#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgm n SER 104 N 0.00 0.32 -2.91 0.53 7.64 -1.26 -4.92 113.62 113.03 2hgm n SER 104 Ca 0.00 -2.02 -0.13 0.00 1.01 0.00 0.00 58.87 57.72 2hgm n SER 104 Cb 0.00 -0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 2hgm n SER 104 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2hgm n ALA 105 N -0.02 2.65 -2.44 -0.43 0.00 -1.26 -5.13 120.51 113.88 2hgm n ALA 105 Ca -0.05 -3.20 -0.23 0.00 0.00 0.00 0.00 53.44 49.96 2hgm n ALA 105 Cb 0.94 -0.94 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 2hgm n ALA 105 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2hgm s ASP 106 N -2.74 3.37 0.16 0.00 1.11 -1.26 -4.62 116.67 112.69 2hgm s ASP 106 Ca 0.33 -1.01 -0.14 0.00 0.18 0.00 0.00 52.55 51.91 2hgm s ASP 106 Cb 0.40 -0.26 0.05 0.00 1.07 0.00 0.00 42.92 44.18 2hgm s ASP 106 CO -0.02 0.01 0.68 -0.24 1.18 0.00 0.00 175.17 176.78 2hgm n SER 107 N -0.49 -1.29 0.09 0.27 2.88 -1.26 -5.01 113.62 108.82 2hgm n SER 107 Ca -0.06 -1.73 -0.03 0.00 -1.33 0.00 0.00 58.87 55.72 2hgm n SER 107 Cb 0.60 2.10 -0.04 0.00 -0.75 0.00 0.00 64.21 66.12 2hgm n SER 107 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2hgm h ALA 108 N 2.00 0.51 0.00 -1.46 0.00 -2.00 -3.45 119.26 114.86 2hgm h ALA 108 Ca -0.20 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 53.99 2hgm h ALA 108 Cb 0.84 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2hgm h ALA 108 CO 0.26 0.99 -0.29 0.27 0.00 0.00 0.00 179.25 180.48 2hgm n ASN 109 N -3.33 1.33 -2.34 0.00 6.94 -1.26 -3.86 115.26 112.74 2hgm n ASN 109 Ca 0.01 0.00 -0.21 0.00 -0.02 0.00 0.00 54.58 54.36 2hgm n ASN 109 Cb 0.84 0.08 -0.11 0.00 -2.36 0.00 0.00 39.78 38.23 2hgm n ASN 109 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2hgm n ASP 110 N -1.31 6.07 -4.56 0.53 8.00 -1.26 -2.69 116.55 121.33 2hgm n ASP 110 Ca 0.00 -2.79 -0.36 0.00 0.71 0.00 0.00 54.79 52.35 2hgm n ASP 110 Cb 0.15 -1.36 -0.04 0.00 -0.02 0.00 0.00 41.12 39.85 2hgm n ASP 110 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2hgm s GLY 111 N 1.32 0.87 0.41 0.44 0.00 -1.26 -4.25 107.32 104.85 2hgm s GLY 111 Ca 0.64 -2.01 0.02 0.00 0.00 0.00 0.00 44.72 43.37 2hgm s GLY 111 CO -0.09 2.98 0.61 -1.36 0.00 0.00 0.00 173.10 175.24 2hgm s PHE 112 N 6.84 3.19 -0.11 1.90 0.40 -0.26 -1.35 117.98 128.59 2hgm s PHE 112 Ca 0.55 0.10 -0.04 0.00 -0.60 0.00 0.00 56.93 56.93 2hgm s PHE 112 Cb -0.02 -2.21 0.06 0.00 0.51 0.00 0.00 43.02 41.36 2hgm s PHE 112 CO -0.06 -0.25 0.23 0.08 0.70 0.00 0.00 175.22 175.92 2hgm s VAL 113 N -2.44 -0.35 -0.07 -0.44 1.01 0.31 -1.19 120.40 117.23 2hgm s VAL 113 Ca 0.47 0.30 -0.13 0.00 0.00 0.00 0.00 61.98 62.62 2hgm s VAL 113 Cb -0.10 -0.39 -0.05 0.00 0.00 0.00 0.00 36.38 35.84 2hgm s VAL 113 CO 0.36 0.12 0.32 -0.60 0.00 0.00 0.00 175.10 175.31 2hgm s ARG 114 N 2.31 3.92 0.06 2.72 3.52 -0.06 -0.90 118.95 130.53 2hgm s ARG 114 Ca 0.01 0.22 0.02 0.00 -0.13 0.00 0.00 55.73 55.85 2hgm s ARG 114 Cb -0.12 -3.28 -0.04 0.00 -1.56 0.00 0.00 34.95 29.95 2hgm s ARG 114 CO -0.08 0.57 0.07 -0.51 -0.81 0.00 0.00 175.30 174.54 