#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 1.83 -0.26 1.61 0.01 -1.26 -4.95 113.70 110.68 1sxe s SER 106 Ca 0.00 -0.28 0.18 0.00 1.31 0.00 0.00 55.95 57.17 1sxe s SER 106 Cb 0.00 -0.79 0.49 0.00 0.21 0.00 0.00 66.02 65.94 1sxe s SER 106 CO 0.00 -0.03 1.14 0.00 0.41 0.00 0.00 173.24 174.75 1sxe n HIS 107 N 4.25 1.60 0.25 2.43 1.44 -1.26 -4.82 115.22 119.12 1sxe n HIS 107 Ca -0.19 -2.08 0.05 0.00 -2.01 0.00 0.00 57.72 53.48 1sxe n HIS 107 Cb 0.51 -0.26 -0.07 0.00 0.12 0.00 0.00 29.99 30.29 1sxe n HIS 107 CO 0.00 0.00 0.00 -0.12 -2.81 0.00 0.00 176.34 173.41 1sxe n MET 108 N -0.60 2.07 -2.10 -1.40 0.00 -1.26 -4.91 117.12 108.93 1sxe n MET 108 Ca 0.18 -0.05 -0.30 0.00 -0.00 0.00 0.00 57.70 57.53 1sxe n MET 108 Cb 0.86 -1.11 -0.04 0.00 0.00 0.00 0.00 33.22 32.93 1sxe n MET 108 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 175.97 174.14 1sxe s GLU 109 N -2.32 2.67 0.00 2.12 1.03 -1.26 -4.94 118.70 116.00 1sxe s GLU 109 Ca 0.00 -0.22 0.00 0.00 0.03 0.00 0.00 54.97 54.78 1sxe s GLU 109 Cb 0.07 -4.97 0.00 0.00 -0.80 0.00 0.00 34.13 28.44 1sxe s GLU 109 CO 0.43 -3.15 0.00 0.39 -1.33 0.00 0.00 175.26 171.60 1sxe n GLU 110 N 8.92 2.06 -0.72 -4.83 1.02 -1.26 -5.02 120.64 120.81 1sxe n GLU 110 Ca 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 1sxe n GLU 110 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.90 1sxe n GLU 110 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1sxe n LYS 111 N -0.08 -2.06 -2.02 3.49 3.00 -1.26 -4.66 118.16 114.57 1sxe n LYS 111 Ca 0.00 1.52 -0.26 0.00 -0.00 0.00 0.00 58.31 59.56 1sxe n LYS 111 Cb 0.00 -1.69 -0.06 0.00 0.00 0.00 0.00 35.03 33.28 1sxe n LYS 111 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 1sxe s HIS 112 N -2.23 1.81 0.09 5.64 3.76 -1.26 -4.92 115.29 118.18 1sxe s HIS 112 Ca 0.00 0.68 -0.31 0.00 -0.15 0.00 0.00 55.06 55.28 1sxe s HIS 112 Cb 0.00 -3.99 -0.08 0.00 1.11 0.00 0.00 32.58 29.62 1sxe s HIS 112 CO 0.00 -1.54 1.49 -1.64 -0.85 0.00 0.00 174.74 172.20 1sxe s MET 113 N 6.96 4.26 0.14 1.40 1.00 -1.26 -4.96 119.30 126.84 1sxe s MET 113 Ca 0.71 2.17 -0.31 0.00 0.00 0.00 0.00 55.69 58.26 1sxe s MET 113 Cb -0.05 -3.39 -0.10 0.00 0.00 0.00 0.00 34.83 31.29 1sxe s MET 113 CO 0.04 -0.58 1.70 -2.14 0.00 0.00 0.00 175.02 174.05 1sxe s PRO 114 N 1.79 4.17 0.30 2.03 0.02 -1.26 -4.94 135.00 137.10 1sxe s PRO 114 Ca 0.68 2.47 -0.29 0.00 0.02 0.00 0.00 61.00 63.88 1sxe s PRO 114 Cb -0.38 -3.39 -0.13 0.00 0.02 0.00 0.00 34.50 30.62 1sxe s PRO 114 CO 0.30 -0.74 1.17 -2.30 -0.33 0.00 0.00 177.00 175.10 1sxe n PRO 115 N 4.91 1.72 -1.70 5.54 -0.02 -1.26 -4.77 135.00 139.43 1sxe n PRO 115 Ca 0.16 0.60 -0.43 0.00 -2.02 0.00 0.00 63.50 61.81 1sxe n PRO 115 Cb 0.38 -2.09 -0.03 0.00 -0.02 0.00 0.00 33.50 31.74 1sxe n PRO 115 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1sxe n PRO 116 N 0.85 2.70 -1.21 0.52 -0.04 -1.26 -4.89 135.00 131.67 1sxe n PRO 116 Ca 0.08 0.98 -0.29 0.00 -0.04 0.00 0.00 63.50 64.23 1sxe n PRO 116 Cb 0.33 -2.84 0.10 0.00 -0.04 0.00 0.00 33.50 31.04 1sxe n PRO 116 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1sxe n ASN 117 N 4.95 6.48 -4.40 3.54 3.02 -1.26 -4.89 115.26 122.69 1sxe n ASN 117 Ca 0.17 -3.60 -0.45 0.00 -0.03 0.00 0.00 54.58 50.67 1sxe n ASN 