#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 6.03 0.03 1.61 0.01 -1.26 -4.53 113.70 115.60 1sxe s SER 106 Ca 0.00 0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.32 1sxe s SER 106 Cb 0.00 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1sxe s SER 106 CO 0.00 -1.83 0.00 1.41 0.41 0.00 0.00 173.24 173.23 1sxe n HIS 107 N 9.90 -0.35 0.07 2.43 -0.00 -1.26 -4.71 115.22 121.30 1sxe n HIS 107 Ca 0.10 0.05 -0.14 0.00 -0.00 0.00 0.00 57.72 57.73 1sxe n HIS 107 Cb 0.50 0.52 -0.14 0.00 -0.00 0.00 0.00 29.99 30.87 1sxe n HIS 107 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.34 176.86 1sxe h MET 108 N 0.00 0.20 0.00 -0.41 0.00 -2.04 -3.32 114.93 109.35 1sxe h MET 108 Ca 0.00 -0.34 -0.05 0.00 0.00 0.00 0.00 59.70 59.31 1sxe h MET 108 Cb 0.00 0.13 -0.01 0.00 0.00 0.00 0.00 31.60 31.72 1sxe h MET 108 CO 0.00 1.07 -1.20 -0.85 0.00 0.00 0.00 176.91 175.93 1sxe n GLU 109 N -3.42 0.61 -3.00 1.72 0.00 -1.26 -4.77 120.64 110.52 1sxe n GLU 109 Ca -0.12 0.13 -0.44 0.00 0.00 0.00 0.00 57.16 56.73 1sxe n GLU 109 Cb 1.02 -1.80 -0.04 0.00 0.00 0.00 0.00 31.44 30.62 1sxe n GLU 109 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1sxe s GLU 110 N -3.25 3.11 0.49 3.44 2.12 -1.25 -5.03 118.70 118.33 1sxe s GLU 110 Ca -0.02 -0.97 -0.13 0.00 0.36 0.00 0.00 54.97 54.21 1sxe s GLU 110 Cb 0.10 -4.21 -0.06 0.00 0.26 0.00 0.00 34.13 30.21 1sxe s GLU 110 CO 0.80 -1.59 0.90 0.21 -0.54 0.00 0.00 175.26 175.05 1sxe s LYS 111 N 3.32 3.80 -1.05 4.30 2.20 -1.26 -4.74 119.74 126.30 1sxe s LYS 111 Ca 0.18 0.70 -0.24 0.00 -0.36 0.00 0.00 55.97 56.24 1sxe s LYS 111 Cb -0.20 -2.23 -0.12 0.00 -1.51 0.00 0.00 37.83 33.77 1sxe s LYS 111 CO 0.10 -0.23 2.04 -1.01 -0.36 0.00 0.00 175.35 175.88 1sxe s HIS 112 N -2.64 1.64 -0.32 4.03 3.76 -1.26 -4.90 115.29 115.60 1sxe s HIS 112 Ca 0.55 1.14 -0.14 0.00 -0.15 0.00 0.00 55.06 56.46 1sxe s HIS 112 Cb -0.10 -3.77 -0.02 0.00 1.11 0.00 0.00 32.58 29.79 1sxe s HIS 112 CO 0.36 -1.23 0.33 -1.64 -0.85 0.00 0.00 174.74 171.71 1sxe s MET 113 N 7.37 3.68 0.65 1.40 1.00 -1.26 -5.03 119.30 127.11 1sxe s MET 113 Ca 0.75 -0.35 -0.18 0.00 0.00 0.00 0.00 55.69 55.91 1sxe s MET 113 Cb -0.05 -3.76 -0.01 0.00 0.00 0.00 0.00 34.83 31.01 1sxe s MET 113 CO 0.11 -0.43 1.25 -2.14 0.00 0.00 0.00 175.02 173.81 1sxe s PRO 114 N 1.97 2.60 0.75 2.03 0.02 -1.26 -5.03 135.00 136.08 1sxe s PRO 114 Ca 0.11 1.94 -0.12 0.00 0.02 0.00 0.00 61.00 62.96 1sxe s PRO 114 Cb -0.16 -1.87 0.04 0.00 0.02 0.00 0.00 34.50 32.53 1sxe s PRO 114 CO 0.11 -1.52 1.13 -1.25 -0.33 0.00 0.00 177.00 175.14 1sxe s PRO 115 N -3.45 2.45 0.22 5.54 0.04 -1.26 -4.98 135.00 133.56 1sxe s PRO 115 Ca 0.80 0.29 -0.30 0.00 0.04 0.00 0.00 61.00 61.83 1sxe s PRO 115 Cb -0.34 -1.99 -0.16 0.00 0.04 0.00 0.00 34.50 32.05 1sxe s PRO 115 CO 0.39 -1.29 0.92 -2.30 0.04 0.00 0.00 177.00 174.76 1sxe n PRO 116 N -3.14 0.87 0.00 0.56 -0.02 -1.26 -4.97 135.00 127.03 1sxe n PRO 116 Ca 0.07 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1sxe n PRO 116 Cb 0.59 -1.62 0.00 0.00 -0.02 0.00 0.00 33.50 32.45 1sxe n PRO 116 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1sxe n ASN 117 N 1.66 0.00 -4.34 2.55 3.02 -1.09 -5.05 115.26 112.01 1sxe n ASN 117 Ca 0.14 