2hgm s LEU 115 N -0.58 3.78 -0.48 -0.88 2.01 0.57 -1.43 118.68 121.67 2hgm s LEU 115 Ca 0.20 0.01 0.06 0.00 0.01 0.00 0.00 54.13 54.41 2hgm s LEU 115 Cb -0.15 -2.40 0.19 0.00 0.01 0.00 0.00 46.19 43.85 2hgm s LEU 115 CO 0.09 0.20 0.64 -1.14 1.01 0.00 0.00 176.35 177.15 2hgm n ARG 116 N 0.65 0.49 0.00 1.70 0.00 -1.25 -2.01 116.66 116.24 2hgm n ARG 116 Ca -0.10 -2.34 0.00 0.00 -0.00 0.00 0.00 57.85 55.41 2hgm n ARG 116 Cb 0.52 -1.51 0.00 0.00 0.00 0.00 0.00 32.46 31.47 2hgm n ARG 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2hgm n GLY 117 N 2.68 0.00 3.83 5.14 0.00 0.72 -3.86 105.19 113.69 2hgm n GLY 117 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 2hgm n GLY 117 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hgm s LEU 118 N 0.00 3.84 0.90 0.99 1.43 -0.84 -2.20 118.68 122.80 2hgm s LEU 118 Ca 0.00 1.66 -0.14 0.00 -1.03 0.00 0.00 54.13 54.61 2hgm s LEU 118 Cb 0.00 -4.53 0.15 0.00 0.03 0.00 0.00 46.19 41.84 2hgm s LEU 118 CO 0.00 -0.44 1.26 -2.16 0.23 0.00 0.00 176.35 175.24 2hgm s PRO 119 N -3.47 1.16 0.12 1.29 0.04 -1.26 -4.43 135.00 128.45 2hgm s PRO 119 Ca 0.61 -0.22 -0.33 0.00 0.04 0.00 0.00 61.00 61.10 2hgm s PRO 119 Cb -0.09 -1.89 -0.13 0.00 0.04 0.00 0.00 34.50 32.42 2hgm s PRO 119 CO 0.19 -2.09 1.68 0.34 0.04 0.00 0.00 177.00 177.16 2hgm n PHE 120 N -3.58 2.38 -1.12 0.56 -0.00 -1.26 -1.97 117.46 112.47 2hgm n PHE 120 Ca 0.12 0.14 -0.04 0.00 -0.00 0.00 0.00 57.45 57.67 2hgm n PHE 120 Cb 0.60 -2.60 -0.02 0.00 -0.00 0.00 0.00 39.48 37.46 2hgm n PHE 120 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2hgm n GLY 121 N 3.75 0.66 3.66 7.13 0.00 -1.26 -4.95 105.19 114.18 2hgm n GLY 121 Ca 0.18 -0.31 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 2hgm n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgm s THR 123 N -1.72 0.09 0.31 0.00 -1.32 -1.26 -4.82 115.64 106.91 2hgm s THR 123 Ca 0.76 -1.43 0.07 0.00 -1.21 0.00 0.00 61.69 59.88 2hgm s THR 123 Cb -0.35 -1.78 0.32 0.00 -1.51 0.00 0.00 72.50 69.18 2hgm s THR 123 CO 0.47 -0.40 1.65 0.50 -2.21 0.00 0.00 174.62 174.63 2hgm h LYS 124 N 2.64 0.24 0.00 7.08 3.64 -1.96 -0.28 116.57 127.92 2hgm h LYS 124 Ca -0.33 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 2hgm h LYS 124 Cb 1.22 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 2hgm h LYS 124 CO 0.51 0.16 0.00 0.93 -2.27 0.00 0.00 179.45 178.78 2hgm h GLU 125 N 0.25 0.00 0.00 1.90 3.07 -1.97 0.28 114.58 118.11 2hgm h GLU 125 Ca 0.62 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 59.37 2hgm h GLU 125 Cb 1.32 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.21 2hgm h GLU 125 CO -0.65 0.00 -0.52 0.93 -1.40 0.00 0.00 179.01 177.38 2hgm h GLU 126 N 0.00 0.00 -0.13 2.33 5.08 -1.46 -2.18 114.58 118.22 2hgm h GLU 126 Ca 0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 2hgm h GLU 126 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2hgm h GLU 126 CO 0.00 0.52 -0.72 0.82 -1.00 0.00 0.00 179.01 178.63 2hgm h ILE 127 N 0.00 1.33 -0.00 3.13 2.04 -0.96 -1.19 117.51 121.86 2hgm h ILE 127 Ca -0.01 -2.02 0.00 0.00 1.00 0.00 0.00 