#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sxe s SER 106 N 0.00 -1.24 0.27 1.61 0.15 -1.26 -4.98 113.70 108.25 1sxe s SER 106 Ca 0.00 -0.66 0.24 0.00 0.70 0.00 0.00 55.95 56.24 1sxe s SER 106 Cb 0.00 1.59 0.48 0.00 -1.71 0.00 0.00 66.02 66.38 1sxe s SER 106 CO 0.00 -0.13 1.56 -0.74 1.20 0.00 0.00 173.24 175.12 1sxe h HIS 107 N 6.55 0.00 -2.78 3.44 -0.00 -2.13 -3.44 115.15 116.79 1sxe h HIS 107 Ca 0.03 0.00 -0.56 0.00 -0.00 0.00 0.00 60.37 59.84 1sxe h HIS 107 Cb 1.19 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 28.56 1sxe h HIS 107 CO 0.09 0.00 1.20 1.41 -0.00 0.00 0.00 177.93 180.63 1sxe s MET 108 N -3.18 3.31 -0.17 5.26 -2.45 -1.26 -4.82 119.30 115.98 1sxe s MET 108 Ca 0.07 1.04 -0.17 0.00 -1.25 0.00 0.00 55.69 55.39 1sxe s MET 108 Cb 0.10 -4.16 -0.06 0.00 1.25 0.00 0.00 34.83 31.96 1sxe s MET 108 CO 0.67 -1.90 -0.33 -1.91 1.05 0.00 0.00 175.02 172.59 1sxe n GLU 109 N 8.45 0.51 0.00 4.11 4.07 -1.26 -4.99 120.64 131.53 1sxe n GLU 109 Ca 0.19 0.20 0.00 0.00 -0.06 0.00 0.00 57.16 57.49 1sxe n GLU 109 Cb 0.48 -1.39 0.00 0.00 -0.06 0.00 0.00 31.44 30.48 1sxe n GLU 109 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1sxe n GLU 110 N -4.40 0.00 -0.97 5.31 4.07 -1.26 -4.89 120.64 118.50 1sxe n GLU 110 Ca -0.15 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.95 1sxe n GLU 110 Cb 0.51 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.89 1sxe n GLU 110 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1sxe n LYS 111 N 0.00 -2.74 -2.21 5.31 5.02 -1.26 -4.66 118.16 117.63 1sxe n LYS 111 Ca 0.00 2.05 -0.43 0.00 -2.02 0.00 0.00 58.31 57.92 1sxe n LYS 111 Cb 0.00 -2.35 0.00 0.00 -0.02 0.00 0.00 35.03 32.66 1sxe n LYS 111 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1sxe n HIS 112 N -1.15 3.88 -3.57 2.13 8.25 -1.26 -4.78 115.22 118.72 1sxe n HIS 112 Ca 0.00 -2.95 -0.27 0.00 -0.26 0.00 0.00 57.72 54.24 1sxe n HIS 112 Cb 0.05 -2.42 -0.11 0.00 1.12 0.00 0.00 29.99 28.63 1sxe n HIS 112 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sxe n MET 113 N 6.22 0.91 0.08 -0.41 0.00 -1.26 -4.60 117.12 118.06 1sxe n MET 113 Ca 0.47 -3.72 -0.12 0.00 0.00 0.00 0.00 57.70 54.34 1sxe n MET 113 Cb 0.41 -1.90 -0.06 0.00 0.00 0.00 0.00 33.22 31.67 1sxe n MET 113 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 175.97 174.62 1sxe h PRO 114 N 5.41 -0.24 -5.22 3.17 0.11 -1.98 -3.39 132.00 129.86 1sxe h PRO 114 Ca 0.21 0.02 -0.64 0.00 0.11 0.00 0.00 66.00 65.70 1sxe h PRO 114 Cb 0.84 0.05 -0.15 0.00 0.11 0.00 0.00 31.00 31.86 1sxe h PRO 114 CO 0.52 -0.16 -0.09 -1.25 -0.21 0.00 0.00 178.00 176.81 1sxe s PRO 115 N -6.14 3.76 0.50 1.05 0.05 -1.26 -4.96 135.00 128.00 1sxe s PRO 115 Ca -0.14 -0.06 0.15 0.00 0.05 0.00 0.00 61.00 60.99 1sxe s PRO 115 Cb 0.07 -3.75 1.20 0.00 0.05 0.00 0.00 34.50 32.07 1sxe s PRO 115 CO 0.66 -0.52 2.13 -1.35 0.05 0.00 0.00 177.00 177.97 1sxe h PRO 116 N 8.33 0.10 0.00 0.56 0.11 -2.00 -3.46 132.00 135.64 1sxe h PRO 116 Ca -0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1sxe h PRO 116 Cb 1.14 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1sxe h PRO 116 CO 0.73 0.07 0.00 0.09 -0.21 0.00 0.00 178.00 178.68 1sxe n ASN 117 N -4.52 0.00 -3.98 -2.05 4.13 -1.26 -4.76 115.26 102.81 1sxe n ASN 117 Ca -0.02 0.00 -0.23 0.00 1.68 0.00 0.00 