#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a1i s SER 100 N 0.00 6.70 0.11 1.20 0.01 -1.26 -4.49 113.70 115.97 2a1i s SER 100 Ca 0.00 1.00 -0.30 0.00 1.31 0.00 0.00 55.95 57.96 2a1i s SER 100 Cb 0.00 -2.26 -0.06 0.00 0.21 0.00 0.00 66.02 63.91 2a1i s SER 100 CO 0.00 -0.03 1.12 -0.63 0.41 0.00 0.00 173.24 174.10 2a1i s ILE 101 N -1.73 4.08 -0.18 1.44 1.01 -0.18 -4.90 121.20 120.73 2a1i s ILE 101 Ca 0.45 1.63 -0.08 0.00 0.00 0.00 0.00 60.65 62.65 2a1i s ILE 101 Cb -0.12 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 2a1i s ILE 101 CO 0.20 0.20 0.08 -0.63 0.00 0.00 0.00 174.94 174.80 2a1i s ILE 102 N 0.40 4.97 -0.09 2.92 -1.09 -0.97 -1.88 121.20 125.46 2a1i s ILE 102 Ca 0.53 0.03 0.04 0.00 -2.23 0.00 0.00 60.65 59.02 2a1i s ILE 102 Cb -0.28 -3.24 -0.00 0.00 -1.58 0.00 0.00 42.46 37.35 2a1i s ILE 102 CO 0.32 0.46 -0.23 -0.69 -1.23 0.00 0.00 174.94 173.57 2a1i s VAL 103 N 0.29 2.17 0.31 2.92 1.01 0.28 -0.67 120.40 126.72 2a1i s VAL 103 Ca 0.05 -0.99 -0.29 0.00 0.00 0.00 0.00 61.98 60.75 2a1i s VAL 103 Cb -0.12 -1.82 -0.10 0.00 0.00 0.00 0.00 36.38 34.34 2a1i s VAL 103 CO -0.00 0.56 1.26 -0.55 0.00 0.00 0.00 175.10 176.37 2a1i s SER 104 N 0.18 6.89 0.42 3.32 0.15 -0.51 -0.71 113.70 123.44 2a1i s SER 104 Ca -0.14 2.58 0.24 0.00 0.70 0.00 0.00 55.95 59.33 2a1i s SER 104 Cb -0.17 -2.64 1.28 0.00 -1.71 0.00 0.00 66.02 62.78 2a1i s SER 104 CO 0.07 -0.45 1.69 -0.65 1.20 0.00 0.00 173.24 175.10 2a1i h PRO 105 N 3.60 0.00 0.00 5.44 0.11 -1.92 -0.21 132.00 139.01 2a1i h PRO 105 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2a1i h PRO 105 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2a1i h PRO 105 CO 0.66 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.45 2a1i h ARG 106 N 0.00 0.00 -0.01 1.05 3.08 -1.95 -1.87 114.38 114.69 2a1i h ARG 106 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2a1i h ARG 106 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2a1i h ARG 106 CO 0.00 0.00 -0.06 1.04 -1.07 0.00 0.00 179.97 179.88 2a1i n GLN 107 N -2.91 0.97 -1.69 0.04 1.13 -0.09 -4.93 117.38 109.88 2a1i n GLN 107 Ca -0.00 -0.32 -0.43 0.00 -1.94 0.00 0.00 57.00 54.30 2a1i n GLN 107 Cb 0.22 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 29.05 2a1i n GLN 107 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 2a1i n ARG 108 N -0.73 2.66 0.00 -1.09 0.63 -0.71 -1.15 116.66 116.27 2a1i n ARG 108 Ca 0.18 0.96 0.00 0.00 -0.92 0.00 0.00 57.85 58.07 2a1i n ARG 108 Cb 0.25 -2.82 0.00 0.00 0.45 0.00 0.00 32.46 30.34 2a1i n ARG 108 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2a1i n GLY 109 N 4.04 1.18 3.66 5.14 0.00 -1.26 -5.03 105.19 112.91 2a1i n GLY 109 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 2a1i n GLY 109 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2a1i s ASN 110 N -2.44 6.86 0.26 1.61 3.84 -0.30 -4.87 114.94 119.90 2a1i s ASN 110 Ca 0.00 1.86 0.19 0.00 0.21 0.00 0.00 52.86 55.12 2a1i s ASN 110 Cb 0.00 -2.54 0.97 0.00 -0.55 0.00 0.00 41.25 39.14 2a1i s ASN 110 CO 0.00 -0.81 1.58 -0.81 -2.79 0.00 0.00 177.10 174.27 2a1i n PRO 111 N 6.74 0.13 -0.35 0.43 -0.04 -1.26 -1.81 135.00 138.83 2a1i n PRO 111 Ca 0.15 0.57 0.13 0.00 -0.04 0.00 0.00 63.50 64.31 2a1i n PRO 111 Cb 0.44 -1.87 0.31 0.00 -0.04 0.00 0.00 33.50 32.34 2a1i n PRO 111 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2a1i h VAL 112 N 0.00 0.71 -0.07 0.52 2.07 -1.90 -2.17 116.25 115.41 2a1i h VAL 112 Ca 0.00 -0.26 0.01 0.00 0.82 0.00 0.00 66.70 67.27 2a1i h VAL 112 Cb 0.07 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 29.72 2a1i h VAL 112 CO 0.00 0.14 0.05 -0.07 0.02 0.00 0.00 177.57 177.71 2a1i h LEU 113 N 0.76 0.05 -2.29 2.57 3.38 -1.71 0.73 115.31 118.80 2a1i h LEU 113 Ca 0.57 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.54 2a1i h LEU 113 Cb 0.88 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 2a1i h LEU 113 CO -0.38 0.03 -0.01 0.11 0.09 0.00 0.00 178.44 178.28 2a1i h LYS 114 N 0.05 0.00 -0.64 1.13 1.57 -1.60 -2.61 116.57 114.48 2a1i h LYS 114 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2a1i h LYS 114 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 2a1i h LYS 114 CO -0.00 0.01 0.00 1.19 -0.57 0.00 0.00 179.45 180.08 2a1i n PHE 115 N -4.04 0.85 -3.29 -1.35 3.01 0.24 -4.67 117.46 108.21 2a1i n PHE 115 Ca -0.03 -0.48 -0.46 0.00 1.01 0.00 0.00 57.45 57.49 2a1i n PHE 115 Cb 0.10 