64.86 63.84 2hgm h ILE 127 Cb 1.33 2.00 -0.00 0.00 -0.74 0.00 0.00 36.82 39.41 2hgm h ILE 127 CO 0.07 0.62 0.00 -0.37 0.00 0.00 0.00 178.15 178.47 2hgm h VAL 128 N 0.41 0.09 0.00 1.67 -1.51 -0.39 -0.55 116.25 115.97 2hgm h VAL 128 Ca -0.03 0.00 -0.27 0.00 -1.23 0.00 0.00 66.70 65.17 2hgm h VAL 128 Cb 1.31 1.00 -0.05 0.00 -2.13 0.00 0.00 31.29 31.41 2hgm h VAL 128 CO 0.13 0.00 -1.86 0.00 -1.23 0.00 0.00 177.57 174.62 2hgm n GLN 129 N -3.21 0.65 -0.14 5.19 -0.00 -0.83 -2.27 117.38 116.77 2hgm n GLN 129 Ca -0.03 0.17 -0.08 0.00 -0.00 0.00 0.00 57.00 57.06 2hgm n GLN 129 Cb 0.08 -1.70 0.01 0.00 -0.00 0.00 0.00 30.24 28.62 2hgm n GLN 129 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.06 177.41 2hgm h PHE 130 N 0.00 0.53 -0.40 2.61 3.57 -0.24 -2.93 116.94 120.08 2hgm h PHE 130 Ca -0.32 0.01 -0.27 0.00 3.53 0.00 0.00 57.97 60.92 2hgm h PHE 130 Cb 1.94 -0.18 -0.18 0.00 2.79 0.00 0.00 35.95 40.32 2hgm h PHE 130 CO 0.00 0.33 -0.35 1.19 -2.23 0.00 0.00 178.31 177.25 2hgm n PHE 131 N -4.80 1.38 0.24 0.41 3.72 -0.31 -4.55 117.46 113.56 2hgm n PHE 131 Ca 0.01 -1.85 0.17 0.00 -0.05 0.00 0.00 57.45 55.73 2hgm n PHE 131 Cb 0.03 -0.44 0.79 0.00 -0.94 0.00 0.00 39.48 38.91 2hgm n PHE 131 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2hgm h SER 132 N 1.40 0.00 -0.79 4.37 4.64 -1.25 -1.82 113.55 120.10 2hgm h SER 132 Ca 0.23 0.00 0.20 0.00 -0.47 0.00 0.00 61.79 61.74 2hgm h SER 132 Cb 1.37 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.42 2hgm h SER 132 CO 0.46 0.00 0.55 1.23 -0.87 0.00 0.00 176.83 178.20 2hgm h GLY 133 N 0.00 0.43 -2.55 -0.77 0.00 -1.81 -3.47 103.07 94.90 2hgm h GLY 133 Ca 0.08 -0.10 -0.26 0.00 0.00 0.00 0.00 47.33 47.05 2hgm h GLY 133 CO -0.00 0.01 -0.62 1.08 0.00 0.00 0.00 176.54 177.01 2hgm s LEU 134 N -9.04 1.30 -0.14 3.11 1.02 -0.68 -5.15 118.68 109.09 2hgm s LEU 134 Ca -0.07 -1.38 -0.09 0.00 0.02 0.00 0.00 54.13 52.62 2hgm s LEU 134 Cb 0.21 0.29 -0.04 0.00 0.02 0.00 0.00 46.19 46.67 2hgm s LEU 134 CO 0.77 -0.81 0.15 -0.70 0.02 0.00 0.00 176.35 175.78 2hgm s GLU 135 N -4.12 3.74 -0.01 1.70 2.12 -1.26 -5.00 118.70 115.86 2hgm s GLU 135 Ca 0.38 -0.13 0.02 0.00 0.36 0.00 0.00 54.97 55.60 2hgm s GLU 135 Cb 0.07 -3.28 -0.00 0.00 0.26 0.00 0.00 34.13 31.18 2hgm s GLU 135 CO 0.12 0.59 -0.07 0.42 -0.54 0.00 0.00 175.26 175.78 2hgm s ILE 136 N -0.51 0.59 0.69 -3.70 1.01 -1.26 -1.48 121.20 116.54 2hgm s ILE 136 Ca 0.13 -0.31 -0.17 0.00 0.00 0.00 0.00 60.65 60.31 2hgm s ILE 136 Cb -0.12 -0.51 0.01 0.00 0.01 0.00 0.00 42.46 41.86 2hgm s ILE 136 CO 0.02 0.17 1.24 0.68 0.00 0.00 0.00 174.94 177.06 2hgm s VAL 137 N -0.09 2.21 0.61 2.92 -7.23 -1.19 -4.66 120.40 112.98 2hgm s VAL 137 Ca 0.02 0.12 0.29 0.00 -1.81 0.00 0.00 61.98 60.59 2hgm s VAL 137 Cb -0.04 -2.86 0.35 0.00 0.56 0.00 0.00 36.38 34.39 2hgm s VAL 137 CO -0.00 -0.04 1.91 -0.65 -0.31 0.00 0.00 175.10 176.01 2hgm h PRO 138 N 0.13 0.00 -0.49 4.82 0.11 -1.95 0.16 132.00 134.78 2hgm h PRO 138 Ca -0.49 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.34 2hgm h PRO 138 Cb 1.31 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 