117 Cb 0.35 -0.94 -0.01 0.00 -0.61 0.00 0.00 39.78 38.57 1sxe n ASN 117 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1sxe s MET 118 N -3.33 3.87 0.00 3.52 -1.94 -1.26 -4.69 119.30 115.46 1sxe s MET 118 Ca 0.57 -2.46 0.26 0.00 -1.71 0.00 0.00 55.69 52.35 1sxe s MET 118 Cb 0.45 -4.78 0.69 0.00 2.01 0.00 0.00 34.83 33.21 1sxe s MET 118 CO 0.02 -1.55 1.54 -2.37 -0.01 0.00 0.00 175.02 172.64 1sxe n THR 119 N 4.31 0.00 -2.60 2.05 5.66 -1.26 -4.18 114.28 118.26 1sxe n THR 119 Ca 0.25 -0.04 -0.12 0.00 -3.05 0.00 0.00 64.05 61.10 1sxe n THR 119 Cb 0.45 0.19 0.03 0.00 -1.55 0.00 0.00 70.33 69.45 1sxe n THR 119 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1sxe n THR 120 N -1.24 1.52 0.05 1.09 -1.04 -1.26 -4.86 114.28 108.53 1sxe n THR 120 Ca 0.08 -3.50 -0.09 0.00 -2.04 0.00 0.00 64.05 58.50 1sxe n THR 120 Cb 0.33 0.28 -0.13 0.00 -1.82 0.00 0.00 70.33 68.99 1sxe n THR 120 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1sxe h ASN 121 N 2.70 0.09 0.00 8.00 7.08 -1.73 -3.08 115.58 128.64 1sxe h ASN 121 Ca 0.02 -0.11 0.00 0.00 -3.08 0.00 0.00 56.30 53.13 1sxe h ASN 121 Cb 1.21 -0.03 0.00 0.00 -2.08 0.00 0.00 38.32 37.42 1sxe h ASN 121 CO 0.50 1.09 0.00 1.21 -2.08 0.00 0.00 177.43 178.15 1sxe n GLU 122 N -3.32 0.00 -1.24 4.14 0.00 -1.26 -1.92 120.64 117.05 1sxe n GLU 122 Ca -0.06 0.00 -0.18 0.00 0.00 0.00 0.00 57.16 56.91 1sxe n GLU 122 Cb 0.98 0.00 0.13 0.00 0.00 0.00 0.00 31.44 32.56 1sxe n GLU 122 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1sxe n ARG 123 N 10.77 2.44 0.00 5.31 1.74 -1.26 -4.60 116.66 131.06 1sxe n ARG 123 Ca 0.00 -3.38 0.00 0.00 -0.77 0.00 0.00 57.85 53.70 1sxe n ARG 123 Cb 0.00 -2.07 0.00 0.00 -1.02 0.00 0.00 32.46 29.37 1sxe n ARG 123 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1sxe n ARG 124 N -1.01 0.00 -1.44 5.56 3.00 -0.81 -4.85 116.66 117.12 1sxe n ARG 124 Ca 0.47 0.00 0.04 0.00 -0.01 0.00 0.00 57.85 58.35 1sxe n ARG 124 Cb 1.05 -0.14 0.04 0.00 0.00 0.00 0.00 32.46 33.41 1sxe n ARG 124 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1sxe n VAL 125 N 0.00 0.26 -1.69 1.55 0.31 -1.26 -4.91 118.33 112.59 1sxe n VAL 125 Ca 0.00 -1.28 -0.12 0.00 -0.01 0.00 0.00 64.34 62.92 1sxe n VAL 125 Cb 0.00 0.88 -0.04 0.00 -0.91 0.00 0.00 33.84 33.77 1sxe n VAL 125 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1sxe n ILE 126 N 0.31 -0.23 -3.89 2.52 2.08 -1.25 -4.83 119.36 114.08 1sxe n ILE 126 Ca 0.07 0.00 -0.10 0.00 0.56 0.00 0.00 62.75 63.29 1sxe n ILE 126 Cb 1.09 -1.62 -0.09 0.00 -0.75 0.00 0.00 39.64 38.28 1sxe n ILE 126 CO 0.00 0.00 0.00 0.68 0.56 0.00 0.00 176.55 177.79 1sxe s VAL 127 N -2.53 0.12 0.43 1.39 -7.23 -1.24 -4.83 120.40 106.52 1sxe s VAL 127 Ca 0.00 -1.01 -0.19 0.00 -1.81 0.00 0.00 61.98 58.98 1sxe s VAL 127 Cb 0.00 -0.93 -0.10 0.00 0.56 0.00 0.00 36.38 35.91 1sxe s VAL 127 CO 0.00 -0.56 0.92 -2.16 -0.31 0.00 0.00 175.10 172.99 1sxe s PRO 128 N -2.67 4.11 0.34 4.82 0.04 -1.16 -4.21 135.00 136.26 1sxe s PRO 128 Ca -0.04 0.98 0.12 0.00 0.04 0.00 0.00 61.00 62.10 1sxe s PRO 128 Cb -0.01 -2.22 0.67 0.00 0.04 0.00 0.00 34.50 32.98 1sxe s PRO 128 CO -0.05 -0.06 1.26 0.00 0.04 0.00 0.00 177.00 178.20 1sxe h ALA 129 N 1.70 1.25 -1.82 8.56 0.00 -1.84 -3.36 119.26 123.75 1sxe h ALA 129 