#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 0.00 -2.69 1.20 3.41 -1.26 -4.22 113.62 110.05 2hgm n SER 104 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.53 2hgm n SER 104 Cb 0.00 -0.04 0.09 0.00 -0.26 0.00 0.00 64.21 64.01 2hgm n SER 104 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hgm n ALA 105 N 0.07 1.81 -0.92 7.33 0.00 -1.26 -3.87 120.51 123.68 2hgm n ALA 105 Ca 0.00 -1.84 -0.29 0.00 0.00 0.00 0.00 53.44 51.31 2hgm n ALA 105 Cb 0.00 -0.99 0.22 0.00 0.00 0.00 0.00 19.45 18.68 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 -1.76 1.49 -0.47 0.00 1.01 -1.26 -5.07 116.67 110.61 2hgm s ASP 106 Ca 0.24 1.13 0.06 0.00 0.71 0.00 0.00 52.55 54.69 2hgm s ASP 106 Cb 0.41 -1.73 0.24 0.00 1.01 0.00 0.00 42.92 42.85 2hgm s ASP 106 CO -0.05 -3.83 0.79 -1.20 0.21 0.00 0.00 175.17 171.09 2hgm n SER 107 N -4.63 -2.21 0.00 0.27 7.64 -1.26 -4.93 113.62 108.50 2hgm n SER 107 Ca 0.06 -3.14 0.00 0.00 1.01 0.00 0.00 58.87 56.80 2hgm n SER 107 Cb 0.57 1.25 0.00 0.00 -1.01 0.00 0.00 64.21 65.02 2hgm n SER 107 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2hgm n ALA 108 N 1.66 1.53 0.00 -0.43 0.00 -1.26 -5.05 120.51 116.97 2hgm n ALA 108 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2hgm n ALA 108 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 2hgm n ALA 108 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2hgm n ASN 109 N -1.94 0.00 -1.98 0.00 5.15 -1.26 -4.51 115.26 110.71 2hgm n ASN 109 Ca 0.00 0.00 -0.03 0.00 -0.60 0.00 0.00 54.58 53.95 2hgm n ASN 109 Cb 0.00 0.14 -0.05 0.00 -0.53 0.00 0.00 39.78 39.34 2hgm n ASN 109 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2hgm n ASP 110 N -1.81 2.93 -4.56 1.20 9.92 -1.26 -1.85 116.55 121.12 2hgm n ASP 110 Ca 0.00 -1.92 -0.41 0.00 -0.53 0.00 0.00 54.79 51.93 2hgm n ASP 110 Cb 0.00 -0.71 -0.03 0.00 -0.64 0.00 0.00 41.12 39.74 2hgm n ASP 110 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 2hgm s GLY 111 N 2.23 0.77 0.26 0.44 0.00 -1.26 -4.51 107.32 105.25 2hgm s GLY 111 Ca 0.19 -0.97 0.05 0.00 0.00 0.00 0.00 44.72 43.99 2hgm s GLY 111 CO 0.00 2.83 0.39 -1.36 0.00 0.00 0.00 173.10 174.96 2hgm s PHE 112 N 6.41 3.42 -0.13 1.90 0.40 -0.50 -2.67 117.98 126.82 2hgm s PHE 112 Ca 0.47 -0.01 -0.04 0.00 -0.60 0.00 0.00 56.93 56.75 2hgm s PHE 112 Cb -0.10 -1.65 0.06 0.00 0.51 0.00 0.00 43.02 41.85 2hgm s PHE 112 CO 0.20 0.36 0.22 0.08 0.70 0.00 0.00 175.22 176.79 2hgm s VAL 113 N -2.03 -0.35 -0.21 -0.44 1.01 0.73 -0.67 120.40 118.43 2hgm s VAL 113 Ca 0.36 0.24 -0.08 0.00 0.00 0.00 0.00 61.98 62.50 2hgm s VAL 113 Cb -0.09 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 2hgm s VAL 113 CO 0.30 0.07 0.08 -0.60 0.00 0.00 0.00 175.10 174.95 2hgm s ARG 114 N 2.37 3.87 0.36 2.72 3.52 0.27 -0.88 118.95 131.18 2hgm s ARG 114 Ca 0.03 -0.38 -0.14 0.00 -0.13 0.00 0.00 55.73 55.10 2hgm s ARG 114 Cb -0.13 -3.29 -0.08 0.00 -1.56 0.00 0.00 34.95 29.89 2hgm s ARG 114 CO -0.08 0.08 0.77 -0.51 -0.81 0.00 0.00 175.30 174.75 2hgm s LEU 115 N 0.91 3.97 -0.49 -0.88 2.01 0.72 -1.67 118.68 123.24 2hgm s LEU 115 Ca 0.04 1.27 0.06 0.00 0.01 0.00 0.00 54.13 55.51 2hgm s LEU 115 Cb -0.14 -4.10 0.19 0.00 0.01 0.00 0.00 46.19 42.15 2hgm s LEU 115 CO 0.03 -0.29 0.65 -1.14 1.01 0.00 0.00 176.35 176.61 2hgm n ARG 116 N -0.71 0.47 0.00 1.70 0.00 -1.25 -2.75 116.66 114.13 2hgm n ARG 116 Ca 0.03 -2.28 0.00 0.00 -0.00 0.00 0.00 57.85 55.61 2hgm n ARG 116 Cb 0.53 -1.51 0.00 0.00 0.00 0.00 0.00 32.46 31.48 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 2.86 0.15 3.79 5.14 0.00 0.33 -3.81 105.19 113.65 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 3.62 0.88 0.99 1.43 -1.14 -3.22 118.68 121.24 2hgm s LEU 118 Ca 0.00 1.92 -0.13 0.00 -1.03 0.00 0.00 54.13 54.89 2hgm s LEU 118 Cb 0.00 -4.55 0.12 0.00 0.03 0.00 0.00 46.19 41.79 2hgm s LEU 118 CO 0.00 -1.11 1.18 -2.16 0.23 0.00 0.00 176.35 174.50 2hgm s PRO 119 N -3.72 1.41 0.25 1.29 0.04 -1.26 -4.62 135.00 128.38 2hgm s PRO 119 Ca 0.66 0.09 -0.31 0.00 0.04 0.00 0.00 61.00 61.48 2hgm s PRO 119 Cb -0.18 -1.89 -0.13 0.00 0.04 0.00 0.00 34.50 32.35 2hgm s PRO 119 CO 0.31 -1.98 1.54 0.34 0.04 0.00 0.00 177.00 177.25 2hgm n PHE 120 N -3.57 2.52 -1.39 0.56 -0.00 -1.26 -2.32 117.46 112.00 2hgm n PHE 120 Ca 0.09 0.30 -0.13 0.00 -0.00 0.00 0.00 57.45 57.70 2hgm n PHE 120 Cb 0.60 -2.55 -0.06 0.00 -0.00 0.00 0.00 39.48 37.48 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 2.48 1.40 3.64 7.13 0.00 -1.26 -5.00 105.19 113.58 2hgm n GLY 121 Ca 0.11 -0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.38 0.07 0.32 0.00 -1.32 -1.26 -4.91 115.64 107.15 2hgm s THR 123 Ca 0.70 -1.06 0.08 0.00 -1.21 0.00 0.00 61.69 60.20 2hgm s THR 123 Cb -0.46 -1.59 0.38 0.00 -1.51 0.00 0.00 72.50 69.32 2hgm s THR 123 CO 0.51 -0.30 1.51 0.29 -2.21 0.00 0.00 174.62 174.42 2hgm n LYS 124 N -0.23 -0.07 0.28 7.08 5.02 -1.26 -1.05 118.16 127.93 2hgm n LYS 124 Ca -0.11 1.40 0.17 0.00 -2.02 0.00 0.00 58.31 57.76 2hgm n LYS 124 Cb 0.63 -2.32 0.70 0.00 -0.02 0.00 0.00 35.03 34.03 2hgm n LYS 124 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2hgm h GLU 125 N 0.00 0.00 0.03 1.97 3.07 -1.97 0.37 114.58 118.05 2hgm h GLU 125 Ca 0.66 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 59.31 2hgm h GLU 125 Cb 1.52 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.42 2hgm h GLU 125 CO -0.85 0.00 -0.99 0.93 -1.40 0.00 0.00 179.01 176.70 2hgm h GLU 126 N 0.00 0.13 -0.39 2.33 4.39 -1.51 -1.95 114.58 117.57 2hgm h GLU 126 Ca 0.00 -0.18 -0.16 0.00 0.34 0.00 0.00 59.36 59.36 2hgm h GLU 126 Cb 0.49 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 2hgm h GLU 126 CO 0.00 1.01 -0.37 0.82 -1.16 0.00 0.00 179.01 179.31 2hgm h ILE 127 N 0.06 1.27 0.00 3.13 2.04 -1.09 -1.01 117.51 121.90 2hgm h ILE 127 Ca -0.05 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.27 2hgm h ILE 127 Cb 1.68 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 39.11 