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.44 1sxe n ASN 117 Cb 0.27 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.32 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 0.00 1.27 0.00 3.52 -1.94 -1.20 -4.93 119.30 116.02 1sxe s MET 118 Ca 0.00 -1.32 0.29 0.00 -1.71 0.00 0.00 55.69 52.95 1sxe s MET 118 Cb 0.00 -1.52 1.44 0.00 2.01 0.00 0.00 34.83 36.76 1sxe s MET 118 CO 0.00 0.34 2.00 0.25 -0.01 0.00 0.00 175.02 177.60 1sxe n THR 119 N 0.70 0.03 -0.22 2.05 -2.24 -1.26 -2.99 114.28 110.34 1sxe n THR 119 Ca -0.16 0.01 0.07 0.00 -2.27 0.00 0.00 64.05 61.69 1sxe n THR 119 Cb 0.55 -0.52 0.33 0.00 -2.10 0.00 0.00 70.33 68.59 1sxe n THR 119 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1sxe h THR 120 N 0.00 1.00 -0.22 4.28 2.02 -1.95 -1.08 112.91 116.96 1sxe h THR 120 Ca 0.00 -0.28 -0.16 0.00 0.77 0.00 0.00 66.41 66.75 1sxe h THR 120 Cb 0.32 0.12 -0.12 0.00 -1.74 0.00 0.00 68.15 66.73 1sxe h THR 120 CO 0.00 0.15 -0.57 0.59 0.37 0.00 0.00 175.52 176.06 1sxe n ASN 121 N -4.49 2.62 -0.14 4.18 3.02 -0.88 -4.80 115.26 114.77 1sxe n ASN 121 Ca 0.13 -3.86 0.14 0.00 -0.03 0.00 0.00 54.58 50.95 1sxe n ASN 121 Cb 0.27 -0.48 0.50 0.00 -0.61 0.00 0.00 39.78 39.45 1sxe n ASN 121 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1sxe h GLU 122 N 1.32 0.40 -0.01 3.52 4.81 -1.30 0.72 114.58 124.04 1sxe h GLU 122 Ca 0.11 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1sxe h GLU 122 Cb 1.16 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1sxe h GLU 122 CO 0.22 0.27 0.00 0.54 -0.73 0.00 0.00 179.01 179.31 1sxe n ARG 123 N -4.47 1.12 0.00 1.92 5.12 -1.26 -4.42 116.66 114.66 1sxe n ARG 123 Ca 0.13 -0.17 0.00 0.00 -1.93 0.00 0.00 57.85 55.87 1sxe n ARG 123 Cb 0.47 -1.43 0.00 0.00 -1.16 0.00 0.00 32.46 30.34 1sxe n ARG 123 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1sxe n ARG 124 N -0.73 0.00 0.00 5.56 1.74 0.71 -4.99 116.66 118.95 1sxe n ARG 124 Ca 0.20 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.34 1sxe n ARG 124 Cb 0.14 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.55 1sxe n ARG 124 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1sxe n VAL 125 N -0.14 0.00 -3.45 1.55 0.31 -0.26 -4.99 118.33 111.35 1sxe n VAL 125 Ca 0.00 -0.30 -0.18 0.00 -0.01 0.00 0.00 64.34 63.85 1sxe n VAL 125 Cb 0.00 1.09 0.08 0.00 -0.91 0.00 0.00 33.84 34.10 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 -0.66 -6.12 -4.19 2.52 -0.00 0.22 -4.94 119.36 106.19 1sxe n ILE 126 Ca 0.04 -0.59 -0.15 0.00 -0.00 0.00 0.00 62.75 62.05 1sxe n ILE 126 Cb 0.24 -4.99 -0.11 0.00 -0.00 0.00 0.00 39.64 34.78 1sxe n ILE 126 CO 0.00 0.00 0.00 0.68 -0.00 0.00 0.00 176.55 177.23 1sxe s VAL 127 N -3.41 1.01 0.24 1.39 -7.23 -1.16 -2.66 120.40 108.58 1sxe s VAL 127 Ca 0.05 -1.71 -0.31 0.00 -1.81 0.00 0.00 61.98 58.20 1sxe s VAL 127 Cb -0.01 -1.45 -0.12 0.00 0.56 0.00 0.00 36.38 35.36 1sxe s VAL 127 CO 0.74 -0.57 1.66 -0.81 -0.31 0.00 0.00 175.10 175.81 1sxe n PRO 128 N 0.45 2.69 0.25 4.82 -0.04 -1.26 -2.06 135.00 139.84 1sxe n PRO 128 Ca -0.15 0.97 0.15 0.00 -0.04 0.00 0.00 63.50 64.42 1sxe n PRO 128 Cb 0.58 -2.78 0.66 0.00 -0.04 0.00 0.00 33.50 31.92 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 5.88 1.70 -2.02 0.55 0.00 -1.88 -3.30 119.26 120.18 