Ca -0.48 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 53.85 1sxe h ALA 129 Cb 1.18 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.89 1sxe h ALA 129 CO 0.62 -0.25 0.81 0.34 0.00 0.00 0.00 179.25 180.77 1sxe s ASP 130 N -3.35 6.63 -0.10 0.00 -1.08 -1.26 -0.92 116.67 116.59 1sxe s ASP 130 Ca -0.01 0.44 0.02 0.00 -0.52 0.00 0.00 52.55 52.48 1sxe s ASP 130 Cb 0.04 -2.52 0.18 0.00 -1.46 0.00 0.00 42.92 39.16 1sxe s ASP 130 CO 0.11 -1.14 1.09 -2.65 0.52 0.00 0.00 175.17 173.11 1sxe n PRO 131 N 7.49 1.54 -0.12 4.34 -0.02 -1.26 -3.80 135.00 143.18 1sxe n PRO 131 Ca 0.10 -0.77 -0.16 0.00 -2.02 0.00 0.00 63.50 60.65 1sxe n PRO 131 Cb 0.49 -1.43 -0.12 0.00 -0.02 0.00 0.00 33.50 32.42 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 0.11 1.37 0.26 3.45 -2.24 -1.26 -4.08 114.28 111.89 1sxe n THR 132 Ca 0.12 -0.57 0.11 0.00 -2.27 0.00 0.00 64.05 61.44 1sxe n THR 132 Cb 0.70 -1.22 0.71 0.00 -2.10 0.00 0.00 70.33 68.41 1sxe n THR 132 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1sxe h LEU 133 N 0.00 0.00 -9.69 3.22 3.38 -1.86 -2.06 115.31 108.31 1sxe h LEU 133 Ca -0.53 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 56.87 1sxe h LEU 133 Cb 1.89 0.00 0.09 0.00 0.09 0.00 0.00 40.66 42.72 1sxe h LEU 133 CO -0.07 0.09 0.71 0.79 0.09 0.00 0.00 178.44 180.05 1sxe n TRP 134 N -4.03 2.45 -2.05 1.13 8.01 -1.26 -4.26 117.44 117.43 1sxe n TRP 134 Ca -0.03 0.38 -0.29 0.00 -1.31 0.00 0.00 57.50 56.25 1sxe n TRP 134 Cb 0.17 -2.51 0.04 0.00 -2.01 0.00 0.00 31.31 27.01 1sxe n TRP 134 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.69 175.56 1sxe s SER 135 N 0.30 5.42 0.22 -0.99 0.01 -1.26 0.10 113.70 117.50 1sxe s SER 135 Ca 0.65 0.96 -0.02 0.00 1.31 0.00 0.00 55.95 58.85 1sxe s SER 135 Cb -0.58 -1.80 0.46 0.00 0.21 0.00 0.00 66.02 64.31 1sxe s SER 135 CO 0.51 -1.30 1.15 0.35 0.41 0.00 0.00 173.24 174.36 1sxe n THR 136 N -2.89 -0.31 0.05 1.44 -2.24 -1.26 -0.05 114.28 109.01 1sxe n THR 136 Ca 0.06 1.65 -0.07 0.00 -2.27 0.00 0.00 64.05 63.43 1sxe n THR 136 Cb 0.58 -2.35 -0.11 0.00 -2.10 0.00 0.00 70.33 66.34 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 0.00 0.87 3.42 2.03 -1.84 -3.11 116.42 117.80 1sxe h ASP 137 Ca 0.40 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.70 1sxe h ASP 137 Cb 0.74 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.24 1sxe h ASP 137 CO -0.72 0.96 0.00 1.41 -1.03 0.00 0.00 179.24 179.86 1sxe n HIS 138 N -3.28 0.47 0.02 4.15 8.25 0.92 -0.73 115.22 125.03 1sxe n HIS 138 Ca -0.03 0.16 -0.20 0.00 -0.26 0.00 0.00 57.72 57.39 1sxe n HIS 138 Cb 0.95 -0.76 -0.14 0.00 1.12 0.00 0.00 29.99 31.15 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 0.76 0.00 1.59 2.07 -1.02 -3.11 116.25 116.55 1sxe h VAL 139 Ca 0.00 -2.46 -0.08 0.00 0.82 0.00 0.00 66.70 64.98 1sxe h VAL 139 Cb 0.44 2.