#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b6a s VAL 111 N 0.00 5.30 0.49 -0.18 1.01 -1.26 -4.77 120.40 120.99 1b6a s VAL 111 Ca 0.00 -0.59 -0.22 0.00 0.00 0.00 0.00 61.98 61.17 1b6a s VAL 111 Cb 0.00 -3.73 -0.07 0.00 0.00 0.00 0.00 36.38 32.58 1b6a s VAL 111 CO 0.00 -0.09 1.19 -1.58 0.00 0.00 0.00 175.10 174.62 1b6a s GLN 112 N -3.20 3.59 0.72 2.72 2.00 -1.26 -4.93 119.66 119.30 1b6a s GLN 112 Ca 0.35 1.83 -0.06 0.00 -2.00 0.00 0.00 55.36 55.48 1b6a s GLN 112 Cb -0.11 -2.32 0.08 0.00 0.80 0.00 0.00 33.01 31.46 1b6a s GLN 112 CO 0.29 -0.71 1.03 0.95 -0.50 0.00 0.00 175.29 176.34 1b6a s THR 113 N -1.53 2.25 0.09 -0.34 -4.23 -1.26 -5.01 115.64 105.61 1b6a s THR 113 Ca 0.66 -0.31 -0.34 0.00 -1.18 0.00 0.00 61.69 60.52 1b6a s THR 113 Cb -0.30 -2.94 -0.16 0.00 1.34 0.00 0.00 72.50 70.44 1b6a s THR 113 CO 0.36 0.00 1.58 0.44 -0.54 0.00 0.00 174.62 176.46 1b6a h ASP 114 N -0.66 -1.27 -3.72 3.99 5.19 -2.05 -3.12 116.42 114.78 1b6a h ASP 114 Ca -0.43 0.11 -0.63 0.00 -0.62 0.00 0.00 57.03 55.46 1b6a h ASP 114 Cb 1.30 0.43 -0.15 0.00 0.18 0.00 0.00 39.33 41.09 1b6a h ASP 114 CO 0.55 -0.62 -0.34 -2.16 -3.12 0.00 0.00 179.24 173.55 1b6a s PRO 115 N -5.91 4.03 0.12 3.56 0.04 -1.26 -5.05 135.00 130.53 1b6a s PRO 115 Ca -0.18 -0.07 -0.35 0.00 0.04 0.00 0.00 61.00 60.44 1b6a s PRO 115 Cb 0.05 -3.63 -0.16 0.00 0.04 0.00 0.00 34.50 30.80 1b6a s PRO 115 CO 0.61 -0.18 1.24 -2.30 0.04 0.00 0.00 177.00 176.42 1b6a n PRO 116 N 5.02 1.08 0.00 0.56 -0.02 -1.18 -4.85 135.00 135.61 1b6a n PRO 116 Ca -0.11 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1b6a n PRO 116 Cb 0.51 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 1b6a n PRO 116 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1b6a n SER 117 N 2.25 0.00 -4.65 2.55 3.41 -1.26 -4.96 113.62 110.95 1b6a n SER 117 Ca 0.17 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.36 1b6a n SER 117 Cb 0.21 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.12 1b6a n SER 117 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1b6a s VAL 118 N 0.00 4.83 0.41 -3.33 1.01 -1.26 -4.76 120.40 117.29 1b6a s VAL 118 Ca 0.00 1.63 -0.24 0.00 0.00 0.00 0.00 61.98 63.37 1b6a s VAL 118 Cb 0.00 -4.14 -0.11 0.00 0.00 0.00 0.00 36.38 32.13 1b6a s VAL 118 CO 0.00 -0.06 0.97 -2.65 0.00 0.00 0.00 175.10 173.36 1b6a n PRO 119 N 5.85 1.27 -0.10 2.72 -0.02 -1.26 -4.75 135.00 138.72 1b6a n PRO 119 Ca 0.06 0.46 0.06 0.00 -2.02 0.00 0.00 63.50 62.05 1b6a n PRO 119 Cb 0.48 -1.97 0.39 0.00 -0.02 0.00 0.00 33.50 32.38 1b6a n PRO 119 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1b6a h ILE 120 N 1.51 1.05 0.00 4.25 1.08 -1.46 -0.35 117.51 123.60 1b6a h ILE 120 Ca -0.44 -0.22 -0.03 0.00 -0.39 0.00 0.00 64.86 63.78 1b6a h ILE 120 Cb 1.34 0.34 -0.00 0.00 -3.07 0.00 0.00 36.82 35.43 1b6a h ILE 120 CO 0.57 0.12 -0.14 0.00 -0.69 0.00 0.00 178.15 178.01 1b6a h ASP 122 N 0.00 0.00 1.34 0.00 3.32 -1.41 -3.30 116.42 116.37 1b6a h ASP 122 Ca -0.00 -0.06 -0.11 0.00 0.02 0.00 0.00 57.03 56.88 1b6a h ASP 122 Cb 0.42 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 1b6a h ASP 122 CO 0.02 0.03 -0.53 -0.07 -1.72 0.00 0.00 179.24 176.97 1b6a h LEU 123 N 0.00 0.00 -6.45 1.55 3.38 -1.14 -3.11 115.31 109.54 1b6a h LEU 123 Ca 0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 1b6a h LEU 123 Cb 0.86 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.20 1b6a h LEU 123 CO 0.00 0.53 -0.74 -1.22 0.09 0.00 0.00 178.44 177.10 1b6a n TYR 124 N -3.28 2.06 0.27 1.13 4.01 -1.02 -4.80 117.16 115.52 1b6a n TYR 124 Ca 0.01 -3.96 0.13 0.00 -0.16 0.00 0.00 57.90 53.93 1b6a n TYR 124 Cb 0.72 -0.41 0.74 0.00 -0.31 0.00 0.00 39.34 40.08 1b6a n TYR 124 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1b6a h PRO 125 N 4.73 0.00 0.00 -0.72 0.13 -1.75 0.36 132.00 134.75 1b6a h PRO 125 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1b6a h PRO 125 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1b6a h PRO 125 CO 0.66 0.11 0.00 -0.91 -0.23 0.00 0.00 178.00 177.63 1b6a h ASN 126 N 0.00 0.00 0.00 1.44 -0.26 -1.94 -3.47 115.58 111.35 1b6a h ASN 126 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1b6a h ASN 126 Cb 0.35 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.61 1b6a h ASN 126 CO 0.01 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 176.99 1b6a n GLY 127 N 0.18 0.57 3.28 2.83 0.00 0.12 -5.01 105.19 107.15 1b6a n GLY 127 Ca 0.02 -0.55 -0.35 0.00 0.00 0.00 0.00 46.02 45.14 1b6a n GLY 127 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b6a s VAL 128 N -2.00 3.37 0.23 1.61 1.01 -1.26 -5.02 120.40 118.34 1b6a s VAL 128 Ca 0.00 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.29 1b6a s VAL 128 Cb 0.00 -2.66 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 1b6a s VAL 128 CO 0.00 0.23 0.23 -0.36 0.00 0.00 0.00 175.10 175.20 1b6a s PHE 129 N 1.43 3.21 0.32 5.22 0.08 -1.26 -4.91 117.98 122.07 1b6a s PHE 129 Ca 0.03 -0.06 -0.29 0.00 0.12 0.00 0.00 56.93 56.72 1b6a s PHE 129 Cb -0.16 -1.47 -0.11 0.00 -0.57 0.00 0.00 43.02 40.70 1b6a s PHE 129 CO -0.02 0.50 1.55 -2.30 -0.10 0.00 0.00 175.22 174.86 1b6a n PRO 130 N -1.05 2.68 -2.06 0.24 -0.02 -1.26 -4.93 135.00 128.60 1b6a n PRO 130 Ca -0.08 0.95 -0.34 0.00 -2.02 0.00 0.00 63.50 62.00 1b6a n PRO 130 Cb 0.57 -2.71 0.02 0.00 -0.02 0.00 0.00 33.50 31.36 1b6a n PRO 130 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1b6a s LYS 131 N -1.10 3.12 0.00 -0.52 1.02 -1.26 -4.80 119.74 116.21 1b6a s LYS 131 Ca 0.60 1.56 0.00 0.00 0.02 0.00 0.00 55.97 58.15 1b6a s LYS 131 Cb -0.49 -1.98 0.00 0.00 -0.52 0.00 0.00 37.83 34.84 1b6a s LYS 131 CO 0.54 -1.02 0.00 0.41 -0.92 0.00 0.00 175.35 174.36 1b6a n GLY 132 N -0.03 -1.00 3.65 -3.33 0.00 -1.26 -4.98 105.19 98.25 1b6a n GLY 132 Ca 0.11 -1.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 1b6a n GLY 132 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1b6a s GLN 133 N -1.30 4.12 -0.11 1.61 0.74 -0.94 -4.82 119.66 118.96 1b6a s GLN 133 Ca 0.00 1.89 -0.11 0.00 0.05 0.00 0.00 55.36 57.19 1b6a s GLN 133 Cb 0.00 -3.92 -0.05 0.00 1.10 0.00 0.00 33.01 30.15 1b6a s GLN 133 CO 0.00 -0.88 0.24 -1.21 -0.55 0.00 0.00 175.29 172.89 1b6a s GLU 134 N 3.97 3.88 -0.02 1.67 2.02 -1.26 -0.43 118.70 128.52 1b6a s GLU 134 Ca 0.66 0.04 0.02 0.00 0.02 0.00 0.00 54.97 55.72 1b6a s GLU 134 Cb -0.27 -3.29 0.00 0.00 0.10 0.00 0.00 34.13 30.67 1b6a s GLU 134 CO 0.24 0.54 -0.08 0.00 0.02 0.00 0.00 175.26 175.99 1b6a s GLU 136 N 0.11 3.28 0.46 0.00 2.02 -1.26 -1.07 118.70 122.24 1b6a s GLU 136 Ca -0.01 2.09 -0.24 0.00 0.02 0.00 0.00 54.97 56.83 1b6a s GLU 136 Cb -0.07 -2.27 -0.07 0.00 0.10 0.00 0.00 34.13 31.82 1b6a s GLU 136 CO 0.00 -1.03 1.23 0.71 0.02 0.00 0.00 175.26 176.19 1b6a s TYR 137 N -1.38 2.78 -0.54 1.61 2.02 -1.26 -4.80 117.35 115.78 1b6a s TYR 137 Ca 0.70 1.48 0.00 0.00 -0.37 0.00 0.00 57.07 58.88 1b6a s TYR 137 Cb -0.37 -3.52 0.00 0.00 -0.40 0.00 0.00 41.96 37.68 1b6a s TYR 137 CO 0.43 -1.85 0.00 -0.35 -1.57 0.00 0.00 175.55 172.21 1b6a n PRO 138 N -0.39 0.00 0.00 -1.71 -0.04 -1.26 -5.12 135.00 126.48 1b6a n PRO 138 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1b6a n PRO 138 Cb 0.46 -1.03 0.00 0.00 -0.04 0.00 0.00 33.50 32.90 1b6a n PRO 138 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1b6a n GLU 153 N 0.56 0.00 -0.07 0.54 1.02 -1.26 -5.06 120.64 116.37 1b6a n GLU 153 Ca 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.99 1b6a n GLU 153 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.37 1b6a n GLU 153 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1b6a h GLU 154 N 0.00 0.86 -0.00 3.49 4.81 -2.04 -1.90 114.58 119.79 1b6a h GLU 154 Ca 0.00 -0.56 -0.19 0.00 -0.13 0.00 0.00 59.36 58.48 1b6a h GLU 154 Cb 0.00 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1b6a h GLU 154 CO 0.00 1.19 -0.84 0.87 -0.73 0.00 0.00 179.01 179.50 1b6a h LYS 155 N 0.64 0.18 -0.71 1.92 1.57 -1.98 -1.04 116.57 117.14 1b6a h LYS 155 Ca 0.01 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.57 1b6a h LYS 155 Cb 1.17 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.50 1b6a h LYS 155 CO 0.12 0.92 0.32 -0.22 -0.57 0.00 0.00 179.45 180.02 1b6a h LYS 156 N 0.10 1.04 -0.39 3.15 3.64 -1.90 0.30 116.57 122.51 1b6a h LYS 156 Ca -0.04 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.16 1b6a h LYS 156 Cb 1.46 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 33.08 1b6a h LYS 156 CO 0.13 0.83 0.20 0.00 -2.27 0.00 0.00 179.45 178.34 1b6a h ALA 157 N 1.15 0.50 -0.66 5.00 0.00 -1.18 -1.43 119.26 122.65 1b6a h ALA 157 Ca 0.24 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1b6a h ALA 157 Cb 0.16 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1b6a h ALA 157 CO -0.03 0.05 0.13 1.25 0.00 0.00 0.00 179.25 180.66 1b6a h LEU 158 N 0.49 1.00 0.02 0.00 5.85 -0.74 -0.73 115.31 121.20 1b6a h LEU 158 Ca 0.14 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 1b6a h LEU 158 Cb 0.10 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.86 1b6a h LEU 158 CO -0.02 0.98 -0.01 -0.78 -0.34 0.00 0.00 178.44 178.27 1b6a h ASP 159 N 1.00 -0.02 -0.02 1.25 1.82 -0.31 -2.98 116.42 117.15 1b6a h ASP 159 Ca 0.20 -0.04 -0.00 0.00 -0.39 0.00 0.00 57.03 56.80 1b6a h ASP 159 Cb 0.39 0.01 -0.00 0.00 0.68 0.00 0.00 39.33 40.40 1b6a h ASP 159 CO 0.01 0.03 0.01 -0.61 -1.61 0.00 0.00 179.24 177.06 1b6a h GLN 160 N -0.07 0.05 0.00 0.28 5.75 -0.99 -2.40 115.11 117.74 1b6a h GLN 160 Ca -0.00 -0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.46 1b6a h GLN 160 Cb 0.06 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.60 1b6a h GLN 160 CO 0.00 0.05 -0.16 0.00 -2.65 0.00 0.00 178.83 176.08 1b6a h ALA 161 N 1.96 1.40 -0.46 3.38 0.00 -0.97 -2.36 119.26 122.22 1b6a h ALA 161 Ca 0.01 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1b6a h ALA 161 Cb 0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1b6a h ALA 161 CO -0.00 0.19 0.04 0.43 0.00 0.00 0.00 179.25 179.91 1b6a n SER 162 N -3.86 4.74 -0.19 0.00 7.64 -0.91 -4.68 113.62 116.37 1b6a n SER 162 Ca -0.02 -3.05 0.09 0.00 1.01 0.00 0.00 58.87 56.90 1b6a n SER 162 Cb 0.25 -0.64 0.38 0.00 -1.01 0.00 0.00 64.21 63.20 1b6a n SER 162 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1b6a h GLU 163 N 2.80 0.67 -0.18 1.43 4.57 -1.41 -0.34 114.58 122.12 1b6a h GLU 163 Ca 0.05 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 58.11 1b6a h GLU 163 Cb 1.81 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 30.24 1b6a h GLU 163 CO 0.42 0.44 -0.22 0.93 -1.18 0.00 0.00 179.01 179.40 1b6a h GLU 164 N 0.69 0.32 -0.20 1.92 5.08 -1.84 -1.23 114.58 119.32 1b6a h GLU 164 Ca 0.34 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.54 1b6a h GLU 164 Cb 0.42 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 1b6a h GLU 164 CO -0.12 0.53 -0.12 0.82 -1.00 0.00 0.00 179.01 179.11 1b6a h ILE 165 N 0.29 1.32 -0.73 3.13 2.04 -1.44 -2.32 117.51 119.80 1b6a h ILE 165 Ca 0.05 -1.22 -0.06 0.00 1.00 0.00 0.00 64.86 64.64 1b6a h ILE 165 Cb 0.55 1.69 -0.03 0.00 -0.74 0.00 0.00 36.82 38.29 1b6a h ILE 165 CO 0.04 0.37 0.24 -0.50 0.00 0.00 0.00 178.15 178.29 1b6a h TRP 166 N 0.12 1.15 -0.74 1.37 -0.00 -1.20 -1.77 115.95 114.89 1b6a h TRP 166 Ca 0.04 -0.11 -0.01 0.00 -0.00 0.00 0.00 58.89 58.82 1b6a h TRP 166 Cb 0.63 -0.34 -0.04 0.00 -0.00 0.00 0.00 29.16 29.42 1b6a h TRP 166 CO 0.07 0.91 0.44 -0.97 -0.00 0.00 0.00 178.44 178.88 1b6a h ASN 167 N 1.08 0.88 -0.42 -3.49 -1.24 -1.20 0.58 115.58 111.78 1b6a h ASN 167 Ca 0.24 -0.05 -0.07 0.00 0.71 0.00 0.00 56.30 57.12 1b6a h ASN 167 Cb 0.29 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.10 1b6a h ASN 167 CO -0.01 0.69 -0.03 0.44 -1.29 0.00 0.00 177.43 177.23 1b6a h ASP 168 N 1.02 0.75 -0.85 1.15 3.32 -0.77 -0.87 116.42 120.17 1b6a h ASP 168 Ca 0.26 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1b6a