1sxe h ALA 129 Ca -0.45 -0.01 -0.63 0.00 0.00 0.00 0.00 54.91 53.83 1sxe h ALA 129 Cb 1.22 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.89 1sxe h ALA 129 CO 0.88 -0.58 0.37 0.34 0.00 0.00 0.00 179.25 180.26 1sxe s ASP 130 N -4.36 6.39 0.00 0.00 -1.08 -1.26 -3.48 116.67 112.88 1sxe s ASP 130 Ca -0.03 -0.18 0.00 0.00 -0.52 0.00 0.00 52.55 51.82 1sxe s ASP 130 Cb 0.09 -2.39 0.00 0.00 -1.46 0.00 0.00 42.92 39.16 1sxe s ASP 130 CO 0.31 -0.95 0.43 -2.65 0.52 0.00 0.00 175.17 172.82 1sxe n PRO 131 N 6.79 0.44 -0.11 4.34 -0.02 -1.24 -3.06 135.00 142.14 1sxe n PRO 131 Ca 0.02 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.38 1sxe n PRO 131 Cb 0.48 -1.28 -0.15 0.00 -0.02 0.00 0.00 33.50 32.53 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 0.77 1.42 0.17 3.45 -2.24 -1.26 -3.75 114.28 112.84 1sxe n THR 132 Ca 0.00 -0.78 0.10 0.00 -2.27 0.00 0.00 64.05 61.10 1sxe n THR 132 Cb 0.22 -0.73 0.19 0.00 -2.10 0.00 0.00 70.33 67.91 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 -2.89 3.22 -4.67 3.22 4.77 -1.17 -0.06 117.00 119.41 1sxe n LEU 133 Ca -0.37 -1.58 -0.52 0.00 -0.03 0.00 0.00 56.01 53.52 1sxe n LEU 133 Cb 1.11 -0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 41.91 1sxe n LEU 133 CO 0.38 0.72 1.46 0.79 -1.33 0.00 0.00 177.39 179.41 1sxe n TRP 134 N 1.22 2.16 -1.24 -1.77 8.01 -1.26 -4.74 117.44 119.81 1sxe n TRP 134 Ca 0.17 0.24 -0.32 0.00 -1.31 0.00 0.00 57.50 56.28 1sxe n TRP 134 Cb 0.53 -2.57 0.10 0.00 -2.01 0.00 0.00 31.31 27.36 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 4.21 4.20 0.25 -0.99 0.01 -1.26 0.11 113.70 120.23 1sxe s SER 135 Ca 0.97 2.01 0.02 0.00 1.31 0.00 0.00 55.95 60.26 1sxe s SER 135 Cb -0.86 -2.55 0.63 0.00 0.21 0.00 0.00 66.02 63.45 1sxe s SER 135 CO 0.57 -2.24 1.23 0.35 0.41 0.00 0.00 173.24 173.55 1sxe n THR 136 N -3.38 -0.33 0.08 1.44 -2.24 -1.26 0.15 114.28 108.74 1sxe n THR 136 Ca 0.11 1.71 -0.14 0.00 -2.27 0.00 0.00 64.05 63.46 1sxe n THR 136 Cb 0.52 -2.52 -0.14 0.00 -2.10 0.00 0.00 70.33 66.10 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 0.33 0.79 3.42 2.03 -1.88 -3.15 116.42 117.96 1sxe h ASP 137 Ca 0.49 -0.38 0.00 0.00 -0.73 0.00 0.00 57.03 56.41 1sxe h ASP 137 Cb 1.03 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 39.42 1sxe h ASP 137 CO -0.73 1.30 0.00 1.41 -1.03 0.00 0.00 179.24 180.19 1sxe n HIS 138 N -3.47 0.78 0.04 4.15 8.25 0.12 -0.61 115.22 124.48 1sxe n HIS 138 Ca -0.09 0.30 -0.22 0.00 -0.26 0.00 0.00 57.72 57.45 1sxe n HIS 138 Cb 1.01 -0.98 -0.14 0.00 1.12 0.00 0.00 29.99 31.00 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 0.77 -0.12 1.59 2.07 -0.77 -3.09 116.25 116.70 1sxe h VAL 139 Ca 0.00 -2.43 -0.05 0.00 0.82 0.00 0.00 66.70 65.04 1sxe h VAL 139 Cb 0.39 2.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.78 1sxe h VAL 139 CO 0.00 0.88 -0.16 -0.09 0.02 0.00 0.00 177.57 178.22 1sxe h ARG 140 N 0.09 0.19 0.49 1.57 2.43 -1.47 -1.58 114.38 116.10 1sxe h ARG 140 Ca -0.39 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 58.71 1sxe h ARG 140 Cb 2.07 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.60 1sxe h ARG 140 CO 0.13 0.36 -0.24 0.37 -1.51 0.00 0.00 179.97 179.08 1sxe h GLN 141 N 0.18 -0.64 0.01 0.20 4.15 -0.86 0.79 115.11 