2hgm h ILE 127 CO 0.14 0.52 0.00 1.33 0.00 0.00 0.00 178.15 180.14 2hgm n VAL 128 N -4.06 1.24 -0.02 1.67 0.24 0.12 -1.25 118.33 116.26 2hgm n VAL 128 Ca -0.02 0.60 0.08 0.00 -2.04 0.00 0.00 64.34 62.96 2hgm n VAL 128 Cb 0.54 -1.58 -0.15 0.00 -1.47 0.00 0.00 33.84 31.17 2hgm n VAL 128 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2hgm n GLN 129 N -2.05 0.65 -0.00 7.34 -0.00 -0.74 -2.53 117.38 120.05 2hgm n GLN 129 Ca -0.00 -0.16 -0.12 0.00 -0.00 0.00 0.00 57.00 56.72 2hgm n GLN 129 Cb 0.05 -1.47 -0.07 0.00 -0.00 0.00 0.00 30.24 28.75 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 0.10 -0.16 2.61 3.04 -0.35 -3.29 116.94 118.88 2hgm h PHE 130 Ca -0.06 -0.01 -0.11 0.00 3.98 0.00 0.00 57.97 61.77 2hgm h PHE 130 Cb 1.05 -0.03 -0.08 0.00 2.56 0.00 0.00 35.95 39.46 2hgm h PHE 130 CO 0.00 0.22 -0.48 1.19 -2.02 0.00 0.00 178.31 177.23 2hgm n PHE 131 N -4.95 0.56 -0.08 0.41 3.72 -0.38 -4.52 117.46 112.21 2hgm n PHE 131 Ca -0.06 -1.63 0.25 0.00 -0.05 0.00 0.00 57.45 55.96 2hgm n PHE 131 Cb 0.11 -0.31 0.61 0.00 -0.94 0.00 0.00 39.48 38.95 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 1.17 0.00 -0.01 4.37 4.64 -1.56 -2.13 113.55 120.04 2hgm h SER 132 Ca 0.09 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2hgm h SER 132 Cb 1.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2hgm h SER 132 CO 0.17 0.00 0.00 1.23 -0.87 0.00 0.00 176.83 177.37 2hgm h GLY 133 N 0.00 0.03 -3.14 -0.77 0.00 -1.85 -3.48 103.07 93.87 2hgm h GLY 133 Ca 0.36 -0.01 -0.19 0.00 0.00 0.00 0.00 47.33 47.49 2hgm h GLY 133 CO -0.00 0.01 -0.69 1.08 0.00 0.00 0.00 176.54 176.94 2hgm s LEU 134 N -9.06 2.50 -0.11 3.11 1.02 -0.80 -5.14 118.68 110.20 2hgm s LEU 134 Ca -0.05 -0.99 -0.23 0.00 0.02 0.00 0.00 54.13 52.87 2hgm s LEU 134 Cb 0.17 0.01 -0.03 0.00 0.02 0.00 0.00 46.19 46.36 2hgm s LEU 134 CO 0.68 -0.50 0.72 -0.70 0.02 0.00 0.00 176.35 176.56 2hgm s GLU 135 N -3.80 4.37 -0.01 1.70 2.12 -1.26 -5.02 118.70 116.80 2hgm s GLU 135 Ca 0.10 0.87 0.04 0.00 0.36 0.00 0.00 54.97 56.33 2hgm s GLU 135 Cb 0.06 -3.49 -0.01 0.00 0.26 0.00 0.00 34.13 30.94 2hgm s GLU 135 CO -0.06 -0.06 -0.13 0.42 -0.54 0.00 0.00 175.26 174.88 2hgm s ILE 136 N 1.24 1.08 0.66 -3.70 1.01 -1.26 -2.25 121.20 117.98 2hgm s ILE 136 Ca 0.36 -0.57 -0.17 0.00 0.00 0.00 0.00 60.65 60.27 2hgm s ILE 136 Cb -0.17 -0.90 -0.00 0.00 0.01 0.00 0.00 42.46 41.39 2hgm s ILE 136 CO 0.16 0.31 1.25 0.68 0.00 0.00 0.00 174.94 177.33 2hgm s VAL 137 N -0.24 2.24 0.60 2.92 -7.23 -1.22 -4.74 120.40 112.74 2hgm s VAL 137 Ca 0.04 0.14 0.29 0.00 -1.81 0.00 0.00 61.98 60.64 2hgm s VAL 137 Cb -0.06 -2.95 0.36 0.00 0.56 0.00 0.00 36.38 34.30 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 0.35 0.00 -0.62 4.82 0.11 -1.98 0.18 132.00 134.87 2hgm h PRO 138 Ca -0.50 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.30 2hgm h PRO 138 Cb 1.32 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 32.02 2hgm h PRO 138 CO 0.52 0.00 -1.10 