#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sxe h SER 106 N 0.00 -0.43 0.00 1.61 0.02 -2.08 -3.44 113.55 109.23 1sxe h SER 106 Ca 0.00 0.01 -0.21 0.00 -0.84 0.00 0.00 61.79 60.76 1sxe h SER 106 Cb 0.00 0.11 -0.14 0.00 0.14 0.00 0.00 62.40 62.51 1sxe h SER 106 CO 0.00 -0.21 -0.30 1.57 -1.14 0.00 0.00 176.83 176.74 1sxe n HIS 107 N -3.91 -2.30 -0.03 3.45 -0.00 -1.26 -5.00 115.22 106.16 1sxe n HIS 107 Ca -0.06 -1.81 -0.04 0.00 0.46 0.00 0.00 57.72 56.27 1sxe n HIS 107 Cb 0.20 1.56 -0.01 0.00 -0.12 0.00 0.00 29.99 31.62 1sxe n HIS 107 CO 0.00 0.00 0.00 -1.33 0.46 0.00 0.00 176.34 175.47 1sxe n MET 108 N -0.32 0.22 -3.86 1.57 2.81 -1.26 -5.03 117.12 111.25 1sxe n MET 108 Ca -0.03 0.09 -0.31 0.00 -1.81 0.00 0.00 57.70 55.63 1sxe n MET 108 Cb 0.79 -0.83 0.01 0.00 -0.71 0.00 0.00 33.22 32.48 1sxe n MET 108 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1sxe n GLU 109 N -3.49 -1.86 -3.86 0.03 -0.58 -1.26 -4.94 120.64 104.68 1sxe n GLU 109 Ca -0.06 0.37 -0.36 0.00 -0.42 0.00 0.00 57.16 56.69 1sxe n GLU 109 Cb 0.22 -4.03 -0.13 0.00 -0.57 0.00 0.00 31.44 26.93 1sxe n GLU 109 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1sxe s GLU 110 N -6.46 3.53 0.16 3.49 2.56 -1.26 -4.80 118.70 115.92 1sxe s GLU 110 Ca 0.28 -0.55 0.00 0.00 0.00 0.00 0.00 54.97 54.71 1sxe s GLU 110 Cb -0.11 -3.16 0.00 0.00 2.00 0.00 0.00 34.13 32.86 1sxe s GLU 110 CO 0.89 -0.16 0.00 1.17 -0.56 0.00 0.00 175.26 176.60 1sxe n LYS 111 N 4.78 0.00 -1.56 4.30 4.81 -1.26 -5.01 118.16 124.21 1sxe n LYS 111 Ca -0.17 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.22 1sxe n LYS 111 Cb 0.51 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.57 1sxe n LYS 111 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 1sxe n HIS 112 N -2.82 -0.71 -4.07 5.64 -0.00 -1.26 -5.09 115.22 106.90 1sxe n HIS 112 Ca 0.00 -0.88 -0.32 0.00 -0.00 0.00 0.00 57.72 56.52 1sxe n HIS 112 Cb 0.00 0.86 -0.15 0.00 -0.00 0.00 0.00 29.99 30.69 1sxe n HIS 112 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1sxe s MET 113 N 0.04 2.31 -0.44 1.57 0.23 -1.26 -4.67 119.30 117.08 1sxe s MET 113 Ca 0.03 -1.27 -0.20 0.00 -1.03 0.00 0.00 55.69 53.23 1sxe s MET 113 Cb 0.15 -2.83 0.03 0.00 -1.53 0.00 0.00 34.83 30.65 1sxe s MET 113 CO -0.04 -0.52 0.58 -1.25 -2.03 0.00 0.00 175.02 171.76 1sxe s PRO 114 N 1.14 3.20 0.24 3.16 0.04 -1.26 -4.98 135.00 136.54 1sxe s PRO 114 Ca -0.07 -0.55 -0.05 0.00 0.04 0.00 0.00 61.00 60.37 1sxe s PRO 114 Cb -0.19 -3.98 0.41 0.00 0.04 0.00 0.00 34.50 30.79 1sxe s PRO 114 CO -0.06 -1.00 1.74 -1.35 0.04 0.00 0.00 177.00 176.37 1sxe h PRO 115 N 8.86 0.44 -6.15 0.56 0.11 -1.99 -3.33 132.00 130.49 1sxe h PRO 115 Ca -0.26 -0.03 -0.56 0.00 0.11 0.00 0.00 66.00 65.26 1sxe h PRO 115 Cb 1.10 -0.10 -0.09 0.00 0.11 0.00 0.00 31.00 32.02 1sxe h PRO 115 CO 0.88 0.29 1.00 -2.14 -0.21 0.00 0.00 178.00 177.81 1sxe s PRO 116 N -6.04 3.21 0.00 1.05 0.02 -1.26 -4.90 135.00 127.08 1sxe s PRO 116 Ca -0.13 -0.44 0.00 0.00 0.02 0.00 0.00 61.00 60.46 1sxe s PRO 116 Cb 0.20 -4.29 0.00 0.00 0.02 0.00 0.00 34.50 30.43 1sxe s PRO 116 CO 0.76 -2.09 0.00 0.27 -0.33 0.00 0.00 177.00 175.61 1sxe n ASN 117 N 8.99 0.00 -4.07 2.53 0.23 -1.25 -5.08 115.26 116.61 1sxe n ASN 117 Ca 0.04 0.00 -0.22 0.00 -0.53 0.00 0.00 54.58 53.88 1sxe n ASN 117 Cb 0.48 