h ASP 168 Cb -0.03 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.28 1b6a h ASP 168 CO -0.05 0.89 0.54 -0.26 -1.72 0.00 0.00 179.24 178.64 1b6a h PHE 169 N 0.58 1.08 -0.43 4.55 0.04 -0.93 -2.10 116.94 119.74 1b6a h PHE 169 Ca 0.11 0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.83 1b6a h PHE 169 Cb 0.53 -0.36 -0.02 0.00 2.20 0.00 0.00 35.95 38.29 1b6a h PHE 169 CO 0.04 0.70 -0.03 0.00 -0.60 0.00 0.00 178.31 178.42 1b6a h ARG 170 N 1.15 0.72 -0.44 1.51 3.08 -0.61 0.18 114.38 119.97 1b6a h ARG 170 Ca 0.31 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 1b6a h ARG 170 Cb -0.10 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 1b6a h ARG 170 CO -0.06 0.75 0.19 1.49 -1.07 0.00 0.00 179.97 181.27 1b6a h GLU 171 N 0.67 0.64 -0.41 0.04 4.81 -0.87 -0.37 114.58 119.08 1b6a h GLU 171 Ca 0.13 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.18 1b6a h GLU 171 Cb 0.46 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 1b6a h GLU 171 CO 0.02 0.57 -0.05 0.00 -0.73 0.00 0.00 179.01 178.82 1b6a h ALA 172 N 1.04 1.14 -0.21 2.92 0.00 -1.08 -2.16 119.26 120.91 1b6a h ALA 172 Ca 0.15 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 1b6a h ALA 172 Cb 0.16 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1b6a h ALA 172 CO -0.02 0.55 -0.53 0.00 0.00 0.00 0.00 179.25 179.25 1b6a h ALA 173 N 1.30 0.67 -0.26 0.00 0.00 -0.39 -1.31 119.26 119.27 1b6a h ALA 173 Ca 0.12 -0.50 -0.10 0.00 0.00 0.00 0.00 54.91 54.43 1b6a h ALA 173 Cb 0.47 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1b6a h ALA 173 CO 0.02 0.68 -0.27 1.49 0.00 0.00 0.00 179.25 181.18 1b6a h GLU 174 N 0.48 0.52 -0.44 0.00 4.57 -0.77 0.51 114.58 119.44 1b6a h GLU 174 Ca 0.01 -0.20 0.00 0.00 -1.18 0.00 0.00 59.36 58.00 1b6a h GLU 174 Cb 1.08 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.62 1b6a h GLU 174 CO 0.10 0.74 0.29 0.00 -1.18 0.00 0.00 179.01 178.96 1b6a h ALA 175 N 1.26 0.56 -0.49 2.92 0.00 -1.23 -1.71 119.26 120.57 1b6a h ALA 175 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1b6a h ALA 175 Cb 0.70 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1b6a h ALA 175 CO 0.05 0.01 0.32 1.25 0.00 0.00 0.00 179.25 180.88 1b6a h HIS 176 N 0.60 0.63 -0.44 0.00 -0.00 -0.71 -0.11 115.15 115.11 1b6a h HIS 176 Ca 0.16 0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.55 1b6a h HIS 176 Cb -0.07 -0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 27.11 1b6a h HIS 176 CO -0.05 0.40 0.28 0.00 -0.00 0.00 0.00 177.93 178.57 1b6a h ARG 177 N 0.67 0.56 -0.23 5.26 3.08 -0.74 -0.58 114.38 122.40 1b6a h ARG 177 Ca 0.18 -0.03 -0.17 0.00 0.07 0.00 0.00 59.98 60.03 1b6a h ARG 177 Cb -0.06 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 29.86 1b6a h ARG 177 CO -0.04 0.37 -0.54 1.96 -1.07 0.00 0.00 179.97 180.65 1b6a h GLN 178 N 0.58 0.68 -0.11 0.04 4.20 -1.01 -1.98 115.11 117.51 1b6a h GLN 178 Ca 0.16 -0.43 -0.00 0.00 0.06 0.00 0.00 58.65 58.44 1b6a h GLN 178 Cb -0.05 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.77 1b6a h GLN 178 CO -0.05 1.05 0.05 0.28 -0.67 0.00 0.00 178.83 179.49 1b6a h VAL 179 N 0.53 1.13 -0.17 -0.54 2.07 -0.89 -2.55 116.25 115.82 1b6a h VAL 179 Ca 0.01 -0.37 -0.12 0.00 0.82 0.00 0.00 66.70 67.04 1b6a h VAL 179 Cb 1.11 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1b6a h VAL 179 CO 0.11 0.11 -0.41 0.08 0.02 0.00 0.00 177.57 177.48 1b6a h ARG 180 N 0.04 0.40 -0.71 1.57 0.11 -1.07 0.27 114.38 114.98 1b6a h ARG 180 Ca 0.04 -0.20 0.02 0.00 0.10 0.00 0.00 59.98 59.94 1b6a h ARG 180 Cb 0.14 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.18 1b6a h ARG 180 CO -0.00 0.75 0.45 -0.22 0.10 0.00 0.00 179.97 181.05 1b6a h LYS 181 N 0.33 0.88 -0.14 0.08 3.64 -1.32 -0.83 116.57 119.21 1b6a h LYS 181 Ca 0.03 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1b6a h LYS 181 Cb 0.86 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 1b6a h LYS 181 CO 0.07 0.58 0.08 -0.92 -2.27 0.00 0.00 179.45 176.99 1b6a h TYR 182 N 0.90 0.19 -0.73 1.91 3.20 -0.98 -2.73 116.97 118.73 1b6a h TYR 182 Ca 0.28 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.21 1b6a h TYR 182 Cb -0.03 -0.06 -0.06 0.00 1.54 0.00 0.00 36.73 38.12 1b6a h TYR 182 CO -0.03 0.17 0.42 0.28 -1.64 0.00 0.00 178.16 177.36 1b6a h VAL 183 N 0.15 0.97 0.00 1.81 2.07 -0.65 -1.41 116.25 119.19 1b6a h VAL 183 Ca 0.05 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 1b6a h VAL 183 Cb 0.04 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 29.95 1b6a h VAL 183 CO -0.01 0.14 -0.15 0.24 0.02 0.00 0.00 177.57 177.81 1b6a h MET 184 N 0.76 0.00 0.00 1.57 2.86 -0.97 -0.16 114.93 119.00 1b6a h MET 184 Ca 0.33 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.90 1b6a h MET 184 Cb 0.21 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 1b6a h MET 184 CO -0.19 0.15 -0.31 0.66 1.06 0.00 0.00 176.91 178.28 1b6a h SER 185 N 0.00 0.00 0.00 1.22 4.64 -0.95 -3.37 113.55 115.09 1b6a h SER 185 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1b6a h SER 185 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1b6a h SER 185 CO 0.02 0.31 -0.25 -2.67 -0.87 0.00 0.00 176.83 173.37 1b6a n TRP 186 N -3.51 0.00 -2.09 4.77 4.27 -0.85 -5.03 117.44 114.99 1b6a n TRP 186 Ca -0.00 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.19 1b6a n TRP 186 Cb 0.46 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.38 1b6a n TRP 186 CO 0.00 0.00 0.00 -1.50 -2.29 0.00 0.00 177.69 173.90 1b6a s ILE 187 N -0.98 3.36 0.02 -1.67 2.07 -0.13 -4.96 121.20 118.90 1b6a s ILE 187 Ca 0.00 0.82 -0.10 0.00 -1.41 0.00 0.00 60.65 59.96 1b6a s ILE 187 Cb 0.00 -3.53 0.01 0.00 0.13 0.00 0.00 42.46 39.07 1b6a s ILE 187 CO 0.00 0.01 0.20 -0.54 -1.91 0.00 0.00 174.94 172.70 1b6a s LYS 188 N 2.25 0.63 0.62 3.50 -0.14 -1.26 -5.00 119.74 120.34 1b6a s LYS 188 Ca 0.68 -0.48 -0.19 0.00 -1.36 0.00 0.00 55.97 54.62 1b6a s LYS 188 Cb -0.36 0.27 -0.02 0.00 -1.68 0.00 0.00 37.83 36.04 1b6a s LYS 188 CO 0.29 -0.17 1.28 -1.25 -0.76 0.00 0.00 175.35 174.74 1b6a s PRO 189 N -2.00 2.73 0.00 -1.68 0.04 -1.26 -2.64 135.00 130.18 1b6a s PRO 189 Ca -0.09 2.02 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1b6a s PRO 189 Cb -0.04 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1b6a s PRO 189 CO -0.01 -1.45 0.00 0.41 0.04 0.00 0.00 177.00 175.99 1b6a n GLY 190 N 0.78 2.60 3.78 0.56 0.00 0.22 -4.98 105.19 108.14 1b6a n GLY 190 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 1b6a n GLY 190 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1b6a s MET 191 N -0.07 4.18 0.63 1.61 -1.94 -1.08 -4.79 119.30 117.84 1b6a s MET 191 Ca 0.00 1.48 -0.12 0.00 -1.71 0.00 0.00 55.69 55.33 1b6a s MET 191 Cb 0.00 -2.53 -0.03 0.00 2.01 0.00 0.00 34.83 34.29 1b6a s MET 191 CO 0.00 -0.12 1.04 0.95 -0.01 0.00 0.00 175.02 176.88 1b6a s THR 192 N -1.69 4.34 0.28 2.05 -4.23 -1.26 -1.19 115.64 113.94 1b6a s THR 192 Ca 0.58 0.86 -0.01 0.00 -1.18 0.00 0.00 61.69 61.94 1b6a s THR 192 Cb -0.21 -3.63 0.14 0.00 1.34 0.00 0.00 72.50 70.15 1b6a s THR 192 CO 0.26 -0.90 1.81 0.24 -0.54 0.00 0.00 174.62 175.50 1b6a h MET 193 N -0.16 0.78 -0.32 3.99 0.00 -1.54 -1.63 114.93 116.05 1b6a h MET 193 Ca -0.45 -0.17 0.00 0.00 0.00 0.00 0.00 59.70 59.08 1b6a h MET 193 Cb 1.20 -0.11 -0.02 0.00 0.00 0.00 0.00 31.60 32.67 1b6a h MET 193 CO 0.60 0.74 0.21 0.82 0.00 0.00 0.00 176.91 179.27 1b6a h ILE 194 N 0.75 1.10 -0.87 -1.22 2.04 -1.85 -0.97 117.51 116.49 1b6a h ILE 194 Ca 0.16 -0.21 0.08 0.00 1.00 0.00 0.00 64.86 65.90 1b6a h ILE 194 Cb 0.34 0.65 -0.07 0.00 -0.74 0.00 0.00 36.82 37.00 1b6a h ILE 194 CO 0.01 0.10 0.52 -0.33 0.00 0.00 0.00 178.15 178.45 1b6a h GLU 195 N 0.43 0.88 -0.02 2.37 5.08 -1.81 -0.59 114.58 120.93 1b6a h GLU 195 Ca 0.12 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1b6a h GLU 195 Cb -0.02 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.03 1b6a h GLU 195 CO -0.02 0.58 0.01 0.82 -1.00 0.00 0.00 179.01 179.39 1b6a h ILE 196 N 0.91 1.14 -0.43 3.13 2.04 -1.02 -1.48 117.51 121.79 1b6a h ILE 196 Ca 0.40 -0.40 -0.11 0.00 1.00 0.00 0.00 64.86 65.75 1b6a h ILE 196 Cb 0.29 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 1b6a h ILE 196 CO -0.22 0.11 -0.19 0.00 0.00 0.00 0.00 178.15 177.85 1b6a h GLU 198 N 0.73 0.86 -0.46 0.00 5.08 -1.07 0.26 114.58 120.00 1b6a h GLU 198 Ca 0.11 -0.40 -0.06 0.00 -1.00 0.00 0.00 59.36 58.00 1b6a h GLU 198 Cb 0.71 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 1b6a h GLU 198 CO 0.05 1.05 0.04 -0.22 -1.00 0.00 0.00 179.01 178.93 1b6a h LYS 199 N 0.73 0.78 0.03 2.33 3.64 -1.12 -0.47 116.57 122.48 1b6a h LYS 199 Ca 0.08 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1b6a h LYS 199 Cb 0.86 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1b6a h LYS 199 CO 0.08 0.81 -0.01 1.25 -2.27 0.00 0.00 179.45 179.31 1b6a h LEU 200 N 0.63 -0.03 -0.92 5.20 6.46 -1.18 -2.88 115.31 122.58 1b6a h LEU 200 Ca 0.13 -0.07 -0.08 0.00 -0.12 0.00 0.00 57.88 57.74 1b6a h LEU 200 Cb 0.44 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.36 1b6a h LEU 200 CO 0.02 0.05 -0.10 -0.33 -0.62 0.00 0.00 178.44 177.45 1b6a h GLU 201 N -0.11 0.68 -0.47 1.25 5.08 -0.86 -0.90 114.58 119.25 1b6a h GLU 201 Ca -0.00 -0.21 0.07 0.00 -1.00 0.00 0.00 59.36 58.22 1b6a h GLU 201 Cb 0.10 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.22 1b6a h GLU 201 CO 0.01 0.77 0.11 -0.44 -1.00 0.00 0.00 179.01 178.46 1b6a h ASP 202 N 0.63 0.05 -0.35 1.42 3.32 -1.05 -0.06 116.42 120.38 1b6a h ASP 202 Ca 0.11 0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.20 1b6a h ASP 202 Cb 0.54 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 1b6a h ASP 202 CO 0.03 0.06 0.07 0.00 -1.72 0.00 0.00 179.24 177.68 1b6a h SER 204 N 0.41 0.65 -0.81 0.00 0.02 -0.89 -0.38 113.55 112.56 1b6a h SER 204 Ca 0.11 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.06 1b6a h SER 204 Cb 0.33 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.67 1b6a h SER 204 CO 0.00 0.47 0.53 0.03 -1.14 0.00 0.00 176.83 176.72 1b6a h ARG 205 N 0.78 1.02 -0.28 3.45 3.08 -0.92 -1.04 114.38 120.47 1b6a h ARG 205 Ca 0.22 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.16 1b6a h ARG 205 Cb -0.07 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.74 1b6a h ARG 205 CO -0.06 0.68 -0.01 0.87 -1.07 0.00 0.00 179.97 180.38 1b6a h LYS 206 N 1.05 0.50 -0.08 0.04 1.57 -0.96 -1.82 116.57 116.87 1b6a h LYS 206 Ca 0.31 -0.16 -0.17 0.00 -1.87 0.00 0.00 60.65 58.76 1b6a h LYS 206 Cb -0.06 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1b6a h LYS 206 CO -0.09 0.66 -0.68 -0.07 -0.57 0.00 0.00 179.45 178.70 1b6a h LEU 207 N 0.29 0.41 -0.00 2.94 3.38 -0.91 -2.64 115.31 118.77 1b6a h LEU 207 Ca 0.08 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1b6a h LEU 207 Cb 0.44 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1b6a h LEU 207 CO 0.02 0.97 0.00 0.00 0.09 0.00 0.00 178.44 179.52 1b6a n ILE 208 N -3.85 0.09 -3.30 1.22 0.13 -0.41 -1.24 119.36 112.01 1b6a n ILE 208 Ca -0.04 -0.03 -0.14 0.00 -1.10 0.00 0.00 62.75 61.45 1b6a n ILE 208 Cb 0.68 -0.52 0.04 0.00 -0.84 0.00 0.00 39.64 38.99 1b6a n ILE 208 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 1b6a n LYS 209 N -1.59 -1.74 -1.58 9.51 4.81 -0.99 -4.68 118.16 121.90 1b6a n LYS 209 Ca 0.07 0.98 -0.52 0.00 -0.87 0.00 0.00 58.31 57.97 1b6a n LYS 209 Cb 0.35 -5.32 -0.06 0.00 0.02 0.00 0.00 35.03 30.02 1b6a n LYS 209 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1b6a n GLU 210 N -2.92 1.02 -3.19 1.64 2.13 -0.71 -4.76 120.64 113.84 1b6a n GLU 210 Ca -0.07 0.37 -0.16 0.00 0.66 0.00 0.00 57.16 57.96 1b6a n GLU 210 Cb 0.58 -1.95 -0.06 0.00 0.27 0.00 0.00 31.44 30.28 1b6a n GLU 210 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1b6a s ASN 211 N 0.30 0.39 1.19 4.31 2.47 0.11 -4.97 114.94 118.75 1b6a s ASN 211 Ca 0.82 -2.11 0.00 0.00 0.42 0.00 0.00 52.86 51.99 1b6a s ASN 211 Cb -0.96 0.66 0.00 0.00 -1.45 0.00 0.00 41.25 39.50 1b6a s ASN 211 CO 0.49 -0.16 0.00 0.61 -3.72 0.00 0.00 177.10 174.32 1b6a n GLY 212 N 3.39 3.20 0.74 1.21 0.00 -1.26 -0.97 105.19 111.50 1b6a n GLY 212 Ca 0.20 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.30 1b6a n GLY 212 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1b6a n LEU 213 N 0.00 2.27 0.08 0.99 4.77 -1.26 -4.06 117.00 119.80 1b6a n LEU 213 Ca 0.00 -0.86 0.02 0.00 -0.03 0.00 0.00 56.01 55.14 1b6a n LEU 213 Cb 0.00 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 1b6a n LEU 213 CO 0.00 0.43 0.04 0.78 -1.33 0.00 0.00 177.39 177.31 1b6a h ASN 214 N 3.28 0.00 -3.64 -1.43 2.35 -1.46 -3.40 115.58 111.28 1b6a h ASN 214 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1b6a h ASN 214 Cb 0.71 0.00 -0.22 0.00 0.05 0.00 0.00 38.32 38.85 1b6a h ASN 214 CO 0.00 0.50 -0.03 0.00 -1.65 0.00 0.00 177.43 176.25 1b6a s ALA 215 N -2.97 -1.54 0.00 -0.83 0.00 -1.12 -0.05 121.76 115.24 1b6a s ALA 215 Ca 0.00 1.87 0.00 0.00 0.00 0.00 0.00 51.96 53.83 1b6a s ALA 215 Cb 0.08 -1.09 0.00 0.00 0.00 0.00 0.00 23.12 22.11 1b6a s ALA 215 CO 0.78 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 176.65 1b6a n GLY 216 N 3.31 -0.63 3.69 0.00 0.00 -0.68 -0.71 105.19 110.17 1b6a n GLY 216 Ca -0.16 -0.59 -0.38 0.00 0.00 0.00 0.00 46.02 44.89 1b6a n GLY 216 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1b6a s LEU 217 N 0.00 4.19 0.16 0.99 1.43 -1.26 -1.51 118.68 122.68 1b6a s LEU 217 Ca 0.00 0.63 0.09 0.00 -1.03 0.00 0.00 54.13 53.82 1b6a s LEU 217 Cb 0.00 -2.59 -0.12 0.00 0.03 0.00 0.00 46.19 43.51 1b6a s LEU 217 CO 0.00 -0.07 1.33 0.00 0.23 0.00 0.00 176.35 177.84 1b6a h ALA 218 N 7.18 0.45 -2.47 4.21 0.00 -1.47 -3.46 119.26 123.69 1b6a h ALA 218 Ca -0.37 -0.79 0.09 0.00 0.00 0.00 0.00 54.91 53.84 1b6a h ALA 218 Cb 1.16 -0.14 -0.13 0.00 0.00 0.00 0.00 17.79 18.69 1b6a h ALA 218 CO 0.74 1.09 0.42 -0.59 0.00 0.00 0.00 179.25 180.91 1b6a s PHE 219 N -2.81 -0.33 0.79 0.00 -0.12 -1.26 -3.37 117.98 110.88 1b6a s PHE 219 Ca 0.02 0.13 -0.13 0.00 -0.05 0.00 0.00 56.93 56.90 1b6a s PHE 219 Cb 0.10 0.57 0.07 0.00 -0.63 0.00 0.00 43.02 43.13 1b6a s PHE 219 CO 0.80 -0.70 1.17 -2.14 -0.05 0.00 0.00 175.22 174.31 1b6a s PRO 220 N -3.32 1.80 -0.40 1.99 0.02 -1.26 -4.15 135.00 129.68 1b6a s PRO 220 Ca 0.06 1.62 -0.29 0.00 0.02 0.00 0.00 61.00 62.41 1b6a s PRO 220 Cb -0.01 -1.81 0.01 0.00 0.02 0.00 0.00 34.50 32.71 1b6a s PRO 220 CO -0.07 -2.06 1.32 0.99 -0.33 0.00 0.00 177.00 176.85 1b6a s THR 221 N -2.30 4.03 0.25 0.99 2.01 -1.26 -4.70 115.64 114.66 1b6a s THR 221 Ca 0.70 1.09 -0.30 0.00 0.31 0.00 0.00 61.69 63.49 1b6a s THR 221 Cb -0.26 -4.28 -0.09 0.00 0.01 0.00 0.00 72.50 67.89 1b6a s THR 221 CO 0.50 -0.73 1.06 -0.83 -0.69 0.00 0.00 174.62 173.93 1b6a s GLY 222 N 3.32 3.04 -0.30 4.40 0.00 0.76 -4.48 107.32 114.07 1b6a s GLY 222 Ca 0.57 0.80 0.19 0.00 0.00 0.00 0.00 44.72 46.29 1b6a s GLY 222 CO 0.30 1.45 1.15 0.00 0.00 0.00 0.00 173.10 175.99 1b6a s SER 224 N -3.02 6.40 -0.08 0.00 0.01 -1.08 -4.49 113.70 111.44 1b6a s SER 224 Ca 0.24 2.94 0.01 0.00 1.31 0.00 0.00 55.95 60.45 1b6a s SER 224 Cb 0.39 -2.64 -0.03 0.00 0.21 0.00 0.00 66.02 63.95 1b6a s SER 224 CO -0.03 -0.88 -0.08 -0.76 0.41 0.00 0.00 173.24 171.90 1b6a s LEU 225 N -0.88 3.08 0.00 2.44 1.43 -1.23 -0.98 118.68 122.53 1b6a s LEU 225 Ca 0.60 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.62 1b6a s LEU 225 Cb -0.47 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.08 1b6a s LEU 225 CO 0.51 0.33 0.00 0.59 0.23 0.00 0.00 176.35 178.01 1b6a n ASN 226 N 2.43 0.00 0.15 2.29 3.02 -0.01 -1.06 115.26 122.08 1b6a n ASN 226 Ca -0.18 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.50 1b6a n ASN 226 Cb 0.53 0.00 0.42 0.00 -0.61 0.00 0.00 39.78 40.12 1b6a n ASN 226 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1b6a h ASN 227 N 0.00 0.00 -3.30 6.41 -1.07 -1.76 -1.86 115.58 114.00 1b6a h ASN 227 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 56.30 55.81 1b6a h ASN 227 Cb 0.00 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.20 1b6a h ASN 227 CO 0.00 0.00 0.44 0.00 0.07 0.00 0.00 177.43 177.94 1b6a n ALA 229 N 4.77 1.60 -3.44 0.00 0.00 0.67 -3.55 120.51 120.57 1b6a n ALA 229 Ca 0.06 -1.25 -0.14 0.00 0.00 0.00 0.00 53.44 52.11 1b6a n ALA 229 Cb 0.49 -0.25 -0.04 0.00 0.00 0.00 0.00 19.45 19.65 1b6a n ALA 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b6a s ALA 230 N -2.58 -1.63 -1.22 0.00 0.00 -1.17 -4.85 121.76 110.32 1b6a s ALA 230 Ca -0.10 0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.62 1b6a s ALA 230 Cb 0.07 0.57 0.00 0.00 0.00 0.00 0.00 23.12 23.76 1b6a s ALA 230 CO 0.84 -0.63 0.00 0.72 0.00 0.00 0.00 175.76 176.69 1b6a n HIS 231 N 0.08 -0.45 -3.88 0.00 8.25 -1.26 -0.88 115.22 117.08 1b6a n HIS 231 Ca -0.18 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 56.93 1b6a n HIS 231 Cb 0.62 -2.75 -0.11 0.00 1.12 0.00 0.00 29.99 28.87 1b6a n HIS 231 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1b6a s TYR 232 N -2.62 3.18 0.03 4.41 5.04 -1.26 -3.41 117.35 122.72 1b6a s TYR 232 Ca 0.00 -0.10 0.03 0.00 -2.44 0.00 0.00 57.07 54.55 1b6a s TYR 232 Cb 0.00 -2.17 -0.02 0.00 0.35 0.00 0.00 41.96 40.12 1b6a s TYR 232 CO 0.00 -0.07 -0.08 -0.08 -1.34 0.00 0.00 175.55 173.97 1b6a s THR 233 N 1.00 0.60 0.47 4.34 -1.32 -1.26 -1.33 115.64 118.13 1b6a s THR 233 Ca 0.04 -0.86 -0.24 0.00 -1.21 0.00 0.00 61.69 59.42 1b6a s THR 233 Cb -0.14 -0.61 -0.07 0.00 -1.51 0.00 0.00 72.50 70.17 1b6a s THR 233 CO 0.03 -0.20 1.32 -2.16 -2.21 0.00 0.00 174.62 171.40 1b6a s PRO 234 N -1.16 3.63 0.56 7.08 0.04 -1.26 -4.73 135.00 139.16 1b6a s PRO 234 Ca -0.05 2.17 0.02 0.00 0.04 0.00 0.00 61.00 63.17 1b6a s PRO 234 Cb -0.08 -2.53 0.04 0.00 0.04 0.00 0.00 34.50 31.98 1b6a s PRO 234 CO 0.00 -0.77 0.79 -0.80 0.04 0.00 0.00 177.00 176.26 1b6a s ASN 235 N -0.86 5.18 0.31 6.66 0.01 -1.26 -4.66 114.94 120.32 1b6a s ASN 235 Ca 0.63 -0.09 -0.28 0.00 -0.71 0.00 0.00 52.86 52.41 1b6a s ASN 235 Cb -0.38 -0.74 -0.13 0.00 0.41 0.00 0.00 41.25 40.40 1b6a s ASN 235 CO 0.48 -1.21 1.18 0.00 -1.51 0.00 0.00 177.10 176.03 1b6a n ALA 236 N -2.38 0.62 -0.26 0.60 0.00 -1.26 -2.08 120.51 115.75 1b6a n ALA 236 Ca 0.09 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1b6a n ALA 236 Cb 0.60 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.89 1b6a n ALA 236 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b6a n GLY 237 N 1.05 1.98 3.66 0.00 0.00 -1.26 -5.01 105.19 105.60 1b6a n GLY 237 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1b6a n GLY 237 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1b6a s ASP 238 N -3.44 6.65 -0.01 1.61 -1.08 -0.88 -4.88 116.67 114.63 1b6a s ASP 238 Ca 0.00 2.29 0.19 0.00 -0.52 0.00 0.00 52.55 54.51 1b6a s ASP 238 Cb 0.00 -2.54 0.56 0.00 -1.46 0.00 0.00 42.92 39.48 1b6a s ASP 238 CO 0.00 -0.92 1.46 0.35 0.52 0.00 0.00 175.17 176.58 1b6a n THR 239 N 5.36 0.90 -1.71 1.71 -2.24 -1.26 -4.73 114.28 112.32 1b6a n THR 239 Ca 0.17 -0.85 -0.43 0.00 -2.27 0.00 0.00 64.05 60.67 1b6a n THR 239 Cb 0.42 0.39 -0.03 0.00 -2.10 0.00 0.00 70.33 69.01 1b6a n THR 239 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1b6a n THR 240 N 1.30 0.52 -4.80 4.28 -1.04 -1.26 -4.91 114.28 108.37 1b6a n THR 240 Ca 0.21 -0.13 -0.33 0.00 -2.04 0.00 0.00 64.05 61.76 1b6a n THR 240 Cb 0.55 -1.77 -0.14 0.00 -1.82 0.00 0.00 70.33 67.15 1b6a n THR 240 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1b6a s VAL 241 N 0.48 3.05 0.17 12.58 1.01 -1.26 -1.32 120.40 135.11 1b6a s VAL 241 Ca 0.71 -0.67 -0.32 0.00 0.00 0.00 0.00 61.98 61.70 1b6a s VAL 241 Cb -0.57 -2.26 -0.10 0.00 0.00 0.00 0.00 36.38 33.44 1b6a s VAL 241 CO 0.42 0.54 1.58 -0.22 0.00 0.00 0.00 175.10 177.42 1b6a s LEU 242 N 0.15 4.37 0.30 3.92 2.96 -0.33 -4.88 118.68 125.17 1b6a s LEU 242 Ca -0.07 2.65 0.08 0.00 -0.22 0.00 0.00 54.13 56.57 1b6a s LEU 242 Cb -0.15 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 1b6a s LEU 242 CO 0.05 -0.84 0.18 -1.10 -1.32 0.00 0.00 176.35 173.32 1b6a s GLN 243 N 1.08 2.64 0.23 1.98 -1.52 -1.26 -0.61 119.66 122.19 1b6a s GLN 243 Ca 0.70 -1.30 -0.07 0.00 -1.95 0.00 0.00 55.36 52.75 1b6a s GLN 243 Cb -0.44 -2.38 0.29 0.00 -0.22 0.00 0.00 33.01 30.25 1b6a s GLN 243 CO 0.32 0.24 1.86 -0.92 -0.25 0.00 0.00 175.29 176.54 1b6a h TYR 244 N 1.50 0.98 -0.13 0.91 3.20 -1.95 -1.35 116.97 120.13 1b6a h TYR 244 Ca -0.46 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.44 1b6a h TYR 244 Cb 1.25 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 39.20 1b6a h TYR 244 CO 0.58 0.53 0.00 -0.25 -1.64 0.00 0.00 178.16 177.38 1b6a n ASP 245 N -4.60 1.08 -4.80 -2.11 8.00 -1.26 -3.66 116.55 109.19 1b6a n ASP 245 Ca 0.11 -1.69 -0.33 0.00 0.71 0.00 0.00 54.79 53.58 1b6a n ASP 245 Cb 0.13 -0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 41.12 1b6a n ASP 245 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1b6a s ASP 246 N -1.44 6.25 -0.26 -2.24 1.01 -0.51 -4.98 116.67 114.51 1b6a s ASP 246 Ca 0.27 1.86 0.01 0.00 0.71 0.00 0.00 52.55 55.40 1b6a s ASP 246 Cb 0.14 -2.55 0.05 0.00 1.01 0.00 0.00 42.92 41.56 1b6a s ASP 246 CO 0.21 -0.84 -0.08 -0.51 0.21 0.00 0.00 175.17 174.15 1b6a s ILE 247 N -2.15 2.51 -0.16 0.77 2.07 -1.26 -4.36 121.20 118.61 1b6a s ILE 247 Ca 0.65 -1.36 -0.00 0.00 -1.41 0.00 0.00 60.65 58.53 1b6a s ILE 247 Cb -0.15 -2.37 -0.00 0.00 0.13 0.00 0.00 42.46 40.06 1b6a s ILE 247 CO 0.25 0.07 -0.14 0.00 -1.91 0.00 0.00 174.94 173.20 1b6a s LYS 249 N 0.89 3.44 -0.41 0.00 3.01 -0.15 -0.13 119.74 126.39 1b6a s LYS 249 Ca -0.04 -0.47 -0.18 0.00 -1.01 0.00 0.00 55.97 54.28 1b6a s LYS 249 Cb -0.15 -3.85 0.01 0.00 -1.01 0.00 0.00 37.83 32.83 1b6a s LYS 249 CO -0.01 -0.64 0.48 0.42 0.51 0.00 0.00 175.35 176.11 1b6a s ILE 250 N 2.13 5.03 -0.20 2.17 -1.09 -0.02 -2.63 121.20 126.59 1b6a s ILE 250 Ca 0.13 -0.11 -0.01 0.00 -2.23 0.00 0.00 60.65 58.43 1b6a s ILE 250 Cb -0.16 -4.04 0.05 0.00 -1.58 0.00 0.00 42.46 36.73 1b6a s ILE 250 CO 0.13 -0.39 -0.03 -0.62 -1.23 0.00 0.00 174.94 172.80 1b6a s ASP 251 N 1.83 3.22 0.06 3.58 -1.08 -0.80 -1.72 116.67 121.77 1b6a s ASP 251 Ca 0.15 -0.89 -0.06 0.00 -0.52 0.00 0.00 52.55 51.22 1b6a s ASP 251 Cb -0.16 -0.92 -0.01 0.00 -1.46 0.00 0.00 42.92 40.37 1b6a s ASP 251 CO 0.14 -0.24 0.12 0.72 0.52 0.00 0.00 175.17 176.44 1b6a s PHE 252 N 1.61 0.22 0.02 -5.34 -0.71 -1.18 -0.17 117.98 112.43 1b6a s PHE 252 Ca -0.02 -0.59 0.03 0.00 -1.04 0.00 0.00 56.93 55.31 1b6a s PHE 252 Cb -0.17 -0.14 -0.02 0.00 -1.21 0.00 0.00 43.02 41.48 1b6a s PHE 252 CO -0.07 -0.44 -0.10 0.20 -1.34 0.00 0.00 175.22 173.47 1b6a s GLY 253 N -2.50 0.57 0.24 1.99 0.00 -1.26 -3.48 107.32 102.89 1b6a s GLY 253 Ca 0.00 -0.61 0.11 0.00 0.00 0.00 0.00 44.72 44.22 1b6a s GLY 253 CO -0.08 -0.59 -0.20 -0.51 0.00 0.00 0.00 173.10 171.73 1b6a s THR 254 N -0.66 2.31 0.03 0.90 -4.23 -1.12 -1.40 115.64 111.46 1b6a s THR 254 Ca 0.00 -2.27 -0.14 0.00 -1.18 0.00 0.00 61.69 58.10 1b6a s THR 254 Cb -0.06 -2.20 0.02 0.00 1.34 0.00 0.00 72.50 71.60 1b6a s THR 254 CO 0.00 -0.36 0.31 -1.38 -0.54 0.00 0.00 174.62 172.66 1b6a s HIS 255 N -2.35 -0.13 -0.13 3.99 -3.43 -0.57 -1.06 115.29 111.61 1b6a s HIS 255 Ca 0.26 0.06 0.02 0.00 -0.80 0.00 0.00 55.06 54.60 1b6a s HIS 255 Cb -0.05 0.10 0.01 0.00 -1.43 0.00 0.00 32.58 31.22 1b6a s HIS 255 CO 0.12 -0.48 -0.18 0.42 -2.00 0.00 0.00 174.74 172.62 1b6a s ILE 256 N -2.24 1.73 -1.31 -5.38 -1.09 -0.99 -1.68 121.20 110.23 1b6a s ILE 256 Ca -0.07 -0.77 -0.06 0.00 -2.23 0.00 0.00 60.65 57.52 1b6a s ILE 256 Cb -0.02 -1.56 0.04 0.00 -1.58 0.00 0.00 42.46 39.34 1b6a s ILE 256 CO -0.01 0.49 0.40 -1.20 -1.23 0.00 0.00 174.94 173.38 1b6a n SER 257 N 4.22 -4.38 0.00 3.58 7.64 0.92 -0.90 113.62 124.70 1b6a n SER 257 