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.78 1sxe h VAL 139 CO 0.00 0.85 -0.39 -0.09 0.02 0.00 0.00 177.57 177.95 1sxe h ARG 140 N 0.07 0.00 0.41 1.57 1.12 -1.48 -1.44 114.38 114.63 1sxe h ARG 140 Ca -0.38 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.47 1sxe h ARG 140 Cb 2.05 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 32.01 1sxe h ARG 140 CO 0.12 0.39 -0.20 0.37 -3.11 0.00 0.00 179.97 177.54 1sxe h GLN 141 N 0.00 -0.53 -0.22 0.20 4.15 -0.94 0.22 115.11 117.98 1sxe h GLN 141 Ca -0.00 0.04 0.05 0.00 0.77 0.00 0.00 58.65 59.50 1sxe h GLN 141 Cb 0.72 0.12 -0.05 0.00 0.21 0.00 0.00 27.48 28.48 1sxe h GLN 141 CO 0.05 -0.35 -0.11 2.35 -1.93 0.00 0.00 178.83 178.83 1sxe h TRP 142 N -0.59 -0.27 -1.06 3.99 7.01 -1.57 -0.46 115.95 123.00 1sxe h TRP 142 Ca -0.06 0.03 0.31 0.00 2.11 0.00 0.00 58.89 61.28 1sxe h TRP 142 Cb 0.42 0.16 -0.13 0.00 -2.10 0.00 0.00 29.16 27.51 1sxe h TRP 142 CO 0.12 -0.17 0.65 1.25 -2.79 0.00 0.00 178.44 177.49 1sxe h LEU 143 N -0.09 0.49 0.33 0.65 5.85 -1.21 1.43 115.31 122.76 1sxe h LEU 143 Ca 0.12 0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.97 1sxe h LEU 143 Cb 0.27 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1sxe h LEU 143 CO -0.28 -0.03 -0.16 -0.33 -0.34 0.00 0.00 178.44 177.30 1sxe h GLU 144 N 0.37 -0.43 0.00 1.25 5.08 0.60 -1.98 114.58 119.46 1sxe h GLU 144 Ca 0.69 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 59.08 1sxe h GLU 144 Cb 1.66 0.10 0.00 0.00 0.50 0.00 0.00 28.75 31.01 1sxe h GLU 144 CO -0.46 -0.13 0.09 1.87 -1.00 0.00 0.00 179.01 179.37 1sxe n TRP 145 N -5.09 0.01 -0.08 4.33 -0.00 -0.02 -0.50 117.44 116.08 1sxe n TRP 145 Ca -0.08 0.01 -0.10 0.00 -0.00 0.00 0.00 57.50 57.33 1sxe n TRP 145 Cb 0.26 -0.43 -0.04 0.00 -0.00 0.00 0.00 31.31 31.10 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 -1.42 0.65 -0.34 5.87 0.00 0.47 -1.79 120.51 123.95 1sxe n ALA 146 Ca -0.00 -0.57 0.23 0.00 0.00 0.00 0.00 53.44 53.10 1sxe n ALA 146 Cb 0.09 -0.06 0.49 0.00 0.00 0.00 0.00 19.45 19.96 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 0.50 -0.14 0.00 2.07 -0.97 0.46 116.25 117.17 1sxe h VAL 147 Ca -0.10 -0.14 -0.18 0.00 0.82 0.00 0.00 66.70 67.10 1sxe h VAL 147 Cb 0.82 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1sxe h VAL 147 CO -0.06 0.07 -0.64 0.11 0.02 0.00 0.00 177.57 177.07 1sxe h LYS 148 N 0.41 0.51 0.00 1.57 1.79 -0.88 -2.47 116.57 117.50 1sxe h LYS 148 Ca 0.62 -0.37 -0.13 0.00 -2.18 0.00 0.00 60.65 58.60 1sxe h LYS 148 Cb 1.52 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 32.21 1sxe h LYS 148 CO -0.35 0.99 -1.27 1.49 -1.08 0.00 0.00 179.45 179.23 1sxe h GLU 149 N 0.37 0.00 -0.00 3.15 4.57 -0.23 -3.39 114.58 119.04 1sxe h GLU 149 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1sxe h GLU 149 Cb 1.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 1sxe h GLU 149 CO 0.12 0.23 -0.47 0.66 -1.18 0.00 0.00 179.01 178.37 1sxe n TYR 150 N -2.86 0.00 -2.15 0.92 4.01 0.14 -5.00 117.16 112.23 1sxe n TYR 150 Ca -0.07 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.62 1sxe n TYR 150 Cb 0.77 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.82 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 1.20 0.27 3.43 2.72 0.00 -0.96 -5.02 105.19 106.83 1sxe n GLY 151 Ca 0.04 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.60 4.73 -0.14 0.99 1.43 -1.02 -4.95 118.68 116.13 1sxe s LEU 152 Ca 0.10 -0.82 -0.23 0.00 -1.03 0.00 0.00 54.13 52.15 1sxe s LEU 152 Cb -0.01 -2.08 -0.25 0.00 0.03 0.00 0.00 46.19 43.87 1sxe s LEU 152 CO 0.22 -0.36 0.58 1.55 0.23 0.00 0.00 176.35 178.58 1sxe h PRO 153 N 8.49 0.11 0.00 1.29 0.14 -1.95 -3.38 132.00 136.70 1sxe h