54.58 56.02 1sxe n ASN 117 Cb 0.10 0.00 -0.08 0.00 -1.54 0.00 0.00 39.78 38.25 1sxe n ASN 117 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1sxe s MET 118 N 0.00 1.81 -0.23 3.52 0.23 -1.26 -5.03 119.30 118.34 1sxe s MET 118 Ca 0.00 -2.08 0.19 0.00 -1.03 0.00 0.00 55.69 52.77 1sxe s MET 118 Cb 0.00 -0.36 0.48 0.00 -1.53 0.00 0.00 34.83 33.42 1sxe s MET 118 CO 0.00 -0.49 1.14 0.25 -2.03 0.00 0.00 175.02 173.90 1sxe n THR 119 N -0.78 1.45 -3.62 3.16 -2.24 -1.26 -5.00 114.28 105.99 1sxe n THR 119 Ca -0.02 -2.98 -0.29 0.00 -2.27 0.00 0.00 64.05 58.48 1sxe n THR 119 Cb 0.65 0.58 -0.14 0.00 -2.10 0.00 0.00 70.33 69.32 1sxe n THR 119 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1sxe s THR 120 N -3.43 0.61 -0.27 4.28 2.01 -1.26 -5.07 115.64 112.51 1sxe s THR 120 Ca 0.34 -1.61 -0.26 0.00 0.31 0.00 0.00 61.69 60.47 1sxe s THR 120 Cb 0.35 -1.46 0.16 0.00 0.01 0.00 0.00 72.50 71.56 1sxe s THR 120 CO -0.04 -0.82 1.22 0.54 -0.69 0.00 0.00 174.62 174.83 1sxe s ASN 121 N 1.29 -0.23 -0.29 3.53 4.22 -1.25 -2.76 114.94 119.44 1sxe s ASN 121 Ca 0.14 0.40 -0.22 0.00 -2.14 0.00 0.00 52.86 51.03 1sxe s ASN 121 Cb -0.20 0.38 0.17 0.00 1.28 0.00 0.00 41.25 42.88 1sxe s ASN 121 CO -0.15 -0.12 1.26 -0.70 -2.04 0.00 0.00 177.10 175.35 1sxe s GLU 122 N -0.25 0.20 1.05 3.55 2.56 -1.12 -5.01 118.70 119.68 1sxe s GLU 122 Ca 0.05 0.27 0.00 0.00 0.00 0.00 0.00 54.97 55.29 1sxe s GLU 122 Cb -0.04 0.09 0.00 0.00 2.00 0.00 0.00 34.13 36.18 1sxe s GLU 122 CO -0.09 -0.03 0.00 0.54 -0.56 0.00 0.00 175.26 175.13 1sxe n ARG 123 N 2.23 0.00 0.00 4.30 1.74 -1.26 -4.38 116.66 119.29 1sxe n ARG 123 Ca -0.13 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.95 1sxe n ARG 123 Cb 0.57 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.01 1sxe n ARG 123 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1sxe n ARG 124 N 0.00 1.43 -0.03 5.56 1.85 -1.26 -4.99 116.66 119.22 1sxe n ARG 124 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 57.85 56.71 1sxe n ARG 124 Cb 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.30 1sxe n ARG 124 CO 0.00 0.00 0.00 -0.39 -0.01 0.00 0.00 177.63 177.23 1sxe h VAL 125 N -0.10 1.53 -5.22 8.89 -1.51 -1.96 -3.46 116.25 114.42 1sxe h VAL 125 Ca 0.00 -1.68 -0.28 0.00 -1.23 0.00 0.00 66.70 63.51 1sxe h VAL 125 Cb 0.00 2.62 -0.15 0.00 -2.13 0.00 0.00 31.29 31.63 1sxe h VAL 125 CO 0.00 0.45 -0.42 0.00 -1.23 0.00 0.00 177.57 176.37 1sxe n ILE 126 N -4.68 -0.14 -1.34 7.19 0.13 -1.26 -2.81 119.36 116.44 1sxe n ILE 126 Ca -0.09 -0.07 -0.29 0.00 -1.10 0.00 0.00 62.75 61.20 1sxe n ILE 126 Cb 0.38 -0.30 0.17 0.00 -0.84 0.00 0.00 39.64 39.06 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 -2.52 1.93 -0.06 9.51 -7.23 -1.24 -3.82 120.40 116.96 1sxe s VAL 127 Ca 0.26 0.00 -0.38 0.00 -1.81 0.00 0.00 61.98 60.05 1sxe s VAL 127 Cb -0.15 -2.62 -0.16 0.00 0.56 0.00 0.00 36.38 34.01 1sxe s VAL 127 CO 0.46 0.00 1.54 -2.65 -0.31 0.00 0.00 175.10 174.14 1sxe n PRO 128 N -4.12 1.25 -0.23 4.82 -0.01 -1.11 -4.77 135.00 130.82 1sxe n PRO 128 Ca 0.08 0.45 0.32 0.00 -0.01 0.00 0.00 63.50 64.34 1sxe n PRO 128 Cb 0.59 -2.13 0.64 0.00 -0.01 0.00 0.00 33.50 32.59 1sxe n PRO 128 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1sxe h ALA 129 N 5.90 2.92 -2.02 3.55 0.00 -1.82 -3.19 119.26 124.59 