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 39.53 2a1i n PHE 115 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 2a1i s VAL 116 N -1.03 5.44 0.00 -4.37 1.01 -0.99 -4.20 120.40 116.26 2a1i s VAL 116 Ca 0.44 -2.13 0.00 0.00 0.00 0.00 0.00 61.98 60.28 2a1i s VAL 116 Cb 0.23 -4.46 0.00 0.00 0.00 0.00 0.00 36.38 32.15 2a1i s VAL 116 CO 0.30 -1.02 0.00 0.54 0.00 0.00 0.00 175.10 174.92 2a1i n ARG 117 N 4.51 1.66 -0.08 2.72 1.74 -1.26 -4.73 116.66 121.23 2a1i n ARG 117 Ca 0.07 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.21 2a1i n ARG 117 Cb 0.45 -0.85 0.10 0.00 -1.02 0.00 0.00 32.46 31.14 2a1i n ARG 117 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2a1i n ASN 118 N -1.16 2.41 -3.97 0.55 3.02 -1.26 -4.91 115.26 109.93 2a1i n ASN 118 Ca 0.00 -1.70 -0.11 0.00 -0.03 0.00 0.00 54.58 52.74 2a1i n ASN 118 Cb 0.00 -0.10 -0.12 0.00 -0.61 0.00 0.00 39.78 38.95 2a1i n ASN 118 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2a1i s VAL 119 N -1.00 0.21 0.67 2.41 -7.23 -1.26 -5.15 120.40 109.05 2a1i s VAL 119 Ca 0.18 -0.68 -0.16 0.00 -1.81 0.00 0.00 61.98 59.52 2a1i s VAL 119 Cb 0.11 -0.29 0.01 0.00 0.56 0.00 0.00 36.38 36.77 2a1i s VAL 119 CO 0.16 -0.30 1.19 -2.16 -0.31 0.00 0.00 175.10 173.67 2a1i s PRO 120 N -1.03 2.55 0.04 4.82 0.04 -1.26 -4.88 135.00 135.27 2a1i s PRO 120 Ca -0.09 1.70 -0.04 0.00 0.04 0.00 0.00 61.00 62.61 2a1i s PRO 120 Cb -0.07 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 2a1i s PRO 120 CO -0.00 -1.51 0.05 1.67 0.04 0.00 0.00 177.00 177.25 2a1i s TRP 121 N -1.93 0.26 0.00 0.56 1.48 -1.26 -1.02 118.94 117.04 2a1i s TRP 121 Ca 0.74 -0.60 -0.15 0.00 -1.06 0.00 0.00 56.10 55.03 2a1i s TRP 121 Cb -0.28 -0.19 0.02 0.00 -1.16 0.00 0.00 33.47 31.87 2a1i s TRP 121 CO 0.40 -0.34 0.33 -1.83 -4.06 0.00 0.00 176.95 171.46 2a1i s GLU 122 N -2.61 0.74 0.48 3.25 -1.05 -0.79 -4.93 118.70 113.78 2a1i s GLU 122 Ca -0.05 -0.27 -0.23 0.00 -0.15 0.00 0.00 54.97 54.27 2a1i s GLU 122 Cb -0.01 0.32 -0.07 0.00 -0.44 0.00 0.00 34.13 33.93 2a1i s GLU 122 CO -0.05 -0.22 1.24 -0.06 0.95 0.00 0.00 175.26 177.12 2a1i s PHE 123 N -1.71 2.70 0.24 4.83 0.08 -1.26 -0.56 117.98 122.30 2a1i s PHE 123 Ca -0.11 1.47 -0.19 0.00 0.12 0.00 0.00 56.93 58.23 2a1i s PHE 123 Cb -0.04 -3.54 0.02 0.00 -0.57 0.00 0.00 43.02 38.90 2a1i s PHE 123 CO 0.02 -1.98 0.60 0.20 -0.10 0.00 0.00 175.22 173.97 2a1i s GLY 124 N -1.17 -0.02 -1.15 4.36 0.00 0.12 -4.73 107.32 104.72 2a1i s GLY 124 Ca 0.65 -0.32 -0.17 0.00 0.00 0.00 0.00 44.72 44.88 2a1i s GLY 124 CO 0.40 -0.22 1.47 -0.35 0.00 0.00 0.00 173.10 174.40 2a1i s ASP 125 N -2.91 6.83 0.15 1.64 2.15 -1.26 -4.15 116.67 119.12 2a1i s ASP 125 Ca 0.12 -2.40 0.07 0.00 0.43 0.00 0.00 52.55 50.77 2a1i s ASP 125 Cb -0.03 -2.48 -0.04 0.00 -0.30 0.00 0.00 42.92 40.07 2a1i s ASP 125 CO 0.02 -1.06 -0.16 0.68 -0.17 0.00 0.00 175.17 174.49 2a1i s VAL 126 N 3.13 1.63 -0.13 1.11 -7.23 -1.26 -5.09 120.40 112.56 2a1i s VAL 126 Ca 0.45 -1.87 -0.27 0.00 -1.81 0.00 0.00 61.98 58.47 2a1i s VAL 126 Cb -0.01 -1.75 -0.24 0.00 0.56 0.00 0.00 36.38 34.94 2a1i s VAL 126 CO -0.01 -0.38 0.77 0.40 -0.31 0.00 0.00 175.10 175.57 2a1i h ILE 127 N 3.28 1.65 -3.71 -0.62 2.04 -2.00 -3.45 117.51 114.71 2a1i h ILE 127 Ca -0.41 -2.16 -0.44 0.00 1.00 0.00 0.00 64.86 62.85 2a1i h ILE 127 Cb 1.20 3.08 0.17 0.00 -0.74 0.00 0.00 36.82 40.54 2a1i h ILE 127 CO 0.52 0.55 0.16 -2.16 0.00 0.00 0.00 178.15 177.21 2a1i s PRO 128 N -2.36 -0.26 0.16 2.37 0.04 -1.26 -4.98 135.00 128.72 2a1i s PRO 128 Ca -0.18 0.32 -0.01 0.00 0.04 0.00 0.00 61.00 61.18 2a1i s PRO 128 Cb -0.02 -1.67 0.01 0.00 0.04 0.00 0.00 34.50 32.85 2a1i s PRO 128 CO 0.65 -3.15 1.39 -0.44 0.04 0.00 0.00 177.00 175.48 2a1i h ASP 129 N -2.19 0.42 -3.49 6.66 3.32 -1.69 -3.39 116.42 116.06 2a1i h ASP 129 Ca -0.52 -0.31 -0.34 0.00 0.02 0.00 0.00 57.03 55.88 2a1i h ASP 129 Cb 1.32 -0.13 -0.34 0.00 0.22 0.00 0.00 39.33 40.40 2a1i h ASP 129 CO 0.50 1.08 -0.74 -0.31 -1.72 0.00 0.00 179.24 178.04 2a1i s TYR 130 N -3.42 0.28 -0.23 4.55 2.02 -0.67 -1.43 117.35 118.45 2a1i s TYR 130 Ca -0.05 0.02 -0.10 0.00 -0.37 0.00 0.00 57.07 56.57 2a1i s TYR 130 Cb 0.10 -0.40 -0.05 0.00 -0.40 0.00 0.00 41.96 41.21 2a1i s TYR 130 CO 0.84 -0.13 0.14 0.08 -1.57 0.00 0.00 175.55 174.91 2a1i s VAL 131 N 1.08 5.22 -0.13 0.71 1.01 0.16 -0.94 120.40 127.50 2a1i s VAL 131 Ca -0.09 