PRO 153 Ca -0.28 -0.18 0.00 0.00 0.14 0.00 0.00 66.00 65.68 1sxe h PRO 153 Cb 1.12 0.07 0.00 0.00 0.14 0.00 0.00 31.00 32.33 1sxe h PRO 153 CO 0.68 1.09 0.00 -0.25 0.14 0.00 0.00 178.00 179.65 1sxe n ASP 154 N -4.31 0.00 -4.58 1.44 9.92 -1.26 -4.69 116.55 113.07 1sxe n ASP 154 Ca -0.20 -0.95 -0.42 0.00 -0.53 0.00 0.00 54.79 52.68 1sxe n ASP 154 Cb 0.69 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 41.12 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 -2.00 4.75 -0.65 2.53 1.01 -1.26 -4.58 120.40 120.21 1sxe s VAL 155 Ca 0.32 0.84 -0.16 0.00 0.00 0.00 0.00 61.98 62.98 1sxe s VAL 155 Cb 0.15 -4.19 0.15 0.00 0.00 0.00 0.00 36.38 32.48 1sxe s VAL 155 CO 0.25 -0.42 0.65 0.21 0.00 0.00 0.00 175.10 175.79 1sxe s ASN 156 N 1.83 6.35 0.16 3.32 3.04 -1.26 -4.94 114.94 123.44 1sxe s ASN 156 Ca 0.30 -1.94 -0.11 0.00 0.04 0.00 0.00 52.86 51.16 1sxe s ASN 156 Cb -0.13 -2.24 0.00 0.00 -1.54 0.00 0.00 41.25 37.34 1sxe s ASN 156 CO 0.17 -0.87 1.55 0.40 -3.04 0.00 0.00 177.10 175.31 1sxe h ILE 157 N 5.62 1.27 0.00 -5.21 2.04 -1.95 -2.78 117.51 116.50 1sxe h ILE 157 Ca -0.17 -1.36 0.00 0.00 1.00 0.00 0.00 64.86 64.33 1sxe h ILE 157 Cb 1.08 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.28 1sxe h ILE 157 CO 0.99 0.47 0.00 0.00 0.00 0.00 0.00 178.15 179.61 1sxe n LEU 158 N -4.14 0.00 -0.03 1.44 -0.00 -1.26 -1.10 117.00 111.90 1sxe n LEU 158 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1sxe n LEU 158 Cb 0.45 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.73 1sxe n LEU 158 CO 0.46 0.00 -0.79 0.18 -0.00 0.00 0.00 177.39 177.24 1sxe n LEU 159 N -0.35 0.22 -1.00 1.47 4.32 -1.05 -4.24 117.00 116.36 1sxe n LEU 159 Ca 0.00 0.09 0.10 0.00 -0.02 0.00 0.00 56.01 56.18 1sxe n LEU 159 Cb 0.00 0.21 0.26 0.00 -1.62 0.00 0.00 43.42 42.27 1sxe n LEU 159 CO 0.00 0.23 0.72 0.49 -1.22 0.00 0.00 177.39 177.61 1sxe n PHE 160 N -2.61 0.64 0.27 -1.77 3.01 -0.26 -4.41 117.46 112.33 1sxe n PHE 160 Ca -0.17 -0.32 0.11 0.00 1.01 0.00 0.00 57.45 58.08 1sxe n PHE 160 Cb 0.87 0.00 0.73 0.00 -0.01 0.00 0.00 39.48 41.06 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 3.38 0.00 -0.45 -1.08 1.08 -1.74 -0.80 115.11 115.50 1sxe h GLN 161 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1sxe h GLN 161 Cb 0.76 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.19 1sxe h GLN 161 CO 0.00 0.07 0.00 0.09 -0.95 0.00 0.00 178.83 178.04 1sxe n ASN 162 N -4.04 3.42 -4.57 1.46 5.03 -1.26 -4.38 115.26 110.93 1sxe n ASN 162 Ca -0.03 -2.14 -0.36 0.00 0.87 0.00 0.00 54.58 52.92 1sxe n ASN 162 Cb 0.16 -0.35 -0.11 0.00 -1.02 0.00 0.00 39.78 38.46 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 -1.25 4.91 0.75 2.41 1.01 -0.31 -4.93 121.20 123.80 1sxe s ILE 163 Ca 0.33 0.03 -0.05 0.00 0.00 0.00 0.00 60.65 60.96 1sxe s ILE 163 Cb 0.19 -3.29 0.12 0.00 0.01 0.00 0.00 42.46 39.49 1sxe s ILE 163 CO 0.20 0.34 1.05 -1.81 0.00 0.00 0.00 174.94 174.72 1sxe s ASP 164 N 1.27 4.25 0.52 3.58 1.11 -1.26 -4.15 116.67 122.00 1sxe s ASP 164 Ca 0.06 -0.05 0.24 0.00 0.18 0.00 0.00 52.55 52.98 1sxe s ASP 164 Cb -0.14 -0.35 1.43 0.00 1.07 0.00 0.00 42.92 44.93 1sxe s ASP 164 CO 0.05 -1.94 2.11 1.23 1.18 0.00 0.00 175.17 177.80 1sxe h GLY 165 N -0.72 0.00 2.00 0.21 0.00 0.62 0.11 103.07 