0.09 -0.21 0.00 0.00 178.00 177.31 2hgm n ASN 139 N -3.58 1.97 0.21 -2.05 3.02 -1.26 -4.94 115.26 108.64 2hgm n ASN 139 Ca 0.06 -2.39 0.18 0.00 -0.03 0.00 0.00 54.58 52.40 2hgm n ASN 139 Cb 0.59 -0.48 0.83 0.00 -0.61 0.00 0.00 39.78 40.11 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 2.65 0.00 -3.26 7.41 0.00 -0.85 -3.44 103.07 105.58 2hgm h GLY 140 Ca -0.07 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.78 2hgm h GLY 140 CO 0.33 0.00 0.26 -0.42 0.00 0.00 0.00 176.54 176.70 2hgm s ILE 141 N -4.44 4.34 -0.01 2.60 1.01 -1.26 -0.59 121.20 122.85 2hgm s ILE 141 Ca -0.04 1.63 -0.00 0.00 0.00 0.00 0.00 60.65 62.24 2hgm s ILE 141 Cb 0.13 -3.96 0.01 0.00 0.01 0.00 0.00 42.46 38.66 2hgm s ILE 141 CO 0.46 0.17 0.02 -0.89 0.00 0.00 0.00 174.94 174.70 2hgm s THR 142 N -1.57 -0.02 -0.47 2.92 2.01 0.68 -4.93 115.64 114.25 2hgm s THR 142 Ca 0.47 0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.58 2hgm s THR 142 Cb -0.18 -0.05 0.13 0.00 0.01 0.00 0.00 72.50 72.41 2hgm s THR 142 CO 0.23 0.03 0.25 -0.76 -0.69 0.00 0.00 174.62 173.68 2hgm s LEU 143 N 0.41 3.35 0.00 4.42 2.01 -1.26 -0.75 118.68 126.86 2hgm s LEU 143 Ca -0.03 -2.79 0.00 0.00 0.01 0.00 0.00 54.13 51.32 2hgm s LEU 143 Cb -0.05 -1.28 0.00 0.00 0.01 0.00 0.00 46.19 44.87 2hgm s LEU 143 CO -0.01 -0.25 0.00 -0.81 1.01 0.00 0.00 176.35 176.29 2hgm n PRO 144 N 3.36 0.00 -3.73 1.29 -0.04 -1.26 -5.06 135.00 129.56 2hgm n PRO 144 Ca 0.07 0.24 -0.06 0.00 -0.04 0.00 0.00 63.50 63.71 2hgm n PRO 144 Cb 0.33 -0.69 -0.02 0.00 -0.04 0.00 0.00 33.50 33.09 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 -0.73 0.00 1.09 0.52 -7.23 -1.26 -4.77 120.40 108.01 2hgm s VAL 145 Ca 0.00 -0.63 -0.15 0.00 -1.81 0.00 0.00 61.98 59.38 2hgm s VAL 145 Cb 0.00 -1.79 0.23 0.00 0.56 0.00 0.00 36.38 35.38 2hgm s VAL 145 CO 0.00 0.00 1.11 1.51 -0.31 0.00 0.00 175.10 177.41 2hgm s ASP 146 N -2.87 1.90 0.00 4.85 -4.77 -1.25 -2.18 116.67 112.35 2hgm s ASP 146 Ca 0.10 0.91 0.00 0.00 -3.30 0.00 0.00 52.55 50.26 2hgm s ASP 146 Cb -0.03 -1.38 0.00 0.00 -1.09 0.00 0.00 42.92 40.42 2hgm s ASP 146 CO 0.01 -3.55 0.60 -2.65 0.70 0.00 0.00 175.17 170.28 2hgm n PRO 147 N -4.42 0.00 0.00 2.11 -0.02 -1.26 -3.24 135.00 128.18 2hgm n PRO 147 Ca 0.09 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 2hgm n PRO 147 Cb 0.58 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 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 -1.10 1.12 0.00 -0.52 2.13 -1.26 -5.09 120.64 115.92 2hgm n GLU 148 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2hgm n GLU 148 Cb 0.02 -0.92 0.00 0.00 0.27 0.00 0.00 31.44 30.81 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 3.00 0.98 0.00 8.31 0.00 -1.20 -5.06 105.19 111.23 2hgm n GLY 149 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.37 0.00 1.61 -0.00 -1.26 -4.97 118.16 113.91 2hgm n LYS 150 Ca 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 58.31 58.20 2hgm n LYS 150 Cb 0.00 -0.51 