Ca -0.19 -0.23 0.00 0.00 1.01 0.00 0.00 58.87 59.46 1b6a n SER 257 Cb 0.51 -3.62 0.00 0.00 -1.01 0.00 0.00 64.21 60.09 1b6a n SER 257 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1b6a n GLY 258 N -1.18 1.06 3.56 0.23 0.00 -1.26 -4.78 105.19 102.81 1b6a n GLY 258 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 1b6a n GLY 258 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b6a s ARG 259 N -0.08 3.50 -0.14 1.61 1.81 -0.08 -1.03 118.95 124.54 1b6a s ARG 259 Ca 0.00 0.11 -0.08 0.00 -1.72 0.00 0.00 55.73 54.04 1b6a s ARG 259 Cb 0.00 -3.96 -0.04 0.00 -0.45 0.00 0.00 34.95 30.50 1b6a s ARG 259 CO 0.00 -1.33 0.14 0.42 -0.68 0.00 0.00 175.30 173.86 1b6a s ILE 260 N 3.95 5.47 -0.23 1.52 1.01 -1.26 -2.35 121.20 129.31 1b6a s ILE 260 Ca 0.37 0.22 -0.07 0.00 0.00 0.00 0.00 60.65 61.17 1b6a s ILE 260 Cb -0.10 -3.43 -0.03 0.00 0.01 0.00 0.00 42.46 38.91 1b6a s ILE 260 CO 0.25 0.57 0.06 -0.63 0.00 0.00 0.00 174.94 175.19 1b6a s ILE 261 N -0.65 4.42 -0.29 2.92 -1.09 -0.22 -5.01 121.20 121.29 1b6a s ILE 261 Ca 0.13 -0.14 -0.03 0.00 -2.23 0.00 0.00 60.65 58.38 1b6a s ILE 261 Cb -0.12 -3.04 0.04 0.00 -1.58 0.00 0.00 42.46 37.76 1b6a s ILE 261 CO 0.03 0.38 -0.00 -0.62 -1.23 0.00 0.00 174.94 173.49 1b6a s ASP 262 N 1.22 4.77 -0.05 3.58 -1.08 -1.26 -2.80 116.67 121.05 1b6a s ASP 262 Ca 0.04 -1.06 -0.07 0.00 -0.52 0.00 0.00 52.55 50.94 1b6a s ASP 262 Cb -0.14 -1.73 0.01 0.00 -1.46 0.00 0.00 42.92 39.60 1b6a s ASP 262 CO 0.03 -0.21 0.17 0.00 0.52 0.00 0.00 175.17 175.68 1b6a s ALA 264 N -0.38 -0.97 0.17 0.00 0.00 -0.95 -3.13 121.76 116.50 1b6a s ALA 264 Ca -0.05 0.53 -0.07 0.00 0.00 0.00 0.00 51.96 52.37 1b6a s ALA 264 Cb -0.03 0.05 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 1b6a s ALA 264 CO 0.01 -0.28 0.25 -0.59 0.00 0.00 0.00 175.76 175.15 1b6a s PHE 265 N -1.27 0.57 -0.14 0.00 -0.71 -0.70 -1.41 117.98 114.32 1b6a s PHE 265 Ca -0.13 -0.92 -0.03 0.00 -1.04 0.00 0.00 56.93 54.82 1b6a s PHE 265 Cb -0.04 -0.16 -0.03 0.00 -1.21 0.00 0.00 43.02 41.58 1b6a s PHE 265 CO 0.05 -0.71 -0.05 0.99 -1.34 0.00 0.00 175.22 174.16 1b6a s THR 266 N -4.01 3.76 -0.19 -4.49 2.01 -1.18 -0.84 115.64 110.71 1b6a s THR 266 Ca 0.22 -0.41 -0.09 0.00 0.31 0.00 0.00 61.69 61.72 1b6a s THR 266 Cb 0.04 -2.63 -0.05 0.00 0.01 0.00 0.00 72.50 69.88 1b6a s THR 266 CO 0.03 0.51 0.11 -0.69 -0.69 0.00 0.00 174.62 173.89 1b6a s VAL 267 N 0.22 5.23 0.08 3.82 1.01 0.82 -4.96 120.40 126.62 1b6a s VAL 267 Ca -0.03 0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.04 1b6a s VAL 267 Cb -0.14 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 1b6a s VAL 267 CO 0.03 0.46 0.05 0.42 0.00 0.00 0.00 175.10 176.07 1b6a s THR 268 N 0.22 0.17 0.00 3.92 -4.23 -1.26 -1.05 115.64 113.40 1b6a s THR 268 Ca 0.07 -1.69 0.00 0.00 -1.18 0.00 0.00 61.69 58.89 1b6a s THR 268 Cb -0.11 -1.63 0.00 0.00 1.34 0.00 0.00 72.50 72.10 1b6a s THR 268 CO -0.01 -0.77 0.00 0.49 -0.54 0.00 0.00 174.62 173.79 1b6a n PHE 269 N 0.01 0.00 -3.45 3.99 3.72 -1.26 -5.01 117.46 115.46 1b6a n PHE 269 Ca -0.12 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 56.91 1b6a n PHE 269 Cb 0.62 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 39.09 1b6a n PHE 269 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1b6a s ASN 270 N -1.76 6.49 0.00 4.37 3.84 -1.24 -4.98 114.94 121.66 1b6a s ASN 270 Ca 0.00 0.57 0.11 0.00 0.21 0.00 0.00 52.86 53.75 1b6a s ASN 270 Cb 0.00 -2.22 0.46 0.00 -0.55 0.00 0.00 41.25 38.95 1b6a s ASN 270 CO 0.00 0.04 1.34 -0.81 -2.79 0.00 0.00 177.10 174.88 1b6a n PRO 271 N 3.80 0.00 0.21 0.43 -0.04 -1.26 -2.71 135.00 135.44 1b6a n PRO 271 Ca -0.10 0.31 0.16 0.00 -0.04 0.00 0.00 63.50 63.83 1b6a n PRO 271 Cb 0.52 -1.50 0.80 0.00 -0.04 0.00 0.00 33.50 33.28 1b6a n PRO 271 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1b6a h LYS 272 N 0.00 0.00 -0.25 0.54 2.10 -1.94 -1.06 116.57 115.96 1b6a h LYS 272 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1b6a h LYS 272 Cb 0.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.51 1b6a h LYS 272 CO 0.00 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.11 1b6a n TYR 273 N -3.98 0.33 -0.25 0.07 4.01 -1.10 -4.56 117.16 111.68 1b6a n TYR 273 Ca 0.01 -0.16 -0.06 0.00 -0.16 0.00 0.00 57.90 57.53 1b6a n TYR 273 Cb 0.28 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.36 1b6a n TYR 273 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1b6a h ASP 274 N 2.48 0.84 0.18 7.72 3.32 -1.42 -1.42 116.42 128.12 1b6a h ASP 274 Ca 0.00 -0.07 -0.12 0.00 0.02 0.00 0.00 57.03 56.85 1b6a h ASP 274 Cb 0.55 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1b6a h ASP 274 CO 0.00 0.67 -0.46 0.74 -1.72 0.00 0.00 179.24 178.47 1b6a h THR 275 N 0.94 1.32 -0.74 0.35 2.02 -1.82 -0.64 112.91 114.33 1b6a h THR 275 Ca 0.25 -1.64 -0.02 0.00 0.77 0.00 0.00 66.41 65.76 1b6a h THR 275 Cb -0.00 1.72 -0.03 0.00 -1.74 0.00 0.00 68.15 68.09 1b6a h THR 275 CO -0.04 0.50 0.37 0.25 0.37 0.00 0.00 175.52 176.96 1b6a h LEU 276 N 0.28 0.97 -0.49 2.58 5.85 -1.65 0.62 115.31 123.46 1b6a h LEU 276 Ca 0.02 -0.13 -0.11 0.00 0.84 0.00 0.00 57.88 58.50 1b6a h LEU 276 Cb 0.91 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1b6a h LEU 276 CO 0.08 0.82 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.79 1b6a h LEU 277 N 1.04 0.97 -0.82 2.25 4.07 -1.02 -2.50 115.31 119.30 1b6a h LEU 277 Ca 0.26 -0.37 -0.04 0.00 0.08 0.00 0.00 57.88 57.80 1b6a h LEU 277 Cb 0.10 -0.27 -0.04 0.00 1.08 0.00 0.00 40.66 41.54 1b6a h LEU 277 CO -0.03 1.12 0.33 0.50 -1.08 0.00 0.00 178.44 179.27 1b6a h LYS 278 N 0.82 1.20 -0.36 1.13 3.64 -0.78 -0.08 116.57 122.14 1b6a h LYS 278 Ca 0.12 -0.21 0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1b6a h LYS 278 Cb 0.70 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.29 1b6a h LYS 278 CO 0.05 0.96 0.13 0.00 -2.27 0.00 0.00 179.45 178.32 1b6a h ALA 279 N 1.19 0.41 -0.20 5.00 0.00 -0.59 0.11 119.26 125.18 1b6a h ALA 279 Ca 0.27 0.04 -0.20 0.00 0.00 0.00 0.00 54.91 55.02 1b6a h ALA 279 Cb 0.20 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.02 1b6a h ALA 279 CO -0.02 -0.27 -0.67 0.28 0.00 0.00 0.00 179.25 178.57 1b6a h VAL 280 N 0.28 1.28 -0.54 0.00 2.07 -1.12 -0.34 116.25 117.88 1b6a h VAL 280 Ca 0.16 -1.86 0.02 0.00 0.82 0.00 0.00 66.70 65.84 1b6a h VAL 280 Cb 0.13 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.73 1b6a h VAL 280 CO -0.16 0.60 0.33 0.50 0.02 0.00 0.00 177.57 178.85 1b6a h LYS 281 N 0.56 0.63 -0.67 1.57 3.64 -0.88 -0.46 116.57 120.96 1b6a h LYS 281 Ca -0.03 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 1b6a h LYS 281 Cb 1.29 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.94 1b6a h LYS 281 CO 0.14 0.42 0.30 0.22 -2.27 0.00 0.00 179.45 178.26 1b6a h ASP 282 N 0.65 0.90 -0.62 4.20 3.58 -0.88 -1.14 116.42 123.11 1b6a h ASP 282 Ca 0.21 -0.15 -0.02 0.00 0.42 0.00 0.00 57.03 57.49 1b6a h ASP 282 Cb 0.01 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 40.80 1b6a h ASP 282 CO -0.09 0.81 0.29 0.00 -2.88 0.00 0.00 179.24 177.37 1b6a h ALA 283 N 1.13 0.80 -0.65 -0.78 0.00 -0.67 0.12 119.26 119.22 1b6a h ALA 283 Ca 0.23 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1b6a h ALA 283 Cb 0.16 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1b6a h ALA 283 CO -0.02 0.37 0.27 1.15 0.00 0.00 0.00 179.25 181.02 1b6a h THR 284 N 0.85 1.23 -0.11 0.00 2.02 -0.92 -0.15 112.91 115.83 1b6a h THR 284 Ca 0.21 -0.71 -0.10 0.00 0.77 0.00 0.00 66.41 66.59 1b6a h THR 284 Cb 0.13 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 1b6a h THR 284 CO -0.03 0.28 -0.37 0.78 0.37 0.00 0.00 175.52 176.55 1b6a h ASN 285 N 0.90 0.23 -0.45 4.18 2.35 -0.87 -0.25 115.58 121.67 1b6a h ASN 285 Ca 0.22 -0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.85 1b6a h ASN 285 Cb 0.18 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 1b6a h ASN 285 CO -0.02 0.59 0.15 0.74 -1.65 0.00 0.00 177.43 177.24 1b6a h THR 286 N 0.19 1.22 -0.54 2.81 2.02 -0.35 0.24 112.91 118.50 1b6a h THR 286 Ca 0.02 -0.71 -0.06 0.00 0.77 0.00 0.00 66.41 66.43 1b6a h THR 286 Cb 0.75 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 1b6a h THR 286 CO 0.06 0.26 0.10 1.23 0.37 0.00 0.00 175.52 177.54 1b6a h GLY 287 N 0.58 0.90 1.09 2.16 0.00 -0.36 -0.73 103.07 106.72 1b6a h GLY 287 Ca 0.15 -0.54 -0.07 0.00 0.00 0.00 0.00 47.33 46.86 1b6a h GLY 287 CO -0.01 0.51 0.17 -2.22 0.00 0.00 0.00 176.54 174.99 1b6a h ILE 288 N 0.80 1.26 -0.17 2.60 2.04 -0.86 -1.77 117.51 121.41 1b6a h ILE 288 Ca 0.17 -0.97 -0.14 0.00 1.00 0.00 0.00 64.86 64.92 1b6a h ILE 288 Cb 0.34 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1b6a h ILE 288 CO 0.00 0.37 -0.49 0.50 0.00 0.00 0.00 178.15 178.53 1b6a h LYS 289 N 1.07 0.45 0.00 2.37 3.64 -0.50 -3.04 116.57 120.54 1b6a h LYS 289 Ca 0.22 -0.26 -0.13 0.00 -1.27 0.00 0.00 60.65 59.22 1b6a h LYS 289 Cb 0.38 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 1b6a h LYS 289 CO 0.00 0.84 -0.61 0.00 -2.27 0.00 0.00 179.45 177.42 1b6a s ALA 291 N -3.54 2.41 0.00 0.00 0.00 -0.68 -4.90 121.76 115.05 1b6a s ALA 291 Ca -0.01 1.00 0.00 0.00 0.00 0.00 0.00 51.96 52.95 1b6a s ALA 291 Cb 0.12 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1b6a s ALA 291 CO 0.75 -1.41 0.00 0.41 0.00 0.00 0.00 175.76 175.51 1b6a n GLY 292 N 0.51 0.84 3.72 0.00 0.00 -1.26 -4.59 105.19 104.41 1b6a n GLY 292 Ca 0.14 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 1b6a n GLY 292 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1b6a s ILE 293 N -2.00 2.25 0.00 -0.61 1.01 -1.26 -2.13 121.20 118.46 1b6a s ILE 293 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.82 1b6a s ILE 293 Cb 0.00 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.36 1b6a s ILE 293 CO 0.00 0.01 0.00 0.47 0.00 0.00 0.00 174.94 175.42 1b6a n ASP 294 N 4.03 -3.28 -4.76 3.58 8.00 0.27 -4.98 116.55 119.41 1b6a n ASP 294 Ca 0.15 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.25 1b6a n ASP 294 Cb 0.36 -1.14 -0.06 0.00 -0.02 0.00 0.00 41.12 40.27 1b6a n ASP 294 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1b6a s VAL 295 N -1.94 4.44 0.12 2.53 1.01 -0.90 -4.80 120.40 120.86 1b6a s VAL 295 Ca 0.00 1.79 -0.30 0.00 0.00 0.00 0.00 61.98 63.47 1b6a s VAL 295 Cb 0.00 -4.18 -0.06 0.00 0.00 0.00 0.00 36.38 32.13 1b6a s VAL 295 CO 0.00 0.45 1.15 -0.13 0.00 0.00 0.00 175.10 176.57 1b6a s ARG 296 N -0.70 4.51 0.40 2.72 0.52 -1.26 -1.21 118.95 123.93 1b6a s ARG 296 Ca 0.39 1.74 0.08 0.00 -0.52 0.00 0.00 55.73 57.42 1b6a s ARG 296 Cb -0.23 -3.31 0.83 0.00 0.52 0.00 0.00 34.95 32.76 1b6a s ARG 296 CO 0.27 -0.10 2.00 -0.07 0.02 0.00 0.00 175.30 177.42 1b6a h LEU 297 N 5.97 0.38 -1.62 2.53 3.38 -0.94 -1.41 115.31 123.60 1b6a h LEU 297 Ca -0.43 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 1b6a h LEU 297 Cb 1.21 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1b6a h LEU 297 CO 0.77 0.36 -0.11 0.00 0.09 0.00 0.00 178.44 179.55 1b6a h ASP 299 N 0.10 0.60 -0.38 0.00 3.32 -1.56 -1.66 116.42 116.83 1b6a h ASP 299 Ca 0.02 -0.38 -0.01 0.00 0.02 0.00 0.00 57.03 56.69 1b6a h ASP 299 Cb 0.26 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1b6a h ASP 299 CO 0.02 1.12 0.21 0.58 -1.72 0.00 0.00 179.24 179.45 1b6a h VAL 300 N 0.36 1.14 -0.31 -1.35 2.07 -1.27 -1.05 116.25 115.84 1b6a h VAL 300 Ca -0.03 -0.36 0.02 0.00 0.82 0.00 0.00 66.70 67.15 1b6a h VAL 300 Cb 1.28 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 1b6a h VAL 300 CO 0.13 0.15 0.16 1.23 0.02 0.00 0.00 177.57 179.25 1b6a h GLY 301 N 0.49 0.41 1.01 2.17 0.00 -1.26 -0.92 103.07 104.98 1b6a h GLY 301 Ca 0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 1b6a h GLY 301 CO -0.02 0.10 0.46 -2.09 0.00 0.00 0.00 176.54 174.98 1b6a h GLU 302 N 0.33 1.09 -0.39 4.80 4.81 -1.09 -2.04 114.58 122.10 1b6a h GLU 302 Ca 0.13 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1b6a h GLU 302 Cb 0.03 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.17 1b6a h GLU 302 CO -0.08 0.79 0.14 0.00 -0.73 0.00 0.00 179.01 179.13 1b6a h ALA 303 N 1.24 0.51 -0.23 2.92 0.00 -0.89 -1.29 119.26 121.52 1b6a h ALA 303 Ca 0.28 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1b6a h ALA 303 Cb -0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1b6a h ALA 303 CO -0.05 0.13 0.06 0.82 0.00 0.00 0.00 179.25 180.21 1b6a h ILE 304 N 0.48 0.92 -0.72 0.00 2.04 -1.06 -2.57 117.51 116.59 1b6a h ILE 304 Ca 0.13 -0.05 -0.05 0.00 1.00 0.00 0.00 64.86 65.89 1b6a h ILE 304 Cb 0.22 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 1b6a h ILE 304 CO -0.01 0.03 0.27 -0.61 0.00 0.00 0.00 178.15 177.83 1b6a h GLN 305 N 0.16 1.08 -0.71 2.37 4.15 -1.21 -0.03 115.11 120.92 1b6a h GLN 305 Ca 0.10 -0.20 -0.01 0.00 0.77 0.00 0.00 58.65 59.32 1b6a h GLN 305 Cb 0.08 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.56 1b6a h GLN 305 CO -0.12 0.89 0.42 1.49 -1.93 0.00 0.00 178.83 179.58 1b6a h GLU 306 N 1.05 0.96 -0.04 1.69 4.81 -0.97 -0.93 114.58 121.15 1b6a h GLU 306 Ca 0.24 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 1b6a h GLU 306 Cb 0.23 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 1b6a h GLU 306 CO -0.02 0.69 -0.04 0.28 -0.73 0.00 0.00 179.01 179.19 1b6a h VAL 307 N 0.96 1.38 -0.85 0.32 2.07 -1.28 -2.95 116.25 115.92 1b6a h VAL 307 Ca 0.25 -1.20 0.01 0.00 0.82 0.00 0.00 66.70 66.58 1b6a h VAL 307 Cb -0.02 2.