105.29 1sxe h GLY 165 Ca -0.40 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.86 1sxe h GLY 165 CO 0.44 0.00 -0.35 0.07 0.00 0.00 0.00 176.54 176.70 1sxe h LYS 166 N 0.00 0.00 0.00 4.80 5.09 -1.56 0.15 116.57 125.04 1sxe h LYS 166 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 60.65 60.63 1sxe h LYS 166 Cb 0.22 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.53 1sxe h LYS 166 CO 0.01 0.35 -1.85 -1.91 -2.09 0.00 0.00 179.45 173.96 1sxe n GLU 167 N -3.89 0.65 -0.01 0.07 4.07 -0.23 -3.88 120.64 117.42 1sxe n GLU 167 Ca -0.01 -0.04 -0.14 0.00 -0.06 0.00 0.00 57.16 56.90 1sxe n GLU 167 Cb 0.42 -1.61 -0.14 0.00 -0.06 0.00 0.00 31.44 30.04 1sxe n GLU 167 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1sxe n LEU 168 N -2.54 1.68 -0.01 4.31 7.94 0.20 -3.46 117.00 125.12 1sxe n LEU 168 Ca -0.11 0.30 0.14 0.00 -1.11 0.00 0.00 56.01 55.23 1sxe n LEU 168 Cb 0.75 -0.42 0.70 0.00 0.53 0.00 0.00 43.42 44.98 1sxe n LEU 168 CO 0.44 0.61 0.98 0.00 -1.11 0.00 0.00 177.39 178.31 1sxe n LYS 170 N -1.35 2.44 -3.30 0.00 5.02 -1.25 -4.97 118.16 114.76 1sxe n LYS 170 Ca 0.12 -3.07 -0.38 0.00 -2.02 0.00 0.00 58.31 52.96 1sxe n LYS 170 Cb 0.28 -1.94 -0.06 0.00 -0.02 0.00 0.00 35.03 33.28 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 -3.12 4.15 0.41 1.97 -1.94 -0.89 -4.99 119.30 114.88 1sxe s MET 171 Ca 0.48 0.68 0.03 0.00 -1.71 0.00 0.00 55.69 55.17 1sxe s MET 171 Cb 0.41 -3.19 -0.00 0.00 2.01 0.00 0.00 34.83 34.06 1sxe s MET 171 CO 0.06 0.62 0.59 0.95 -0.01 0.00 0.00 175.02 177.23 1sxe s THR 172 N -1.17 3.91 -1.47 2.05 -4.23 -1.26 -4.96 115.64 108.52 1sxe s THR 172 Ca 0.30 -0.73 0.09 0.00 -1.18 0.00 0.00 61.69 60.17 1sxe s THR 172 Cb -0.19 -3.41 0.17 0.00 1.34 0.00 0.00 72.50 70.42 1sxe s THR 172 CO 0.19 -0.23 1.16 2.29 -0.54 0.00 0.00 174.62 177.49 1sxe n LYS 173 N -1.91 0.14 -0.08 3.99 0.00 -1.26 -1.81 118.16 117.23 1sxe n LYS 173 Ca 0.01 0.19 -0.12 0.00 -0.00 0.00 0.00 58.31 58.39 1sxe n LYS 173 Cb 0.58 -1.50 -0.15 0.00 -0.00 0.00 0.00 35.03 33.96 1sxe n LYS 173 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1sxe n ASP 174 N -1.27 0.73 0.14 -5.58 2.03 -1.26 -4.10 116.55 107.24 1sxe n ASP 174 Ca 0.05 0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.43 1sxe n ASP 174 Cb 0.07 0.36 0.17 0.00 -0.72 0.00 0.00 41.12 41.01 1sxe n ASP 174 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1sxe h ASP 175 N 0.01 0.00 0.98 1.67 1.82 -1.74 -2.51 116.42 116.64 1sxe h ASP 175 Ca -0.49 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.07 1sxe h ASP 175 Cb 2.12 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 42.12 1sxe h ASP 175 CO 0.02 0.58 -0.36 -0.26 -1.61 0.00 0.00 179.24 177.62 1sxe h PHE 176 N 0.00 0.00 0.00 0.28 -1.00 -1.71 -3.15 116.94 111.36 1sxe h PHE 176 Ca -0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.77 1sxe h PHE 176 Cb 1.14 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.70 1sxe h PHE 176 CO 0.00 0.36 0.00 1.04 -1.61 0.00 0.00 178.31 178.10 1sxe n GLN 177 N -3.44 0.28 0.00 1.51 6.02 -0.95 0.12 117.38 120.92 1sxe n GLN 177 Ca 0.00 0.11 0.11 0.00 -0.01 0.00 0.00 57.00 57.22 1sxe n GLN 177 Cb 0.53 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 30.32 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 -1.23 1.60 0.00 -1.09 1.85 -1.19 -4.15 116.66 112.45 1sxe n ARG 178 Ca 0.08 -1.30 0.00 0.00 -1.00 0.00 0.00 57.85 55.63 1sxe n ARG 178 Cb 0.11 -1.45 0.00 0.00 -1.05 0.00 0.00 32.46 30.07 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 0.44 0.00 -3.15 2.89 4.77 -0.20 -5.02 117.00 116.72 1sxe n LEU 179 Ca 0.11 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.13 1sxe n LEU 179 Cb 0.50 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.58 1sxe n LEU 179 CO 0.23 0.00 0.22 -0.89 -1.33 0.00 0.00 177.39 175.62 1sxe s THR 180 N -1.62 -0.90 0.81 -5.08 2.01 0.33 -4.28 115.64 106.91 1sxe s THR 180 Ca 0.00 0.00 -0.14 0.00 0.31 0.00 0.00 61.69 61.86 1sxe s THR 180 Cb 0.00 -1.00 0.20 0.00 0.01 0.00 0.00 72.50 71.71 1sxe s THR 180 CO 0.00 0.00 0.71 -0.81 -0.69 0.00 0.00 174.62 173.83 1sxe n PRO 181 N 5.44 -2.44 -1.54 4.92 -0.04 -1.26 -3.16 135.00 136.92 1sxe n PRO 181 Ca -0.02 -1.14 -0.33 0.00 -0.04 0.00 0.00 63.50 61.97 1sxe n PRO 181 Cb 0.51 -1.08 -0.07 0.00 -0.04 0.00 0.00 33.50 32.83 1sxe n PRO 181 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1sxe n SER 182 N -4.24 1.68 0.00 3.54 7.64 -1.26 -3.09 113.62 117.89 1sxe n SER 182 Ca 0.10 -0.51 0.00 0.00 1.01 0.00 0.00 58.87 59.47 1sxe n SER 182 Cb 0.39 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.17 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 14.81 0.00 -0.01 1.43 9.36 -1.26 -4.93 117.16 136.56 1sxe n TYR 183 Ca 0.46 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.77 1sxe n TYR 183 Cb 0.41 0.00 -0.17 0.00 -0.63 0.00 0.00 39.34 38.96 1sxe n TYR 183 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1sxe n ASN 184 N 0.00 0.13 -0.02 2.98 3.02 -1.18 -3.90 115.26 116.29 1sxe n ASN 184 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.46 1sxe n ASN 184 Cb 0.00 1.94 -0.02 0.00 -0.61 0.00 0.00 39.78 41.08 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 1.91 -0.03 0.14 5.41 0.00 -1.69 -0.32 119.26 124.68 1sxe h ALA 185 Ca -0.02 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1sxe h ALA 185 Cb 1.02 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1sxe h ALA 185 CO 0.00 -0.59 -0.10 -0.44 0.00 0.00 0.00 179.25 178.12 1sxe h ASP 186 N -0.16 -0.27 -0.10 0.00 5.19 -1.84 -0.79 116.42 118.45 1sxe h ASP 186 Ca 0.11 0.02 0.02 0.00 -0.62 0.00 0.00 57.03 56.56 1sxe h ASP 186 Cb 0.33 0.09 -0.04 0.00 0.18 0.00 0.00 39.33 39.89 1sxe h ASP 186 CO -0.28 -0.17 -0.29 0.40 -3.12 0.00 0.00 179.24 175.79 1sxe h ILE 187 N -0.25 0.00 -0.21 0.35 2.04 -1.60 -0.49 117.51 117.36 1sxe h ILE 187 Ca -0.01 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 1sxe h ILE 187 Cb 0.22 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.25 1sxe h ILE 187 CO -0.01 0.00 -0.16 -0.07 0.00 0.00 0.00 178.15 177.91 1sxe h LEU 188 N -0.29 -0.51 -0.06 1.44 3.38 -1.03 -1.19 115.31 117.05 1sxe h LEU 188 Ca 0.02 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1sxe h LEU 188 Cb 0.35 0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 1sxe h LEU 188 CO -0.25 -0.20 0.02 0.25 0.09 0.00 0.00 178.44 178.35 1sxe h LEU 189 N -0.16 0.08 -1.76 1.67 5.85 -1.03 0.14 115.31 120.10 1sxe h LEU 189 Ca 0.12 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.72 1sxe h LEU 189 Cb 0.34 