0.00 0.00 -0.00 0.00 0.00 35.03 34.52 2hgm n LYS 150 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91 2hgm n ILE 151 N -0.08 0.00 -2.67 0.58 3.06 -1.26 -5.01 119.36 113.98 2hgm n ILE 151 Ca 0.00 0.00 -0.04 0.00 -2.50 0.00 0.00 62.75 60.21 2hgm n ILE 151 Cb 0.13 0.00 0.05 0.00 0.54 0.00 0.00 39.64 40.36 2hgm n ILE 151 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 2hgm n THR 152 N 0.00 0.00 0.06 9.51 -2.24 -1.26 -3.86 114.28 116.49 2hgm n THR 152 Ca 0.00 -0.41 0.01 0.00 -2.27 0.00 0.00 64.05 61.38 2hgm n THR 152 Cb 0.00 0.81 0.02 0.00 -2.10 0.00 0.00 70.33 69.06 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 2.17 0.28 3.24 3.38 0.00 -1.24 -4.51 105.19 108.51 2hgm n GLY 153 Ca 0.08 -0.09 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.51 1.03 0.24 1.61 -1.05 -0.93 -0.51 118.70 118.58 2hgm s GLU 154 Ca 0.04 -1.35 -0.20 0.00 -0.15 0.00 0.00 54.97 53.30 2hgm s GLU 154 Cb 0.03 -0.70 0.07 0.00 -0.44 0.00 0.00 34.13 33.08 2hgm s GLU 154 CO 0.04 0.11 0.95 0.00 0.95 0.00 0.00 175.26 177.30 2hgm s ALA 155 N -2.85 -1.34 0.11 -0.84 0.00 -1.11 -4.06 121.76 111.67 2hgm s ALA 155 Ca 0.13 -0.41 -0.15 0.00 0.00 0.00 0.00 51.96 51.53 2hgm s ALA 155 Cb -0.00 0.73 0.03 0.00 0.00 0.00 0.00 23.12 23.87 2hgm s ALA 155 CO 0.01 -1.04 0.36 -0.06 0.00 0.00 0.00 175.76 175.04 2hgm s PHE 156 N -2.37 -0.14 -0.26 0.00 0.40 0.07 -0.20 117.98 115.47 2hgm s PHE 156 Ca 0.19 -0.17 -0.15 0.00 -0.60 0.00 0.00 56.93 56.20 2hgm s PHE 156 Cb -0.03 0.20 0.08 0.00 0.51 0.00 0.00 43.02 43.77 2hgm s PHE 156 CO 0.07 -0.66 0.64 0.54 0.70 0.00 0.00 175.22 176.51 2hgm s VAL 157 N -3.69 -0.01 -0.11 -0.44 0.11 -0.06 -0.23 120.40 115.97 2hgm s VAL 157 Ca 0.03 0.02 -0.04 0.00 -2.93 0.00 0.00 61.98 59.05 2hgm s VAL 157 Cb 0.02 -0.93 -0.04 0.00 -1.53 0.00 0.00 36.38 33.91 2hgm s VAL 157 CO -0.11 0.01 0.05 -1.58 -3.33 0.00 0.00 175.10 170.14 2hgm s GLN 158 N 1.60 3.27 0.34 1.54 2.00 0.24 -0.20 119.66 128.46 2hgm s GLN 158 Ca -0.10 -0.31 0.04 0.00 -2.00 0.00 0.00 55.36 52.99 2hgm s GLN 158 Cb -0.06 -2.98 0.04 0.00 0.80 0.00 0.00 33.01 30.81 2hgm s GLN 158 CO -0.19 0.67 0.34 1.19 -0.50 0.00 0.00 175.29 176.80 2hgm n PHE 159 N 2.29 -1.58 0.65 1.67 3.01 -1.09 -3.41 117.46 118.99 2hgm n PHE 159 Ca -0.19 -1.36 0.08 0.00 1.01 0.00 0.00 57.45 57.00 2hgm n PHE 159 Cb 0.54 -0.30 0.38 0.00 -0.01 0.00 0.00 39.48 40.09 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 -2.42 1.82 -3.50 4.37 0.00 -0.95 -4.11 120.51 115.72 2hgm n ALA 160 Ca -0.10 -0.06 -0.11 0.00 0.00 0.00 0.00 53.44 53.17 2hgm n ALA 160 Cb 0.37 -1.28 -0.02 0.00 0.00 0.00 0.00 19.45 18.53 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 -2.89 -0.49 0.61 0.00 0.01 -1.24 -4.96 113.70 104.74 2hgm s SER 161 Ca 0.10 -0.10 0.38 0.00 1.31 0.00 0.00 55.95 57.65 2hgm s SER 161 Cb 0.11 0.58 2.00 0.00 0.21 0.00 0.00 66.02 68.93 2hgm s SER 161 CO 0.30 -0.97 2.24 -0.61 0.41 0.00 0.00 173.24 174.61 2hgm h GLN 162 N 2.00 0.00 0.05 12.44 5.75 -1.60 -2.41 115.11 131.34 2hgm h GLN 162 Ca -0.30 0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 58.04 2hgm h GLN 162 Cb 1.29 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.83 2hgm h GLN 162 CO 0.35 0.02 -0.84 1.49 -2.65 0.00 0.00 178.83 177.20 2hgm h GLU 163 N 0.00 0.10 -0.64 1.69 4.81 -1.93 -2.98 114.58 115.62 2hgm h GLU 163 Ca -0.00 -0.17 0.05 0.00 -0.13 0.00 0.00 59.36 59.11 2hgm h GLU 163 Cb 0.14 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 2hgm h GLU 163 CO 0.00 1.08 0.43 -0.07 -0.73 0.00 0.00 179.01 179.72 2hgm h LEU 164 N -0.74 0.62 -0.48 1.64 3.38 -1.92 0.95 115.31 118.76 2hgm h LEU 164 Ca -0.20 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2hgm h LEU 164 Cb 1.36 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2hgm h LEU 164 CO -0.03 0.42 0.00 0.00 0.09 0.00 0.00 178.44 178.92 2hgm n ALA 165 N -2.46 1.73 -0.05 1.53 0.00 -0.91 -2.72 120.51 117.62 2hgm n ALA 165 Ca 0.08 0.04 -0.08 0.00 0.00 0.00 0.00 53.44 53.48 2hgm n ALA 165 Cb 0.17 -1.36 -0.15 0.00 0.00 0.00 0.00 19.45 18.11 2hgm n ALA 165 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2hgm n GLU 166 N -2.07 0.66 -0.28 0.00 4.07 0.24 -3.06 120.64 120.20 2hgm n GLU 166 Ca 0.03 0.15 -0.02 0.00 -0.06 0.00 0.00 57.16 57.25 2hgm n GLU 166 Cb 0.24 -1.67 0.15 0.00 -0.06 0.00 0.00 31.44 30.10 2hgm n GLU 166 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 2hgm h LYS 167 N 0.00 1.14 -0.29 5.31 1.57 -1.26 -3.09 116.57 119.95 2hgm h LYS 167 Ca -0.39 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.24 2hgm h LYS 167 Cb 2.08 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 34.14 2hgm h LYS 167 CO 0.05 0.82 0.04 0.00 -0.57 0.00 0.00 179.45 179.80 2hgm h ALA 168 N 1.37 0.38 -0.69 3.86 0.00 -1.59 -2.29 119.26 120.30 2hgm h ALA 168 Ca 0.29 -0.19 0.20 0.00 0.00 0.00 0.00 54.91 55.21 2hgm h ALA 168 Cb -0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2hgm h ALA 168 CO -0.05 0.07 0.57 -0.07 0.00 0.00 0.00 179.25 179.78 2hgm h LEU 169 N 0.29 0.00 -2.75 0.00 4.07 -1.49 0.23 115.31 115.67 2hgm h LEU 169 Ca 0.09 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.05 2hgm h LEU 169 Cb 0.34 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.08 2hgm h LEU 169 CO 0.01 0.00 0.00 1.23 -1.08 0.00 0.00 178.44 178.60 2hgm h GLY 170 N 0.00 0.00 -2.79 0.83 0.00 -1.33 -2.87 103.07 96.91 2hgm h GLY 170 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 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 -3.00 0.62 -0.24 4.80 4.76 0.07 -4.82 118.16 120.35 2hgm n LYS 171 Ca -0.03 0.00 0.29 0.00 -2.87 0.00 0.00 58.31 55.70 2hgm n LYS 171 Cb 0.08 -1.19 0.69 0.00 -1.84 0.00 0.00 35.03 32.78 2hgm n LYS 171 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2hgm h HIS 172 N 1.54 0.11 0.00 2.13 2.76 -1.74 -2.35 115.15 117.61 2hgm h HIS 172 Ca 0.00 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.07 2hgm h HIS 172 Cb 0.62 -0.03 -0.23 0.00 1.55 0.00 0.00 27.41 29.32 