118.94 1sxe h GLN 141 Ca 0.04 0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.52 1sxe h GLN 141 Cb 0.40 0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.21 1sxe h GLN 141 CO 0.02 -0.43 -0.14 2.35 -1.93 0.00 0.00 178.83 178.71 1sxe h TRP 142 N -0.77 -0.36 -1.13 3.99 7.01 -1.55 0.28 115.95 123.43 1sxe h TRP 142 Ca -0.07 0.01 0.33 0.00 2.11 0.00 0.00 58.89 61.27 1sxe h TRP 142 Cb 0.51 0.16 -0.11 0.00 -2.10 0.00 0.00 29.16 27.61 1sxe h TRP 142 CO 0.08 -0.21 0.71 1.25 -2.79 0.00 0.00 178.44 177.48 1sxe h LEU 143 N -0.24 0.39 0.06 0.65 5.85 -1.30 1.57 115.31 122.29 1sxe h LEU 143 Ca 0.04 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 1sxe h LEU 143 Cb 0.29 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1sxe h LEU 143 CO -0.13 -0.04 -0.03 -0.33 -0.34 0.00 0.00 178.44 177.58 1sxe h GLU 144 N 0.28 -0.07 0.00 1.25 5.08 0.05 -2.70 114.58 118.48 1sxe h GLU 144 Ca 0.69 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 59.06 1sxe h GLU 144 Cb 1.88 0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.15 1sxe h GLU 144 CO -0.39 0.47 0.08 1.87 -1.00 0.00 0.00 179.01 180.05 1sxe n TRP 145 N -4.77 0.00 -0.09 4.33 -0.00 0.90 -1.03 117.44 116.77 1sxe n TRP 145 Ca -0.07 0.00 -0.14 0.00 -0.00 0.00 0.00 57.50 57.29 1sxe n TRP 145 Cb 0.28 -0.40 -0.06 0.00 -0.00 0.00 0.00 31.31 31.14 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 -1.39 0.72 -0.31 5.87 0.00 0.51 -2.35 120.51 123.55 1sxe n ALA 146 Ca 0.00 -0.59 0.18 0.00 0.00 0.00 0.00 53.44 53.03 1sxe n ALA 146 Cb 0.08 -0.15 0.44 0.00 0.00 0.00 0.00 19.45 19.83 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 0.63 0.00 0.00 2.07 -1.08 0.27 116.25 117.14 1sxe h VAL 147 Ca -0.20 -0.18 -0.14 0.00 0.82 0.00 0.00 66.70 66.99 1sxe h VAL 147 Cb 0.98 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1sxe h VAL 147 CO -0.12 0.10 -0.69 0.07 0.02 0.00 0.00 177.57 176.95 1sxe h LYS 148 N 0.53 0.00 0.00 1.57 2.10 -1.20 -1.66 116.57 117.91 1sxe h LYS 148 Ca 0.56 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.21 1sxe h LYS 148 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 1sxe h LYS 148 CO -0.30 0.69 -0.03 1.49 -2.00 0.00 0.00 179.45 179.30 1sxe h GLU 149 N 0.00 0.00 0.00 0.07 4.57 -0.83 -3.38 114.58 115.01 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 1.52 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.11 1sxe h GLU 149 CO 0.09 0.00 0.00 0.66 -1.18 0.00 0.00 179.01 178.58 1sxe n TYR 150 N -2.70 0.00 -2.79 0.92 4.01 0.84 -4.84 117.16 112.61 1sxe n TYR 150 Ca -0.00 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.64 1sxe n TYR 150 Cb 0.01 -0.18 0.05 0.00 -0.31 0.00 0.00 39.34 38.91 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 -0.71 0.06 3.62 2.72 0.00 -0.82 -4.95 105.19 105.10 1sxe n GLY 151 Ca 0.04 -0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 -4.24 3.82 0.24 0.99 1.43 -0.69 -4.92 118.68 115.31 1sxe s LEU 152 Ca 0.05 0.73 -0.07 0.00 -1.03 0.00 0.00 54.13 53.81 1sxe s LEU 152 Cb -0.02 -3.50 0.23 0.00 0.03 0.00 0.00 46.19 42.92 1sxe s LEU 152 CO 0.37 -1.04 1.89 1.55 0.23 0.00 0.00 176.35 179.36 1sxe h PRO 153 N 8.63 1.27 -1.31 1.29 0.13 -1.92 -3.37 132.00 136.73 1sxe h PRO 153 Ca -0.22 -0.11 -0.29 0.00 -0.87 0.00 0.00 66.00 