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1sxe h LEU 189 CO -0.30 0.21 0.24 0.28 -0.34 0.00 0.00 178.44 178.53 1sxe h SER 190 N -0.06 0.27 -0.15 1.25 0.02 -0.92 0.12 113.55 114.08 1sxe h SER 190 Ca 0.02 -0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.81 1sxe h SER 190 Cb 0.16 -0.06 0.01 0.00 0.14 0.00 0.00 62.40 62.64 1sxe h SER 190 CO -0.00 0.18 -0.52 0.45 -1.14 0.00 0.00 176.83 175.81 1sxe h HIS 191 N 0.31 0.80 -0.51 3.45 3.86 -0.41 -2.78 115.15 119.87 1sxe h HIS 191 Ca 0.15 -0.33 -0.05 0.00 -1.16 0.00 0.00 60.37 58.98 1sxe h HIS 191 Cb 0.21 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 1sxe h HIS 191 CO -0.00 1.11 0.11 1.25 0.86 0.00 0.00 177.93 181.27 1sxe h LEU 192 N 0.26 0.77 -0.07 2.43 5.85 0.09 0.30 115.31 124.95 1sxe h LEU 192 Ca -0.02 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1sxe h LEU 192 Cb 1.14 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.97 1sxe h LEU 192 CO 0.11 0.81 0.00 1.41 -0.34 0.00 0.00 178.44 180.43 1sxe n HIS 193 N -4.44 0.11 -0.10 1.25 8.25 -0.05 -2.47 115.22 117.77 1sxe n HIS 193 Ca 0.01 0.04 -0.24 0.00 -0.26 0.00 0.00 57.72 57.28 1sxe n HIS 193 Cb 0.23 -0.57 -0.12 0.00 1.12 0.00 0.00 29.99 30.66 1sxe n HIS 193 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 1sxe n TYR 194 N -1.60 0.50 -0.07 4.41 9.36 -0.77 -4.47 117.16 124.52 1sxe n TYR 194 Ca 0.04 0.16 -0.07 0.00 3.32 0.00 0.00 57.90 61.36 1sxe n TYR 194 Cb 0.23 -1.06 -0.01 0.00 -0.63 0.00 0.00 39.34 37.88 1sxe n TYR 194 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 1sxe h LEU 195 N -0.56 -0.40 -2.00 2.98 3.38 -0.89 -2.94 115.31 114.88 1sxe h LEU 195 Ca -0.54 0.10 0.15 0.00 0.09 0.00 0.00 57.88 57.69 1sxe h LEU 195 Cb 1.69 0.23 -0.02 0.00 0.09 0.00 0.00 40.66 42.64 1sxe h LEU 195 CO -0.20 -0.15 0.44 -0.09 0.09 0.00 0.00 178.44 178.54 1sxe h ARG 196 N -0.07 0.00 -0.98 1.13 2.43 -0.70 -2.98 114.38 113.21 1sxe h ARG 196 Ca 0.14 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.28 1sxe h ARG 196 Cb 0.29 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 1sxe h ARG 196 CO -0.32 0.00 0.05 0.39 -1.51 0.00 0.00 179.97 178.57 1sxe n GLU 197 N -4.04 1.29 0.05 0.20 -0.58 -1.11 -3.94 120.64 112.50 1sxe n GLU 197 Ca 0.10 -0.37 0.00 0.00 -0.42 0.00 0.00 57.16 56.46 1sxe n GLU 197 Cb 0.65 -1.33 0.00 0.00 -0.57 0.00 0.00 31.44 30.20 1sxe n GLU 197 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1sxe n THR 198 N 0.21 0.95 0.00 2.62 -2.24 -1.12 -5.05 114.28 109.64 1sxe n THR 198 Ca 0.06 0.31 0.00 0.00 -2.27 0.00 0.00 64.05 62.15 1sxe n THR 198 Cb 0.53 -1.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.25 1sxe n THR 198 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1sxe n PRO 199 N -3.40 0.00 -3.33 -0.78 -0.04 -1.25 -4.94 135.00 121.25 1sxe n PRO 199 Ca 0.00 0.01 -0.38 0.00 -0.04 0.00 0.00 63.50 63.09 1sxe n PRO 199 Cb 0.09 -0.16 -0.06 0.00 -0.04 0.00 0.00 33.50 33.32 1sxe n PRO 199 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1sxe s LEU 200 N -2.62 4.26 0.00 1.53 2.01 -1.26 -5.03 118.68 117.56 1sxe s LEU 200 Ca 0.00 0.77 0.16 0.00 0.01 0.00 0.00 54.13 55.07 1sxe s LEU 200 Cb 0.00 -2.66 0.95 0.00 0.01 0.00 0.00 46.19 44.49 1sxe s LEU 200 CO 0.00 -0.00 1.36 -0.81 1.01 0.00 0.00 176.35 177.91