32.02 2hgm h PRO 138 CO 0.51 0.00 -1.09 0.09 -0.21 0.00 0.00 178.00 177.30 2hgm n ASN 139 N -3.46 1.88 0.32 -2.05 3.02 -1.26 -4.97 115.26 108.74 2hgm n ASN 139 Ca 0.05 -2.22 0.17 0.00 -0.03 0.00 0.00 54.58 52.55 2hgm n ASN 139 Cb 0.56 -0.47 0.87 0.00 -0.61 0.00 0.00 39.78 40.13 2hgm n ASN 139 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2hgm h GLY 140 N 2.59 0.00 -6.10 7.41 0.00 -0.90 -3.43 103.07 102.64 2hgm h GLY 140 Ca -0.09 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.65 2hgm h GLY 140 CO 0.25 0.00 -0.15 -0.42 0.00 0.00 0.00 176.54 176.22 2hgm s ILE 141 N -4.16 5.18 -0.08 2.60 1.01 -1.26 -0.60 121.20 123.89 2hgm s ILE 141 Ca -0.04 0.82 0.04 0.00 0.00 0.00 0.00 60.65 61.48 2hgm s ILE 141 Cb 0.10 -3.77 -0.00 0.00 0.01 0.00 0.00 42.46 38.79 2hgm s ILE 141 CO 0.32 0.26 -0.22 -0.89 0.00 0.00 0.00 174.94 174.41 2hgm s THR 142 N 1.18 1.86 -0.47 2.92 2.01 0.73 -4.96 115.64 118.90 2hgm s THR 142 Ca 0.22 -0.92 0.03 0.00 0.31 0.00 0.00 61.69 61.33 2hgm s THR 142 Cb -0.15 -1.60 0.13 0.00 0.01 0.00 0.00 72.50 70.89 2hgm s THR 142 CO 0.09 0.52 0.23 -0.76 -0.69 0.00 0.00 174.62 174.00 2hgm s LEU 143 N 0.20 3.74 0.00 4.42 2.01 -1.26 -0.85 118.68 126.94 2hgm s LEU 143 Ca -0.12 -2.75 0.00 0.00 0.01 0.00 0.00 54.13 51.27 2hgm s LEU 143 Cb -0.16 -1.41 0.00 0.00 0.01 0.00 0.00 46.19 44.63 2hgm s LEU 143 CO 0.06 -0.26 0.08 -0.81 1.01 0.00 0.00 176.35 176.42 2hgm n PRO 144 N 3.43 0.00 -3.68 1.29 -0.04 -1.26 -5.06 135.00 129.68 2hgm n PRO 144 Ca 0.06 0.47 -0.01 0.00 -0.04 0.00 0.00 63.50 63.98 2hgm n PRO 144 Cb 0.34 -1.01 -0.01 0.00 -0.04 0.00 0.00 33.50 32.78 2hgm n PRO 144 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2hgm s VAL 145 N -1.10 0.00 1.02 0.52 -7.23 -1.26 -4.85 120.40 107.51 2hgm s VAL 145 Ca 0.00 -0.42 -0.13 0.00 -1.81 0.00 0.00 61.98 59.62 2hgm s VAL 145 Cb 0.00 -1.93 0.20 0.00 0.56 0.00 0.00 36.38 35.21 2hgm s VAL 145 CO 0.00 0.00 1.10 1.51 -0.31 0.00 0.00 175.10 177.40 2hgm s ASP 146 N -2.92 2.48 0.00 4.85 -4.77 -1.25 -1.82 116.67 113.24 2hgm s ASP 146 Ca 0.13 1.08 0.00 0.00 -3.30 0.00 0.00 52.55 50.45 2hgm s ASP 146 Cb 0.01 -1.69 0.00 0.00 -1.09 0.00 0.00 42.92 40.16 2hgm s ASP 146 CO -0.01 -3.20 0.41 -2.65 0.70 0.00 0.00 175.17 170.42 2hgm n PRO 147 N -4.21 0.00 0.00 2.11 -0.02 -1.26 -1.88 135.00 129.74 2hgm n PRO 147 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 2hgm n PRO 147 Cb 0.58 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.56 2hgm n PRO 147 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2hgm n GLU 148 N -0.91 -0.46 -2.63 -0.52 2.13 -1.26 -5.07 120.64 111.92 2hgm n GLU 148 Ca 0.00 -0.30 -0.06 0.00 0.66 0.00 0.00 57.16 57.46 2hgm n GLU 148 Cb 0.00 -0.77 0.02 0.00 0.27 0.00 0.00 31.44 30.95 2hgm n GLU 148 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2hgm n GLY 149 N -0.01 0.49 0.00 8.31 0.00 -0.79 -4.94 105.19 108.25 2hgm n GLY 149 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 2hgm n GLY 149 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2hgm n LYS 150 N -1.60 3.19 0.00 1.61 2.85 -1.26 -4.97 118.16 117.97 2hgm n LYS 150 Ca -0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 2hgm n LYS 150 Cb 0.52 -0.58 0.00 0.00 -0.65 0.00 0.00 35.03 34.32 2hgm n LYS 150 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 177.40 178.86 2hgm n ILE 151 N -0.65 0.00 -2.66 0.58 0.00 -1.26 -4.99 119.36 110.38 2hgm n ILE 151 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 62.75 62.71 2hgm n ILE 151 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 39.64 39.71 2hgm n ILE 151 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2hgm n THR 152 N 0.00 0.00 -0.15 9.51 -2.24 -1.26 -3.89 114.28 116.25 2hgm n THR 152 Ca 0.00 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 2hgm n THR 152 Cb 0.00 0.93 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 2hgm n THR 152 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hgm n GLY 153 N 1.77 0.67 3.19 3.38 0.00 -1.24 -4.29 105.19 108.67 2hgm n GLY 153 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 2hgm n GLY 153 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2hgm s GLU 154 N -0.47 0.88 0.14 1.61 -1.05 -0.76 -0.20 118.70 118.85 2hgm s GLU 154 Ca 0.00 -1.32 -0.24 0.00 -0.15 0.00 0.00 54.97 53.26 2hgm s GLU 154 Cb 0.00 -0.36 0.08 0.00 -0.44 0.00 0.00 34.13 33.41 2hgm s GLU 154 CO 0.00 0.02 1.09 0.00 0.95 0.00 0.00 175.26 177.33 2hgm s ALA 155 N -3.31 -1.80 0.06 -0.84 0.00 -0.85 -4.07 121.76 110.95 2hgm s ALA 155 Ca 0.11 -0.20 -0.13 0.00 0.00 0.00 0.00 51.96 51.74 2hgm s ALA 155 Cb 0.03 0.77 0.02 0.00 0.00 0.00 0.00 23.12 23.94 2hgm s ALA 155 CO -0.03 -1.08 0.29 -0.06 0.00 0.00 0.00 175.76 174.89 2hgm s PHE 156 N -2.20 -0.07 -0.25 0.00 0.08 -0.03 -0.31 117.98 115.20 2hgm s PHE 156 Ca 0.23 -0.14 -0.09 0.00 0.12 0.00 0.00 56.93 57.05 2hgm s PHE 156 Cb -0.02 0.09 0.11 0.00 -0.57 0.00 0.00 43.02 42.62 2hgm s PHE 156 CO 0.04 -0.53 0.54 0.54 -0.10 0.00 0.00 175.22 175.71 2hgm s VAL 157 N -2.90 -0.71 -0.10 -0.44 0.11 -0.07 -0.20 120.40 116.08 2hgm s VAL 157 Ca -0.03 0.08 -0.20 0.00 -2.93 0.00 0.00 61.98 58.90 2hgm s VAL 157 Cb 0.00 -0.83 -0.04 0.00 -1.53 0.00 0.00 36.38 33.98 2hgm s VAL 157 CO -0.06 0.03 0.56 -1.58 -3.33 0.00 0.00 175.10 170.72 2hgm s GLN 158 N 2.59 4.37 0.00 1.54 2.00 0.23 -0.53 119.66 129.86 2hgm s GLN 158 Ca -0.05 0.60 0.00 0.00 -2.00 0.00 0.00 55.36 53.91 2hgm s GLN 158 Cb -0.11 -3.44 0.00 0.00 0.80 0.00 0.00 33.01 30.25 2hgm s GLN 158 CO -0.16 0.11 0.00 1.19 -0.50 0.00 0.00 175.29 175.93 2hgm n PHE 159 N 3.75 -1.95 0.56 1.67 3.01 -0.46 -3.31 117.46 120.73 2hgm n PHE 159 Ca -0.05 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.54 2hgm n PHE 159 Cb 0.51 0.00 0.44 0.00 -0.01 0.00 0.00 39.48 40.42 2hgm n PHE 159 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2hgm n ALA 160 N -3.00 2.07 -3.49 4.37 0.00 -0.55 -3.14 120.51 116.77 2hgm n ALA 160 Ca 0.00 0.01 -0.10 0.00 0.00 0.00 0.00 53.44 53.35 2hgm n ALA 160 Cb 0.00 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 17.98 2hgm n ALA 160 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2hgm s SER 161 N -4.39 -0.40 0.44 0.00 0.01 -1.26 -4.93 113.70 103.18 2hgm s SER 161 Ca 0.09 -0.30 0.14 0.00 1.31 0.00 0.00 55.95 57.19 2hgm s SER 161 Cb 0.11 0.63 1.06 0.00 0.21 0.00 0.00 66.02 68.03 2hgm s SER 161 CO 0.52 -1.09 2.00 1.56 0.41 0.00 0.00 173.24 176.64 2hgm h GLN 162 N 2.06 0.35 0.01 12.44 1.08 -1.62 -2.37 115.11 127.07 2hgm h GLN 162 Ca -0.29 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 56.89 2hgm h GLN 162 Cb 1.28 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.63 2hgm h GLN 162 CO 0.34 0.23 -0.00 1.49 -0.95 0.00 0.00 178.83 179.94 2hgm h GLU 163 N 0.36 -0.01 -0.71 1.46 4.57 -1.91 -2.19 114.58 116.16 2hgm h GLU 163 Ca 0.25 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.50 2hgm h GLU 163 Cb 0.49 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.04 2hgm h GLU 163 CO -0.06 0.61 0.47 -0.07 -1.18 0.00 0.00 179.01 178.78 2hgm h LEU 164 N -0.64 0.61 -0.39 1.64 3.38 -1.93 0.57 115.31 118.56 2hgm h LEU 164 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2hgm h LEU 164 Cb 0.62 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2hgm h LEU 164 CO 0.00 0.38 0.00 0.00 0.09 0.00 0.00 178.44 178.92 2hgm h ALA 165 N 1.62 1.00 0.03 1.53 0.00 -1.36 -2.64 119.26 119.45 2hgm h ALA 165 Ca 0.31 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.94 2hgm h ALA 165 Cb 0.34 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2hgm h ALA 165 CO -0.11 0.00 -1.56 1.49 0.00 0.00 0.00 179.25 179.07 2hgm h GLU 166 N 0.00 0.07 -0.44 0.00 4.57 -0.29 -3.11 114.58 115.39 2hgm h GLU 166 Ca 0.00 -0.12 -0.05 0.00 -1.18 0.00 0.00 59.36 58.01 2hgm h GLU 166 Cb 0.72 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.33 2hgm h GLU 166 CO 0.00 0.78 0.06 0.87 -1.18 0.00 0.00 179.01 179.54 2hgm h LYS 167 N 0.02 0.68 -0.43 1.92 1.79 -1.10 -3.26 116.57 116.20 2hgm h LYS 167 Ca -0.24 -0.14 -0.06 0.00 -2.18 0.00 0.00 60.65 58.03 2hgm h LYS 167 Cb 1.97 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 32.50 2hgm h LYS 167 CO 0.11 0.65 0.04 0.00 -1.08 0.00 0.00 179.45 179.17 2hgm h ALA 168 N 1.42 0.57 -0.57 3.86 0.00 -1.44 -2.20 119.26 120.90 2hgm h ALA 168 Ca 0.14 -0.24 0.17 0.00 0.00 0.00 0.00 54.91 54.98 2hgm h ALA 168 Cb 0.31 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2hgm h ALA 168 CO 0.00 0.32 0.62 -0.07 0.00 0.00 0.00 179.25 180.13 2hgm h LEU 169 N 0.57 0.00 -1.79 0.00 4.07 -1.58 0.24 115.31 116.83 2hgm h LEU 169 Ca 0.13 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.09 2hgm h LEU 169 Cb 0.42 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.16 2hgm h LEU 169 CO 0.01 0.00 0.05 1.23 -1.08 0.00 0.00 178.44 178.65 2hgm h GLY 170 N 0.00 0.00 2.00 0.83 0.00 -1.51 -1.00 103.07 103.39 2hgm h GLY 170 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 2hgm h GLY 170 CO -0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 2hgm n LYS 171 N -2.47 0.18 0.00 4.80 4.76 0.07 -4.88 118.16 120.62 2hgm n LYS 171 Ca -0.02 0.44 0.00 0.00 -2.87 0.00 0.00 58.31 55.86 2hgm n LYS 171 Cb 0.09 -1.87 0.00 0.00 -1.84 0.00 0.00 35.03 31.41 2hgm n LYS 171 CO 0.00 0.00 0.00 -2.39 -1.37 0.00 0.00 177.40 173.64 2hgm