2hgm h HIS 172 CO 0.19 0.02 -0.79 1.63 -1.30 0.00 0.00 177.93 177.68 2hgm n LYS 173 N -4.30 0.36 -0.04 5.26 4.76 -1.26 -4.12 118.16 118.83 2hgm n LYS 173 Ca 0.21 -2.10 -0.01 0.00 -2.87 0.00 0.00 58.31 53.53 2hgm n LYS 173 Cb 1.01 -0.47 0.01 0.00 -1.84 0.00 0.00 35.03 33.74 2hgm n LYS 173 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2hgm n GLU 174 N 0.01 -1.41 -4.02 1.97 1.02 -0.89 -4.48 120.64 112.85 2hgm n GLU 174 Ca 0.08 -0.08 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 2hgm n GLU 174 Cb 0.96 -0.08 -0.12 0.00 -0.02 0.00 0.00 31.44 32.19 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 -3.11 0.39 -0.03 3.49 3.52 -1.26 -1.07 118.95 120.88 2hgm s ARG 175 Ca 0.03 -0.60 -0.00 0.00 -0.13 0.00 0.00 55.73 55.03 2hgm s ARG 175 Cb -0.00 -0.09 0.03 0.00 -1.56 0.00 0.00 34.95 33.32 2hgm s ARG 175 CO 0.02 0.00 0.03 0.42 -0.81 0.00 0.00 175.30 174.97 2hgm s ILE 176 N -1.24 -0.04 0.00 4.11 1.01 -0.05 -4.74 121.20 120.25 2hgm s ILE 176 Ca -0.11 0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.78 2hgm s ILE 176 Cb -0.09 -0.12 0.00 0.00 0.01 0.00 0.00 42.46 42.26 2hgm s ILE 176 CO -0.00 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.66 2hgm n GLY 177 N 4.39 3.45 1.21 6.18 0.00 -1.26 -0.95 105.19 118.22 2hgm n GLY 177 Ca -0.23 0.04 0.11 0.00 0.00 0.00 0.00 46.02 45.94 2hgm n GLY 177 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2hgm n HIS 178 N 14.00 0.78 -4.70 1.61 -0.00 -1.26 -5.00 115.22 120.65 2hgm n HIS 178 Ca 0.00 -0.39 -0.31 0.00 0.46 0.00 0.00 57.72 57.48 2hgm n HIS 178 Cb 0.00 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 29.80 2hgm n HIS 178 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2hgm n ARG 179 N 1.47 0.67 -3.37 1.57 3.00 -0.12 -5.08 116.66 114.79 2hgm n ARG 179 Ca 0.22 -3.76 -0.07 0.00 -0.01 0.00 0.00 57.85 54.23 2hgm n ARG 179 Cb 0.58 1.34 -0.07 0.00 0.00 0.00 0.00 32.46 34.31 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 -2.99 -0.96 -0.03 -1.55 2.02 -1.20 -0.87 117.35 111.77 2hgm s TYR 180 Ca 0.07 1.11 0.05 0.00 -0.37 0.00 0.00 57.07 57.93 2hgm s TYR 180 Cb 0.00 0.17 -0.01 0.00 -0.40 0.00 0.00 41.96 41.73 2hgm s TYR 180 CO 0.05 -0.71 -0.17 0.42 -1.57 0.00 0.00 175.55 173.57 2hgm s ILE 181 N 2.62 1.39 0.62 2.71 1.01 -0.23 -4.65 121.20 124.65 2hgm s ILE 181 Ca 0.12 -0.71 -0.15 0.00 0.00 0.00 0.00 60.65 59.90 2hgm s ILE 181 Cb -0.15 -1.18 -0.02 0.00 0.01 0.00 0.00 42.46 41.12 2hgm s ILE 181 CO -0.16 0.40 1.07 -1.61 0.00 0.00 0.00 174.94 174.64 2hgm s GLU 182 N -0.09 3.16 -0.04 2.79 8.01 -1.25 -3.92 118.70 127.36 2hgm s GLU 182 Ca -0.01 1.24 -0.02 0.00 0.01 0.00 0.00 54.97 56.20 2hgm s GLU 182 Cb -0.10 -2.01 0.03 0.00 -4.31 0.00 0.00 34.13 27.74 2hgm s GLU 182 CO 0.01 -0.95 0.08 0.14 0.01 0.00 0.00 175.26 174.55 2hgm s VAL 183 N -2.46 -0.04 0.02 2.63 -7.23 -1.26 -3.76 120.40 108.31 2hgm s VAL 183 Ca 0.64 0.15 -0.01 0.00 -1.81 0.00 0.00 61.98 60.96 2hgm s VAL 183 Cb -0.17 -0.14 -0.02 0.00 0.56 