1sxe h ALA 129 Ca -0.47 -0.04 -0.67 0.00 0.00 0.00 0.00 54.91 53.74 1sxe h ALA 129 Cb 1.32 0.08 -0.17 0.00 0.00 0.00 0.00 17.79 19.02 1sxe h ALA 129 CO 0.86 -1.52 0.18 0.34 0.00 0.00 0.00 179.25 179.11 1sxe s ASP 130 N -4.33 6.25 0.25 0.00 -1.08 -1.17 -1.86 116.67 114.73 1sxe s ASP 130 Ca -0.04 -0.80 0.19 0.00 -0.52 0.00 0.00 52.55 51.38 1sxe s ASP 130 Cb 0.18 -2.33 0.94 0.00 -1.46 0.00 0.00 42.92 40.26 1sxe s ASP 130 CO 0.62 -0.98 1.57 -2.65 0.52 0.00 0.00 175.17 174.25 1sxe n PRO 131 N 6.49 0.12 -0.14 4.34 -0.02 -1.21 -2.72 135.00 141.87 1sxe n PRO 131 Ca -0.05 0.56 0.12 0.00 -2.02 0.00 0.00 63.50 62.11 1sxe n PRO 131 Cb 0.46 -1.86 0.46 0.00 -0.02 0.00 0.00 33.50 32.54 1sxe n PRO 131 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1sxe h THR 132 N 0.00 0.88 -0.24 3.45 1.35 -1.88 0.90 112.91 117.37 1sxe h THR 132 Ca 0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 1sxe h THR 132 Cb 0.08 0.34 0.00 0.00 -1.73 0.00 0.00 68.15 66.84 1sxe h THR 132 CO 0.00 0.09 0.00 0.18 -0.25 0.00 0.00 175.52 175.54 1sxe n LEU 133 N -4.48 3.23 -4.61 3.87 4.77 -1.10 -1.05 117.00 117.63 1sxe n LEU 133 Ca 0.12 -1.27 -0.46 0.00 -0.03 0.00 0.00 56.01 54.37 1sxe n LEU 133 Cb 0.40 -0.15 -0.04 0.00 -2.33 0.00 0.00 43.42 41.30 1sxe n LEU 133 CO 0.33 0.64 1.69 0.79 -1.33 0.00 0.00 177.39 179.51 1sxe n TRP 134 N 1.40 2.10 -1.19 -1.77 8.01 0.31 -4.33 117.44 121.97 1sxe n TRP 134 Ca 0.17 -0.06 -0.31 0.00 -1.31 0.00 0.00 57.50 55.99 1sxe n TRP 134 Cb 0.60 -2.69 0.10 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 6.21 4.20 0.23 -0.99 0.15 -1.26 0.11 113.70 122.35 1sxe s SER 135 Ca 0.98 1.94 0.02 0.00 0.70 0.00 0.00 55.95 59.59 1sxe s SER 135 Cb -0.56 -2.54 0.58 0.00 -1.71 0.00 0.00 66.02 61.79 1sxe s SER 135 CO 0.44 -2.24 1.16 0.35 1.20 0.00 0.00 173.24 174.15 1sxe n THR 136 N -3.54 -0.31 0.11 6.45 -2.24 -1.26 0.22 114.28 113.70 1sxe n THR 136 Ca 0.10 1.63 -0.19 0.00 -2.27 0.00 0.00 64.05 63.32 1sxe n THR 136 Cb 0.53 -2.39 -0.15 0.00 -2.10 0.00 0.00 70.33 66.22 1sxe n THR 136 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1sxe h ASP 137 N 0.00 0.55 0.63 3.42 1.82 -1.81 -3.16 116.42 117.87 1sxe h ASP 137 Ca 0.45 -0.62 0.00 0.00 -0.39 0.00 0.00 57.03 56.48 1sxe h ASP 137 Cb 0.94 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.77 1sxe h ASP 137 CO -0.70 1.49 0.00 1.41 -1.61 0.00 0.00 179.24 179.83 1sxe n HIS 138 N -3.58 0.52 0.05 0.28 8.25 0.13 -0.80 115.22 120.07 1sxe n HIS 138 Ca -0.13 0.21 -0.20 0.00 -0.26 0.00 0.00 57.72 57.34 1sxe n HIS 138 Cb 1.05 -0.83 -0.14 0.00 1.12 0.00 0.00 29.99 31.19 1sxe n HIS 138 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1sxe h VAL 139 N 0.00 0.92 0.00 1.59 2.07 -0.75 -2.88 116.25 117.21 1sxe h VAL 139 Ca 0.00 -2.57 -0.05 0.00 0.82 0.00 0.00 66.70 64.89 1sxe h VAL 139 Cb 0.31 2.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.75 1sxe h VAL 139 CO 0.00 0.83 -0.25 -0.09 0.02 0.00 0.00 177.57 178.07 1sxe h ARG 140 N 0.08 0.00 0.20 1.57 2.43 -1.42 -2.32 114.38 114.92 1sxe h ARG 140 Ca -0.33 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.83 1sxe h ARG 140 Cb 2.