0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.08 2a1i s VAL 131 Cb -0.13 -3.42 0.11 0.00 0.00 0.00 0.00 36.38 32.93 2a1i s VAL 131 CO -0.02 0.36 1.07 0.18 0.00 0.00 0.00 175.10 176.69 2a1i n LEU 132 N 4.22 2.23 0.00 3.92 4.32 -0.31 -2.28 117.00 129.11 2a1i n LEU 132 Ca -0.15 -2.26 0.00 0.00 -0.02 0.00 0.00 56.01 53.58 2a1i n LEU 132 Cb 0.52 -0.13 0.00 0.00 -1.62 0.00 0.00 43.42 42.19 2a1i n LEU 132 CO 0.35 0.57 0.00 0.61 -1.22 0.00 0.00 177.39 177.70 2a1i n GLY 133 N -0.59 -0.13 0.30 -0.72 0.00 -1.20 -4.42 105.19 98.42 2a1i n GLY 133 Ca 0.05 -1.49 0.07 0.00 0.00 0.00 0.00 46.02 44.65 2a1i n GLY 133 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2a1i h GLN 134 N 0.00 0.55 -0.37 1.61 4.15 -1.97 -3.17 115.11 115.91 2a1i h GLN 134 Ca 0.00 -0.03 -0.27 0.00 0.77 0.00 0.00 58.65 59.12 2a1i h GLN 134 Cb 0.00 -0.12 -0.38 0.00 0.21 0.00 0.00 27.48 27.19 2a1i h GLN 134 CO 0.00 0.36 -1.01 0.45 -1.93 0.00 0.00 178.83 176.71 2a1i n SER 135 N -4.91 2.07 -4.06 -0.69 2.88 -1.26 -4.93 113.62 102.72 2a1i n SER 135 Ca 0.17 -2.46 -0.21 0.00 -1.33 0.00 0.00 58.87 55.04 2a1i n SER 135 Cb 0.44 -0.42 -0.15 0.00 -0.75 0.00 0.00 64.21 63.33 2a1i n SER 135 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2a1i s THR 136 N -3.11 0.93 0.20 2.46 2.01 -1.20 -0.26 115.64 116.67 2a1i s THR 136 Ca 0.34 -0.49 -0.18 0.00 0.31 0.00 0.00 61.69 61.67 2a1i s THR 136 Cb 0.35 -0.79 0.03 0.00 0.01 0.00 0.00 72.50 72.11 2a1i s THR 136 CO -0.05 0.27 0.55 0.00 -0.69 0.00 0.00 174.62 174.70 2a1i s ALA 138 N -3.87 0.92 0.05 0.00 0.00 -0.12 -1.58 121.76 117.17 2a1i s ALA 138 Ca 0.09 -0.87 0.05 0.00 0.00 0.00 0.00 51.96 51.23 2a1i s ALA 138 Cb -0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 2a1i s ALA 138 CO -0.02 0.10 -0.05 -0.51 0.00 0.00 0.00 175.76 175.28 2a1i s LEU 139 N -1.57 3.25 -0.08 0.00 2.01 0.16 -1.67 118.68 120.78 2a1i s LEU 139 Ca -0.04 -0.21 -0.00 0.00 0.01 0.00 0.00 54.13 53.89 2a1i s LEU 139 Cb -0.10 -1.95 -0.03 0.00 0.01 0.00 0.00 46.19 44.13 2a1i s LEU 139 CO 0.01 0.22 -0.05 0.12 1.01 0.00 0.00 176.35 177.67 2a1i s PHE 140 N -1.15 3.00 -0.09 0.29 5.36 -1.26 -0.56 117.98 123.57 2a1i s PHE 140 Ca 0.21 0.05 -0.04 0.00 -0.96 0.00 0.00 56.93 56.19 2a1i s PHE 140 Cb -0.11 -1.74 0.05 0.00 -0.34 0.00 0.00 43.02 40.87 2a1i s PHE 140 CO 0.12 0.35 0.18 -1.17 -1.46 0.00 0.00 175.22 173.25 2a1i s LEU 141 N -0.77 -0.07 0.11 6.12 2.96 0.21 -4.94 118.68 122.30 2a1i s LEU 141 Ca 0.12 0.40 -0.28 0.00 -0.22 0.00 0.00 54.13 54.15 2a1i s LEU 141 Cb -0.11 0.39 -0.06 0.00 0.50 0.00 0.00 46.19 46.91 2a1i s LEU 141 CO 0.02 -0.24 0.87 -0.55 -1.32 0.00 0.00 176.35 175.13 2a1i s SER 142 N 2.23 7.41 0.40 3.68 0.15 -1.26 -0.76 113.70 125.54 2a1i s SER 142 Ca 0.02 1.68 0.10 0.00 0.70 0.00 0.00 55.95 58.44 2a1i s SER 142 Cb -0.12 -2.54 0.82 0.00 -1.71 0.00 0.00 66.02 62.47 2a1i s SER 142 CO -0.06 0.03 1.94 -0.07 1.20 0.00 0.00 173.24 176.28 2a1i h LEU 143 N 5.25 0.23 -0.41 3.45 3.38 -1.70 0.44 115.31 125.96 2a1i h LEU 143 Ca -0.44 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 2a1i h LEU 143 Cb 1.21 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 2a1i h LEU 143 CO 0.70 0.35 0.22 -0.09 0.09 0.00 0.00 178.44 179.72 2a1i h ARG 144 N 0.24 0.58 -0.57 1.13 2.43 -1.83 -1.77 114.38 114.58 2a1i h ARG 144 Ca 0.05 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 2a1i h ARG 144 Cb 0.32 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 2a1i h ARG 144 CO 0.02 0.47 0.13 -0.92 -1.51 0.00 0.00 179.97 178.16 2a1i h TYR 145 N 0.53 0.97 -0.91 2.20 3.20 -1.77 -2.71 116.97 118.48 2a1i h TYR 145 Ca 0.14 -0.12 0.04 0.00 3.14 0.00 0.00 58.73 61.94 2a1i h TYR 145 Cb 0.06 -0.27 -0.05 0.00 1.54 0.00 0.00 36.73 38.01 2a1i h TYR 145 CO -0.02 0.83 0.60 1.25 -1.64 0.00 0.00 178.16 179.18 2a1i h HIS 146 N 0.83 1.10 -0.62 -3.82 2.76 -0.75 0.29 115.15 114.93 2a1i h HIS 146 Ca 0.18 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.30 2a1i h HIS 146 Cb 0.36 -0.36 -0.03 0.00 1.55 0.00 0.00 27.41 28.92 2a1i h HIS 146 CO 0.03 0.62 0.09 -0.97 -1.30 0.00 0.00 177.93 176.40 2a1i h ASN 147 N 1.12 0.97 0.56 3.26 -0.73 -1.14 -2.33 115.58 117.30 2a1i h ASN 147 Ca 0.37 -0.22 -0.18 0.00 1.87 0.00 0.00 56.30 58.14 2a1i h ASN 147 Cb 0.06 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.37 2a1i h ASN 147 CO -0.12 0.97 -0.79 -0.07 -0.37 0.00 0.00 177.43 177.06 2a1i h LEU 148 N 0.96 0.21 -6.16 0.34 4.07 -1.10 -3.37 115.31 110.25 2a1i h LEU 148 Ca 0.19 -0.16 -0.58 0.00 0.08 0.00 0.00 57.88 57.41 2a1i h LEU 148 Cb 0.42 -0.06 -0.40 0.00 1.08 0.00 0.00 40.66 41.70 2a1i h LEU 148 CO 0.01 0.91 -0.87 1.41 -1.08 0.00 0.00 178.44 178.83 2a1i n HIS 149 N -3.71 1.37 0.32 1.13 8.25 0.04 -4.98 115.22 117.64 2a1i n HIS 149 Ca -0.03 -3.82 0.21 0.00 -0.26 0.00 0.00 57.72 53.82 2a1i n HIS 149 Cb 0.75 -0.40 1.09 0.00 1.12 0.00 0.00 29.99 32.55 2a1i n HIS 149 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2a1i h PRO 150 N 4.26 0.00 -0.01 -0.41 0.13 -1.60 -1.92 132.00 132.47 2a1i h PRO 150 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2a1i h PRO 150 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 2a1i h PRO 150 CO 0.62 0.01 -0.31 -0.25 -0.23 0.00 0.00 178.00 177.84 2a1i n ASP 151 N -3.22 1.06 0.17 1.44 8.00 -1.26 -4.56 116.55 118.19 2a1i n ASP 151 Ca -0.02 -0.89 -0.14 0.00 0.71 0.00 0.00 54.79 54.44 2a1i n ASP 151 Cb 0.11 0.19 -0.08 0.00 -0.02 0.00 0.00 41.12 41.32 2a1i n ASP 151 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2a1i h TYR 152 N 1.19 -0.35 -0.10 1.24 3.20 -1.70 -3.21 116.97 117.25 2a1i h TYR 152 Ca 0.00 -0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.72 2a1i h TYR 152 Cb 0.53 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 2a1i h TYR 152 CO 0.00 -0.18 -0.57 0.97 -1.64 0.00 0.00 178.16 176.74 2a1i h ILE 153 N -0.42 1.36 -0.18 1.81 6.09 -1.80 -2.19 117.51 122.18 2a1i h ILE 153 Ca -0.04 -1.89 0.01 0.00 -1.37 0.00 0.00 64.86 61.58 2a1i h ILE 153 Cb 0.32 1.92 -0.02 0.00 0.47 0.00 0.00 36.82 39.51 2a1i h ILE 153 CO 0.06 0.57 0.07 -0.74 -3.07 0.00 0.00 178.15 175.04 2a1i h HIS 154 N 0.23 0.13 -0.72 2.19 2.76 -1.86 0.88 115.15 118.76 2a1i h HIS 154 Ca -0.00 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 2a1i h HIS 154 Cb 1.07 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.97 2a1i h HIS 154 CO 0.03 0.07 0.36 0.78 -1.30 0.00 0.00 177.93 177.86 2a1i h GLY 155 N 0.16 1.11 0.99 5.26 0.00 -1.54 -0.34 103.07 108.71 2a1i h GLY 155 Ca 0.07 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2a1i h GLY 155 CO -0.07 0.51 0.00 -0.09 0.00 0.00 0.00 176.54 176.90 2a1i h ARG 156 N 1.01 0.00 -0.88 4.80 9.65 -1.06 0.70 114.38 128.60 2a1i h ARG 156 Ca 0.25 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.12 2a1i h ARG 156 Cb 0.10 -0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.64 2a1i h ARG 156 CO -0.03 0.01 0.50 -0.07 2.80 0.00 0.00 179.97 183.18 2a1i h LEU 157 N -0.01 1.08 -0.67 3.80 3.38 -0.66 -1.73 115.31 120.50 2a1i h LEU 157 Ca 0.00 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 2a1i h LEU 157 Cb 0.01 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 2a1i h LEU 157 CO -0.00 0.85 -0.36 1.56 0.09 0.00 0.00 178.44 180.57 2a1i h GLN 158 N 1.22 0.62 0.00 1.13 1.08 -0.81 -2.68 115.11 115.67 2a1i h GLN 158 Ca 0.31 -0.30 -0.06 0.00 -1.45 0.00 0.00 58.65 57.15 2a1i h GLN 158 Cb -0.00 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 2a1i h GLN 158 CO -0.05 0.89 -0.28 0.66 -0.95 0.00 0.00 178.83 179.09 2a1i h SER 159 N 0.52 0.00 0.04 1.46 4.64 -0.57 -3.12 113.55 116.52 2a1i h SER 159 Ca 0.05 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2a1i h SER 159 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 2a1i h SER 159 CO 0.07 0.28 -0.02 0.25 -0.87 0.00 0.00 176.83 176.55 2a1i h LEU 160 N 0.00 -0.05 0.00 5.97 5.85 -1.00 -3.49 115.31 122.60 2a1i h LEU 160 Ca -0.00 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.45 2a1i h LEU 160 Cb 0.85 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.89 2a1i h LEU 160 CO 0.04 0.24 0.00 0.61 -0.34 0.00 0.00 178.44 178.99 2a1i n GLY 161 N -0.36 1.42 0.52 3.75 0.00 -1.05 -4.17 105.19 105.31 2a1i n GLY 161 Ca -0.08 -0.63 0.08 0.00 0.00 0.00 0.00 46.02 45.40 2a1i n GLY 161 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2a1i n LYS 162 N 5.81 2.02 -0.10 1.61 3.00 -1.26 -4.74 118.16 124.50 2a1i n LYS 162 Ca 0.00 -2.77 -0.10 0.00 -0.00 0.00 0.00 58.31 55.43 2a1i n LYS 162 Cb 0.00 -1.68 -0.03 0.00 0.00 0.00 0.00 35.03 33.33 2a1i n LYS 162 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 2a1i h ASN 163 N 0.88 0.46 -3.42 3.14 2.35 -1.99 -3.41 115.58 113.59 2a1i h ASN 163 Ca 0.02 -0.23 -0.54 0.00 -0.55 0.00 0.00 56.30 54.99 2a1i h ASN 163 Cb 1.24 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 39.45 2a1i h ASN 163 CO 0.12 0.58 