n HIS 172 N -2.22 0.00 -1.83 2.13 1.44 -0.38 -1.80 115.22 112.56 2hgm n HIS 172 Ca 0.02 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.73 2hgm n HIS 172 Cb 0.21 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.32 2hgm n HIS 172 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 2hgm n LYS 173 N 0.00 0.00 -0.48 -1.40 3.00 -1.25 -4.24 118.16 113.79 2hgm n LYS 173 Ca 0.00 -0.32 -0.28 0.00 -0.00 0.00 0.00 58.31 57.71 2hgm n LYS 173 Cb 0.00 -0.20 0.22 0.00 0.00 0.00 0.00 35.03 35.04 2hgm n LYS 173 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2hgm n GLU 174 N 0.00 -2.78 -4.21 1.64 1.02 -0.75 -3.91 120.64 111.65 2hgm n GLU 174 Ca 0.00 -0.81 -0.26 0.00 -0.02 0.00 0.00 57.16 56.07 2hgm n GLU 174 Cb 0.55 -1.80 -0.07 0.00 -0.02 0.00 0.00 31.44 30.10 2hgm n GLU 174 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2hgm s ARG 175 N -4.03 2.43 0.26 3.49 3.52 -1.26 -0.86 118.95 122.50 2hgm s ARG 175 Ca 0.57 -1.14 0.02 0.00 -0.13 0.00 0.00 55.73 55.05 2hgm s ARG 175 Cb -0.14 -2.35 -0.05 0.00 -1.56 0.00 0.00 34.95 30.85 2hgm s ARG 175 CO 0.56 0.44 0.07 0.42 -0.81 0.00 0.00 175.30 175.98 2hgm s ILE 176 N -1.83 0.73 0.00 4.11 1.01 -0.17 -4.85 121.20 120.20 2hgm s ILE 176 Ca 0.28 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 58.93 2hgm s ILE 176 Cb -0.09 -2.60 0.00 0.00 0.01 0.00 0.00 42.46 39.79 2hgm s ILE 176 CO 0.19 -0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.67 2hgm n GLY 177 N -0.48 0.00 0.00 6.18 0.00 -1.26 -1.97 105.19 107.65 2hgm n GLY 177 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2hgm n GLY 177 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2hgm n HIS 178 N 0.00 0.00 -4.39 1.61 8.25 -1.26 -5.11 115.22 114.32 2hgm n HIS 178 Ca 0.00 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.24 2hgm n HIS 178 Cb 0.00 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.04 2hgm n HIS 178 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2hgm n ARG 179 N -0.15 0.51 -3.53 -0.41 3.00 -0.83 -4.98 116.66 110.26 2hgm n ARG 179 Ca 0.00 -3.19 -0.19 0.00 -0.01 0.00 0.00 57.85 54.45 2hgm n ARG 179 Cb 0.08 2.08 -0.14 0.00 0.00 0.00 0.00 32.46 34.49 2hgm n ARG 179 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 2hgm s TYR 180 N -3.10 -0.18 -0.13 -1.55 2.02 -0.93 -1.00 117.35 112.47 2hgm s TYR 180 Ca 0.27 0.17 0.01 0.00 -0.37 0.00 0.00 57.07 57.14 2hgm s TYR 180 Cb 0.01 -0.41 -0.01 0.00 -0.40 0.00 0.00 41.96 41.15 2hgm s TYR 180 CO 0.19 -0.55 -0.15 0.42 -1.57 0.00 0.00 175.55 173.89 2hgm s ILE 181 N 2.29 2.81 0.68 2.71 1.01 -0.04 -4.63 121.20 126.02 2hgm s ILE 181 Ca 0.05 -0.74 -0.16 0.00 0.00 0.00 0.00 60.65 59.80 2hgm s ILE 181 Cb -0.15 -2.17 0.01 0.00 0.01 0.00 0.00 42.46 40.16 2hgm s ILE 181 CO -0.11 0.53 1.18 -1.61 0.00 0.00 0.00 174.94 174.93 2hgm s GLU 182 N 0.45 2.53 -0.01 2.79 8.01 -1.25 -3.80 118.70 127.41 2hgm s GLU 182 Ca -0.11 1.68 0.00 0.00 0.01 0.00 0.00 54.97 56.55 2hgm s GLU 182 Cb -0.16 -1.89 0.01 0.00 -4.31 0.00 0.00 34.13 27.78 2hgm s GLU 182 CO 0.05 -1.52 0.00 0.14 0.01 0.00 0.00 175.26 173.95 2hgm s VAL 183 N -1.97 