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.61 1sxe h ARG 140 CO 0.14 0.25 -0.10 0.37 -1.51 0.00 0.00 179.97 179.13 1sxe h GLN 141 N 0.00 -0.26 -0.14 0.20 4.15 -0.87 -1.66 115.11 116.52 1sxe h GLN 141 Ca -0.00 0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.48 1sxe h GLN 141 Cb 0.49 0.06 -0.07 0.00 0.21 0.00 0.00 27.48 28.18 1sxe h GLN 141 CO 0.03 -0.17 -0.36 2.35 -1.93 0.00 0.00 178.83 178.75 1sxe h TRP 142 N -0.39 -1.00 -1.33 3.99 7.01 -1.59 0.18 115.95 122.82 1sxe h TRP 142 Ca -0.03 0.04 0.44 0.00 2.11 0.00 0.00 58.89 61.46 1sxe h TRP 142 Cb 0.21 0.46 -0.13 0.00 -2.10 0.00 0.00 29.16 27.60 1sxe h TRP 142 CO 0.10 -0.43 0.86 1.25 -2.79 0.00 0.00 178.44 177.43 1sxe h LEU 143 N -0.43 0.24 0.00 0.65 5.85 -1.48 1.66 115.31 121.79 1sxe h LEU 143 Ca 0.09 0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.92 1sxe h LEU 143 Cb 0.58 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1sxe h LEU 143 CO -0.38 -0.19 -0.24 -0.33 -0.34 0.00 0.00 178.44 176.96 1sxe h GLU 144 N 0.07 0.00 0.00 1.25 5.08 -0.26 -3.15 114.58 117.58 1sxe h GLU 144 Ca 0.83 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.19 1sxe h GLU 144 Cb 2.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.86 1sxe h GLU 144 CO -0.43 0.67 0.03 1.87 -1.00 0.00 0.00 179.01 180.15 1sxe n TRP 145 N -4.63 0.00 -0.03 4.33 -0.00 0.53 -1.29 117.44 116.36 1sxe n TRP 145 Ca -0.11 0.00 -0.17 0.00 -0.00 0.00 0.00 57.50 57.22 1sxe n TRP 145 Cb 0.37 -0.47 -0.14 0.00 -0.00 0.00 0.00 31.31 31.08 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 -1.47 1.14 0.08 5.87 0.00 0.54 -0.91 120.51 125.76 1sxe n ALA 146 Ca 0.00 -0.74 0.17 0.00 0.00 0.00 0.00 53.44 52.86 1sxe n ALA 146 Cb 0.03 -0.62 0.68 0.00 0.00 0.00 0.00 19.45 19.54 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 0.04 0.80 0.00 0.00 2.07 -1.14 0.67 116.25 118.68 1sxe h VAL 147 Ca -0.42 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.00 1sxe h VAL 147 Cb 2.03 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.59 1sxe h VAL 147 CO 0.06 0.00 -1.67 2.29 0.02 0.00 0.00 177.57 178.27 1sxe n LYS 148 N -4.40 0.64 -0.03 1.57 2.85 -1.19 -1.08 118.16 116.52 1sxe n LYS 148 Ca 0.06 0.02 -0.13 0.00 -1.05 0.00 0.00 58.31 57.20 1sxe n LYS 148 Cb 0.46 -1.67 -0.10 0.00 -0.65 0.00 0.00 35.03 33.07 1sxe n LYS 148 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 1sxe h GLU 149 N 0.00 0.11 -0.17 -1.58 4.81 0.02 -3.35 114.58 114.43 1sxe h GLU 149 Ca -0.13 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 1sxe h GLU 149 Cb 1.34 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.73 1sxe h GLU 149 CO 0.02 0.67 0.00 0.66 -0.73 0.00 0.00 179.01 179.63 1sxe n TYR 150 N -4.70 0.22 -2.74 0.92 4.01 0.22 -5.00 117.16 110.09 1sxe n TYR 150 Ca -0.08 -0.41 -0.08 0.00 -0.16 0.00 0.00 57.90 57.16 1sxe n TYR 150 Cb 0.34 -0.03 0.04 0.00 -0.31 0.00 0.00 39.34 39.38 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 0.12 0.21 3.74 2.72 0.00 -0.93 -5.01 105.19 106.04 1sxe n GLY 151 Ca 0.06 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.70 4.57 0.00 0.99 1.43 -0.24 -5.02 118.68 116.72 1sxe s LEU 152 Ca 0.10 1.88 0.00 0.00 -1.03 0.00 0.00 54.13 55.09 1sxe s LEU 152 Cb -0.05 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.57 1sxe s LEU 152 CO 0.30 0.04 0.00 -0.81 0.23 0.00 0.00 176.35 176.11 1sxe n PRO 153 N 2.12 0.00 -0.41 1.29 -0.04 -1.26 -4.78 135.00 131.93 1sxe n PRO 153 Ca 0.00 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 1sxe