64.51 1sxe h PRO 153 Cb 1.06 -0.27 -0.23 0.00 0.13 0.00 0.00 31.00 31.70 1sxe h PRO 153 CO 1.07 0.89 -0.64 -3.47 -0.23 0.00 0.00 178.00 175.61 1sxe n ASP 154 N -4.37 -2.49 -4.64 1.44 2.03 -1.26 -5.10 116.55 102.16 1sxe n ASP 154 Ca 0.11 -2.80 -0.35 0.00 0.52 0.00 0.00 54.79 52.27 1sxe n ASP 154 Cb 0.05 1.06 -0.10 0.00 -0.72 0.00 0.00 41.12 41.42 1sxe n ASP 154 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1sxe s VAL 155 N 0.56 4.87 -0.64 5.18 1.01 -1.26 -4.93 120.40 125.18 1sxe s VAL 155 Ca 0.31 -0.00 -0.18 0.00 0.00 0.00 0.00 61.98 62.10 1sxe s VAL 155 Cb 0.04 -3.21 0.12 0.00 0.00 0.00 0.00 36.38 33.33 1sxe s VAL 155 CO -0.11 0.44 0.75 0.21 0.00 0.00 0.00 175.10 176.39 1sxe s ASN 156 N 0.47 6.27 0.10 3.32 3.04 -1.26 -4.89 114.94 121.99 1sxe s ASN 156 Ca 0.04 -1.60 -0.11 0.00 0.04 0.00 0.00 52.86 51.23 1sxe s ASN 156 Cb -0.12 -2.30 -0.17 0.00 -1.54 0.00 0.00 41.25 37.11 1sxe s ASN 156 CO 0.00 -1.07 1.25 0.40 -3.04 0.00 0.00 177.10 174.65 1sxe h ILE 157 N 5.82 1.31 0.00 -5.21 1.08 -1.95 -3.05 117.51 115.51 1sxe h ILE 157 Ca -0.22 -2.23 0.00 0.00 -0.39 0.00 0.00 64.86 62.02 1sxe h ILE 157 Cb 1.08 2.30 0.00 0.00 -3.07 0.00 0.00 36.82 37.13 1sxe h ILE 157 CO 1.07 0.69 0.00 0.00 -0.69 0.00 0.00 178.15 179.22 1sxe n LEU 158 N -3.84 0.00 -0.00 1.44 -0.00 -1.26 -0.68 117.00 112.65 1sxe n LEU 158 Ca -0.09 0.00 0.03 0.00 -0.00 0.00 0.00 56.01 55.95 1sxe n LEU 158 Cb 0.84 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 44.14 1sxe n LEU 158 CO 0.54 0.00 -0.62 0.18 -0.00 0.00 0.00 177.39 177.49 1sxe n LEU 159 N -0.73 0.36 0.00 1.47 4.32 -1.15 -4.06 117.00 117.22 1sxe n LEU 159 Ca 0.00 0.15 0.11 0.00 -0.02 0.00 0.00 56.01 56.25 1sxe n LEU 159 Cb 0.00 0.13 -0.00 0.00 -1.62 0.00 0.00 43.42 41.93 1sxe n LEU 159 CO 0.00 0.14 0.05 0.49 -1.22 0.00 0.00 177.39 176.85 1sxe n PHE 160 N -2.62 0.05 -0.15 -1.77 3.01 0.14 -4.36 117.46 111.77 1sxe n PHE 160 Ca -0.12 0.01 0.28 0.00 1.01 0.00 0.00 57.45 58.64 1sxe n PHE 160 Cb 0.79 -0.17 0.71 0.00 -0.01 0.00 0.00 39.48 40.80 1sxe n PHE 160 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 1sxe h GLN 161 N 0.00 0.00 -0.41 -1.08 4.15 -1.67 0.81 115.11 116.91 1sxe h GLN 161 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1sxe h GLN 161 Cb 0.57 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.26 1sxe h GLN 161 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 178.83 176.99 1sxe n ASN 162 N -3.96 3.47 -4.67 -0.69 5.03 -1.26 -4.74 115.26 108.45 1sxe n ASN 162 Ca 0.18 -1.98 -0.36 0.00 0.87 0.00 0.00 54.58 53.29 1sxe n ASN 162 Cb 1.01 -0.26 -0.09 0.00 -1.02 0.00 0.00 39.78 39.42 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 -1.42 5.26 0.26 2.41 1.01 0.28 -5.01 121.20 124.00 1sxe s ILE 163 Ca 0.39 0.14 0.03 0.00 0.00 0.00 0.00 60.65 61.21 1sxe s ILE 163 Cb 0.22 -3.43 0.03 0.00 0.01 0.00 0.00 42.46 39.30 1sxe s ILE 163 CO 0.31 0.39 0.29 -0.90 0.00 0.00 0.00 174.94 175.03 1sxe n ASP 164 N 3.99 1.35 -0.09 3.58 5.75 -1.26 -4.49 116.55 125.38 1sxe n ASP 164 Ca -0.16 -1.79 0.09 0.00 -0.01 0.00 0.00 54.79 52.93 1sxe n ASP 164 Cb 0.52 -0.12 0.46 0.00 -1.03 0.00 0.00 41.12 40.95 1sxe n ASP 164 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1sxe h GLY 165 N 0.16 0.66 2.00 6.12 0.00 0.77 -0.60 103.07 112.17 1sxe h GLY 165 Ca -0.14 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 46.94 1sxe h GLY 165 CO 0.21 0.14 -0.22 0.07 0.00 0.00 0.00 176.54 176.75 1sxe h LYS 166 N 0.50 0.00 0.00 4.80 2.10 -0.64 0.48 116.57 123.81 1sxe h LYS 166 Ca 0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.91 1sxe h LYS 166 Cb 0.38 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.71 1sxe h LYS 166 CO -0.08 0.22 -1.51 -1.91 -2.00 0.00 0.00 179.45 174.18 1sxe n GLU 167 N -3.73 0.41 0.01 0.07 2.13 -0.33 -3.77 120.64 115.43 1sxe n GLU 167 Ca -0.01 -0.09 -0.02 0.00 0.66 0.00 0.00 57.16 57.69 1sxe n GLU 167 Cb 0.33 -1.54 -0.10 0.00 0.27 0.00 0.00 31.44 30.40 1sxe n GLU 167 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1sxe n LEU 168 N -2.02 0.77 0.25 4.31 7.94 -0.63 -3.50 117.00 124.12 1sxe n LEU 168 Ca -0.01 0.34 0.07 0.00 -1.11 0.00 0.00 56.01 55.31 1sxe n LEU 168 Cb 0.48 0.12 0.60 0.00 0.53 0.00 0.00 43.42 45.15 1sxe n LEU 168 CO 0.44 0.20 1.03 0.00 -1.11 0.00 0.00 177.39 177.95 1sxe n LYS 170 N -4.49 3.36 -3.24 0.00 2.85 -1.23 -4.94 118.16 110.47 1sxe n LYS 170 Ca -0.03 -3.05 -0.39 0.00 -1.05 0.00 0.00 58.31 53.80 1sxe n LYS 170 Cb 0.13 -2.07 -0.06 0.00 -0.65 0.00 0.00 35.03 32.38 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 -2.97 4.31 0.38 -1.58 -1.94 -0.98 -5.04 119.30 111.49 1sxe s MET 171 Ca 0.50 0.63 0.07 0.00 -1.71 0.00 0.00 55.69 55.19 1sxe s MET 171 Cb 0.41 -3.38 0.00 0.00 2.01 0.00 0.00 34.83 33.87 1sxe s MET 171 CO 0.11 0.28 0.53 0.95 -0.01 0.00 0.00 175.02 176.87 1sxe s THR 172 N 0.17 3.45 0.44 2.05 -4.23 -1.26 -4.99 115.64 111.28 1sxe s THR 172 Ca 0.30 -1.00 0.15 0.00 -1.18 0.00 0.00 61.69 59.95 1sxe s THR 172 Cb -0.17 -3.17 0.33 0.00 1.34 0.00 0.00 72.50 70.83 1sxe s THR 172 CO 0.15 -0.07 1.99 0.50 -0.54 0.00 0.00 174.62 176.65 1sxe h LYS 173 N 0.75 0.35 0.00 3.99 3.64 -1.98 -0.91 116.57 122.41 1sxe h LYS 173 Ca -0.42 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 58.86 1sxe h LYS 173 Cb 1.27 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 1sxe h LYS 173 CO 0.48 0.23 -0.37 0.22 -2.27 0.00 0.00 179.45 177.74 1sxe h ASP 174 N 0.36 0.00 1.50 4.20 3.58 -1.98 -2.82 116.42 121.26 1sxe h ASP 174 Ca 0.26 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.62 1sxe h ASP 174 Cb 0.56 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.59 1sxe h ASP 174 CO -0.07 0.37 -0.45 -0.78 -2.88 0.00 0.00 179.24 175.44 1sxe h ASP 175 N 0.00 0.00 1.72 2.28 1.82 -1.55 -2.12 116.42 118.57 1sxe h ASP 175 Ca -0.00 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.58 1sxe h ASP 175 Cb 0.95 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.95 1sxe h ASP 175 CO 0.05 0.45 -0.24 -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 -1.41 -3.22 116.94 111.59 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 1.32 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.88 1sxe h PHE 176 CO 0.00 0.24 -0.03 1.04 -1.61 0.00 0.00 178.31 177.95 1sxe n GLN 177 N -3.17 0.73 0.00 1.51 6.02 -0.82 0.66 117.38 122.32 1sxe n GLN 177 Ca 0.03 -0.11 0.10 0.00 -0.01 0.00 0.00 57.00 57.01 1sxe n GLN 177 Cb 0.62 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 30.33 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 -1.04 0.93 -0.00 -1.09 1.85 -1.07 -3.40 116.66 112.84 1sxe n ARG 178 Ca 0.17 -0.52 0.01 0.00 -1.00 0.00 0.00 57.85 56.51 1sxe n ARG 178 Cb 0.22 -1.43 -0.02 0.00 -1.05 0.00 0.00 32.46 30.17 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 -0.69 0.00 -3.00 2.89 4.77 -0.95 -4.91 117.00 115.10 1sxe n LEU 179 Ca 0.06 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1sxe n LEU 179 Cb 0.38 0.01 -0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1sxe n LEU 179 CO 0.33 0.01 0.18 -0.89 -1.33 0.00 0.00 177.39 175.69 1sxe s THR 180 N -2.18 -0.83 0.93 -5.08 2.01 0.21 -4.34 115.64 106.37 1sxe s THR 180 Ca -0.01 -0.25 -0.14 0.00 0.31 0.00 0.00 61.69 61.60 1sxe s THR 180 Cb 0.02 0.00 0.16 0.00 0.01 0.00 0.00 72.50 72.68 1sxe s THR 180 CO 0.12 0.00 1.19 -2.84 -0.69 0.00 0.00 174.62 172.40 1sxe s PRO 181 N 1.58 0.93 0.18 4.92 0.02 -1.22 -3.88 135.00 137.54 1sxe s PRO 181 Ca 0.20 0.04 0.00 0.00 0.02 0.00 0.00 61.00 61.26 1sxe s PRO 181 Cb -0.01 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.67 1sxe s PRO 181 CO -0.08 -2.29 0.00 0.45 -0.33 0.00 0.00 177.00 174.75 1sxe n SER 182 N -3.78 0.00 -4.66 2.53 2.88 -1.26 -4.73 113.62 104.60 1sxe n SER 182 Ca 0.10 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.34 1sxe n SER 182 Cb 0.60 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.96 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 2.20 0.00 0.66 1.13 -1.26 -4.74 117.35 115.34 1sxe s TYR 183 Ca 0.00 -0.82 0.00 0.00 -1.41 0.00 0.00 57.07 54.84 1sxe s TYR 183 Cb 0.00 -1.67 0.00 0.00 -1.10 0.00 0.00 41.96 39.19 1sxe s TYR 183 CO 0.00 0.32 0.00 0.09 -2.51 0.00 0.00 175.55 173.45 1sxe n ASN 184 N -1.09 0.00 0.26 -0.18 3.02 -1.26 -4.73 115.26 111.28 1sxe n ASN 184 Ca -0.11 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.28 1sxe n ASN 184 Cb 0.67 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.76 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 -0.73 0.00 5.41 0.00 -1.85 -0.47 119.26 121.62 1sxe h ALA 185 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1sxe h ALA 185 Cb 0.00 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1sxe h ALA 185 CO 0.00 -0.93 0.00 -3.47 0.00 0.00 0.00 179.25 174.85 1sxe n ASP 186 N -5.44 0.00 -0.07 0.00 2.03 -1.26 -1.21 116.55 110.60 1sxe n ASP 186 Ca -0.11 0.39 -0.05 0.00 0.52 0.00 0.00 54.79 55.55 1sxe n ASP 186 Cb 0.33 -0.43 -0.02 0.00 -0.72 0.00 0.00 41.12 40.29 1sxe n ASP 186 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1sxe n ILE 187 N -1.43 1.34 -0.15 5.18 5.41 -0.85 -3.48 119.36 125.40 1sxe n ILE 187 Ca 0.02 0.23 -0.03 0.00 1.00 0.00 0.00 62.75 63.97 1sxe n ILE 187 Cb 0.08 -2.34 0.06 0.00 -0.71 0.00 0.00 39.64 36.72 1sxe n ILE 187 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1sxe h LEU 188 N -0.94 -0.07 -0.30 1.39 3.38 -0.99 -2.63 115.31 115.14 1sxe h LEU 188 Ca 0.00 0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 1sxe h LEU 188 Cb 0.54 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1sxe h LEU 188 CO 0.00 -0.01 -0.18 0.25 0.09 0.00 0.00 178.44 178.60 1sxe h LEU 189 N 0.18 0.67 -1.74 1.67 5.85 -1.38 0.28 115.31 120.84 1sxe h LEU 189 Ca 0.24 -0.42 0.29 0.00 0.84 0.00 0.00 57.88 58.82 1sxe h LEU 189 Cb 0.33 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 