0.05 0.01 2.63 -7.23 -1.26 -3.79 120.40 108.84 2hgm s VAL 183 Ca 0.73 0.06 0.00 0.00 -1.81 0.00 0.00 61.98 60.96 2hgm s VAL 183 Cb -0.27 -0.11 -0.01 0.00 0.56 0.00 0.00 36.38 36.55 2hgm s VAL 183 CO 0.41 0.06 -0.02 -0.36 -0.31 0.00 0.00 175.10 174.88 2hgm s PHE 184 N 0.47 0.17 0.20 2.82 0.08 -0.51 -4.99 117.98 116.22 2hgm s PHE 184 Ca -0.04 -0.19 -0.30 0.00 0.12 0.00 0.00 56.93 56.52 2hgm s PHE 184 Cb -0.06 -0.12 -0.08 0.00 -0.57 0.00 0.00 43.02 42.19 2hgm s PHE 184 CO -0.01 -0.06 1.10 0.21 -0.10 0.00 0.00 175.22 176.35 2hgm s LYS 185 N -0.53 4.61 0.16 0.44 2.47 -1.26 -0.88 119.74 124.74 2hgm s LYS 185 Ca -0.05 1.73 -0.03 0.00 -1.56 0.00 0.00 55.97 56.06 2hgm s LYS 185 Cb -0.04 -3.26 -0.03 0.00 -1.46 0.00 0.00 37.83 33.04 2hgm s LYS 185 CO -0.00 0.12 0.13 -1.12 0.16 0.00 0.00 175.35 174.63 2hgm s SER 186 N -0.32 0.21 0.05 1.43 0.01 -0.33 -4.84 113.70 109.91 2hgm s SER 186 Ca 0.48 -1.17 -0.05 0.00 1.31 0.00 0.00 55.95 56.52 2hgm s SER 186 Cb -0.30 0.35 -0.02 0.00 0.21 0.00 0.00 66.02 66.26 2hgm s SER 186 CO 0.36 -0.80 0.08 -0.44 0.41 0.00 0.00 173.24 172.86 2hgm s SER 187 N -3.06 0.24 0.00 2.44 0.01 -1.26 -1.10 113.70 110.98 2hgm s SER 187 Ca 0.26 -0.67 0.00 0.00 1.31 0.00 0.00 55.95 56.85 2hgm s SER 187 Cb 0.06 0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.54 2hgm s SER 187 CO 0.04 -0.58 0.00 1.67 0.41 0.00 0.00 173.24 174.78 2hgm n GLN 188 N 0.43 0.00 0.00 12.44 -0.06 -1.26 -1.04 117.38 127.89 2hgm n GLN 188 Ca -0.17 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.83 2hgm n GLN 188 Cb 0.60 -0.85 0.00 0.00 -4.06 0.00 0.00 30.24 25.93 2hgm n GLN 188 CO 0.00 0.00 0.00 -1.91 -0.20 0.00 0.00 177.06 174.95 2hgm n GLU 189 N -0.16 2.17 0.24 3.69 4.07 -1.26 -4.63 120.64 124.76 2hgm n GLU 189 Ca 0.00 0.00 0.13 0.00 -0.06 0.00 0.00 57.16 57.23 2hgm n GLU 189 Cb 0.00 -0.83 0.49 0.00 -0.06 0.00 0.00 31.44 31.04 2hgm n GLU 189 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 2hgm h GLU 190 N 0.00 0.00 0.00 5.31 4.81 -1.51 -3.38 114.58 119.81 2hgm h GLU 190 Ca 0.00 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.96 2hgm h GLU 190 Cb 0.16 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.49 2hgm h GLU 190 CO 0.00 0.12 -2.04 1.33 -0.73 0.00 0.00 179.01 177.69 2hgm n VAL 191 N -3.23 1.22 -1.61 0.32 0.24 -1.25 -4.21 118.33 109.82 2hgm n VAL 191 Ca 0.01 -0.77 -0.33 0.00 -2.04 0.00 0.00 64.34 61.20 2hgm n VAL 191 Cb 0.41 -0.57 -0.04 0.00 -1.47 0.00 0.00 33.84 32.17 2hgm n VAL 191 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 2hgm n ARG 192 N -2.77 3.57 0.10 7.34 0.00 -1.26 -4.77 116.66 118.87 2hgm n ARG 192 Ca -0.22 -2.63 0.08 0.00 -0.00 0.00 0.00 57.85 55.08 2hgm n ARG 192 Cb 1.01 -2.47 0.39 0.00 -0.00 0.00 0.00 32.46 31.39 2hgm n ARG 192 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2hgm n SER 193 N 1.99 0.38 0.00 2.89 2.88 -1.26 -5.10 113.62 115.40 2hgm n SER 193 Ca 0.60 0.66 0.00 0.00 -1.33 0.00 0.00 58.87 58.80 2hgm n SER 193 Cb 0.40 -0.72 0.00 0.00 -0.75 0.00 0.00 64.21 63.14 2hgm n SER 193 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81