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 1b6a h VAL 307 CO -0.05 0.32 0.56 -0.03 0.02 0.00 0.00 177.57 178.40 1b6a h MET 308 N -0.36 1.12 -0.00 1.57 4.05 -0.76 -1.81 114.93 118.74 1b6a h MET 308 Ca 0.01 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 1b6a h MET 308 Cb 0.55 -0.25 0.00 0.00 -0.80 0.00 0.00 31.60 31.09 1b6a h MET 308 CO 0.01 0.74 -0.03 0.39 0.23 0.00 0.00 176.91 178.25 1b6a n GLU 309 N -4.41 0.44 0.00 0.39 1.02 -0.37 -2.54 120.64 115.17 1b6a n GLU 309 Ca 0.10 -0.04 0.11 0.00 -0.02 0.00 0.00 57.16 57.30 1b6a n GLU 309 Cb 0.02 -1.50 0.49 0.00 -0.02 0.00 0.00 31.44 30.43 1b6a n GLU 309 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1b6a n SER 310 N -1.24 0.01 -4.82 1.62 3.41 -0.68 -4.73 113.62 107.18 1b6a n SER 310 Ca 0.14 0.50 -0.37 0.00 -0.26 0.00 0.00 58.87 58.88 1b6a n SER 310 Cb 0.25 -0.50 -0.07 0.00 -0.26 0.00 0.00 64.21 63.64 1b6a n SER 310 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1b6a s TYR 311 N -3.00 3.57 0.01 7.33 1.51 -1.05 -5.06 117.35 120.64 1b6a s TYR 311 Ca 0.11 0.58 0.07 0.00 -1.01 0.00 0.00 57.07 56.82 1b6a s TYR 311 Cb 0.15 -2.10 -0.02 0.00 -0.11 0.00 0.00 41.96 39.88 1b6a s TYR 311 CO 0.42 0.57 -0.22 -1.83 -1.11 0.00 0.00 175.55 173.38 1b6a s GLU 312 N -0.57 1.69 0.13 -0.62 -1.05 -1.26 -1.77 118.70 115.24 1b6a s GLU 312 Ca 0.15 -0.86 0.06 0.00 -0.15 0.00 0.00 54.97 54.17 1b6a s GLU 312 Cb -0.13 -1.70 -0.04 0.00 -0.44 0.00 0.00 34.13 31.82 1b6a s GLU 312 CO 0.04 0.46 -0.14 0.14 0.95 0.00 0.00 175.26 176.71 1b6a s VAL 313 N -0.62 1.34 -0.12 1.83 -7.23 0.22 -4.95 120.40 110.87 1b6a s VAL 313 Ca 0.09 -1.78 0.00 0.00 -1.81 0.00 0.00 61.98 58.48 1b6a s VAL 313 Cb -0.09 -1.59 0.02 0.00 0.56 0.00 0.00 36.38 35.29 1b6a s VAL 313 CO 0.00 -0.45 -0.10 -0.70 -0.31 0.00 0.00 175.10 173.53 1b6a s GLU 314 N -2.82 1.82 -0.12 4.82 2.12 -1.26 -0.46 118.70 122.80 1b6a s GLU 314 Ca 0.10 -0.37 -0.01 0.00 0.36 0.00 0.00 54.97 55.05 1b6a s GLU 314 Cb -0.04 -1.76 0.03 0.00 0.26 0.00 0.00 34.13 32.62 1b6a s GLU 314 CO 0.03 -0.24 -0.06 0.42 -0.54 0.00 0.00 175.26 174.88 1b6a s ILE 315 N 1.56 0.93 -1.40 -3.70 1.01 -0.23 -4.82 121.20 114.55 1b6a s ILE 315 Ca 0.04 -0.29 -0.05 0.00 0.00 0.00 0.00 60.65 60.35 1b6a s ILE 315 Cb -0.13 -1.01 0.03 0.00 0.01 0.00 0.00 42.46 41.36 1b6a s ILE 315 CO -0.08 0.30 0.73 0.47 0.00 0.00 0.00 174.94 176.35 1b6a n ASP 316 N 4.97 -2.06 0.00 3.58 8.00 -1.26 -1.99 116.55 127.78 1b6a n ASP 316 Ca -0.11 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.53 1b6a n ASP 316 Cb 0.50 -3.77 0.00 0.00 -0.02 0.00 0.00 41.12 37.83 1b6a n ASP 316 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b6a n GLY 317 N -1.68 0.51 3.35 0.44 0.00 -1.26 -5.00 105.19 101.55 1b6a n GLY 317 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 1b6a n GLY 317 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1b6a s LYS 318 N -0.30 2.49 0.04 1.61 2.20 -0.84 -5.13 119.74 119.81 1b6a s LYS 318 Ca 0.00 -0.83 -0.00 0.00 -0.36 0.00 0.00 55.97 54.77 1b6a s LYS 318 Cb 0.00 -2.23 -0.04 0.00 -1.51 0.00 0.00 37.83 34.05 1b6a s LYS 318 CO 0.00 0.49 0.17 0.95 -0.36 0.00 0.00 175.35 176.60 1b6a s THR 319 N -0.41 5.21 0.01 3.43 -4.23 -1.26 -1.06 115.64 117.33 1b6a s THR 319 Ca 0.04 -0.39 0.01 0.00 -1.18 0.00 0.00 61.69 60.17 1b6a s THR 319 Cb -0.12 -3.49 -0.01 0.00 1.34 0.00 0.00 72.50 70.22 1b6a s THR 319 CO 0.02 0.21 -0.03 -0.31 -0.54 0.00 0.00 174.62 173.97 1b6a s TYR 320 N -1.41 0.26 -0.17 3.99 1.51 0.39 -4.99 117.35 116.93 1b6a s TYR 320 Ca 0.31 -0.17 -0.22 0.00 -1.01 0.00 0.00 57.07 55.98 1b6a s TYR 320 Cb -0.13 -0.17 -0.02 0.00 -0.11 0.00 0.00 41.96 41.53 1b6a s TYR 320 CO 0.23 -0.04 0.68 -1.14 -1.11 0.00 0.00 175.55 174.17 1b6a s GLN 321 N -0.45 4.27 0.26 -0.62 0.74 -1.26 -0.61 119.66 121.98 1b6a s GLN 321 Ca -0.03 0.74 -0.30 0.00 0.05 0.00 0.00 55.36 55.82 1b6a s GLN 321 Cb -0.03 -3.55 -0.11 0.00 1.10 0.00 0.00 33.01 30.42 1b6a s GLN 321 CO -0.00 -0.21 1.51 0.08 -0.55 0.00 0.00 175.29 176.13 1b6a s VAL 322 N 1.78 2.42 -0.12 1.34 1.01 -0.73 -4.92 120.40 121.19 1b6a s VAL 322 Ca 0.32 0.35 0.01 0.00 0.00 0.00 0.00 61.98 62.66 1b6a s VAL 322 Cb -0.16 -3.22 -0.01 0.00 0.00 0.00 0.00 36.38 32.98 1b6a s VAL 322 CO 0.12 0.05 -0.15 -0.54 0.00 0.00 0.00 175.10 174.58 1b6a s LYS 323 N -0.26 3.26 0.55 2.72 1.02 -0.78 -4.12 119.74 122.13 1b6a s LYS 323 Ca 0.62 -0.72 -0.22 0.00 0.02 0.00 0.00 55.97 55.67 1b6a s LYS 323 Cb -0.44 -2.55 -0.05 0.00 -0.52 0.00 0.00 37.83 34.26 1b6a s LYS 323 CO 0.44 0.24 1.34 -2.30 -0.92 0.00 0.00 175.35 174.15 1b6a n PRO 324 N 3.42 1.67 -2.72 -1.68 -0.02 -1.26 -0.51 135.00 133.90 1b6a n PRO 324 Ca -0.18 0.61 -0.43 0.00 -2.02 0.00 0.00 63.50 61.48 1b6a n PRO 324 Cb 0.53 -2.55 -0.03 0.00 -0.02 0.00 0.00 33.50 31.42 1b6a n PRO 324 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1b6a s ILE 325 N -1.29 4.28 0.30 4.25 1.01 -0.60 -4.69 121.20 124.46 1b6a s ILE 325 Ca 0.71 0.75 0.24 0.00 0.00 0.00 0.00 60.65 62.35 1b6a s ILE 325 Cb -0.42 -4.57 0.24 0.00 0.01 0.00 0.00 42.46 37.72 1b6a s ILE 325 CO 0.49 -1.07 1.94 0.08 0.00 0.00 0.00 174.94 176.38 1b6a h ARG 326 N 9.29 0.00 -0.64 2.79 0.11 -1.33 -2.35 114.38 122.25 1b6a h ARG 326 Ca -0.25 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 59.63 1b6a h ARG 326 Cb 1.07 0.00 -0.12 0.00 1.11 0.00 0.00 29.97 32.03 1b6a h ARG 326 CO 1.10 0.21 0.21 0.27 0.10 0.00 0.00 179.97 181.86 1b6a n ASN 327 N -3.61 4.31 -4.45 0.08 6.94 -1.26 -4.82 115.26 112.45 1b6a n ASN 327 Ca -0.01 -3.30 -0.29 0.00 -0.02 0.00 0.00 54.58 50.96 1b6a n ASN 327 Cb 0.34 -0.71 -0.12 0.00 -2.36 0.00 0.00 39.78 36.93 1b6a n ASN 327 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1b6a s LEU 328 N -3.03 2.55 0.05 -4.53 1.43 -0.89 -4.92 118.68 109.35 1b6a s LEU 328 Ca 0.52 -0.66 -0.08 0.00 -1.03 0.00 0.00 54.13 52.88 1b6a s LEU 328 Cb 0.43 -1.40 -0.00 0.00 0.03 0.00 0.00 46.19 45.24 1b6a s LEU 328 CO 0.11 0.17 0.17 0.20 0.23 0.00 0.00 176.35 177.23 1b6a s ASN 329 N -2.20 0.10 0.98 2.29 -0.87 -1.26 -4.28 114.94 109.71 1b6a s ASN 329 Ca 0.17 -0.49 -0.13 0.00 -1.57 0.00 0.00 52.86 50.84 1b6a s ASN 329 Cb -0.10 0.29 0.18 0.00 -0.02 0.00 0.00 41.25 41.60 1b6a s ASN 329 CO 0.09 -0.60 1.07 0.61 -2.57 0.00 0.00 177.10 175.70 1b6a n GLY 330 N 0.47 -1.34 3.58 0.66 0.00 -0.14 -4.86 105.19 103.56 1b6a n GLY 330 Ca -0.18 -1.72 -0.14 0.00 0.00 0.00 0.00 46.02 43.99 1b6a n GLY 330 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1b6a s HIS 331 N -3.32 -0.57 0.77 1.61 -3.43 -0.75 -0.72 115.29 108.87 1b6a s HIS 331 Ca 0.61 1.15 -0.11 0.00 -0.80 0.00 0.00 55.06 55.91 1b6a s HIS 331 Cb -0.02 0.39 0.05 0.00 -1.43 0.00 0.00 32.58 31.58 1b6a s HIS 331 CO 0.43 -0.43 1.09 -1.54 -2.00 0.00 0.00 174.74 172.28 1b6a s SER 332 N -0.64 4.56 -0.04 7.38 1.04 0.05 -0.56 113.70 125.48 1b6a s SER 332 Ca -0.04 1.76 0.05 0.00 0.48 0.00 0.00 55.95 58.20 1b6a s SER 332 Cb -0.02 -2.49 -0.01 0.00 0.10 0.00 0.00 66.02 63.61 1b6a s SER 332 CO 0.03 -1.99 -0.20 -0.63 0.98 0.00 0.00 173.24 171.43 1b6a s ILE 333 N -2.93 1.64 0.44 -1.02 1.01 0.23 -0.75 121.20 119.83 1b6a s ILE 333 Ca 0.61 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 60.45 1b6a s ILE 333 Cb -0.17 -1.40 -0.02 0.00 0.01 0.00 0.00 42.46 40.88 1b6a s ILE 333 CO 0.56 0.47 0.09 -0.83 0.00 0.00 0.00 174.94 175.22 1b6a s GLY 334 N -0.08 2.75 -0.06 6.18 0.00 0.42 -4.29 107.32 112.24 1b6a s GLY 334 Ca -0.02 -0.97 -0.30 0.00 0.00 0.00 0.00 44.72 43.42 1b6a s GLY 334 CO 0.02 -1.96 1.75 1.62 0.00 0.00 0.00 173.10 174.53 1b6a s GLN 335 N -3.76 4.09 -2.01 2.90 0.74 -1.26 -0.94 119.66 119.40 1b6a s GLN 335 Ca 0.18 2.23 0.00 0.00 0.05 0.00 0.00 55.36 57.82 1b6a s GLN 335 Cb 0.02 -4.05 0.00 0.00 1.10 0.00 0.00 33.01 30.08 1b6a s GLN 335 CO 0.11 -0.97 0.00 0.66 -0.55 0.00 0.00 175.29 174.53 1b6a n TYR 336 N 7.57 -0.34 -3.53 1.67 4.01 -0.20 -4.93 117.16 121.40 1b6a n TYR 336 Ca 0.19 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.63 1b6a n TYR 336 Cb 0.43 -3.54 -0.13 0.00 -0.31 0.00 0.00 39.34 35.79 1b6a n TYR 336 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1b6a s ARG 337 N -4.11 0.51 0.44 -0.72 3.52 -0.12 -4.24 118.95 114.23 1b6a s ARG 337 Ca 0.00 -1.10 0.09 0.00 -0.13 0.00 0.00 55.73 54.59 1b6a s ARG 337 Cb 0.00 -1.40 0.96 0.00 -1.56 0.00 0.00 34.95 32.96 1b6a s ARG 337 CO 0.00 -1.12 2.08 0.97 -0.81 0.00 0.00 175.30 176.42 1b6a h ILE 338 N 5.62 1.08 -3.61 4.11 6.09 -1.87 0.12 117.51 129.04 1b6a h ILE 338 Ca -0.05 -0.15 -0.64 0.00 -1.37 0.00 0.00 64.86 62.66 1b6a h ILE 338 Cb 0.98 0.63 -0.39 0.00 0.47 0.00 0.00 36.82 38.51 1b6a h ILE 338 CO 0.36 0.08 -0.76 -2.28 -3.07 0.00 0.00 178.15 172.48 1b6a s HIS 339 N -5.38 3.00 -2.03 2.19 2.46 -1.26 -4.39 115.29 109.88 1b6a s HIS 339 Ca -0.07 -2.38 0.13 0.00 0.47 0.00 0.00 55.06 53.21 1b6a s HIS 339 Cb 0.17 -2.23 0.39 0.00 -0.13 0.00 0.00 32.58 30.78 1b6a s HIS 339 CO 0.72 -0.88 1.32 0.00 -2.47 0.00 0.00 174.74 173.42 1b6a n ALA 340 N 4.48 2.44 0.00 1.58 0.00 0.07 -4.90 120.51 124.18 1b6a n ALA 340 Ca -0.04 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.71 1b6a n ALA 340 Cb 0.42 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.90 1b6a n ALA 340 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b6a n GLY 341 N 1.14 1.99 3.81 0.00 0.00 -1.26 -4.94 105.19 105.92 1b6a n GLY 341 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1b6a n GLY 341 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b6a s LYS 342 N -0.39 3.85 0.00 1.61 1.02 -1.26 -4.98 119.74 119.59 1b6a s LYS 342 Ca 0.00 -0.05 0.03 0.00 0.02 0.00 0.00 55.97 55.97 1b6a s LYS 342 Cb 0.00 -3.30 -0.03 0.00 -0.52 0.00 0.00 37.83 33.98 1b6a s LYS 342 CO 0.00 0.54 -0.05 0.95 -0.92 0.00 0.00 175.35 175.87 1b6a s THR 343 N -0.38 3.76 -0.43 2.17 -4.23 -1.26 -0.77 115.64 114.49 1b6a s THR 343 Ca 0.14 -0.74 -0.09 0.00 -1.18 0.00 0.00 61.69 59.83 1b6a s THR 343 Cb -0.12 -2.65 0.09 0.00 1.34 0.00 0.00 72.50 71.16 1b6a s THR 343 CO 0.03 0.39 0.28 -0.69 -0.54 0.00 0.00 174.62 174.10 1b6a s VAL 344 N -1.02 4.17 0.71 2.29 1.01 0.10 -4.89 120.40 122.78 1b6a s VAL 344 Ca 0.18 -1.56 -0.15 0.00 0.00 0.00 0.00 61.98 60.45 1b6a s VAL 344 Cb -0.11 -3.63 0.03 0.00 0.00 0.00 0.00 36.38 32.67 1b6a s VAL 344 CO 0.08 -0.60 1.16 -2.16 0.00 0.00 0.00 175.10 173.58 1b6a s PRO 345 N 1.39 2.34 -0.02 2.72 0.04 -1.26 -0.96 135.00 139.24 