0.00 0.00 -1.71 0.00 0.00 55.69 52.35 2jun s MET 185 Cb 0.15 0.28 0.02 0.00 2.01 0.00 0.00 34.83 37.29 2jun s MET 185 CO -0.03 -0.49 0.01 -0.47 -0.01 0.00 0.00 175.02 174.03 2jun s TYR 186 N -3.88 0.05 -0.13 -0.03 6.14 -1.26 -0.58 117.35 117.66 2jun s TYR 186 Ca 0.40 0.06 -0.05 0.00 0.64 0.00 0.00 57.07 58.12 2jun s TYR 186 Cb 0.05 -0.14 -0.04 0.00 0.42 0.00 0.00 41.96 42.25 2jun s TYR 186 CO 0.18 -0.05 0.04 0.00 0.64 0.00 0.00 175.55 176.36 2jun h VAL 188 N 4.49 1.18 -0.27 0.00 2.07 -1.79 0.24 116.25 122.18 2jun h VAL 188 Ca -0.44 -2.40 0.08 0.00 0.82 0.00 0.00 66.70 64.75 2jun h VAL 188 Cb 1.19 2.83 -0.01 0.00 -1.52 0.00 0.00 31.29 33.77 2jun h VAL 188 CO 0.61 0.66 0.30 0.74 0.02 0.00 0.00 177.57 179.90 2jun h THR 189 N -0.44 0.44 0.00 2.57 2.02 -1.95 -1.60 112.91 113.94 2jun h THR 189 Ca -0.25 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.93 2jun h THR 189 Cb 1.63 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 68.81 2jun h THR 189 CO 0.05 0.00 -1.39 0.47 0.37 0.00 0.00 175.52 175.02 2jun n ASP 190 N -3.78 2.84 -2.06 4.18 8.00 -1.25 -4.71 116.55 119.77 2jun n ASP 190 Ca 0.04 -0.02 -0.17 0.00 0.71 0.00 0.00 54.79 55.34 2jun n ASP 190 Cb 0.44 1.41 -0.00 0.00 -0.02 0.00 0.00 41.12 42.94 2jun n ASP 190 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2jun n ASP 191 N -1.80 -5.09 -4.18 -2.24 2.03 0.81 -4.53 116.55 101.55 2jun n ASP 191 Ca -0.02 -0.06 -0.25 0.00 0.52 0.00 0.00 54.79 54.98 2jun n ASP 191 Cb 0.24 -4.14 -0.08 0.00 -0.72 0.00 0.00 41.12 36.42 2jun n ASP 191 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2jun s GLN 192 N -4.98 1.90 0.18 -0.67 -1.52 -0.88 -4.64 119.66 109.05 2jun s GLN 192 Ca 0.05 -2.15 -0.09 0.00 -1.95 0.00 0.00 55.36 51.22 2jun s GLN 192 Cb -0.02 -0.66 -0.07 0.00 -0.22 0.00 0.00 33.01 32.04 2jun s GLN 192 CO 0.06 -0.44 0.49 -0.51 -0.25 0.00 0.00 175.29 174.63 2jun s LEU 193 N -3.60 4.24 0.32 2.90 1.43 -1.26 -0.30 118.68 122.41 2jun s LEU 193 Ca 0.25 0.84 0.00 0.00 -1.03 0.00 0.00 54.13 54.19 2jun s LEU 193 Cb 0.03 -3.45 -0.01 0.00 0.03 0.00 0.00 46.19 42.79 2jun s LEU 193 CO 0.14 0.01 0.38 0.27 0.23 0.00 0.00 176.35 177.39 2jun s ILE 194 N -1.68 0.00 0.11 -0.59 -4.36 0.25 -4.70 121.20 110.23 2jun s ILE 194 Ca 0.43 -1.74 0.07 0.00 -0.26 0.00 0.00 60.65 59.14 2jun s ILE 194 Cb -0.12 -2.56 -0.04 0.00 1.25 0.00 0.00 42.46 40.99 2jun s ILE 194 CO 0.21 0.00 -0.09 0.00 0.24 0.00 0.00 174.94 175.31 2jun h ALA 196 N 3.50 2.26 0.00 0.00 0.00 -1.89 0.23 119.26 123.36 2jun h ALA 196 Ca -0.49 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 2jun h ALA 196 Cb 1.17 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2jun h ALA 196 CO 0.53 -0.45 -0.06 1.25 0.00 0.00 0.00 179.25 180.52 2jun h LEU 197 N 0.00 0.00 0.24 0.00 5.85 -1.95 -0.66 115.31 118.79 2jun h LEU 197 Ca 0.17 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.56 2jun h LEU 197 Cb 0.71 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.77 2jun h LEU 197 CO -0.00 0.06 -1.45 0.00 -0.34 0.00 0.00 178.44 176.71 2jun h LYS 199 N 0.14 0.00 0.05 0.00 3.64 -1.28 -2.42 116.57 116.69 2jun h LYS 199 Ca -0.24 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.14 2jun h LYS 199 Cb 2.