0.21 -0.36 -1.65 0.00 0.00 177.43 176.33 2a1i s PHE 164 N -5.29 3.68 0.12 1.19 0.40 -1.26 -4.93 117.98 111.88 2a1i s PHE 164 Ca -0.13 1.50 -0.18 0.00 -0.60 0.00 0.00 56.93 57.52 2a1i s PHE 164 Cb 0.09 -2.92 -0.04 0.00 0.51 0.00 0.00 43.02 40.66 2a1i s PHE 164 CO 0.74 0.14 1.67 0.00 0.70 0.00 0.00 175.22 178.48 2a1i h ALA 165 N 6.24 0.41 -3.14 5.36 0.00 -0.87 -3.41 119.26 123.85 2a1i h ALA 165 Ca -0.42 -0.12 -0.68 0.00 0.00 0.00 0.00 54.91 53.69 2a1i h ALA 165 Cb 1.21 -0.12 -0.28 0.00 0.00 0.00 0.00 17.79 18.59 2a1i h ALA 165 CO 0.73 0.00 -0.65 -1.17 0.00 0.00 0.00 179.25 178.16 2a1i s LEU 166 N -9.83 3.78 -0.09 0.00 0.20 -0.20 -5.03 118.68 107.51 2a1i s LEU 166 Ca -0.13 -0.86 0.02 0.00 0.69 0.00 0.00 54.13 53.85 2a1i s LEU 166 Cb 0.09 -1.82 -0.02 0.00 -0.43 0.00 0.00 46.19 44.02 2a1i s LEU 166 CO 0.73 -0.20 -0.15 -0.13 -0.29 0.00 0.00 176.35 176.30 2a1i s ARG 167 N 1.42 2.89 -0.09 1.98 0.52 -1.26 -1.53 118.95 122.89 2a1i s ARG 167 Ca 0.01 -0.72 0.01 0.00 -0.52 0.00 0.00 55.73 54.50 2a1i s ARG 167 Cb -0.18 -2.45 0.02 0.00 0.52 0.00 0.00 34.95 32.86 2a1i s ARG 167 CO 0.01 0.41 -0.09 0.08 0.02 0.00 0.00 175.30 175.73 2a1i s VAL 168 N -0.18 1.00 -0.31 3.52 1.01 -0.61 -0.63 120.40 124.20 2a1i s VAL 168 Ca -0.01 -0.33 -0.11 0.00 0.00 0.00 0.00 61.98 61.54 2a1i s VAL 168 Cb -0.13 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 2a1i s VAL 168 CO 0.03 0.35 0.19 -0.22 0.00 0.00 0.00 175.10 175.45 2a1i s LEU 169 N 1.27 4.21 -0.41 3.92 0.20 0.87 -0.66 118.68 128.08 2a1i s LEU 169 Ca -0.03 -0.32 -0.12 0.00 0.69 0.00 0.00 54.13 54.34 2a1i s LEU 169 Cb -0.14 -2.08 0.05 0.00 -0.43 0.00 0.00 46.19 43.58 2a1i s LEU 169 CO -0.03 -0.16 0.27 -0.22 -0.29 0.00 0.00 176.35 175.92 2a1i s LEU 170 N 1.70 5.07 -0.23 -0.68 2.96 0.28 -1.15 118.68 126.62 2a1i s LEU 170 Ca 0.06 -1.16 -0.13 0.00 -0.22 0.00 0.00 54.13 52.67 2a1i s LEU 170 Cb -0.17 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.41 2a1i s LEU 170 CO 0.09 -0.48 0.28 -0.69 -1.32 0.00 0.00 176.35 174.23 2a1i s VAL 171 N 1.56 5.27 -0.35 1.68 1.01 -0.14 -0.62 120.40 128.81 2a1i s VAL 171 Ca 0.03 0.43 -0.21 0.00 0.00 0.00 0.00 61.98 62.23 2a1i s VAL 171 Cb -0.21 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.56 2a1i s VAL 171 CO 0.06 0.28 0.66 -1.58 0.00 0.00 0.00 175.10 174.52 2a1i s GLN 172 N 1.34 3.70 -0.82 2.72 0.74 0.06 -0.46 119.66 126.95 2a1i s GLN 172 Ca 0.13 0.10 -0.24 0.00 0.05 0.00 0.00 55.36 55.40 2a1i s GLN 172 Cb -0.14 -3.81 0.06 0.00 1.10 0.00 0.00 33.01 30.22 2a1i s GLN 172 CO 0.07 -0.75 1.23 0.08 -0.55 0.00 0.00 175.29 175.38 2a1i s VAL 173 N 2.76 4.03 -0.10 1.34 1.01 0.04 -1.71 120.40 127.78 2a1i s VAL 173 Ca 0.25 -0.31 0.20 0.00 0.00 0.00 0.00 61.98 62.13 2a1i s VAL 173 Cb -0.14 -4.89 0.43 0.00 0.00 0.00 0.00 36.38 31.79 2a1i s VAL 173 CO 0.15 -1.75 1.18 -0.90 0.00 0.00 0.00 175.10 173.79 2a1i n ASP 174 N 8.53 1.44 -3.83 3.32 5.68 -1.26 -4.78 116.55 125.64 2a1i n ASP 174 Ca 0.12 -2.71 -0.14 0.00 -0.50 0.00 0.00 54.79 51.56 2a1i n ASP 174 Cb 0.49 -0.39 -0.15 0.00 -1.14 0.00 0.00 41.12 39.93 2a1i n ASP 174 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2a1i s VAL 175 N -1.54 0.02 0.41 2.12 0.11 -1.26 -4.65 120.40 115.60 2a1i s VAL 175 Ca 0.36 0.07 -0.25 0.00 -2.93 0.00 0.00 61.98 59.23 2a1i s VAL 175 Cb 0.38 -0.08 -0.08 0.00 -1.53 0.00 0.00 36.38 35.07 2a1i s VAL 175 CO -0.12 0.05 1.24 -0.75 -3.33 0.00 0.00 175.10 172.20 2a1i s LYS 176 N 0.47 3.96 -0.90 1.54 2.20 -1.26 -3.81 119.74 121.94 2a1i s LYS 176 Ca -0.04 2.01 -0.02 0.00 -0.36 0.00 0.00 55.97 57.57 2a1i s LYS 176 Cb -0.06 -2.69 -0.02 0.00 -1.51 0.00 0.00 37.83 33.55 2a1i s LYS 176 CO -0.01 -0.45 0.76 -0.25 -0.36 0.00 0.00 175.35 175.04 2a1i n ASP 177 N 0.04 -3.31 0.00 1.43 9.92 -1.26 -4.93 116.55 118.44 2a1i n ASP 177 Ca 0.04 -0.51 0.15 0.00 -0.53 0.00 0.00 54.79 53.95 2a1i n ASP 177 Cb 0.45 -4.14 0.84 0.00 -0.64 0.00 0.00 41.12 37.62 2a1i n ASP 177 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 2a1i n PRO 178 N -3.24 0.68 -0.21 -0.24 -0.04 -1.25 -4.37 135.00 126.34 2a1i n PRO 178 Ca -0.17 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.25 2a1i n PRO 178 Cb 0.62 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.70 2a1i n PRO 178 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 2a1i h GLN 179 N 0.00 1.02 -0.11 0.54 -0.00 -1.93 0.80 115.11 115.42 2a1i h GLN 179 Ca 0.00 -0.21 -0.09 0.00 -0.00 0.00 0.00 58.65 58.35 2a1i h GLN 179 Cb 0.15 -0.15 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 2a1i h GLN 179 CO 0.00 0.88 -0.29 1.96 -0.00 0.00 0.00 178.83 181.38 2a1i h GLN 180 N 0.98 0.38 -0.32 0.06 1.08 -2.01 -1.53 115.11 113.76 2a1i h GLN 180 Ca 0.22 -0.27 0.05 0.00 -1.45 0.00 0.00 58.65 57.20 2a1i h GLN 180 Cb 0.29 0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.71 2a1i h GLN 180 CO -0.01 0.88 0.01 0.00 -0.95 0.00 0.00 178.83 178.77 2a1i h ALA 181 N 0.50 0.30 -0.96 3.87 0.00 -1.77 -2.61 119.26 118.58 2a1i h ALA 181 Ca -0.01 0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.03 2a1i h ALA 181 Cb 0.90 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 2a1i h ALA 181 CO 0.06 -0.40 0.63 -0.07 0.00 0.00 0.00 179.25 179.48 2a1i h LEU 182 N 0.10 1.05 -0.68 0.00 3.38 -0.72 -1.37 115.31 117.07 2a1i h LEU 182 Ca 0.15 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 2a1i h LEU 182 Cb 0.20 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2a1i h LEU 182 CO -0.25 0.72 0.05 0.50 0.09 0.00 0.00 178.44 179.55 2a1i h LYS 183 N 1.22 1.07 -0.34 1.13 3.64 -1.08 0.47 116.57 122.68 2a1i h LYS 183 Ca 0.38 -0.31 -0.14 0.00 -1.27 0.00 0.00 60.65 59.32 2a1i h LYS 183 Cb 0.01 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 2a1i h LYS 183 CO -0.12 1.01 -0.34 1.05 -2.27 0.00 0.00 179.45 178.78 2a1i h GLU 184 N 0.98 0.75 -0.20 1.90 4.11 -1.08 -2.16 114.58 118.89 2a1i h GLU 184 Ca 0.18 -0.36 -0.12 0.00 0.07 0.00 0.00 59.36 59.13 2a1i h GLU 184 Cb 0.50 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2a1i h GLU 184 CO 0.02 0.98 -0.39 -0.07 0.07 0.00 0.00 179.01 179.62 2a1i h LEU 185 N 0.63 0.46 -0.12 3.06 3.38 -1.10 -1.96 115.31 119.67 2a1i h LEU 185 Ca 0.06 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 2a1i h LEU 185 Cb 0.87 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2a1i h LEU 185 CO 0.08 0.81 0.06 0.00 0.09 0.00 0.00 178.44 179.48 2a1i h ALA 186 N 1.22 0.15 -0.38 1.53 0.00 -0.70 -0.54 119.26 120.54 2a1i h ALA 186 Ca 0.04 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.95 2a1i h ALA 186 Cb 0.85 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 2a1i h ALA 186 CO 0.07 -0.29 -0.02 0.87 0.00 0.00 0.00 179.25 179.88 2a1i h LYS 187 N 0.08 0.08 -0.29 0.00 1.57 -1.28 -0.52 116.57 116.21 2a1i h LYS 187 Ca 0.04 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 2a1i h LYS 187 Cb 0.10 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 2a1i h LYS 187 CO -0.01 0.05 0.12 1.98 -0.57 0.00 0.00 179.45 181.02 2a1i h MET 188 N 0.08 0.25 -0.62 3.15 4.05 -1.08 -1.89 114.93 118.87 2a1i h MET 188 Ca 0.19 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.55 2a1i h MET 188 Cb 0.27 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.98 2a1i h MET 188 CO -0.33 0.16 0.22 0.00 0.23 0.00 0.00 176.91 177.20 2a1i h ILE 190 N 0.89 1.18 -0.13 0.00 2.04 -0.81 0.29 117.51 120.97 2a1i h ILE 190 Ca 0.21 -0.56 -0.12 0.00 1.00 0.00 0.00 64.86 65.39 2a1i h ILE 190 Cb 0.21 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 2a1i h ILE 190 CO -0.01 0.18 -0.43 -0.07 0.00 0.00 0.00 178.15 177.81 2a1i h LEU 191 N 0.21 0.31 -0.85 1.44 3.38 -1.18 -2.37 115.31 116.24 2a1i h LEU 191 Ca 0.07 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2a1i h LEU 191 Cb 0.21 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2a1i h LEU 191 CO -0.00 0.71 -0.06 0.00 0.09 0.00 0.00 178.44 179.17 2a1i n ALA 192 N -2.48 2.69 -3.31 1.53 0.00 -0.29 -4.96 120.51 113.69 2a1i n ALA 192 Ca -0.02 -0.43 -0.16 0.00 0.00 0.00 0.00 53.44 52.83 2a1i n ALA 192 Cb 0.50 -1.16 0.07 0.00 0.00 0.00 0.00 19.45 18.87 2a1i n ALA 192 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2a1i n ASP 193 N -0.02 -5.38 -4.16 0.00 2.03 0.74 -5.03 116.55 104.73 2a1i n ASP 193 Ca 0.17 -0.69 -0.17 0.00 0.52 0.00 0.00 54.79 54.62 2a1i n ASP 193 Cb 0.35 -5.16 -0.12 0.00 -0.72 0.00 0.00 41.12 35.48 2a1i n ASP 193 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2a1i s THR 195 N -1.42 4.03 -0.20 0.00 2.01 0.20 -4.51 115.64 115.75 2a1i s THR 195 Ca -0.02 1.82 -0.05 0.00 0.31 0.00 0.00 61.69 63.75 2a1i s THR 195 Cb -0.09 -4.16 -0.02 0.00 0.01 0.00 0.00 72.50 68.24 2a1i s THR 195 CO 0.02 0.34 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.06 2a1i s LEU 196 N -0.55 3.17 -0.07 4.42 0.20 -1.26 -0.09 118.68 124.49 2a1i s LEU 196 Ca 0.46 -0.24 