1b6a s PRO 345 Ca 0.04 1.59 0.06 0.00 0.04 0.00 0.00 61.00 62.73 1b6a s PRO 345 Cb -0.24 -1.87 0.15 0.00 0.04 0.00 0.00 34.50 32.57 1b6a s PRO 345 CO 0.01 -1.65 1.11 0.44 0.04 0.00 0.00 177.00 176.95 1b6a n ILE 346 N -2.70 1.17 -4.24 0.56 -5.35 -1.26 -3.37 119.36 104.17 1b6a n ILE 346 Ca 0.12 -1.19 -0.13 0.00 -0.27 0.00 0.00 62.75 61.28 1b6a n ILE 346 Cb 0.51 0.38 -0.10 0.00 -1.74 0.00 0.00 39.64 38.68 1b6a n ILE 346 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 1b6a s VAL 347 N -1.31 0.53 0.88 7.28 -7.23 -1.22 -3.61 120.40 115.72 1b6a s VAL 347 Ca 0.12 -1.97 -0.11 0.00 -1.81 0.00 0.00 61.98 58.21 1b6a s VAL 347 Cb 0.08 -2.23 0.12 0.00 0.56 0.00 0.00 36.38 34.92 1b6a s VAL 347 CO 0.05 -0.36 1.10 -1.59 -0.31 0.00 0.00 175.10 173.99 1b6a s LYS 348 N -3.97 1.33 0.00 4.82 -2.85 -1.25 -3.94 119.74 113.87 1b6a s LYS 348 Ca 0.27 1.11 0.00 0.00 -1.00 0.00 0.00 55.97 56.35 1b6a s LYS 348 Cb 0.07 -1.80 0.00 0.00 -2.06 0.00 0.00 37.83 34.04 1b6a s LYS 348 CO 0.06 -2.27 0.00 0.41 0.10 0.00 0.00 175.35 173.65 1b6a n GLY 349 N -0.67 0.97 0.00 0.59 0.00 -1.26 -4.95 105.19 99.86 1b6a n GLY 349 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1b6a n GLY 349 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b6a n GLY 350 N -2.02 0.05 3.81 -0.02 0.00 -1.26 -5.05 105.19 100.70 1b6a n GLY 350 Ca 0.00 -1.78 -0.36 0.00 0.00 0.00 0.00 46.02 43.87 1b6a n GLY 350 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1b6a s GLU 351 N -0.10 4.32 -0.01 1.61 2.02 -1.26 -4.74 118.70 120.54 1b6a s GLU 351 Ca 0.00 0.95 0.02 0.00 0.02 0.00 0.00 54.97 55.96 1b6a s GLU 351 Cb 0.00 -2.89 0.06 0.00 0.10 0.00 0.00 34.13 31.40 1b6a s GLU 351 CO 0.00 0.39 0.92 0.00 0.02 0.00 0.00 175.26 176.58 1b6a n ALA 352 N 0.74 2.52 -1.54 5.21 0.00 -1.26 -1.62 120.51 124.57 1b6a n ALA 352 Ca -0.02 -0.12 -0.51 0.00 0.00 0.00 0.00 53.44 52.80 1b6a n ALA 352 Cb 0.51 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.91 1b6a n ALA 352 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1b6a n THR 353 N -0.22 0.89 -3.56 0.00 -1.04 -1.26 -4.42 114.28 104.68 1b6a n THR 353 Ca 0.02 -0.22 -0.31 0.00 -2.04 0.00 0.00 64.05 61.49 1b6a n THR 353 Cb 0.13 -0.57 -0.05 0.00 -1.82 0.00 0.00 70.33 68.02 1b6a n THR 353 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1b6a s ARG 354 N -0.40 3.69 0.34 -2.82 0.52 -1.26 -0.54 118.95 118.48 1b6a s ARG 354 Ca 0.75 0.05 -0.27 0.00 -0.52 0.00 0.00 55.73 55.75 1b6a s ARG 354 Cb -0.94 -2.76 -0.09 0.00 0.52 0.00 0.00 34.95 31.68 1b6a s ARG 354 CO 0.54 0.39 1.10 -1.64 0.02 0.00 0.00 175.30 175.71 1b6a s MET 355 N -2.77 4.36 0.16 3.54 -1.94 -0.35 -4.91 119.30 117.40 1b6a s MET 355 Ca 0.44 1.73 0.11 0.00 -1.71 0.00 0.00 55.69 56.25 1b6a s MET 355 Cb -0.12 -2.88 -0.04 0.00 2.01 0.00 0.00 34.83 33.81 1b6a s MET 355 CO 0.24 -0.02 -0.25 -1.21 -0.01 0.00 0.00 175.02 173.77 1b6a s GLU 356 N -1.96 1.43 0.17 2.03 2.02 -1.26 -0.56 118.70 120.57 1b6a s GLU 356 Ca 0.51 -1.42 -0.34 0.00 0.02 0.00 0.00 54.97 53.75 1b6a s GLU 356 Cb -0.29 -1.82 -0.14 0.00 0.10 0.00 0.00 34.13 31.98 1b6a s GLU 356 CO 0.37 0.41 1.51 -1.91 0.02 0.00 0.00 175.26 175.66 1b6a n GLU 357 N 0.61 1.99 0.00 1.61 2.13 -1.26 -1.99 120.64 123.73 1b6a n GLU 357 Ca -0.15 0.72 0.00 0.00 0.66 0.00 0.00 57.16 58.38 1b6a n GLU 357 Cb 0.55 -2.44 0.00 0.00 0.27 0.00 0.00 31.44 29.81 1b6a n GLU 357 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1b6a n GLY 358 N 3.03 1.31 3.84 8.31 0.00 0.84 -5.04 105.19 117.47 1b6a n GLY 358 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1b6a n GLY 358 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1b6a s GLU 359 N -0.75 3.28 -0.04 1.61 2.02 -0.84 -4.77 118.70 119.21 1b6a s GLU 359 Ca 0.00 0.92 0.04 0.00 0.02 0.00 0.00 54.97 55.95 1b6a s GLU 359 Cb 0.00 -2.04 -0.00 0.00 0.10 0.00 0.00 34.13 32.19 1b6a s GLU 359 CO 0.00 -0.83 -0.16 0.08 0.02 0.00 0.00 175.26 174.37 1b6a s VAL 360 N -2.98 1.36 -0.01 2.63 1.01 -1.26 -0.82 120.40 120.32 1b6a s VAL 360 Ca 0.58 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.91 1b6a s VAL 360 Cb -0.13 -1.16 -0.01 0.00 0.00 0.00 0.00 36.38 35.08 1b6a s VAL 360 CO 0.51 0.39 -0.11 -0.31 0.00 0.00 0.00 175.10 175.57 1b6a s TYR 361 N 0.00 1.04 -0.43 5.22 2.02 -0.39 -0.60 117.35 124.22 1b6a s TYR 361 Ca -0.02 -0.20 -0.22 0.00 -0.37 0.00 0.00 57.07 56.25 1b6a s TYR 361 Cb -0.11 -0.68 0.02 0.00 -0.40 0.00 0.00 41.96 40.80 1b6a s TYR 361 CO 0.02 -0.03 0.74 0.00 -1.57 0.00 0.00 175.55 174.71 1b6a s ALA 362 N -0.23 3.33 -0.47 3.71 0.00 0.27 -0.15 121.76 128.23 1b6a s ALA 362 Ca 0.04 -1.00 -0.18 0.00 0.00 0.00 0.00 51.96 50.82 1b6a s ALA 362 Cb -0.05 -3.39 0.05 0.00 0.00 0.00 0.00 23.12 19.73 1b6a s ALA 362 CO -0.00 -1.79 0.51 0.42 0.00 0.00 0.00 175.76 174.90 1b6a s ILE 363 N 3.10 5.03 0.01 0.00 -1.09 -0.14 -1.81 121.20 126.30 1b6a s ILE 363 Ca 0.28 -0.58 0.04 0.00 -2.23 0.00 0.00 60.65 58.16 1b6a s ILE 363 Cb -0.13 -4.18 -0.01 0.00 -1.58 0.00 0.00 42.46 36.56 1b6a s ILE 363 CO 0.20 -0.63 -0.14 -1.83 -1.23 0.00 0.00 174.94 171.31 1b6a s GLU 364 N 2.24 1.05 0.07 2.79 -1.05 -1.26 -1.58 118.70 120.97 1b6a s GLU 364 Ca 0.12 -0.58 0.05 0.00 -0.15 0.00 0.00 54.97 54.40 1b6a s GLU 364 Cb -0.20 -1.04 -0.03 0.00 -0.44 0.00 0.00 34.13 32.43 1b6a s GLU 364 CO 0.11 0.28 -0.13 0.95 0.95 0.00 0.00 175.26 177.42 1b6a s THR 365 N -0.49 1.02 -0.06 1.83 -4.23 -0.76 -4.12 115.64 108.82 1b6a s THR 365 Ca 0.04 -1.35 0.02 0.00 -1.18 0.00 0.00 61.69 59.22 1b6a s THR 365 Cb -0.06 -1.08 0.01 0.00 1.34 0.00 0.00 72.50 72.72 1b6a s THR 365 CO 0.00 -0.31 -0.11 -0.36 -0.54 0.00 0.00 174.62 173.30 1b6a s PHE 366 N -1.52 1.29 0.15 3.99 0.40 -1.26 -2.64 117.98 118.38 1b6a s PHE 366 Ca -0.01 -0.45 0.11 0.00 -0.60 0.00 0.00 56.93 55.97 1b6a s PHE 366 Cb -0.09 -0.97 -0.04 0.00 0.51 0.00 0.00 43.02 42.44 1b6a s PHE 366 CO 0.02 -0.25 -0.26 0.20 0.70 0.00 0.00 175.22 175.63 1b6a s GLY 367 N 0.68 1.60 0.03 4.36 0.00 -0.40 -1.56 107.32 112.03 1b6a s GLY 367 Ca -0.13 -1.51 -0.04 0.00 0.00 0.00 0.00 44.72 43.04 1b6a s GLY 367 CO 0.03 -1.50 0.06 -0.45 0.00 0.00 0.00 173.10 171.24 1b6a s SER 368 N -2.21 0.19 0.00 1.64 0.15 0.33 -1.13 113.70 112.67 1b6a s SER 368 Ca 0.15 -0.51 0.24 0.00 0.70 0.00 0.00 55.95 56.53 1b6a s SER 368 Cb -0.09 0.19 0.47 0.00 -1.71 0.00 0.00 66.02 64.88 1b6a s SER 368 CO 0.07 -0.45 1.42 0.35 1.20 0.00 0.00 173.24 175.83 1b6a n THR 369 N 1.02 0.24 0.00 6.45 -2.24 -0.40 -1.86 114.28 117.49 1b6a n THR 369 Ca -0.20 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 1b6a n THR 369 Cb 0.57 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.81 1b6a n THR 369 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1b6a n GLY 370 N 1.36 0.95 0.22 3.38 0.00 -1.26 -4.82 105.19 105.03 1b6a n GLY 370 Ca 0.17 -0.54 0.12 0.00 0.00 0.00 0.00 46.02 45.77 1b6a n GLY 370 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1b6a h LYS 371 N 0.00 0.00 -0.07 1.61 1.79 -1.94 -3.47 116.57 114.49 1b6a h LYS 371 Ca 0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 1b6a h LYS 371 Cb 0.00 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1b6a h LYS 371 CO 0.00 0.10 -0.02 0.41 -1.08 0.00 0.00 179.45 178.86 1b6a n GLY 372 N 0.74 0.45 2.93 3.86 0.00 -1.26 -4.97 105.19 106.94 1b6a n GLY 372 Ca 0.02 -1.01 -0.14 0.00 0.00 0.00 0.00 46.02 44.89 1b6a n GLY 372 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1b6a s VAL 373 N -2.04 0.26 0.14 1.61 1.01 -1.26 -0.81 120.40 119.30 1b6a s VAL 373 Ca 0.00 -0.21 0.06 0.00 0.00 0.00 0.00 61.98 61.83 1b6a s VAL 373 Cb 0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 36.10 1b6a s VAL 373 CO 0.00 0.03 0.03 0.68 0.00 0.00 0.00 175.10 175.83 1b6a s VAL 374 N -0.19 3.98 0.17 2.92 -7.23 -1.26 -4.20 120.40 114.60 1b6a s VAL 374 Ca 0.00 -1.19 0.06 0.00 -1.81 0.00 0.00 61.98 59.04 1b6a s VAL 374 Cb -0.02 -2.97 -0.05 0.00 0.56 0.00 0.00 36.38 33.91 1b6a s VAL 374 CO -0.00 -0.02 -0.12 -1.38 -0.31 0.00 0.00 175.10 173.26 1b6a s HIS 375 N -1.57 1.49 0.25 2.82 -3.43 -0.25 -4.85 115.29 109.75 1b6a s HIS 375 Ca 0.27 -0.66 -0.30 0.00 -0.80 0.00 0.00 55.06 53.58 1b6a s HIS 375 Cb -0.10 -0.72 -0.10 0.00 -1.43 0.00 0.00 32.58 30.23 1b6a s HIS 375 CO 0.19 0.22 1.33 -0.51 -2.00 0.00 0.00 174.74 173.97 1b6a s ASP 376 N -3.22 6.83 0.06 7.38 1.01 -1.26 -1.22 116.67 126.25 1b6a s ASP 376 Ca 0.19 2.54 -0.24 0.00 0.71 0.00 0.00 52.55 55.75 1b6a s ASP 376 Cb 0.01 -2.63 0.06 0.00 1.01 0.00 0.00 42.92 41.37 1b6a s ASP 376 CO 0.04 -0.55 0.58 -0.62 0.21 0.00 0.00 175.17 174.82 1b6a s ASP 377 N 0.03 -0.52 0.22 0.27 2.15 -0.42 -4.92 116.67 113.47 1b6a s ASP 377 Ca 0.54 0.22 0.00 0.00 0.43 0.00 0.00 52.55 53.75 1b6a s ASP 377 Cb -0.38 0.53 0.00 0.00 -0.30 0.00 0.00 42.92 42.77 1b6a s ASP 377 CO 0.44 -0.78 0.00 0.23 -0.17 0.00 0.00 175.17 174.89 1b6a n MET 378 N 0.25 -1.81 -2.04 4.34 2.81 -1.26 -3.70 117.12 115.71 1b6a n MET 378 Ca -0.18 1.19 -0.35 0.00 -1.81 0.00 0.00 57.70 56.56 1b6a n MET 378 Cb 0.61 -2.21 0.02 0.00 -0.71 0.00 0.00 33.22 30.93 1b6a n MET 378 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1b6a s GLU 379 N -1.75 3.07 0.14 0.03 2.12 -1.26 -4.76 118.70 116.29 1b6a s GLU 379 Ca 0.00 1.62 -0.21 0.00 0.36 0.00 0.00 54.97 56.74 1b6a s GLU 379 Cb 0.00 -1.97 -0.07 0.00 0.26 0.00 0.00 34.13 32.35 1b6a s GLU 379 CO 0.00 -1.08 0.66 0.00 -0.54 0.00 0.00 175.26 174.30 1b6a n SER 381 N 1.37 3.66 -4.76 0.00 3.41 -1.26 -4.95 113.62 111.07 1b6a n SER 381 Ca -0.07 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.19 1b6a n SER 381 Cb 0.50 0.38 -0.08 0.00 -0.26 0.00 0.00 64.21 64.75 1b6a n SER 381 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1b6a s HIS 382 N -1.72 3.45 0.05 7.33 3.76 -1.26 -2.47 115.29 124.42 1b6a s HIS 382 Ca 0.00 0.37 -0.00 0.00 -0.15 0.00 0.00 55.06 55.27 1b6a s HIS 382 Cb 0.00 -2.10 -0.04 0.00 1.11 0.00 0.00 32.58 31.56 1b6a s HIS 382 CO 0.00 0.40 -0.04 0.71 -0.85 0.00 0.00 174.74 174.96 1b6a s TYR 383 N 0.00 0.52 -0.27 1.40 1.51 -0.42 -1.05 117.35 119.04 1b6a s TYR 383 Ca 0.10 -0.93 -0.22 0.00 -1.01 0.00 0.00 57.07 55.01 1b6a s TYR 383 Cb -0.11 -0.37 0.07 0.00 -0.11 0.00 0.00 41.96 41.44 1b6a s TYR 383 CO -0.00 -0.30 0.70 1.41 -1.11 0.00 0.00 175.55 176.25 1b6a s MET 384 N -3.36 0.79 0.34 -0.62 1.75 -0.58 -0.98 119.30 116.64 1b6a s MET 384 Ca 0.03 1.07 -0.29 0.00 -1.25 0.00 0.00 55.69 55.25 1b6a s MET 384 Cb 0.04 0.32 -0.12 0.00 2.84 0.00 0.00 34.83 37.91 1b6a s MET 384 CO -0.07 -0.12 1.44 1.17 -0.65 0.00 0.00 175.02 176.79 1b6a n LYS 385 N 3.22 2.45 -2.03 4.11 4.81 -1.26 -1.09 118.16 128.38 1b6a n LYS 385 Ca -0.16 0.86 -0.42 0.00 -0.87 0.00 0.00 58.31 57.72 1b6a n LYS 385 Cb 0.56 -2.55 -0.03 0.00 0.02 0.00 0.00 35.03 33.04 1b6a n LYS 385 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1b6a s ASN 386 N -0.05 6.69 0.40 3.14 3.84 -0.28 -4.83 114.94 123.85 1b6a s ASN 386 Ca 0.57 2.36 0.13 0.00 0.21 0.00 0.00 52.86 56.13 1b6a s ASN 386 Cb -0.52 -2.56 0.83 0.00 -0.55 0.00 0.00 41.25 38.44 1b6a s ASN 386 CO 0.60 -0.83 1.90 0.15 -2.79 0.00 0.00 177.10 176.13 1b6a h PHE 387 N 8.09 0.04 0.00 0.43 3.57 -1.91 -2.26 116.94 124.90 1b6a h PHE 387 Ca -0.41 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.08 1b6a h PHE 387 Cb 1.19 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.92 1b6a h PHE 387 CO 0.76 0.30 -0.45 -0.25 -2.23 0.00 0.00 178.31 176.44 1b6a n ASP 388 N -4.21 0.47 -4.72 0.41 8.00 -1.26 -4.86 116.55 110.38 1b6a n ASP 388 Ca -0.02 -0.08 -0.41 0.00 0.71 0.00 0.00 54.79 54.99 1b6a n ASP 388 Cb 0.33 0.13 -0.04 0.00 -0.02 0.00 0.00 41.12 41.52 1b6a n ASP 388 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1b6a s VAL 389 N -3.03 4.64 0.00 2.53 1.01 -0.85 -5.04 120.40 119.66 1b6a s VAL 389 Ca 0.11 2.06 0.00 0.00 0.00 0.00 0.00 61.98 64.15 1b6a s VAL 389 Cb 0.17 -4.32 0.00 0.00 0.00 0.00 0.00 36.38 32.23 1b6a s VAL 389 CO 0.68 0.26 0.00 0.61 0.00 0.00 0.00 175.10 176.65 1b6a n GLY 390 N 2.49 0.66 3.65 4.51 0.00 -1.26 -4.96 105.19 110.29 1b6a n GLY 390 Ca 0.04 -1.92 -0.47 0.00 0.00 0.00 0.00 46.02 43.67 1b6a n GLY 390 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1b6a n HIS 391 N -1.05 2.12 -3.98 1.61 -0.00 -1.26 -5.00 115.22 107.65 1b6a n HIS 391 Ca 0.00 0.35 -0.30 0.00 -0.00 0.00 0.00 57.72 57.77 1b6a n HIS 391 Cb 0.00 -2.50 -0.16 0.00 -0.00 0.00 0.00 29.99 27.33 1b6a n HIS 391 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1b6a s VAL 392 N 0.76 1.51 0.04 3.57 1.01 -1.26 -5.11 120.40 120.92 1b6a s VAL 392 Ca 0.79 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 1b6a s VAL 392 Cb -0.73 -1.53 -0.07 0.00 0.00 0.00 0.00 36.38 34.05 1b6a s VAL 392 CO 0.40 0.29 1.53 -2.84 0.00 0.00 0.00 175.10 174.47 1b6a s PRO 393 N 1.48 4.24 -0.06 2.72 0.02 -1.26 -5.01 135.00 137.12 1b6a s PRO 393 Ca 0.02 2.15 0.03 0.00 0.02 0.00 0.00 61.00 63.22 1b6a s PRO 393 Cb -0.15 -3.57 0.01 0.00 0.02 0.00 0.00 34.50 30.81 1b6a s PRO 393 CO -0.09 -0.65 -0.14 0.42 -0.33 0.00 0.00 177.00 176.21 1b6a s ILE 394 N 2.48 1.26 -0.14 2.83 1.01 -1.26 -5.02 121.20 122.36 1b6a s ILE 394 Ca 0.69 -0.57 0.19 0.00 0.00 0.00 0.00 60.65 60.96 1b6a s ILE 394 Cb -0.36 -1.13 -0.28 0.00 0.01 0.00 0.00 42.46 40.70 1b6a s ILE 394 CO 0.29 0.38 0.20 0.54 0.00 0.00 0.00 174.94 176.36 1b6a n ARG 395 N 3.66 0.70 -1.68 2.79 1.74 -1.26 -4.72 116.66 117.89 1b6a n ARG 395 Ca -0.22 -0.07 -0.50 0.00 -0.77 0.00 0.00 57.85 56.30 1b6a n ARG 395 Cb 0.52 -1.51 -0.05 0.00 -1.02 0.00 0.00 32.46 30.40 1b6a n ARG 395 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1b6a n LEU 396 N -2.58 3.22 -0.10 0.55 4.77 -1.26 -4.86 117.00 116.74 1b6a n LEU 396 Ca -0.23 1.