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.96 2jun h LYS 199 CO 0.27 0.36 -0.02 1.25 -2.27 0.00 0.00 179.45 179.03 2jun h LEU 200 N 0.00 -0.06 -1.07 5.20 5.85 -1.17 -3.31 115.31 120.76 2jun h LEU 200 Ca -0.00 -0.59 0.16 0.00 0.84 0.00 0.00 57.88 58.28 2jun h LEU 200 Cb 0.92 0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.88 2jun h LEU 200 CO 0.05 0.66 0.62 0.58 -0.34 0.00 0.00 178.44 180.01 2jun h VAL 201 N -0.88 0.80 0.00 1.05 2.07 -1.53 -3.46 116.25 114.30 2jun h VAL 201 Ca -0.01 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.23 2jun h VAL 201 Cb 0.65 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 2jun h VAL 201 CO 0.01 0.15 0.00 0.61 0.02 0.00 0.00 177.57 178.36 2jun n GLY 202 N -1.36 1.40 0.42 2.17 0.00 -1.13 -4.99 105.19 101.71 2jun n GLY 202 Ca 0.21 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.46 2jun n GLY 202 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2jun h ARG 203 N 0.00 0.18 -0.59 1.61 3.08 -1.73 -2.26 114.38 114.67 2jun h ARG 203 Ca 0.00 -0.01 -0.34 0.00 0.07 0.00 0.00 59.98 59.70 2jun h ARG 203 Cb 0.00 -0.04 -0.41 0.00 0.08 0.00 0.00 29.97 29.60 2jun h ARG 203 CO 0.00 0.12 -1.03 0.72 -1.07 0.00 0.00 179.97 178.71 2jun n HIS 204 N -4.40 1.71 0.00 3.04 8.25 -1.01 -4.86 115.22 117.95 2jun n HIS 204 Ca 0.18 -2.24 -0.18 0.00 -0.26 0.00 0.00 57.72 55.22 2jun n HIS 204 Cb 0.80 -0.27 -0.14 0.00 1.12 0.00 0.00 29.99 31.50 2jun n HIS 204 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2jun h ARG 205 N 2.53 0.18 0.00 -0.41 3.08 -1.54 -3.29 114.38 114.93 2jun h ARG 205 Ca 0.01 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.75 2jun h ARG 205 Cb 1.32 0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.49 2jun h ARG 205 CO 0.38 1.15 0.00 -3.47 -1.07 0.00 0.00 179.97 176.96 2jun n ASP 206 N -4.31 0.15 -4.77 7.04 2.03 -1.26 -4.81 116.55 110.61 2jun n ASP 206 Ca -0.13 0.52 -0.38 0.00 0.52 0.00 0.00 54.79 55.32 2jun n ASP 206 Cb 0.69 -0.56 -0.05 0.00 -0.72 0.00 0.00 41.12 40.48 2jun n ASP 206 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2jun s HIS 207 N -3.03 3.62 -0.52 -0.67 3.76 -1.24 -5.00 115.29 112.20 2jun s HIS 207 Ca 0.12 1.76 -0.23 0.00 -0.15 0.00 0.00 55.06 56.56 2jun s HIS 207 Cb 0.16 -3.04 0.04 0.00 1.11 0.00 0.00 32.58 30.85 2jun s HIS 207 CO 0.49 -0.08 0.83 -1.14 -0.85 0.00 0.00 174.74 173.99 2jun s GLN 208 N -1.92 3.29 0.47 1.40 0.74 -1.26 -5.00 119.66 117.37 2jun s GLN 208 Ca 0.50 -0.41 0.06 0.00 0.05 0.00 0.00 55.36 55.56 2jun s GLN 208 Cb -0.23 -4.05 -0.01 0.00 1.10 0.00 0.00 33.01 29.82 2jun s GLN 208 CO 0.29 -1.36 0.28 0.14 -0.55 0.00 0.00 175.29 174.09 2jun s VAL 209 N 3.49 2.04 -0.12 1.34 -7.23 -1.26 -2.56 120.40 116.10 2jun s VAL 209 Ca 0.26 -1.59 0.03 0.00 -1.81 0.00 0.00 61.98 58.87 2jun s VAL 209 Cb -0.14 -2.63 0.01 0.00 0.56 0.00 0.00 36.38 34.17 2jun s VAL 209 CO 0.18 0.00 -0.22 0.00 -0.31 0.00 0.00 175.10 174.75 2jun s ALA 210 N -2.66 2.13 -0.08 1.32 0.00 -1.20 -5.02 121.76 116.25 2jun s ALA 210 Ca 0.37 -0.99 -0.11 0.00 0.00 0.00 0.00 51.96 51.23 2jun s ALA 210 Cb 0.00 -0.89 -0.05 0.00 0.00 0.00 0.00 23.12 22.18 2jun s ALA 210 CO 0.21 0.09 0.27 0.00 0.00 0.00 0.00 175.76 176.34 2jun s ALA 211 N 0.64 3.75 -0.29 0.00 0.00 -1.26 -4.38 121.76 120.22 2jun s ALA 211 Ca -0.12 -0.44 -0.18 0.00 0.00 0.00 0.00 51.96 51.22 2jun s ALA 211 Cb -0.16 -2.21 -0.02 0.00 0.00 0.00 0.00 23.12 20.73 2jun s ALA 211 CO 0.03 0.46 0.52 -0.51 0.00 0.00 0.00 175.76 176.25 2jun s LEU 212 N -0.75 4.14 -0.26 0.00 1.43 -1.26 -5.03 118.68 116.95 2jun s LEU 212 Ca 0.18 0.34 -0.22 0.00 -1.03 0.00 0.00 54.13 53.40 2jun s LEU 212 Cb -0.14 -2.64 0.07 0.00 0.03 0.00 0.00 46.19 43.51 2jun s LEU 212 CO 0.07 -0.36 0.68 -0.94 0.23 0.00 0.00 176.35 176.04 2jun s SER 213 N 1.63 -0.76 0.00 2.29 1.04 -1.26 -5.23 113.70 111.41 2jun s SER 213 Ca 0.20 1.40 0.29 0.00 0.48 0.00 0.00 55.95 58.32 2jun s SER 213 Cb -0.15 1.38 1.73 0.00 0.10 0.00 0.00 66.02 69.08 2jun s SER 213 CO 0.11 -0.24 2.07 1.21 0.98 0.00 0.00 173.24 177.37