0.05 0.00 0.69 0.00 0.00 54.13 55.10 2a1i s LEU 196 Cb -0.27 -1.80 -0.01 0.00 -0.43 0.00 0.00 46.19 43.67 2a1i s LEU 196 CO 0.34 0.05 -0.24 -0.63 -0.29 0.00 0.00 176.35 175.58 2a1i s ILE 197 N 1.08 2.14 -0.25 6.68 -1.09 -0.30 -4.97 121.20 124.48 2a1i s ILE 197 Ca 0.02 -1.03 -0.09 0.00 -2.23 0.00 0.00 60.65 57.32 2a1i s ILE 197 Cb -0.14 -1.79 -0.04 0.00 -1.58 0.00 0.00 42.46 38.90 2a1i s ILE 197 CO 0.01 0.57 0.13 -0.76 -1.23 0.00 0.00 174.94 173.66 2a1i s LEU 198 N -0.08 3.87 -0.08 2.97 1.02 -1.26 -0.97 118.68 124.16 2a1i s LEU 198 Ca -0.06 -0.01 0.02 0.00 0.02 0.00 0.00 54.13 54.09 2a1i s LEU 198 Cb -0.14 -2.04 -0.03 0.00 0.02 0.00 0.00 46.19 44.00 2a1i s LEU 198 CO 0.05 0.02 -0.11 0.00 0.02 0.00 0.00 176.35 176.32 2a1i s ALA 199 N 1.34 2.78 -2.09 4.21 0.00 0.39 -4.97 121.76 123.43 2a1i s ALA 199 Ca 0.06 -0.92 0.20 0.00 0.00 0.00 0.00 51.96 51.30 2a1i s ALA 199 Cb -0.15 -1.13 0.41 0.00 0.00 0.00 0.00 23.12 22.25 2a1i s ALA 199 CO 0.06 0.48 1.35 0.91 0.00 0.00 0.00 175.76 178.57 2a1i n TRP 200 N 2.58 0.52 -3.46 0.00 7.02 -1.26 -0.78 117.44 122.06 2a1i n TRP 200 Ca -0.18 -0.30 -0.10 0.00 -1.02 0.00 0.00 57.50 55.90 2a1i n TRP 200 Cb 0.53 -0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.39 2a1i n TRP 200 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2a1i s SER 201 N -1.29 -0.48 0.27 -0.99 1.04 -1.26 -4.85 113.70 106.14 2a1i s SER 201 Ca 0.36 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.77 2a1i s SER 201 Cb 0.21 0.52 0.53 0.00 0.10 0.00 0.00 66.02 67.37 2a1i s SER 201 CO 0.28 -0.84 1.82 -0.65 0.98 0.00 0.00 173.24 174.83 2a1i h PRO 202 N 2.00 0.87 -0.55 4.02 0.11 -1.93 -2.51 132.00 134.00 2a1i h PRO 202 Ca -0.29 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.72 2a1i h PRO 202 Cb 1.28 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 2a1i h PRO 202 CO 0.35 0.57 0.17 1.49 -0.21 0.00 0.00 178.00 180.37 2a1i h GLU 203 N 0.89 0.86 -0.81 1.05 4.81 -1.90 -1.02 114.58 118.47 2a1i h GLU 203 Ca 0.48 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 2a1i h GLU 203 Cb 0.51 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.73 2a1i h GLU 203 CO -0.28 0.79 0.51 1.49 -0.73 0.00 0.00 179.01 180.78 2a1i h GLU 204 N 0.77 1.08 -0.81 1.92 4.81 -1.91 -1.05 114.58 119.40 2a1i h GLU 204 Ca 0.18 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 2a1i h GLU 204 Cb 0.29 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 2a1i h GLU 204 CO -0.00 0.74 0.41 0.00 -0.73 0.00 0.00 179.01 179.43 2a1i h ALA 205 N 1.28 1.04 -0.62 2.92 0.00 -0.99 -1.32 119.26 121.57 2a1i h ALA 205 Ca 0.29 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 2a1i h ALA 205 Cb -0.08 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.36 2a1i h ALA 205 CO -0.06 0.58 0.07 0.78 0.00 0.00 0.00 179.25 180.62 2a1i h GLY 206 N 1.13 1.13 1.02 0.00 0.00 -0.91 -1.55 103.07 103.89 2a1i h GLY 206 Ca 0.28 -0.78 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 2a1i h GLY 206 CO -0.04 0.72 0.31 3.21 0.00 0.00 0.00 176.54 180.73 2a1i h ARG 207 N 0.95 1.04 -0.54 4.80 2.47 -0.87 -1.98 114.38 120.25 2a1i h ARG 207 Ca 0.18 -0.17 0.05 0.00 -1.26 0.00 0.00 59.98 58.77 2a1i h ARG 207 Cb 0.47 -0.18 -0.05 0.00 -1.65 0.00 0.00 29.97 28.57 2a1i h ARG 207 CO 0.02 0.84 0.29 1.88 0.56 0.00 0.00 179.97 183.56 2a1i h TYR 208 N 1.00 0.53 -0.44 3.04 0.05 -0.88 -0.58 116.97 119.69 2a1i h TYR 208 Ca 0.24 0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.04 2a1i h TYR 208 Cb 0.17 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.73 2a1i h TYR 208 CO 0.01 0.26 0.28 -0.07 -1.05 0.00 0.00 178.16 177.59 2a1i h LEU 209 N 0.55 0.51 -0.81 3.88 4.07 -0.96 -1.54 115.31 121.01 2a1i h LEU 209 Ca 0.24 -0.03 -0.03 0.00 0.08 0.00 0.00 57.88 58.13 2a1i h LEU 209 Cb 0.13 -0.13 -0.04 0.00 1.08 0.00 0.00 40.66 41.71 2a1i h LEU 209 CO -0.16 0.39 0.38 -0.33 -1.08 0.00 0.00 178.44 177.64 2a1i h GLU 210 N 0.59 1.18 0.32 1.13 5.08 -1.21 -1.41 114.58 120.26 2a1i h GLU 210 Ca 0.16 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2a1i h GLU 210 Cb -0.04 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.01 2a1i h GLU 210 CO -0.03 0.92 -0.17 1.15 -1.00 0.00 0.00 179.01 179.89 2a1i h THR 211 N 1.16 0.66 -0.99 1.13 2.02 -0.80 -2.13 112.91 113.95 2a1i h THR 211 Ca 0.28 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.47 2a1i h THR 211 Cb 0.14 0.66 -0.05 0.00 -1.74 0.00 0.00 