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.10 1sxe n ASN 117 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 1sxe s MET 118 N 0.00 1.73 -0.43 -3.83 -1.94 -1.26 -5.05 119.30 108.52 1sxe s MET 118 Ca 0.00 -2.01 0.02 0.00 -1.71 0.00 0.00 55.69 51.99 1sxe s MET 118 Cb 0.00 -0.37 0.54 0.00 2.01 0.00 0.00 34.83 37.01 1sxe s MET 118 CO 0.00 -0.44 1.84 0.25 -0.01 0.00 0.00 175.02 176.67 1sxe n THR 119 N -0.72 3.01 0.00 2.05 -2.24 -1.26 -4.60 114.28 110.53 1sxe n THR 119 Ca -0.02 -1.85 0.00 0.00 -2.27 0.00 0.00 64.05 59.91 1sxe n THR 119 Cb 0.65 -0.68 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 1sxe n THR 119 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1sxe n THR 120 N -0.86 0.00 -1.15 4.28 -1.04 -1.26 -5.05 114.28 109.20 1sxe n THR 120 Ca 0.52 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.53 1sxe n THR 120 Cb 1.34 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.85 1sxe n THR 120 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1sxe n ASN 121 N -1.67 -6.53 -4.72 8.00 3.02 -1.26 -4.88 115.26 107.22 1sxe n ASN 121 Ca 0.00 0.82 -0.42 0.00 -0.03 0.00 0.00 54.58 54.95 1sxe n ASN 121 Cb 0.00 -2.72 -0.03 0.00 -0.61 0.00 0.00 39.78 36.42 1sxe n ASN 121 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1sxe s GLU 122 N -2.80 4.35 0.15 3.52 2.56 0.29 -4.65 118.70 122.12 1sxe s GLU 122 Ca 0.00 2.00 -0.18 0.00 0.00 0.00 0.00 54.97 56.80 1sxe s GLU 122 Cb 0.00 -3.27 0.03 0.00 2.00 0.00 0.00 34.13 32.89 1sxe s GLU 122 CO 0.00 -0.39 1.73 0.00 -0.56 0.00 0.00 175.26 176.04 1sxe h ARG 123 N 6.79 0.15 -0.02 4.30 2.47 -1.90 0.22 114.38 126.39 1sxe h ARG 123 Ca -0.42 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.30 1sxe h ARG 123 Cb 1.21 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 29.50 1sxe h ARG 123 CO 0.85 0.10 0.02 0.07 0.56 0.00 0.00 179.97 181.57 1sxe h ARG 124 N 0.15 0.00 0.00 0.04 -0.00 -1.94 -2.29 114.38 110.35 1sxe h ARG 124 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.12 1sxe h ARG 124 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.12 1sxe h ARG 124 CO -0.19 0.00 0.00 0.28 -0.00 0.00 0.00 179.97 180.06 1sxe n VAL 125 N -4.01 0.44 -3.50 0.08 0.31 -1.07 -5.00 118.33 105.57 1sxe n VAL 125 Ca -0.03 -0.50 -0.25 0.00 -0.01 0.00 0.00 64.34 63.56 1sxe n VAL 125 Cb 0.10 0.88 -0.00 0.00 -0.91 0.00 0.00 33.84 33.91 1sxe n VAL 125 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sxe n ILE 126 N -0.22 -1.09 -5.04 2.52 0.13 0.74 -4.93 119.36 111.46 1sxe n ILE 126 Ca 0.00 0.00 -0.29 0.00 -1.10 0.00 0.00 62.75 61.36 1sxe n ILE 126 Cb 0.31 -1.91 -0.16 0.00 -0.84 0.00 0.00 39.64 37.03 1sxe n ILE 126 CO 0.00 0.00 0.00 0.68 2.80 0.00 0.00 176.55 180.03 1sxe s VAL 127 N -3.00 1.74 0.24 9.51 -7.23 -0.98 -4.67 120.40 116.01 1sxe s VAL 127 Ca 0.46 -0.88 -0.30 0.00 -1.81 0.00 0.00 61.98 59.45 1sxe s VAL 127 Cb -0.24 -1.49 -0.15 0.00 0.56 0.00 0.00 36.38 35.06 1sxe s VAL 127 CO 0.57 0.49 1.05 -0.81 -0.31 0.00 0.00 175.10 176.09 1sxe n PRO 128 N 3.15 1.25 -0.48 4.82 -0.04 -1.26 0.11 135.00 142.55 1sxe n PRO 128 Ca -0.18 0.44 0.43 0.00 -0.04 0.00 0.00 63.50 64.14 1sxe n PRO 128 Cb 0.52 -1.84 0.74 0.00 -0.04 0.00 0.00 33.50 32.88 1sxe n PRO 128 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sxe h ALA 129 N 2.48 3.44 -2.43 0.55 0.00 -1.87 -3.30 119.26 118.12 1sxe h