n PRO 153 Cb 0.48 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.86 1sxe n PRO 153 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1sxe n ASP 154 N 0.00 0.94 -4.77 3.54 5.75 -1.26 -4.85 116.55 115.91 1sxe n ASP 154 Ca 0.00 -2.36 -0.36 0.00 -0.01 0.00 0.00 54.79 52.06 1sxe n ASP 154 Cb 0.00 -0.56 -0.07 0.00 -1.03 0.00 0.00 41.12 39.45 1sxe n ASP 154 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1sxe s VAL 155 N 6.14 5.39 -0.49 2.12 1.01 -1.26 -4.97 120.40 128.34 1sxe s VAL 155 Ca 0.47 0.31 -0.18 0.00 0.00 0.00 0.00 61.98 62.57 1sxe s VAL 155 Cb 0.10 -3.50 0.05 0.00 0.00 0.00 0.00 36.38 33.03 1sxe s VAL 155 CO 0.22 0.47 0.56 0.21 0.00 0.00 0.00 175.10 176.56 1sxe s ASN 156 N 0.02 6.21 -0.06 3.32 3.04 -1.26 -4.92 114.94 121.28 1sxe s ASN 156 Ca 0.12 -0.93 -0.05 0.00 0.04 0.00 0.00 52.86 52.04 1sxe s ASN 156 Cb -0.12 -2.27 -0.27 0.00 -1.54 0.00 0.00 41.25 37.05 1sxe s ASN 156 CO 0.01 -0.81 0.59 0.40 -3.04 0.00 0.00 177.10 174.26 1sxe h ILE 157 N 5.83 0.85 0.00 -5.21 1.08 -1.95 -3.35 117.51 114.77 1sxe h ILE 157 Ca -0.27 -2.53 0.00 0.00 -0.39 0.00 0.00 64.86 61.67 1sxe h ILE 157 Cb 1.10 2.63 0.00 0.00 -3.07 0.00 0.00 36.82 37.48 1sxe h ILE 157 CO 0.93 0.83 0.00 0.00 -0.69 0.00 0.00 178.15 179.21 1sxe n LEU 158 N -3.46 0.00 -0.00 1.44 -0.00 -1.26 -0.57 117.00 113.15 1sxe n LEU 158 Ca -0.25 0.00 0.04 0.00 -0.00 0.00 0.00 56.01 55.80 1sxe n LEU 158 Cb 1.06 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 44.35 1sxe n LEU 158 CO 0.47 0.00 -0.61 0.18 -0.00 0.00 0.00 177.39 177.43 1sxe n LEU 159 N -0.61 0.33 0.02 1.47 4.32 -1.26 -4.23 117.00 117.04 1sxe n LEU 159 Ca 0.00 0.14 0.11 0.00 -0.02 0.00 0.00 56.01 56.24 1sxe n LEU 159 Cb 0.00 0.11 0.09 0.00 -1.62 0.00 0.00 43.42 42.00 1sxe n LEU 159 CO 0.00 0.11 0.17 0.49 -1.22 0.00 0.00 177.39 176.95 1sxe n PHE 160 N -2.57 0.15 -0.43 -1.77 3.01 0.26 -4.25 117.46 111.86 1sxe n PHE 160 Ca -0.11 0.04 0.39 0.00 1.01 0.00 0.00 57.45 58.78 1sxe n PHE 160 Cb 0.75 -0.31 0.74 0.00 -0.01 0.00 0.00 39.48 40.65 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 0.04 -0.02 -1.08 4.20 -1.73 0.36 115.11 116.88 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 0.61 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1sxe h GLN 161 CO 0.00 0.03 -0.39 0.09 -0.67 0.00 0.00 178.83 177.89 1sxe n ASN 162 N -4.20 2.15 -4.70 1.46 3.02 -1.26 -4.49 115.26 107.23 1sxe n ASN 162 Ca 0.31 -1.57 -0.37 0.00 -0.03 0.00 0.00 54.58 52.91 1sxe n ASN 162 Cb 1.42 0.40 -0.07 0.00 -0.61 0.00 0.00 39.78 40.92 1sxe n ASN 162 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1sxe s ILE 163 N -2.34 5.23 0.54 2.41 1.01 0.12 -4.96 121.20 123.22 1sxe s ILE 163 Ca 0.19 0.73 -0.05 0.00 0.00 0.00 0.00 60.65 61.52 1sxe s ILE 163 Cb 0.18 -3.73 -0.01 0.00 0.01 0.00 0.00 42.46 38.91 1sxe s ILE 163 CO 0.51 0.32 0.84 -0.62 0.00 0.00 0.00 174.94 175.99 1sxe s ASP 164 N 0.74 5.87 0.61 3.58 -1.08 -1.26 -4.25 116.67 120.87 1sxe s ASP 164 Ca 0.20 0.76 0.37 0.00 -0.52 0.00 0.00 52.55 53.36 1sxe s ASP 164 Cb -0.14 -1.90 1.99 0.00 -1.46 0.00 0.00 42.92 41.40 1sxe s ASP 164 CO 0.07 -0.85 2.25 1.23 0.52 0.00 0.00 175.17 178.39 1sxe h GLY 165 N 0.02 0.00 2.00 2.66 0.00 0.61 0.29 103.07 108.65 1sxe h GLY 165 Ca -0.46 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 1sxe h GLY 165 CO 0.61 0.00 -0.21 0.07 0.00 0.00 0.00 176.54 177.01 1sxe h LYS 166 N 0.00 0.00 0.00 4.80 2.10 -1.25 0.30 116.57 122.52 1sxe h LYS 166 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1sxe h LYS 166 Cb 0.