68.15 67.16 2a1i h THR 211 CO -0.03 0.00 0.66 1.88 0.37 0.00 0.00 175.52 178.40 2a1i h TYR 212 N -0.45 1.24 0.00 3.16 0.05 -1.20 -2.21 116.97 117.57 2a1i h TYR 212 Ca -0.04 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 2a1i h TYR 212 Cb 0.35 -0.42 -0.00 0.00 1.01 0.00 0.00 36.73 37.67 2a1i h TYR 212 CO -0.07 0.77 -0.02 -0.22 -1.05 0.00 0.00 178.16 177.58 2a1i h LYS 213 N 1.33 0.00 0.00 4.88 1.63 -1.10 -2.59 116.57 120.72 2a1i h LYS 213 Ca 0.37 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 60.15 2a1i h LYS 213 Cb -0.13 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.49 2a1i h LYS 213 CO -0.09 0.02 -0.11 0.00 -3.45 0.00 0.00 179.45 175.82 2a1i h ALA 214 N 1.98 1.22 -3.93 5.00 0.00 -0.72 -3.44 119.26 119.37 2a1i h ALA 214 Ca -0.00 -0.10 -0.68 0.00 0.00 0.00 0.00 54.91 54.12 2a1i h ALA 214 Cb 0.07 -0.02 -0.27 0.00 0.00 0.00 0.00 17.79 17.57 2a1i h ALA 214 CO 0.00 0.14 -0.81 0.71 0.00 0.00 0.00 179.25 179.29 2a1i s TYR 215 N -4.10 2.61 -0.26 0.00 2.02 -0.98 -5.09 117.35 111.55 2a1i s TYR 215 Ca -0.02 -0.45 -0.22 0.00 -0.37 0.00 0.00 57.07 56.01 2a1i s TYR 215 Cb 0.12 -1.65 -0.01 0.00 -0.40 0.00 0.00 41.96 40.02 2a1i s TYR 215 CO 0.57 -0.04 0.70 -1.21 -1.57 0.00 0.00 175.55 174.01 2a1i s GLU 216 N -0.33 4.09 0.36 -0.62 2.02 -1.26 -4.94 118.70 118.02 2a1i s GLU 216 Ca 0.02 0.64 0.05 0.00 0.02 0.00 0.00 54.97 55.70 2a1i s GLU 216 Cb -0.13 -3.66 0.73 0.00 0.10 0.00 0.00 34.13 31.17 2a1i s GLU 216 CO 0.02 -0.48 1.96 1.96 0.02 0.00 0.00 175.26 178.74 2a1i h GLN 217 N 7.89 0.75 -2.89 1.61 1.08 -1.96 -3.15 115.11 118.44 2a1i h GLN 217 Ca -0.25 -0.05 -0.61 0.00 -1.45 0.00 0.00 58.65 56.29 2a1i h GLN 217 Cb 1.11 -0.17 -0.40 0.00 -0.05 0.00 0.00 27.48 27.97 2a1i h GLN 217 CO 0.81 0.50 -0.72 0.15 -0.95 0.00 0.00 178.83 178.62 2a1i s LYS 218 N -5.69 1.74 0.94 1.46 1.02 -1.26 -5.11 119.74 112.84 2a1i s LYS 218 Ca -0.10 -2.66 -0.11 0.00 0.02 0.00 0.00 55.97 53.13 2a1i s LYS 218 Cb 0.19 -2.63 0.16 0.00 -0.52 0.00 0.00 37.83 35.03 2a1i s LYS 218 CO 0.77 -1.27 1.12 -1.25 -0.92 0.00 0.00 175.35 173.80 2a1i s PRO 219 N -0.55 0.82 0.38 -1.68 0.04 -1.19 -4.94 135.00 127.88 2a1i s PRO 219 Ca 0.25 1.34 -0.24 0.00 0.04 0.00 0.00 61.00 62.39 2a1i s PRO 219 Cb -0.08 -1.72 -0.14 0.00 0.04 0.00 0.00 34.50 32.60 2a1i s PRO 219 CO -0.12 -2.70 0.56 0.00 0.04 0.00 0.00 177.00 174.78 2a1i n ALA 220 N -4.26 -1.63 -3.95 8.56 0.00 -1.26 -4.96 120.51 113.00 2a1i n ALA 220 Ca 0.10 0.22 -0.30 0.00 0.00 0.00 0.00 53.44 53.45 2a1i n ALA 220 Cb 0.53 -1.76 -0.14 0.00 0.00 0.00 0.00 19.45 18.08 2a1i n ALA 220 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2a1i s ASP 221 N -0.91 4.36 0.21 0.00 2.15 -1.26 -5.03 116.67 116.18 2a1i s ASP 221 Ca 0.62 -2.83 -0.09 0.00 0.43 0.00 0.00 52.55 50.69 2a1i s ASP 221 Cb -0.66 -1.60 0.15 0.00 -0.30 0.00 0.00 42.92 40.51 2a1i s ASP 221 CO 0.58 -0.26 1.79 -0.07 -0.17 0.00 0.00 175.17 177.05 2a1i h LEU 222 N 6.73 1.01 -0.54 -1.34 3.38 -1.99 -3.16 115.31 119.40 2a1i h LEU 222 Ca -0.07 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 2a1i h LEU 222 Cb 0.92 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 2a1i h LEU 222 CO 0.65 0.87 0.17 -0.07 0.09 0.00 0.00 178.44 180.14 2a1i h LEU 223 N 1.09 0.79 -0.41 1.67 3.38 -1.99 0.10 115.31 119.94 2a1i h LEU 223 Ca 0.26 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2a1i h LEU 223 Cb 0.13 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2a1i h LEU 223 CO -0.03 0.79 0.26 -0.03 0.09 0.00 0.00 178.44 179.52 2a1i h MET 224 N 0.75 0.55 -0.96 1.13 4.05 -2.02 -3.05 114.93 115.39 2a1i h MET 224 Ca 0.17 -0.04 0.07 0.00 -0.28 0.00 0.00 59.70 59.63 2a1i h MET 224 Cb 0.28 -0.12 -0.07 0.00 -0.80 0.00 0.00 31.60 30.90 2a1i h MET 224 CO -0.00 0.38 0.61 1.49 0.23 0.00 0.00 176.91 179.62 2a1i h GLU 225 N 0.55 1.05 0.00 0.39 4.81 -1.28 -2.67 114.58 117.43 2a1i h GLU 225 Ca 0.15 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.23 2a1i h GLU 225 Cb -0.03 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.10 2a1i h GLU 225 CO -0.03 0.69 -0.38 -0.22 -0.73 0.00 0.00 179.01 178.34 2a1i h LYS 226 N 1.08 0.00 -0.00 1.92 1.63 -0.72 -3.51 116.57 116.96 2a1i h LYS 226 Ca 0.43 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.23 2a1i h LYS 226 Cb 0.23 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.86 2a1i h LYS 226 CO -0.19 0.38 0.00 1.28 -3.45 0.00 0.00 179.45 177.47