ALA 129 Ca -0.40 -0.05 -0.64 0.00 0.00 0.00 0.00 54.91 53.81 1sxe h ALA 129 Cb 1.34 0.11 -0.15 0.00 0.00 0.00 0.00 17.79 19.10 1sxe h ALA 129 CO 0.64 -1.98 -0.03 0.16 0.00 0.00 0.00 179.25 178.04 1sxe s ASP 130 N -4.21 6.33 0.00 0.00 1.47 -1.19 -2.79 116.67 116.27 1sxe s ASP 130 Ca -0.05 0.01 0.00 0.00 1.18 0.00 0.00 52.55 53.69 1sxe s ASP 130 Cb 0.23 -2.27 0.00 0.00 -0.34 0.00 0.00 42.92 40.54 1sxe s ASP 130 CO 0.78 -0.49 0.51 -2.65 0.68 0.00 0.00 175.17 174.01 1sxe n PRO 131 N 5.77 0.52 -0.12 2.11 -0.02 -1.24 -2.71 135.00 139.30 1sxe n PRO 131 Ca -0.04 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.29 1sxe n PRO 131 Cb 0.49 -1.24 -0.14 0.00 -0.02 0.00 0.00 33.50 32.59 1sxe n PRO 131 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1sxe n THR 132 N 0.73 1.45 0.38 3.45 -2.24 -1.25 -3.96 114.28 112.83 1sxe n THR 132 Ca 0.00 -0.68 0.12 0.00 -2.27 0.00 0.00 64.05 61.21 1sxe n THR 132 Cb 0.26 -1.04 0.20 0.00 -2.10 0.00 0.00 70.33 67.64 1sxe n THR 132 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1sxe n LEU 133 N -3.06 3.39 -4.70 3.22 4.77 -1.10 -1.30 117.00 118.21 1sxe n LEU 133 Ca -0.41 -1.44 -0.43 0.00 -0.03 0.00 0.00 56.01 53.70 1sxe n LEU 133 Cb 1.06 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.90 1sxe n LEU 133 CO 0.33 0.71 1.40 0.79 -1.33 0.00 0.00 177.39 179.28 1sxe n TRP 134 N 1.45 2.67 -1.52 -1.77 8.01 -1.25 -4.83 117.44 120.20 1sxe n TRP 134 Ca 0.18 -0.01 -0.30 0.00 -1.31 0.00 0.00 57.50 56.07 1sxe n TRP 134 Cb 0.60 -2.68 0.09 0.00 -2.01 0.00 0.00 31.31 27.31 1sxe n TRP 134 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 1sxe s SER 135 N 1.72 4.43 0.27 -0.99 0.15 -1.26 0.11 113.70 118.13 1sxe s SER 135 Ca 0.78 1.34 0.04 0.00 0.70 0.00 0.00 55.95 58.81 1sxe s SER 135 Cb -0.51 -2.07 0.73 0.00 -1.71 0.00 0.00 66.02 62.45 1sxe s SER 135 CO 0.35 -2.01 1.33 0.35 1.20 0.00 0.00 173.24 174.45 1sxe n THR 136 N -3.46 -0.36 0.08 6.45 -2.24 -1.26 -0.26 114.28 113.23 1sxe n THR 136 Ca 0.07 1.84 -0.22 0.00 -2.27 0.00 0.00 64.05 63.48 1sxe n THR 136 Cb 0.56 -2.74 -0.12 0.00 -2.10 0.00 0.00 70.33 65.93 1sxe n THR 136 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1sxe h ASP 137 N 0.00 0.88 0.81 3.42 2.03 -1.85 -3.10 116.42 118.61 1sxe h ASP 137 Ca 0.55 -0.80 0.00 0.00 -0.73 0.00 0.00 57.03 56.05 1sxe h ASP 137 Cb 1.20 -0.28 0.00 0.00 -0.83 0.00 0.00 39.33 39.42 1sxe h ASP 137 CO -0.77 1.59 0.00 0.45 -1.03 0.00 0.00 179.24 179.47 1sxe h HIS 138 N 0.29 0.00 0.14 4.15 3.86 -0.97 -0.53 115.15 122.08 1sxe h HIS 138 Ca -0.17 0.00 -0.33 0.00 -1.16 0.00 0.00 60.37 58.71 1sxe h HIS 138 Cb 1.84 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.31 1sxe h HIS 138 CO 0.12 0.00 -1.70 0.28 0.86 0.00 0.00 177.93 177.48 1sxe h VAL 139 N 0.00 0.96 0.00 2.45 2.07 -0.64 -3.10 116.25 118.00 1sxe h VAL 139 Ca 0.00 -2.61 -0.07 0.00 0.82 0.00 0.00 66.70 64.84 1sxe h VAL 139 Cb 0.40 2.