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.45 1sxe h LYS 166 CO 0.00 0.21 -1.37 -1.91 -2.00 0.00 0.00 179.45 174.38 1sxe n GLU 167 N -3.50 0.47 0.07 0.07 2.13 0.94 -3.43 120.64 117.39 1sxe n GLU 167 Ca -0.01 -0.05 0.03 0.00 0.66 0.00 0.00 57.16 57.80 1sxe n GLU 167 Cb 0.38 -1.61 -0.04 0.00 0.27 0.00 0.00 31.44 30.43 1sxe n GLU 167 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1sxe h LEU 168 N 0.00 0.00 -1.49 4.31 5.85 -0.94 -3.24 115.31 119.80 1sxe h LEU 168 Ca 0.00 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1sxe h LEU 168 Cb 0.87 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 1sxe h LEU 168 CO 0.00 0.42 -0.26 0.00 -0.34 0.00 0.00 178.44 178.27 1sxe n LYS 170 N -4.16 3.99 -3.32 0.00 2.85 -1.22 -4.92 118.16 111.38 1sxe n LYS 170 Ca -0.02 -2.64 -0.38 0.00 -1.05 0.00 0.00 58.31 54.22 1sxe n LYS 170 Cb 0.31 -2.03 -0.06 0.00 -0.65 0.00 0.00 35.03 32.61 1sxe n LYS 170 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1sxe s MET 171 N -2.24 4.24 0.47 -1.58 -1.94 -1.04 -5.06 119.30 112.15 1sxe s MET 171 Ca 0.46 0.55 0.08 0.00 -1.71 0.00 0.00 55.69 55.07 1sxe s MET 171 Cb 0.33 -3.35 0.03 0.00 2.01 0.00 0.00 34.83 33.85 1sxe s MET 171 CO 0.17 0.36 0.57 0.95 -0.01 0.00 0.00 175.02 177.07 1sxe s THR 172 N -0.09 2.56 0.39 2.05 -4.23 -1.26 -4.98 115.64 110.08 1sxe s THR 172 Ca 0.27 -1.12 0.12 0.00 -1.18 0.00 0.00 61.69 59.78 1sxe s THR 172 Cb -0.17 -2.69 0.34 0.00 1.34 0.00 0.00 72.50 71.32 1sxe s THR 172 CO 0.14 0.00 1.90 0.50 -0.54 0.00 0.00 174.62 176.62 1sxe h LYS 173 N 0.61 0.55 -0.23 3.99 3.64 -1.98 -1.27 116.57 121.88 1sxe h LYS 173 Ca -0.37 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 58.88 1sxe h LYS 173 Cb 1.28 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 1sxe h LYS 173 CO 0.48 0.36 -0.25 -0.44 -2.27 0.00 0.00 179.45 177.33 1sxe h ASP 174 N 0.56 0.43 1.53 4.20 3.32 -1.98 -2.79 116.42 121.69 1sxe h ASP 174 Ca 0.40 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 57.25 1sxe h ASP 174 Cb 0.74 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 1sxe h ASP 174 CO -0.15 0.68 -0.26 -0.78 -1.72 0.00 0.00 179.24 177.00 1sxe h ASP 175 N 0.38 0.00 1.58 6.45 1.82 -1.61 -2.00 116.42 123.04 1sxe h ASP 175 Ca 0.06 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.61 1sxe h ASP 175 Cb 0.65 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.64 1sxe h ASP 175 CO 0.05 0.26 -0.42 -0.26 -1.61 0.00 0.00 179.24 177.26 1sxe h PHE 176 N 0.00 0.00 0.00 0.28 -1.00 -1.41 -3.19 116.94 111.62 1sxe h PHE 176 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1sxe h PHE 176 Cb 1.09 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.65 1sxe h PHE 176 CO 0.00 0.40 0.00 1.04 -1.61 0.00 0.00 178.31 178.14 1sxe n GLN 177 N -3.19 0.40 0.00 1.51 6.02 -0.76 0.76 117.38 122.12 1sxe n GLN 177 Ca 0.02 0.06 0.10 0.00 -0.01 0.00 0.00 57.00 57.18 1sxe n GLN 177 Cb 0.69 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 30.41 1sxe n GLN 177 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 1sxe n ARG 178 N -1.22 0.07 0.00 -1.09 1.85 -1.18 -3.72 116.66 111.37 1sxe n ARG 178 Ca 0.12 -0.06 0.00 0.00 -1.00 0.00 0.00 57.85 56.91 1sxe n ARG 178 Cb 0.15 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.06 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 -1.42 0.00 -3.12 2.89 4.77 -0.67 -4.93 117.00 114.52 1sxe n LEU 179 Ca 0.05 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.00 1sxe n LEU 179 Cb 0.34 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.41 1sxe n LEU 179 CO 0.41 0.00 0.06 -0.89 -1.33 0.00 0.00 177.39 175.63 1sxe s THR 180 N -1.71 -0.89 0.41 -5.08 2.01 0.23 -4.30 115.64 106.32 1sxe s THR 180 Ca 0.00 -0.43 -0.25 0.00 0.31 0.00 0.00 61.69 61.31 1sxe s THR 180 Cb 0.00 -0.11 -0.08 0.00 0.01 0.00 0.00 72.50 72.32 1sxe s THR 180 CO 0.00 -0.10 1.23 -2.84 -0.69 0.00 0.00 174.62 172.22 1sxe s PRO 181 N 1.51 3.97 1.12 4.92 0.02 -1.24 -3.98 135.00 141.32 1sxe s PRO 181 Ca 0.20 1.98 0.00 0.00 0.02 0.00 0.00 61.00 63.20 1sxe s PRO 181 Cb -0.04 -2.69 0.00 0.00 0.02 0.00 0.00 34.50 31.79 1sxe s PRO 181 CO -0.06 -0.43 0.00 0.45 -0.33 0.00 0.00 177.00 176.63 1sxe n SER 182 N 0.04 0.00 -4.96 2.53 2.88 -1.26 -4.79 113.62 108.06 1sxe n SER 182 Ca 0.04 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.36 1sxe n SER 182 Cb 0.45 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.91 1sxe n SER 182 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1sxe s TYR 183 N 0.00 3.31 0.00 0.66 1.13 -1.26 -4.26 117.35 116.93 1sxe s TYR 183 Ca 0.00 0.14 0.00 0.00 -1.41 0.00 0.00 57.07 55.80 1sxe s TYR 183 Cb 0.00 -2.04 0.00 0.00 -1.10 0.00 0.00 41.96 38.82 1sxe s TYR 183 CO 0.00 -0.05 0.00 0.09 -2.51 0.00 0.00 175.55 173.08 1sxe n ASN 184 N -1.82 0.00 0.01 -0.18 3.02 -1.26 -4.69 115.26 110.33 1sxe n ASN 184 Ca -0.02 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.43 1sxe n ASN 184 Cb 0.57 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.70 1sxe n ASN 184 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sxe h ALA 185 N 0.00 -0.02 -0.51 5.41 0.00 -1.74 -1.28 119.26 121.12 1sxe h ALA 185 Ca 0.00 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1sxe h ALA 185 Cb 0.00 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1sxe h ALA 185 CO 0.00 -0.55 -0.00 0.38 0.00 0.00 0.00 179.25 179.08 1sxe h ASP 186 N -0.11 0.89 -0.03 0.00 2.03 -1.84 -1.07 116.42 116.30 1sxe h ASP 186 Ca 0.06 -0.31 0.02 0.00 -0.73 0.00 0.00 57.03 56.08 1sxe h ASP 186 Cb 0.20 -0.24 -0.05 0.00 -0.83 0.00 0.00 39.33 38.40 1sxe h ASP 186 CO -0.15 0.98 -0.51 0.40 -1.03 0.00 0.00 179.24 178.93 1sxe h ILE 187 N 0.77 0.00 -0.77 4.15 2.04 -1.88 0.25 117.51 122.08 1sxe h ILE 187 Ca 0.14 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.04 1sxe h ILE 187 Cb 0.53 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.56 1sxe h ILE 187 CO 0.03 0.00 0.49 -0.07 0.00 0.00 0.00 178.15 178.59 1sxe h LEU 188 N -0.62 0.80 0.00 1.44 3.38 -1.20 -1.82 115.31 117.29 1sxe h LEU 188 Ca 0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1sxe h LEU 188 Cb 0.67 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1sxe h LEU 188 CO -0.35 0.54 -0.44 0.25 0.09 0.00 0.00 178.44 178.53 1sxe h LEU 189 N 0.94 0.00 0.00 1.67 5.85 -0.93 1.00 115.31 123.83 1sxe h LEU 189 Ca 0.31 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.03 1sxe h LEU 189 Cb 0.