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.64 1b6a n LEU 396 Cb 0.96 -1.34 -0.03 0.00 -2.33 0.00 0.00 43.42 40.67 1b6a n LEU 396 CO 0.43 -0.15 0.75 -0.65 -1.33 0.00 0.00 177.39 176.44 1b6a h PRO 397 N 8.50 0.54 -0.12 3.23 0.11 -1.99 0.13 132.00 142.40 1b6a h PRO 397 Ca -0.48 -0.19 -0.16 0.00 0.11 0.00 0.00 66.00 65.28 1b6a h PRO 397 Cb 1.28 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1b6a h PRO 397 CO 0.94 0.71 -0.62 0.00 -0.21 0.00 0.00 178.00 178.82 1b6a h ARG 398 N 0.33 0.42 -0.30 1.05 3.08 -1.98 -0.82 114.38 116.16 1b6a h ARG 398 Ca 0.08 -0.29 -0.11 0.00 0.07 0.00 0.00 59.98 59.72 1b6a h ARG 398 Cb 0.48 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 1b6a h ARG 398 CO 0.02 0.91 -0.26 1.15 -1.07 0.00 0.00 179.97 180.72 1b6a h THR 399 N 0.31 1.30 -0.46 2.04 2.02 -1.84 -1.43 112.91 114.85 1b6a h THR 399 Ca -0.01 -1.42 -0.00 0.00 0.77 0.00 0.00 66.41 65.75 1b6a h THR 399 Cb 1.16 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 69.09 1b6a h THR 399 CO 0.11 0.46 0.27 0.50 0.37 0.00 0.00 175.52 177.23 1b6a h LYS 400 N 0.46 0.62 -0.48 6.66 3.64 -0.71 -1.11 116.57 125.65 1b6a h LYS 400 Ca 0.05 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1b6a h LYS 400 Cb 0.82 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 1b6a h LYS 400 CO 0.07 0.46 0.24 1.25 -2.27 0.00 0.00 179.45 179.19 1b6a h HIS 401 N 0.61 0.68 -0.59 1.91 2.76 -1.03 -1.20 115.15 118.28 1b6a h HIS 401 Ca 0.16 -0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.28 1b6a h HIS 401 Cb -0.00 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 28.72 1b6a h HIS 401 CO -0.03 0.53 0.25 1.25 -1.30 0.00 0.00 177.93 178.63 1b6a h LEU 402 N 0.63 0.80 -1.20 0.26 5.85 -1.07 -0.25 115.31 120.32 1b6a h LEU 402 Ca 0.17 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1b6a h LEU 402 Cb 0.10 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 1b6a h LEU 402 CO -0.02 0.74 0.31 0.25 -0.34 0.00 0.00 178.44 179.38 1b6a h LEU 403 N 0.81 0.78 -0.61 2.25 5.85 -1.02 -0.39 115.31 122.98 1b6a h LEU 403 Ca 0.20 -0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 1b6a h LEU 403 Cb 0.17 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1b6a h LEU 403 CO -0.02 0.65 0.12 0.78 -0.34 0.00 0.00 178.44 179.63 1b6a h ASN 404 N 0.87 0.95 -0.75 1.25 2.35 -0.44 0.13 115.58 119.94 1b6a h ASN 404 Ca 0.22 -0.25 0.04 0.00 -0.55 0.00 0.00 56.30 55.76 1b6a h ASN 404 Cb 0.07 -0.25 -0.05 0.00 0.05 0.00 0.00 38.32 38.14 1b6a h ASN 404 CO -0.03 0.95 0.46 0.58 -1.65 0.00 0.00 177.43 177.75 1b6a h VAL 405 N 0.91 1.08 -0.32 2.81 2.07 -0.44 -0.41 116.25 121.95 1b6a h VAL 405 Ca 0.19 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.35 1b6a h VAL 405 Cb 0.39 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1b6a h VAL 405 CO 0.01 0.16 -0.02 0.40 0.02 0.00 0.00 177.57 178.14 1b6a h ILE 406 N 0.89 1.26 -0.52 4.57 2.04 -0.64 -1.43 117.51 123.69 1b6a h ILE 406 Ca 0.31 -1.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.08 1b6a h ILE 406 Cb 0.05 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 1b6a h ILE 406 CO -0.13 0.33 -0.03 0.78 0.00 0.00 0.00 178.15 179.10 1b6a h ASN 407 N 0.37 0.88 -0.01 1.72 2.35 -0.60 0.65 115.58 120.94 1b6a h ASN 407 Ca 0.09 -0.24 -0.16 0.00 -0.55 0.00 0.00 56.30 55.44 1b6a h ASN 407 Cb 0.48 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1b6a h ASN 407 CO 0.02 0.96 -0.52 -0.33 -1.65 0.00 0.00 177.43 175.90 1b6a h GLU 408 N 0.83 0.58 0.00 0.81 5.08 -0.92 -3.15 114.58 117.81 1b6a h GLU 408 Ca 0.15 -0.35 -0.32 0.00 -1.00 0.00 0.00 59.36 57.83 1b6a h GLU 408 Cb 0.53 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.76 1b6a h GLU 408 CO 0.03 0.96 -2.22 0.09 -1.00 0.00 0.00 179.01 176.87 1b6a n ASN 409 N -3.97 1.18 -0.00 1.42 3.02 -0.55 -4.73 115.26 111.62 1b6a n ASN 409 Ca -0.03 -0.04 -0.00 0.00 -0.03 0.00 0.00 54.58 54.48 1b6a n ASN 409 Cb 0.59 0.53 -0.01 0.00 -0.61 0.00 0.00 39.78 40.28 1b6a n ASN 409 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1b6a n PHE 410 N -2.80 0.00 0.00 3.10 3.72 0.10 -4.79 117.46 116.79 1b6a n PHE 410 Ca -0.32 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.08 1b6a n PHE 410 Cb 1.02 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 39.52 1b6a n PHE 410 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1b6a n GLY 411 N 2.81 3.79 0.96 1.37 0.00 -0.50 -1.05 105.19 112.57 1b6a n GLY 411 Ca -0.01 0.13 0.10 0.00 0.00 0.00 0.00 46.02 46.24 1b6a n GLY 411 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1b6a n THR 412 N 0.00 0.56 -2.76 2.61 -2.24 -1.26 -4.50 114.28 106.68 1b6a n THR 412 Ca 0.00 -0.66 -0.33 0.00 -2.27 0.00 0.00 64.05 60.80 1b6a n THR 412 Cb 0.00 0.55 -0.06 0.00 -2.10 0.00 0.00 70.33 68.72 1b6a n THR 412 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1b6a s LEU 413 N -1.27 3.87 0.62 3.22 1.43 -0.21 -4.63 118.68 121.70 1b6a s LEU 413 Ca 0.37 1.56 -0.15 0.00 -1.03 0.00 0.00 54.13 54.87 1b6a s LEU 413 Cb 0.20 -4.43 -0.02 0.00 0.03 0.00 0.00 46.19 41.97 1b6a s LEU 413 CO 0.27 -0.40 1.08 0.00 0.23 0.00 0.00 176.35 177.53 1b6a s ALA 414 N -2.28 2.65 0.27 4.21 0.00 -1.22 -4.58 121.76 120.82 1b6a s ALA 414 Ca 0.59 0.44 0.01 0.00 0.00 0.00 0.00 51.96 53.00 1b6a s ALA 414 Cb -0.09 -3.26 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 1b6a s ALA 414 CO 0.20 -0.97 0.26 -0.59 0.00 0.00 0.00 175.76 174.66 1b6a s PHE 415 N -2.42 1.29 0.31 0.00 -0.71 -0.15 -4.36 117.98 111.94 1b6a s PHE 415 Ca 0.65 -1.41 0.03 0.00 -1.04 0.00 0.00 56.93 55.15 1b6a s PHE 415 Cb -0.17 -0.48 -0.04 0.00 -1.21 0.00 0.00 43.02 41.11 1b6a s PHE 415 CO 0.39 -0.82 0.13 0.00 -1.34 0.00 0.00 175.22 173.57 1b6a h ARG 417 N 2.18 0.66 -0.51 0.00 3.08 -1.84 -2.00 114.38 115.95 1b6a h ARG 417 Ca -0.36 -0.16 0.02 0.00 0.07 0.00 0.00 59.98 59.54 1b6a h ARG 417 Cb 1.25 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 31.19 1b6a h ARG 417 CO 0.57 0.69 0.34 0.00 -1.07 0.00 0.00 179.97 180.50 1b6a h ARG 418 N 0.63 0.63 0.00 0.04 3.08 -1.88 -1.15 114.38 115.73 1b6a h ARG 418 Ca 0.13 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.09 1b6a h ARG 418 Cb 0.40 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1b6a h ARG 418 CO 0.02 0.41 -0.25 -1.49 -1.07 0.00 0.00 179.97 177.59 1b6a h TRP 419 N 0.65 0.00 0.06 3.04 4.06 -1.78 -1.76 115.95 120.22 1b6a h TRP 419 Ca 0.20 0.00 -0.27 0.00 2.06 0.00 0.00 58.89 60.87 1b6a h TRP 419 Cb -0.00 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.18 1b6a h TRP 419 CO -0.00 0.25 -1.12 -0.07 -3.56 0.00 0.00 178.44 173.95 1b6a h LEU 420 N 0.00 0.79 -0.84 -4.49 3.38 -1.05 -3.25 115.31 109.86 1b6a h LEU 420 Ca -0.00 -0.68 0.04 0.00 0.09 0.00 0.00 57.88 57.33 1b6a h LEU 420 Cb 0.72 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 1b6a h LEU 420 CO 0.03 1.49 0.53 0.44 0.09 0.00 0.00 178.44 181.02 1b6a h ASP 421 N 0.29 0.86 0.86 -0.43 3.32 -1.05 -2.22 116.42 118.06 1b6a h ASP 421 Ca -0.14 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.89 1b6a h ASP 421 Cb 1.78 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 41.14 1b6a h ASP 421 CO 0.21 0.58 -0.09 0.08 -1.72 0.00 0.00 179.24 178.30 1b6a h ARG 422 N 1.01 0.00 -0.06 3.56 0.11 -1.41 -1.03 114.38 116.56 1b6a h ARG 422 Ca 0.34 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.42 1b6a h ARG 422 Cb 0.06 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.14 1b6a h ARG 422 CO -0.13 0.09 0.00 1.28 0.10 0.00 0.00 179.97 181.31 1b6a n LEU 423 N -3.26 0.62 0.00 0.08 4.77 -0.87 -4.90 117.00 113.44 1b6a n LEU 423 Ca -0.00 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 1b6a n LEU 423 Cb 0.33 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1b6a n LEU 423 CO 0.29 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1b6a n GLY 424 N 0.91 0.70 3.77 -0.72 0.00 -0.39 -5.04 105.19 104.42 1b6a n GLY 424 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1b6a n GLY 424 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1b6a s GLU 425 N -0.39 4.64 0.12 1.61 0.41 -0.99 -5.03 118.70 119.06 1b6a s GLU 425 Ca 0.00 1.49 -0.06 0.00 -0.41 0.00 0.00 54.97 55.99 1b6a s GLU 425 Cb 0.00 -3.00 -0.02 0.00 -1.78 0.00 0.00 34.13 29.33 1b6a s GLU 425 CO 0.00 0.30 0.16 -1.54 -0.49 0.00 0.00 175.26 173.69 1b6a s SER 426 N -1.34 0.19 -1.29 -0.19 1.04 -1.26 -4.36 113.70 106.49 1b6a s SER 426 Ca 0.47 -0.89 -0.03 0.00 0.48 0.00 0.00 55.95 55.98 1b6a s SER 426 Cb -0.24 0.34 0.01 0.00 0.10 0.00 0.00 66.02 66.23 1b6a s SER 426 CO 0.30 -0.77 0.98 0.29 0.98 0.00 0.00 173.24 175.02 1b6a n LYS 427 N -0.09 -6.50 0.00 4.02 5.02 -1.26 -4.88 118.16 114.47 1b6a n LYS 427 Ca -0.10 0.77 0.04 0.00 -2.02 0.00 0.00 58.31 57.00 1b6a n LYS 427 Cb 0.63 -5.70 -0.00 0.00 -0.02 0.00 0.00 35.03 29.94 1b6a n LYS 427 CO 0.00 0.00 0.00 2.48 -0.52 0.00 0.00 177.40 179.36 1b6a n TYR 428 N -4.42 0.00 -0.04 2.13 0.18 -1.26 -4.73 117.16 109.03 1b6a n TYR 428 Ca -0.19 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.48 1b6a n TYR 428 Cb 0.63 0.00 0.03 0.00 -0.38 0.00 0.00 39.34 39.63 1b6a n TYR 428 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 176.86 174.71 1b6a h LEU 429 N 0.87 0.77 -0.56 -3.48 3.38 -1.99 0.16 115.31 114.46 1b6a h LEU 429 Ca 0.00 -0.38 -0.12 0.00 0.09 0.00 0.00 57.88 57.46 1b6a h LEU 429 Cb 0.27 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1b6a h LEU 429 CO 0.00 1.12 -0.20 -0.03 0.09 0.00 0.00 178.44 179.42 1b6a h MET 430 N 0.56 0.94 -0.89 1.13 4.05 -1.99 0.69 114.93 119.41 1b6a h MET 430 Ca 0.03 -0.39 0.00 0.00 -0.28 0.00 0.00 59.70 59.06 1b6a h MET 430 Cb 1.04 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 31.75 1b6a h MET 430 CO 0.10 1.05 0.56 0.00 0.23 0.00 0.00 176.91 178.85 1b6a h ALA 431 N 0.94 1.32 -0.49 0.39 0.00 -1.66 -0.15 119.26 119.61 1b6a h ALA 431 Ca 0.11 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1b6a h ALA 431 Cb 0.76 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1b6a h ALA 431 CO 0.06 0.61 -0.15 1.25 0.00 0.00 0.00 179.25 181.02 1b6a h LEU 432 N 1.22 0.96 -0.70 0.00 5.85 -0.40 -1.02 115.31 121.22 1b6a h LEU 432 Ca 0.32 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1b6a