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 1sxe h VAL 139 CO 0.00 0.82 -0.33 -0.09 0.02 0.00 0.00 177.57 177.99 1sxe h ARG 140 N 0.08 0.00 0.52 1.57 2.43 -1.42 -0.88 114.38 116.69 1sxe h ARG 140 Ca -0.31 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.83 1sxe h ARG 140 Cb 2.05 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 31.61 1sxe h ARG 140 CO 0.15 0.33 -0.25 0.37 -1.51 0.00 0.00 179.97 179.06 1sxe h GLN 141 N 0.00 -0.68 0.14 0.20 4.15 -1.04 0.27 115.11 118.16 1sxe h GLN 141 Ca -0.00 0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.47 1sxe h GLN 141 Cb 0.60 0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.43 1sxe h GLN 141 CO 0.04 -0.45 -0.18 2.35 -1.93 0.00 0.00 178.83 178.66 1sxe h TRP 142 N -0.83 -0.47 -1.33 3.99 7.01 -1.56 0.50 115.95 123.26 1sxe h TRP 142 Ca -0.07 0.01 0.39 0.00 2.11 0.00 0.00 58.89 61.32 1sxe h TRP 142 Cb 0.54 0.19 -0.09 0.00 -2.10 0.00 0.00 29.16 27.70 1sxe h TRP 142 CO 0.07 -0.27 0.91 1.25 -2.79 0.00 0.00 178.44 177.61 1sxe h LEU 143 N -0.37 0.17 0.00 0.65 5.85 -1.16 1.33 115.31 121.77 1sxe h LEU 143 Ca 0.01 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 1sxe h LEU 143 Cb 0.37 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1sxe h LEU 143 CO -0.07 -0.03 -0.28 -0.33 -0.34 0.00 0.00 178.44 177.39 1sxe h GLU 144 N 0.11 0.00 0.00 1.25 5.08 -0.41 -2.91 114.58 117.70 1sxe h GLU 144 Ca 0.71 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.07 1sxe h GLU 144 Cb 2.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.69 1sxe h GLU 144 CO -0.18 0.69 0.09 1.87 -1.00 0.00 0.00 179.01 180.48 1sxe n TRP 145 N -4.62 0.00 -0.11 4.33 -0.00 0.12 -0.15 117.44 117.01 1sxe n TRP 145 Ca -0.12 0.00 -0.21 0.00 -0.00 0.00 0.00 57.50 57.18 1sxe n TRP 145 Cb 0.39 -0.36 -0.10 0.00 -0.00 0.00 0.00 31.31 31.24 1sxe n TRP 145 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1sxe n ALA 146 N -1.35 0.83 -0.25 5.87 0.00 0.44 -1.71 120.51 124.33 1sxe n ALA 146 Ca 0.00 -0.61 0.15 0.00 0.00 0.00 0.00 53.44 52.98 1sxe n ALA 146 Cb 0.09 -0.32 0.44 0.00 0.00 0.00 0.00 19.45 19.66 1sxe n ALA 146 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1sxe h VAL 147 N -1.00 0.76 -0.36 0.00 2.07 -1.12 0.33 116.25 116.93 1sxe h VAL 147 Ca -0.36 -0.19 -0.10 0.00 0.82 0.00 0.00 66.70 66.87 1sxe h VAL 147 Cb 1.25 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1sxe h VAL 147 CO -0.22 0.10 -0.15 0.11 0.02 0.00 0.00 177.57 177.43 1sxe h LYS 148 N 0.55 0.75 0.02 1.57 1.79 -0.61 -2.65 116.57 117.99 1sxe h LYS 148 Ca 0.46 -0.32 -0.26 0.00 -2.18 0.00 0.00 60.65 58.35 1sxe h LYS 148 Cb 0.92 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.51 1sxe h LYS 148 CO -0.20 0.93 -1.35 1.49 -1.08 0.00 0.00 179.45 179.24 1sxe h GLU 149 N 0.54 0.04 -0.01 3.15 4.57 -0.50 -3.39 114.58 118.97 1sxe h GLU 149 Ca 0.08 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1sxe h GLU 149 Cb 0.69 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 1sxe h GLU 149 CO 0.05 0.83 -0.35 0.66 -1.18 0.00 0.00 179.01 179.01 1sxe n TYR 150 N -3.25 0.00 -2.68 0.92 4.01 0.11 -4.98 117.16 111.29 1sxe n TYR 150 Ca -0.09 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.58 1sxe n TYR 150 Cb 1.00 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 40.06 1sxe n TYR 150 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sxe n GLY 151 N 1.12 0.28 3.65 2.72 0.00 -1.01 -4.99 105.19 106.97 1sxe n GLY 151 Ca 0.06 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 1sxe n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sxe s LEU 152 N -3.39 4.10 -0.22 0.99 1.43 -1.18 -4.96 118.68 115.46 1sxe s LEU 152 Ca 0.09 0.98 -0.18 0.00 -1.03 0.00 0.00 54.13 54.00 1sxe s LEU 152 Cb -0.04 -3.11 -0.14 0.00 0.03 0.00 0.00 