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.06 1sxe h LEU 189 CO -0.12 0.41 -0.49 -1.28 -0.34 0.00 0.00 178.44 176.63 1sxe h SER 190 N 0.00 0.00 0.44 1.25 0.87 -0.21 -2.76 113.55 113.14 1sxe h SER 190 Ca -0.01 -0.01 -0.31 0.00 -1.23 0.00 0.00 61.79 60.23 1sxe h SER 190 Cb 1.32 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.27 1sxe h SER 190 CO 0.05 0.01 -1.59 0.45 -0.53 0.00 0.00 176.83 175.22 1sxe h HIS 191 N 0.00 0.37 -0.50 2.24 3.86 -1.06 -3.25 115.15 116.80 1sxe h HIS 191 Ca 0.00 -0.27 -0.11 0.00 -1.16 0.00 0.00 60.37 58.83 1sxe h HIS 191 Cb 0.98 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.42 1sxe h HIS 191 CO 0.00 1.36 -0.13 1.25 0.86 0.00 0.00 177.93 181.27 1sxe h LEU 192 N 0.06 0.98 -0.76 2.43 5.85 -0.80 -2.50 115.31 120.58 1sxe h LEU 192 Ca -0.26 -0.36 0.01 0.00 0.84 0.00 0.00 57.88 58.10 1sxe h LEU 192 Cb 2.01 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 42.73 1sxe h LEU 192 CO 0.14 1.12 0.50 0.45 -0.34 0.00 0.00 178.44 180.31 1sxe h HIS 193 N 0.83 0.95 -0.23 1.25 3.86 -1.62 -0.24 115.15 119.94 1sxe h HIS 193 Ca 0.13 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.36 1sxe h HIS 193 Cb 0.69 -0.32 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 1sxe h HIS 193 CO 0.05 0.60 0.14 -0.92 0.86 0.00 0.00 177.93 178.66 1sxe h TYR 194 N 1.02 0.31 -0.38 2.45 3.20 -1.56 -1.96 116.97 120.06 1sxe h TYR 194 Ca 0.28 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.19 1sxe h TYR 194 Cb -0.12 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.01 1sxe h TYR 194 CO -0.02 0.24 0.12 -0.07 -1.64 0.00 0.00 178.16 176.79 1sxe h LEU 195 N 0.29 0.11 0.00 2.82 3.38 -1.03 -2.58 115.31 118.30 1sxe h LEU 195 Ca 0.08 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1sxe h LEU 195 Cb 0.02 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1sxe h LEU 195 CO -0.02 0.10 0.00 -1.14 0.09 0.00 0.00 178.44 177.47 1sxe n ARG 196 N -5.03 0.77 0.23 1.13 0.63 -0.14 -1.75 116.66 112.50 1sxe n ARG 196 Ca 0.02 0.00 0.09 0.00 -0.92 0.00 0.00 57.85 57.04 1sxe n ARG 196 Cb 0.14 -1.50 0.55 0.00 0.45 0.00 0.00 32.46 32.11 1sxe n ARG 196 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1sxe h GLU 197 N 0.00 0.00 -5.74 -0.14 4.81 -0.93 -3.41 114.58 109.17 1sxe h GLU 197 Ca 0.00 0.00 -0.66 0.00 -0.13 0.00 0.00 59.36 58.57 1sxe h GLU 197 Cb 0.09 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 29.34 1sxe h GLU 197 CO 0.00 0.22 -0.58 0.95 -0.73 0.00 0.00 179.01 178.88 1sxe s THR 198 N -4.07 4.69 0.34 0.32 -4.23 -0.72 -5.12 115.64 106.86 1sxe s THR 198 Ca -0.02 -0.10 0.03 0.00 -1.18 0.00 0.00 61.69 60.42 1sxe s THR 198 Cb 0.13 -3.02 -0.02 0.00 1.34 0.00 0.00 72.50 70.93 1sxe s THR 198 CO 0.64 0.58 0.52 -2.16 -0.54 0.00 0.00 174.62 173.66 1sxe s PRO 199 N -0.66 3.30 -0.36 3.99 0.04 -1.26 -3.04 135.00 137.01 1sxe s PRO 199 Ca 0.11 -0.61 -0.29 0.00 0.04 0.00 0.00 61.00 60.26 1sxe s PRO 199 Cb -0.12 -2.72 0.01 0.00 0.04 0.00 0.00 34.50 31.70 1sxe s PRO 199 CO 0.02 0.10 1.35 -1.17 0.04 0.00 0.00 177.00 177.35 1sxe s LEU 200 N -4.26 3.72 0.00 -3.56 1.98 -1.26 -4.58 118.68 110.72 1sxe s LEU 200 Ca 0.41 0.99 0.15 0.00 -2.89 0.00 0.00 54.13 52.80 1sxe s LEU 200 Cb -0.10 -3.54 0.90 0.00 0.66 0.00 0.00 46.19 44.11 1sxe s LEU 200 CO 0.34 -1.27 1.31 -0.81 -1.89 0.00 0.00 176.35 174.03