0.00 0.00 36.38 36.61 2hgm s VAL 183 CO 0.39 0.06 -0.02 -0.36 -0.31 0.00 0.00 175.10 174.86 2hgm s PHE 184 N 0.86 0.27 0.36 2.82 0.08 -0.67 -4.96 117.98 116.74 2hgm s PHE 184 Ca -0.07 -0.56 -0.26 0.00 0.12 0.00 0.00 56.93 56.16 2hgm s PHE 184 Cb -0.09 -0.20 -0.09 0.00 -0.57 0.00 0.00 43.02 42.07 2hgm s PHE 184 CO -0.03 -0.21 1.08 0.21 -0.10 0.00 0.00 175.22 176.16 2hgm s LYS 185 N -1.70 4.28 0.25 0.44 2.47 -1.26 -0.56 119.74 123.66 2hgm s LYS 185 Ca -0.14 1.65 -0.11 0.00 -1.56 0.00 0.00 55.97 55.81 2hgm s LYS 185 Cb -0.08 -2.75 -0.01 0.00 -1.46 0.00 0.00 37.83 33.53 2hgm s LYS 185 CO -0.02 -0.07 0.44 -1.12 0.16 0.00 0.00 175.35 174.75 2hgm s SER 186 N -1.30 0.01 0.03 1.43 0.01 0.16 -4.81 113.70 109.24 2hgm s SER 186 Ca 0.54 -1.03 -0.05 0.00 1.31 0.00 0.00 55.95 56.72 2hgm s SER 186 Cb -0.26 0.57 -0.01 0.00 0.21 0.00 0.00 66.02 66.53 2hgm s SER 186 CO 0.33 -1.12 0.08 -0.44 0.41 0.00 0.00 173.24 172.49 2hgm s SER 187 N -3.05 0.19 0.00 2.44 0.01 -1.25 -1.40 113.70 110.63 2hgm s SER 187 Ca 0.25 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 56.98 2hgm s SER 187 Cb 0.00 0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.44 2hgm s SER 187 CO 0.10 -0.48 0.00 1.67 0.41 0.00 0.00 173.24 174.95 2hgm n GLN 188 N 0.90 0.00 0.00 12.44 -0.06 -1.26 -1.80 117.38 127.60 2hgm n GLN 188 Ca -0.20 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.80 2hgm n GLN 188 Cb 0.58 -0.60 0.00 0.00 -4.06 0.00 0.00 30.24 26.16 2hgm n GLN 188 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 2hgm n GLU 189 N -0.14 3.08 0.13 3.69 1.02 -1.26 -4.45 120.64 122.72 2hgm n GLU 189 Ca 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.22 2hgm n GLU 189 Cb 0.00 -0.56 0.04 0.00 -0.02 0.00 0.00 31.44 30.90 2hgm n GLU 189 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2hgm h GLU 190 N 0.00 0.00 0.03 3.49 4.39 -1.72 -3.40 114.58 117.37 2hgm h GLU 190 Ca 0.00 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.48 2hgm h GLU 190 Cb 0.06 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 2hgm h GLU 190 CO 0.00 0.14 -0.99 -0.39 -1.16 0.00 0.00 179.01 176.60 2hgm h VAL 191 N 0.00 1.53 -0.36 3.13 -1.51 -1.79 -3.34 116.25 113.92 2hgm h VAL 191 Ca -0.03 -2.87 -0.22 0.00 -1.23 0.00 0.00 66.70 62.35 2hgm h VAL 191 Cb 1.17 2.65 -0.11 0.00 -2.13 0.00 0.00 31.29 32.88 2hgm h VAL 191 CO 0.02 0.83 0.29 -2.11 -1.23 0.00 0.00 177.57 175.37 2hgm n ARG 192 N -3.57 1.55 -0.01 5.19 1.85 -1.26 -4.71 116.66 115.69 2hgm n ARG 192 Ca -0.04 -1.14 0.00 0.00 -1.00 0.00 0.00 57.85 55.67 2hgm n ARG 192 Cb 0.89 -1.45 0.00 0.00 -1.05 0.00 0.00 32.46 30.85 2hgm n ARG 192 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2hgm n SER 193 N 0.39 1.03 0.00 2.89 7.64 -1.26 -5.07 113.62 119.25 2hgm n SER 193 Ca 0.22 -0.70 0.00 0.00 1.01 0.00 0.00 58.87 59.40 2hgm n SER 193 Cb 0.68 -0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 2hgm n SER 193 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03