46.19 42.93 1sxe s LEU 152 CO 0.26 -0.44 -0.01 -0.81 0.23 0.00 0.00 176.35 175.57 1sxe n PRO 153 N 5.69 0.55 0.00 1.29 -0.04 -1.26 -4.42 135.00 136.82 1sxe n PRO 153 Ca 0.03 0.47 0.07 0.00 -0.04 0.00 0.00 63.50 64.04 1sxe n PRO 153 Cb 0.48 -1.66 0.40 0.00 -0.04 0.00 0.00 33.50 32.68 1sxe n PRO 153 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1sxe n ASP 154 N -4.41 0.00 -4.63 3.54 9.92 -1.26 -4.73 116.55 114.98 1sxe n ASP 154 Ca -0.34 -0.15 -0.42 0.00 -0.53 0.00 0.00 54.79 53.35 1sxe n ASP 154 Cb 0.67 -0.17 -0.04 0.00 -0.64 0.00 0.00 41.12 40.95 1sxe n ASP 154 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1sxe s VAL 155 N -2.33 4.69 -0.37 2.53 1.01 -1.26 -4.63 120.40 120.04 1sxe s VAL 155 Ca 0.18 1.45 -0.11 0.00 0.00 0.00 0.00 61.98 63.50 1sxe s VAL 155 Cb 0.10 -4.25 0.03 0.00 0.00 0.00 0.00 36.38 32.26 1sxe s VAL 155 CO 0.20 -0.31 0.20 0.21 0.00 0.00 0.00 175.10 175.40 1sxe s ASN 156 N 1.58 5.71 0.08 3.32 3.04 -1.26 -4.99 114.94 122.43 1sxe s ASN 156 Ca 0.38 -0.97 -0.12 0.00 0.04 0.00 0.00 52.86 52.20 1sxe s ASN 156 Cb -0.14 -2.02 -0.22 0.00 -1.54 0.00 0.00 41.25 37.34 1sxe s ASN 156 CO 0.13 -0.37 1.19 0.40 -3.04 0.00 0.00 177.10 175.40 1sxe h ILE 157 N 5.87 1.32 0.00 -5.21 1.08 -1.95 -3.14 117.51 115.47 1sxe h ILE 157 Ca -0.26 -2.39 0.00 0.00 -0.39 0.00 0.00 64.86 61.83 1sxe h ILE 157 Cb 1.11 2.50 0.00 0.00 -3.07 0.00 0.00 36.82 37.35 1sxe h ILE 157 CO 0.66 0.73 0.00 0.00 -0.69 0.00 0.00 178.15 178.85 1sxe n LEU 158 N -3.80 0.00 -0.06 1.44 -0.00 -1.26 -0.84 117.00 112.48 1sxe n LEU 158 Ca -0.11 0.00 -0.05 0.00 -0.00 0.00 0.00 56.01 55.85 1sxe n LEU 158 Cb 0.91 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 44.18 1sxe n LEU 158 CO 0.55 0.00 -0.88 0.18 -0.00 0.00 0.00 177.39 177.24 1sxe n LEU 159 N -0.68 0.24 0.00 1.47 4.32 -1.19 -4.19 117.00 116.98 1sxe n LEU 159 Ca 0.00 0.11 0.11 0.00 -0.02 0.00 0.00 56.01 56.22 1sxe n LEU 159 Cb 0.00 0.31 0.14 0.00 -1.62 0.00 0.00 43.42 42.25 1sxe n LEU 159 CO 0.00 0.35 0.30 0.49 -1.22 0.00 0.00 177.39 177.31 1sxe n PHE 160 N -2.73 0.02 -0.10 -1.77 3.01 -0.02 -4.17 117.46 111.70 1sxe n PHE 160 Ca -0.23 0.00 0.26 0.00 1.01 0.00 0.00 57.45 58.50 1sxe n PHE 160 Cb 1.00 -0.19 0.64 0.00 -0.01 0.00 0.00 39.48 40.92 1sxe n PHE 160 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1sxe h GLN 161 N 0.00 0.00 -0.03 -1.08 4.20 -1.71 0.65 115.11 117.15 1sxe h GLN 161 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1sxe h GLN 161 Cb 0.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.29 1sxe h GLN 161 CO 0.00 0.00 -0.08 0.09 -0.67 0.00 0.00 178.83 178.17 1sxe n ASN 162 N -3.59 2.84 -4.55 1.46 5.03 -1.26 -4.74 115.26 110.44 1sxe n ASN 162 Ca 0.17 -1.92 -0.40 0.00 0.87 0.00 0.00 54.58 53.30 1sxe n ASN 162 Cb 1.08 0.08 -0.10 0.00 -1.02 0.00 0.00 39.78 39.82 1sxe n ASN 162 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1sxe s ILE 163 N -2.07 5.24 0.79 2.41 1.01 0.23 -4.99 121.20 123.81 1sxe s ILE 163 Ca 0.26 0.03 -0.08 0.00 0.00 0.00 0.00 60.65 60.87 1sxe s ILE 163 Cb 0.20 -3.72 0.17 0.00 0.01 0.00 0.00 42.46 39.12 1sxe s ILE 163 CO 0.34 0.03 1.08 0.47 0.00 0.00 0.00 174.94 176.86 1sxe n ASP 164 N 5.22 0.65 0.27 3.58 9.92 -1.26 -4.42 116.55 130.51 1sxe n ASP 164 Ca -0.11 -1.74 0.11 0.00 -0.53 0.00 0.00 54.79 52.52 1sxe n ASP 164 Cb 0.50 -0.78 