1sxe h LEU 189 CO -0.34 0.95 0.72 -1.28 -0.34 0.00 0.00 178.44 178.14 1sxe h SER 190 N 0.39 0.19 0.42 1.25 0.87 -1.53 0.34 113.55 115.48 1sxe h SER 190 Ca 0.06 0.03 -0.31 0.00 -1.23 0.00 0.00 61.79 60.34 1sxe h SER 190 Cb 0.71 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.66 1sxe h SER 190 CO 0.05 0.04 -1.63 0.45 -0.53 0.00 0.00 176.83 175.21 1sxe h HIS 191 N 0.17 0.35 -0.50 2.24 3.86 -0.95 -2.94 115.15 117.38 1sxe h HIS 191 Ca 0.53 -0.26 -0.07 0.00 -1.16 0.00 0.00 60.37 59.42 1sxe h HIS 191 Cb 1.78 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 30.21 1sxe h HIS 191 CO -0.00 1.36 0.04 1.25 0.86 0.00 0.00 177.93 181.44 1sxe h LEU 192 N 0.05 0.78 0.04 2.43 7.12 0.14 -1.44 115.31 124.43 1sxe h LEU 192 Ca -0.27 -0.17 -0.00 0.00 0.13 0.00 0.00 57.88 57.56 1sxe h LEU 192 Cb 2.01 -0.21 0.00 0.00 -0.53 0.00 0.00 40.66 41.93 1sxe h LEU 192 CO 0.13 0.82 -0.02 0.45 -0.13 0.00 0.00 178.44 179.69 1sxe h HIS 193 N 0.77 -0.05 -0.95 1.25 3.86 -0.53 -3.07 115.15 116.42 1sxe h HIS 193 Ca 0.15 -0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.40 1sxe h HIS 193 Cb 0.41 0.02 -0.06 0.00 1.06 0.00 0.00 27.41 28.84 1sxe h HIS 193 CO 0.02 0.52 0.62 -0.92 0.86 0.00 0.00 177.93 179.04 1sxe h TYR 194 N -0.68 1.16 -0.69 2.45 3.20 -1.42 -0.04 116.97 120.96 1sxe h TYR 194 Ca -0.01 0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.98 1sxe h TYR 194 Cb 0.60 -0.39 -0.07 0.00 1.54 0.00 0.00 36.73 38.42 1sxe h TYR 194 CO 0.13 0.66 0.35 -0.07 -1.64 0.00 0.00 178.16 177.59 1sxe h LEU 195 N 1.19 0.47 -0.50 2.82 3.38 -1.33 -1.46 115.31 119.88 1sxe h LEU 195 Ca 0.38 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.41 1sxe h LEU 195 Cb 0.02 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1sxe h LEU 195 CO -0.13 0.28 -0.08 -1.14 0.09 0.00 0.00 178.44 177.46 1sxe n ARG 196 N -4.85 1.11 0.17 1.13 0.63 -0.54 -2.23 116.66 112.07 1sxe n ARG 196 Ca 0.10 -0.50 0.13 0.00 -0.92 0.00 0.00 57.85 56.66 1sxe n ARG 196 Cb 0.24 -1.49 0.52 0.00 0.45 0.00 0.00 32.46 32.18 1sxe n ARG 196 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1sxe h GLU 197 N 1.23 0.00 -2.94 -0.14 5.08 0.08 -3.31 114.58 114.57 1sxe h GLU 197 Ca 0.00 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.75 1sxe h GLU 197 Cb 0.38 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.23 1sxe h GLU 197 CO 0.00 0.00 -0.71 0.95 -1.00 0.00 0.00 179.01 178.25 1sxe s THR 198 N -3.38 1.94 0.76 1.13 -4.23 -0.95 -5.10 115.64 105.82 1sxe s THR 198 Ca 0.04 -3.38 -0.12 0.00 -1.18 0.00 0.00 61.69 57.05 1sxe s THR 198 Cb 0.09 -2.31 0.06 0.00 1.34 0.00 0.00 72.50 71.68 1sxe s THR 198 CO 0.45 -1.00 1.12 -2.84 -0.54 0.00 0.00 174.62 171.82 1sxe s PRO 199 N -0.54 2.14 -0.02 3.99 0.02 -1.25 -4.32 135.00 135.03 1sxe s PRO 199 Ca 0.24 1.38 -0.30 0.00 0.02 0.00 0.00 61.00 62.34 1sxe s PRO 199 Cb -0.10 -1.87 -0.06 0.00 0.02 0.00 0.00 34.50 32.49 1sxe s PRO 199 CO -0.11 -1.76 1.49 -0.48 -0.33 0.00 0.00 177.00 175.81 1sxe s LEU 200 N -5.67 4.31 0.00 -5.54 -0.00 -1.26 -4.72 118.68 105.80 1sxe s LEU 200 Ca 0.66 2.16 0.31 0.00 -0.00 0.00 0.00 54.13 57.25 1sxe s LEU 200 Cb -0.21 -3.55 1.66 0.00 -0.00 0.00 0.00 46.19 44.09 1sxe s LEU 200 CO 0.51 -0.80 2.09 -0.81 -0.00 0.00 0.00 176.35 177.34