h LEU 432 Cb -0.10 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.64 1b6a h LEU 432 CO -0.07 1.10 0.32 0.50 -0.34 0.00 0.00 178.44 179.96 1b6a h LYS 433 N 0.84 1.03 -0.70 1.25 3.64 -0.52 -1.34 116.57 120.77 1b6a h LYS 433 Ca 0.12 -0.16 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1b6a h LYS 433 Cb 0.70 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 32.30 1b6a h LYS 433 CO 0.05 0.82 0.44 -0.91 -2.27 0.00 0.00 179.45 177.59 1b6a h ASN 434 N 0.99 0.73 0.30 4.20 2.35 -0.57 0.14 115.58 123.73 1b6a h ASN 434 Ca 0.24 -0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.90 1b6a h ASN 434 Cb 0.15 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1b6a h ASN 434 CO -0.03 0.51 -0.37 -0.07 -1.65 0.00 0.00 177.43 175.83 1b6a h LEU 435 N 0.87 0.10 -0.26 1.61 3.38 -0.73 -0.46 115.31 119.82 1b6a h LEU 435 Ca 0.28 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 58.08 1b6a h LEU 435 Cb 0.00 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1b6a h LEU 435 CO -0.10 0.46 -0.34 0.00 0.09 0.00 0.00 178.44 178.55 1b6a h ASP 437 N 0.41 0.11 0.86 0.00 3.32 -0.47 -1.37 116.42 119.28 1b6a h ASP 437 Ca 0.03 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1b6a h ASP 437 Cb 0.93 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.45 1b6a h ASP 437 CO 0.08 0.45 0.00 0.18 -1.72 0.00 0.00 179.24 178.23 1b6a n LEU 438 N -4.11 0.31 -0.06 1.55 4.77 -0.21 -4.91 117.00 114.35 1b6a n LEU 438 Ca -0.02 0.55 -0.01 0.00 -0.03 0.00 0.00 56.01 56.51 1b6a n LEU 438 Cb 0.40 -0.49 -0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1b6a n LEU 438 CO 0.40 -0.25 -0.01 0.61 -1.33 0.00 0.00 177.39 176.81 1b6a n GLY 439 N 0.61 0.48 0.17 -0.72 0.00 -0.52 -4.91 105.19 100.30 1b6a n GLY 439 Ca 0.04 -0.24 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 1b6a n GLY 439 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1b6a h ILE 440 N 0.00 1.30 -4.14 -0.61 2.04 -1.42 -3.43 117.51 111.25 1b6a h ILE 440 Ca -0.02 -2.50 -0.69 0.00 1.00 0.00 0.00 64.86 62.65 1b6a h ILE 440 Cb 0.17 2.69 -0.24 0.00 -0.74 0.00 0.00 36.82 38.70 1b6a h ILE 440 CO 0.03 0.76 -0.84 -0.69 0.00 0.00 0.00 178.15 177.40 1b6a s VAL 441 N -2.98 2.50 -0.09 1.67 1.01 -0.77 -1.12 120.40 120.60 1b6a s VAL 441 Ca -0.09 -1.25 0.00 0.00 0.00 0.00 0.00 61.98 60.64 1b6a s VAL 441 Cb 0.06 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 1b6a s VAL 441 CO 0.93 0.37 -0.08 -1.81 0.00 0.00 0.00 175.10 174.50 1b6a s ASP 442 N -1.29 4.47 0.29 3.32 1.01 -0.25 -3.90 116.67 120.32 1b6a s ASP 442 Ca 0.13 -0.12 -0.22 0.00 0.71 0.00 0.00 52.55 53.04 1b6a s ASP 442 Cb -0.10 -1.33 -0.09 0.00 1.01 0.00 0.00 42.92 42.41 1b6a s ASP 442 CO 0.03 0.28 0.84 -2.16 0.21 0.00 0.00 175.17 174.38 1b6a s PRO 443 N -0.34 4.38 -0.51 8.23 0.04 -1.26 -1.52 135.00 144.01 1b6a s PRO 443 Ca 0.04 1.08 0.03 0.00 0.04 0.00 0.00 61.00 62.20 1b6a s PRO 443 Cb -0.12 -2.75 0.15 0.00 0.04 0.00 0.00 34.50 31.82 1b6a s PRO 443 CO 0.02 0.29 0.33 0.71 0.04 0.00 0.00 177.00 178.39 1b6a s TYR 444 N -1.65 2.27 0.81 0.56 1.51 -0.22 -4.97 117.35 115.66 1b6a s TYR 444 Ca 0.49 -2.69 -0.11 0.00 -1.01 0.00 0.00 57.07 53.75 1b6a s TYR 444 Cb -0.16 -1.94 0.08 0.00 -0.11 0.00 0.00 41.96 39.83 1b6a s TYR 444 CO 0.21 -0.73 1.09 -1.25 -1.11 0.00 0.00 175.55 173.77 1b6a s PRO 445 N -0.23 1.93 0.35 -1.71 0.04 -1.26 -4.08 135.00 130.03 1b6a s PRO 445 Ca 0.23 0.95 -0.27 0.00 0.04 0.00 0.00 61.00 61.95 1b6a s PRO 445 Cb -0.13 -1.88 -0.12 0.00 0.04 0.00 0.00 34.50 32.42 1b6a s PRO 445 CO -0.09 -1.81 1.22 -2.30 0.04 0.00 0.00 177.00 174.06 1b6a n PRO 446 N -3.61 1.91 -3.87 0.56 -0.02 -1.22 -4.80 135.00 123.96 1b6a n PRO 446 Ca 0.08 0.67 -0.36 0.00 -2.02 0.00 0.00 63.50 61.88 1b6a n PRO 446 Cb 0.54 -2.24 -0.14 0.00 -0.02 0.00 0.00 33.50 31.65 1b6a n PRO 446 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1b6a s LEU 447 N -0.84 3.59 0.04 2.45 1.43 -0.06 -1.30 118.68 123.98 1b6a s LEU 447 Ca 0.57 -0.90 0.06 0.00 -1.03 0.00 0.00 54.13 52.83 1b6a s LEU 447 Cb -0.58 -1.76 -0.02 0.00 0.03 0.00 0.00 46.19 43.86 1b6a s LEU 447 CO 0.61 -0.18 -0.16 0.00 0.23 0.00 0.00 176.35 176.85 1b6a n ASP 449 N 1.89 0.21 -4.74 0.00 -0.08 0.49 -1.09 116.55 113.22 1b6a n ASP 449 Ca -0.18 -1.25 -0.33 0.00 -1.51 0.00 0.00 54.79 51.52 1b6a n ASP 449 Cb 0.54 -0.29 0.08 0.00 2.34 0.00 0.00 41.12 43.80 1b6a n ASP 449 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 1b6a s ILE 450 N -1.50 2.86 0.29 5.18 -4.36 -1.26 -4.77 121.20 117.63 1b6a s ILE 450 Ca 0.24 0.37 -0.30 0.00 -0.26 0.00 0.00 60.65 60.69 1b6a s ILE 450 Cb -0.01 -2.83 -0.12 0.00 1.25 0.00 0.00 42.46 40.75 1b6a s ILE 450 CO 0.16 -0.28 1.55 1.17 0.24 0.00 0.00 174.94 177.79 1b6a n LYS 451 N -2.93 2.57 0.00 0.37 0.00 -1.26 -1.66 118.16 115.25 1b6a n LYS 451 Ca 0.11 0.91 0.00 0.00 0.00 0.00 0.00 58.31 59.33 1b6a n LYS 451 Cb 0.52 -2.67 0.00 0.00 0.00 0.00 0.00 35.03 32.88 1b6a n LYS 451 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1b6a n GLY 452 N 2.09 1.37 3.90 3.14 0.00 -1.26 -5.05 105.19 109.38 1b6a n GLY 452 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 1b6a n GLY 452 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b6a s SER 453 N -1.97 6.19 -0.09 1.61 1.04 -0.66 -4.99 113.70 114.83 1b6a s SER 453 Ca 0.00 0.99 0.04 0.00 0.48 0.00 0.00 55.95 57.46 1b6a s SER 453 Cb 0.00 -2.23 -0.01 0.00 0.10 0.00 0.00 66.02 63.88 1b6a s SER 453 CO 0.00 -0.68 -0.21 -0.31 0.98 0.00 0.00 173.24 173.02 1b6a s TYR 454 N -2.84 2.60 0.05 5.02 2.02 -1.26 -2.23 117.35 120.70 1b6a s TYR 454 Ca 0.49 -0.79 0.06 0.00 -0.37 0.00 0.00 57.07 56.47 1b6a s TYR 454 Cb -0.10 -1.71 -0.02 0.00 -0.40 0.00 0.00 41.96 39.72 1b6a s TYR 454 CO 0.47 -0.26 -0.18 0.95 -1.57 0.00 0.00 175.55 174.95 1b6a s THR 455 N 0.12 1.42 0.08 -0.71 -4.23 -0.70 -1.27 115.64 110.34 1b6a s THR 455 Ca -0.10 -1.16 0.02 0.00 -1.18 0.00 0.00 61.69 59.27 1b6a s THR 455 Cb -0.16 -1.26 -0.03 0.00 1.34 0.00 0.00 72.50 72.39 1b6a s THR 455 CO 0.06 0.07 -0.08 0.00 -0.54 0.00 0.00 174.62 174.13 1b6a s ALA 456 N -0.88 0.87 -0.07 3.99 0.00 -0.28 -4.75 121.76 120.62 1b6a s ALA 456 Ca 0.04 -1.10 -0.06 0.00 0.00 0.00 0.00 51.96 50.85 1b6a s ALA 456 Cb -0.09 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.14 1b6a s ALA 456 CO 0.02 -0.11 0.18 -1.14 0.00 0.00 0.00 175.76 174.71 1b6a s GLN 457 N -2.78 0.19 0.05 0.00 0.74 -1.26 -1.27 119.66 115.33 1b6a s GLN 457 Ca 0.02 0.28 0.03 0.00 0.05 0.00 0.00 55.36 55.75 1b6a s GLN 457 Cb -0.02 0.05 -0.02 0.00 1.10 0.00 0.00 33.01 34.11 1b6a s GLN 457 CO -0.02 -0.05 -0.11 -0.06 -0.55 0.00 0.00 175.29 174.50 1b6a s PHE 458 N 0.31 0.91 -0.13 1.67 0.08 -1.08 -3.09 117.98 116.65 1b6a s PHE 458 Ca -0.02 -0.44 -0.21 0.00 0.12 0.00 0.00 56.93 56.39 1b6a s PHE 458 Cb -0.03 -0.53 0.05 0.00 -0.57 0.00 0.00 43.02 41.94 1b6a s PHE 458 CO -0.01 -0.02 0.52 -2.00 -0.10 0.00 0.00 175.22 173.61 1b6a s GLU 459 N -1.47 0.74 0.11 0.44 2.12 -0.50 -1.84 118.70 118.29 1b6a s GLU 459 Ca -0.05 0.44 0.03 0.00 0.36 0.00 0.00 54.97 55.75 1b6a s GLU 459 Cb -0.09 0.35 -0.04 0.00 0.26 0.00 0.00 34.13 34.61 1b6a s GLU 459 CO 0.01 -0.16 -0.09 -1.01 -0.54 0.00 0.00 175.26 173.48 1b6a s HIS 460 N -0.39 1.03 -0.15 5.30 3.76 -0.62 -2.23 115.29 121.99 1b6a s HIS 460 Ca -0.05 -0.77 -0.11 0.00 -0.15 0.00 0.00 55.06 53.97 1b6a s HIS 460 Cb -0.03 -0.56 -0.05 0.00 1.11 0.00 0.00 32.58 33.05 1b6a s HIS 460 CO 0.04 -0.04 0.22 0.99 -0.85 0.00 0.00 174.74 175.10 1b6a s THR 461 N -3.06 5.35 0.03 1.30 2.01 -1.21 -0.96 115.64 119.10 1b6a s THR 461 Ca 0.10 0.40 0.08 0.00 0.31 0.00 0.00 61.69 62.58 1b6a s THR 461 Cb 0.01 -3.54 -0.02 0.00 0.01 0.00 0.00 72.50 68.95 1b6a s THR 461 CO -0.02 0.47 -0.24 0.27 -0.69 0.00 0.00 174.62 174.41 1b6a s ILE 462 N -0.00 1.91 -0.19 1.82 -4.36 0.79 -2.14 121.20 119.03 1b6a s ILE 462 Ca 0.14 -1.21 -0.06 0.00 -0.26 0.00 0.00 60.65 59.26 1b6a s ILE 462 Cb -0.12 -1.63 -0.03 0.00 1.25 0.00 0.00 42.46 41.92 1b6a s ILE 462 CO 0.03 0.37 0.03 -0.76 0.24 0.00 0.00 174.94 174.85 1b6a s LEU 463 N -1.01 3.55 -1.20 0.37 1.43 0.41 -1.26 118.68 120.98 1b6a s LEU 463 Ca 0.10 -0.06 -0.13 0.00 -1.03 0.00 0.00 54.13 53.01 1b6a s LEU 463 Cb -0.09 -1.90 0.19 0.00 0.03 0.00 0.00 46.19 44.42 1b6a s LEU 463 CO 0.01 0.12 1.40 0.18 0.23 0.00 0.00 176.35 178.29 1b6a n LEU 464 N 3.88 5.32 -4.83 1.79 4.77 0.00 -1.39 117.00 126.54 1b6a n LEU 464 Ca -0.17 -4.57 -0.31 0.00 -0.03 0.00 0.00 56.01 50.93 1b6a n LEU 464 Cb 0.52 -1.59 0.02 0.00 -2.33 0.00 0.00 43.42 40.04 1b6a n LEU 464 CO 0.33 0.86 0.71 -0.13 -1.33 0.00 0.00 177.39 177.83 1b6a s ARG 465 N 1.02 3.30 0.37 3.23 0.52 -0.77 -0.11 118.95 126.50 1b6a s ARG 465 Ca 0.41 0.95 0.05 0.00 -0.52 0.00 0.00 55.73 56.62 1b6a s ARG 465 Cb -0.04 -2.04 0.74 0.00 0.52 0.00 0.00 34.95 34.14 1b6a s ARG 465 CO -0.01 -0.81 1.99 -1.35 0.02 0.00 0.00 175.30 175.14 1b6a h PRO 466 N -0.19 0.72 0.00 3.54 0.11 -1.93 -3.04 132.00 131.21 1b6a h PRO 466 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1b6a h PRO 466 Cb 1.20 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1b6a h PRO 466 CO 0.59 0.48 -0.79 0.25 -0.21 0.00 0.00 178.00 178.31 1b6a n THR 467 N -4.46 0.07 0.00 -1.15 -2.24 -1.26 -4.92 114.28 100.32 1b6a n THR 467 Ca 0.08 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1b6a n THR 467 Cb 0.14 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 1b6a n THR 467 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1b6a s LYS 469 N -2.00 4.24 -0.24 0.00 2.20 -0.23 -1.85 119.74 121.85 1b6a s LYS 469 Ca 0.00 0.14 -0.01 0.00 -0.36 0.00 0.00 55.97 55.74 1b6a s LYS 469 Cb 0.00 -3.41 0.03 0.00 -1.51 0.00 0.00 37.83 32.93 1b6a s LYS 469 CO 0.00 0.26 -0.08 -2.00 -0.36 0.00 0.00 175.35 173.17 1b6a s GLU 470 N 0.40 2.81 -1.08 4.03 2.12 -0.48 -0.18 118.70 126.31 1b6a s GLU 470 Ca 0.18 -0.99 -0.20 0.00 0.36 0.00 0.00 54.97 54.32 1b6a s GLU 470 Cb -0.13 -2.94 0.09 0.00 0.26 0.00 0.00 34.13 31.41 1b6a s GLU 470 CO 0.05 -0.39 1.44 0.08 -0.54 0.00 0.00 175.26 175.89 1b6a s VAL 471 N 1.31 4.28 0.25 3.70 1.01 0.42 -0.44 120.40 130.93 1b6a s VAL 471 Ca -0.00 -1.43 0.14 0.00 0.00 0.00 0.00 61.98 60.69 1b6a s VAL 471 Cb -0.17 -5.01 0.05 0.00 0.00 0.00 0.00 36.38 31.25 1b6a s VAL 471 CO -0.05 -1.82 1.69 1.62 0.00 0.00 0.00 175.10 176.53 1b6a h VAL 472 N 6.05 1.21 -0.34 2.92 3.04 -1.71 -2.04 116.25 125.39 1b6a h VAL 472 Ca 0.26 -1.79 0.00 0.00 -1.01 0.00 0.00 66.70 64.16 1b6a h VAL 472 Cb 0.97 2.00 0.00 0.00 -2.01 0.00 0.00 31.29 32.25 1b6a h VAL 472 CO 1.34 0.49 0.00 -1.54 -1.01 0.00 0.00 177.57 176.85 1b6a n SER 473 N -3.74 2.60 -4.78 3.17 3.41 -1.23 -4.28 113.62 108.76 1b6a n SER 473 Ca -0.01 -1.89 -0.41 0.00 -0.26 0.00 0.00 58.87 56.30 1b6a n SER 473 Cb 0.55 -0.22 -0.00 0.00 -0.26 0.00 0.00 64.21 64.28 1b6a n SER 473 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1b6a n ARG 474 N 0.93 2.70 -1.86 4.33 3.00 -0.81 -4.90 116.66 120.05 1b6a n ARG 474 Ca 0.18 0.95 0.00 0.00 -0.00 0.00 0.00 57.85 58.97 1b6a n ARG 474 Cb 0.46 -2.69 0.00 0.00 0.00 0.00 0.00 32.46 30.23 1b6a n ARG 474 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1b6a n GLY 475 N 0.59 4.34 0.14 5.14 0.00 -1.26 -4.76 105.19 109.38 1b6a n GLY 475 Ca 0.02 -2.01 0.14 0.00 0.00 0.00 0.00 46.02 44.17 1b6a n GLY 475 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1b6a n ASP 476 N -1.56 0.54 -0.10 1.61 5.68 -1.26 -4.03 116.55 117.42 1b6a n ASP 476 Ca 0.00 -0.65 -0.23 0.00 -0.50 0.00 0.00 54.79 53.41 1b6a n ASP 476 Cb 0.00 -0.05 -0.11 0.00 -1.14 0.00 0.00 41.12 39.81 1b6a n ASP 476 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1b6a n ASP 477 N -0.88 1.90 0.00 -1.12 5.68 -1.26 -5.28 116.55 115.58 1b6a n ASP 477 Ca 0.15 0.39 0.00 0.00 -0.50 0.00 0.00 54.79 54.82 1b6a n ASP 477 Cb 0.28 -0.93 0.00 0.00 -1.14 0.00 0.00 41.12 39.33 1b6a n ASP 477 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87