0.74 0.00 -0.64 0.00 0.00 41.12 40.94 1sxe n ASP 164 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1sxe h GLY 165 N -1.10 0.00 2.00 0.44 0.00 0.67 -0.11 103.07 104.97 1sxe h GLY 165 Ca -0.35 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 46.92 1sxe h GLY 165 CO 0.30 0.00 -0.26 0.07 0.00 0.00 0.00 176.54 176.66 1sxe h LYS 166 N 0.00 0.00 0.00 4.80 5.09 -1.39 0.22 116.57 125.29 1sxe h LYS 166 Ca -0.00 0.00 -0.27 0.00 0.09 0.00 0.00 60.65 60.47 1sxe h LYS 166 Cb 0.14 0.00 -0.05 0.00 0.10 0.00 0.00 32.23 32.42 1sxe h LYS 166 CO 0.01 0.26 -1.92 -1.91 -2.09 0.00 0.00 179.45 173.80 1sxe n GLU 167 N -3.71 0.65 0.06 0.07 4.07 -0.20 -3.71 120.64 117.87 1sxe n GLU 167 Ca -0.01 0.13 0.02 0.00 -0.06 0.00 0.00 57.16 57.24 1sxe n GLU 167 Cb 0.37 -1.68 -0.05 0.00 -0.06 0.00 0.00 31.44 30.02 1sxe n GLU 167 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1sxe h LEU 168 N 0.00 0.00 -1.34 4.31 5.85 -0.88 -3.10 115.31 120.15 1sxe h LEU 168 Ca -0.34 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.34 1sxe h LEU 168 Cb 1.94 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.96 1sxe h LEU 168 CO 0.05 0.51 -0.18 0.00 -0.34 0.00 0.00 178.44 178.48 1sxe n LYS 170 N -3.42 2.34 -3.39 0.00 5.02 -1.17 -4.93 118.16 112.60 1sxe n LYS 170 Ca -0.00 -1.82 -0.38 0.00 -2.02 0.00 0.00 58.31 54.09 1sxe n LYS 170 Cb 0.37 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.86 1sxe n LYS 170 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1sxe s MET 171 N -1.45 4.14 0.56 1.97 -1.94 -1.05 -5.06 119.30 116.47 1sxe s MET 171 Ca 0.33 0.47 0.02 0.00 -1.71 0.00 0.00 55.69 54.81 1sxe s MET 171 Cb 0.19 -3.31 0.04 0.00 2.01 0.00 0.00 34.83 33.76 1sxe s MET 171 CO 0.21 0.46 0.78 0.95 -0.01 0.00 0.00 175.02 177.41 1sxe s THR 172 N -0.37 2.62 0.61 2.05 -4.23 -1.26 -4.94 115.64 110.12 1sxe s THR 172 Ca 0.25 -0.71 0.33 0.00 -1.18 0.00 0.00 61.69 60.38 1sxe s THR 172 Cb -0.16 -2.91 0.37 0.00 1.34 0.00 0.00 72.50 71.14 1sxe s THR 172 CO 0.13 0.00 2.21 0.07 -0.54 0.00 0.00 174.62 176.49 1sxe h LYS 173 N 0.07 0.00 -0.00 3.99 2.10 -1.98 0.07 116.57 120.82 1sxe h LYS 173 Ca -0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 1sxe h LYS 173 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 1sxe h LYS 173 CO 0.49 0.00 -0.58 -0.40 -2.00 0.00 0.00 179.45 176.96 1sxe n ASP 174 N -3.62 0.98 0.05 7.07 5.68 -1.26 -3.50 116.55 121.96 1sxe n ASP 174 Ca -0.02 -0.79 -0.15 0.00 -0.50 0.00 0.00 54.79 53.34 1sxe n ASP 174 Cb 0.17 0.46 -0.14 0.00 -1.14 0.00 0.00 41.12 40.48 1sxe n ASP 174 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1sxe h ASP 175 N 0.63 0.30 0.94 -1.12 3.32 -1.35 -3.05 116.42 116.08 1sxe h ASP 175 Ca 0.00 -0.41 -0.05 0.00 0.02 0.00 0.00 57.03 56.59 1sxe h ASP 175 Cb 0.54 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1sxe h ASP 175 CO 0.00 1.34 -0.23 -0.26 -1.72 0.00 0.00 179.24 178.38 1sxe h PHE 176 N 0.05 0.00 -0.39 4.55 -1.00 -1.57 -3.12 116.94 115.46 1sxe h PHE 176 Ca -0.22 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.45 1sxe h PHE 176 Cb 1.98 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 41.53 1sxe h PHE 176 CO 0.05 0.23 -0.22 1.96 -1.61 0.00 0.00 178.31 178.72 1sxe h GLN 177 N 0.00 0.83 0.00 1.51 4.20 -1.57 0.68 115.11 120.75 1sxe h GLN 177 Ca -0.00 -0.38 0.00 0.00 0.06 0.00 0.00 58.65 58.33 1sxe h GLN 177 Cb 0.76 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.52 1sxe h GLN 177 CO 0.03 1.01 0.01 2.89 -0.67 0.00 0.00 178.83 182.10 1sxe n ARG 178 N -4.23 0.02 -0.00 1.46 1.85 -1.16 -1.33 116.66 113.26 1sxe n ARG 178 Ca -0.02 0.51 0.00 0.00 -1.00 0.00 0.00 57.85 57.34 1sxe n ARG 178 Cb 0.44 -1.56 -0.01 0.00 -1.05 0.00 0.00 32.46 30.29 1sxe n ARG 178 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1sxe n LEU 179 N -1.58 0.00 -3.06 2.89 4.77 -1.02 -4.94 117.00 114.06 1sxe n LEU 179 Ca -0.00 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1sxe n LEU 179 Cb 0.01 0.01 -0.00 0.00 -2.33 0.00 0.00 43.42 41.10 1sxe n LEU 179 CO 0.01 0.01 0.14 -0.89 -1.33 0.00 0.00 177.39 175.32 1sxe s THR 180 N -2.04 -0.92 0.00 -5.08 2.01 0.23 -4.38 115.64 105.46 1sxe s THR 180 Ca -0.00 -0.24 0.00 0.00 0.31 0.00 0.00 61.69 61.76 1sxe s THR 180 Cb 0.00 0.00 0.00 0.00 0.01 0.00 0.00 72.50 72.51 1sxe s THR 180 CO 0.03 0.00 0.17 -2.65 -0.69 0.00 0.00 174.62 171.48 1sxe n PRO 181 N 3.97 0.00 0.00 4.92 -0.02 -0.45 -3.43 135.00 139.99 1sxe n PRO 181 Ca 0.12 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1sxe n PRO 181 Cb 0.57 -0.71 0.00 0.00 -0.02 0.00 0.00 33.50 33.34 1sxe n PRO 181 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1sxe n SER 182 N -0.70 0.00 -0.13 2.55 7.64 -1.26 -3.93 113.62 117.79 1sxe n SER 182 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1sxe n SER 182 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1sxe n SER 182 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sxe n TYR 183 N -0.16 0.00 0.07 1.43 0.18 -1.26 -4.81 117.16 112.61 1sxe n TYR 183 Ca 0.00 0.00 0.11 0.00 1.88 0.00 0.00 57.90 59.89 1sxe n TYR 183 Cb 0.00 -0.01 -0.10 0.00 -0.38 0.00 0.00 39.34 38.85 1sxe n TYR 183 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 1sxe n ASN 184 N 0.00 0.33 0.12 9.48 5.03 -1.25 -3.91 115.26 125.07 1sxe n ASN 184 Ca 0.00 0.09 -0.13 0.00 0.87 0.00 0.00 54.58 55.41 1sxe n ASN 184 Cb 0.55 1.40 -0.06 0.00 -1.02 0.00 0.00 39.78 40.65 1sxe n ASN 184 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1sxe h ALA 185 N 2.03 -0.44 0.00 5.41 0.00 -1.71 -1.56 119.26 123.00 1sxe h ALA 185 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1sxe h ALA 185 Cb 0.98 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1sxe h ALA 185 CO 0.00 -0.79 0.00 -3.47 0.00 0.00 0.00 179.25 174.99 1sxe n ASP 186 N -5.37 0.00 -0.04 0.00 2.03 -1.26 -1.68 116.55 110.23 1sxe n ASP 186 Ca -0.07 0.38 -0.02 0.00 0.52 0.00 0.00 54.79 55.60 1sxe n ASP 186 Cb 0.28 -0.42 -0.01 0.00 -0.72 0.00 0.00 41.12 40.25 1sxe n ASP 186 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1sxe h ILE 187 N 0.00 0.00 -0.61 5.18 1.08 -1.42 -3.33 117.51 118.42 1sxe h ILE 187 Ca 0.00 -0.67 0.08 0.00 -0.39 0.00 0.00 64.86 63.88 1sxe h ILE 187 Cb 0.11 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 33.79 1sxe h ILE 187 CO 0.00 0.00 0.28 -0.07 -0.69 0.00 0.00 178.15 177.67 1sxe h LEU 188 N -0.67 0.35 -1.05 1.44 3.38 -1.30 -2.17 115.31 115.30 1sxe h LEU 188 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1sxe h LEU 188 Cb 0.23 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1sxe h LEU 188 CO 0.00 0.22 0.00 0.25 0.09 0.00 0.00 178.44 179.00 1sxe h LEU 189 N 0.50 0.00 0.00 1.67 5.85 -1.54 0.79 115.31 122.59 1sxe h LEU 189 Ca 0.29 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1sxe h LEU 189 Cb 0.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1sxe h LEU 189 CO -0.24 0.00 -0.58 -1.20 -0.34 0.00 0.00 178.44 176.08 1sxe n SER 190 N -2.99 0.56 -0.03 1.25 7.64 -0.84 -2.60 113.62 116.61 1sxe n SER 190 Ca 0.02 -0.30 -0.20 0.00 1.01 0.00 0.00 58.87 59.39 1sxe n SER 190 Cb 0.35 0.35 -0.13 0.00 -1.01 0.00 0.00 64.21 63.76 1sxe n SER 190 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1sxe n HIS 191 N -1.56 0.90 -0.02 1.43 8.25 -0.63 -4.27 115.22 119.32 1sxe n HIS 191 Ca 0.05 0.19 -0.12 0.00 -0.26 0.00 0.00 57.72 57.58 1sxe n HIS 191 Cb 0.35 -1.12 -0.08 0.00 1.12 0.00 0.00 29.99 30.26 1sxe n HIS 191 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1sxe h LEU 192 N 0.05 0.12 -1.21 2.41 5.85 -0.90 -1.89 115.31 119.74 1sxe h LEU 192 Ca -0.47 -0.34 0.04 0.00 0.84 0.00 0.00 57.88 57.96 1sxe h LEU 192 Cb 1.99 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.94 1sxe h LEU 192 CO 0.04 0.43 0.55 1.12 -0.34 0.00 0.00 178.44 180.24 1sxe h HIS 193 N -0.19 0.98 -0.43 1.25 2.07 -1.74 -1.06 115.15 116.04 1sxe h HIS 193 Ca 0.02 0.02 -0.03 0.00 -2.85 0.00 0.00 60.37 57.54 1sxe h HIS 193 Cb 0.37 -0.33 -0.02 0.00 2.57 0.00 0.00 27.41 30.01 1sxe h HIS 193 CO 0.04 0.55 0.16 -0.92 -3.07 0.00 0.00 177.93 174.70 1sxe h TYR 194 N 1.00 0.66 -0.40 6.12 3.20 -1.69 -2.57 116.97 123.30 1sxe h TYR 194 Ca 0.34 -0.05 0.06 0.00 3.14 0.00 0.00 58.73 62.22 1sxe h TYR 194 Cb 0.09 -0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.12 1sxe h TYR 194 CO -0.00 0.58 0.10 -0.07 -1.64 0.00 0.00 178.16 177.13 1sxe h LEU 195 N 0.55 0.06 0.00 2.82 3.38 -0.40 -2.24 115.31 119.48 1sxe h LEU 195 Ca 0.14 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1sxe h LEU 195 Cb 0.21 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1sxe h LEU 195 CO -0.01 0.07 0.00 -2.11 0.09 0.00 0.00 178.44 176.48 1sxe n ARG 196 N -5.07 0.99 0.27 1.13 1.85 -0.71 -2.06 116.66 113.07 1sxe n ARG 196 Ca 0.02 0.00 0.11 0.00 -1.00 0.00 0.00 57.85 56.98 1sxe n ARG 196 Cb 0.17 -1.47 0.74 0.00 -1.05 0.00 0.00 32.46 30.86 1sxe n ARG 196 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 1sxe h GLU 197 N 0.00 0.00 -4.95 2.89 4.39 -0.98 -3.36 114.58 112.57 1sxe h GLU 197 Ca 0.00 0.00 -0.66 0.00 0.34 0.00 0.00 59.36 59.04 1sxe h GLU 197 Cb 0.00 0.00 -0.28 0.00 -0.10 0.00 0.00 28.75 28.37 1sxe h GLU 197 CO 0.00 0.00 -0.70 0.95 -1.16 0.00 0.00 179.01 178.10 1sxe s THR 198 N -4.91 3.48 0.45 1.13 -4.23 -0.87 -5.12 115.64 105.57 1sxe s THR 198 Ca -0.05 -0.56 0.04 0.00 -1.18 0.00 0.00 61.69 59.95 1sxe s THR 198 Cb 0.16 -2.64 0.01 0.00 1.34 0.00 0.00 72.50 71.37 1sxe s THR 198 CO 0.62 0.34 0.63 -2.16 -0.54 0.00 0.00 174.62 173.52 1sxe s PRO 199 N 1.48 2.82 -0.38 3.99 0.04 -1.26 -3.19 135.00 138.49 1sxe s PRO 199 Ca 0.05 -0.95 -0.28 0.00 0.04 0.00 0.00 61.00 59.86 1sxe s PRO 199 Cb -0.15 -2.65 0.02 0.00 0.04 0.00 0.00 34.50 31.76 1sxe s PRO 199 CO -0.02 -0.36 1.07 -1.17 0.04 0.00 0.00 177.00 176.56 1sxe s LEU 200 N -4.48 3.85 0.00 -3.56 1.98 -1.26 -4.69 118.68 110.52 1sxe s LEU 200 Ca 0.53 0.79 0.14 0.00 -2.89 0.00 0.00 54.13 52.69 1sxe s LEU 200 Cb -0.10 -3.50 0.82 0.00 0.66 0.00 0.00 46.19 44.08 1sxe s LEU 200 CO 0.35 -0.99 1.25 -2.65 -1.89 0.00 0.00 176.35 172.41