NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 117 W 5.0190 8.1333 120.5967 56.9518 31.5825 177.3476 118 M 4.1145 8.2453 118.3614 57.8352 31.7539 175.1804 119 E 4.0384 8.4376 118.5719 58.9278 30.1055 178.4794 120 W 4.2422 8.3805 128.0132 60.8437 30.8591 177.4127 121 D 4.3493 8.5486 118.5957 57.6076 40.3017 179.2735 122 R 3.9247 7.8585 118.3051 59.3586 30.1332 179.0228 123 E 3.9424 8.1648 118.3812 59.1509 29.2969 179.3687 124 I 3.5235 7.4367 120.0185 64.5584 37.1260 178.2442 125 N 4.3088 7.9249 116.8085 56.1244 38.3510 177.3626 126 N 4.1894 8.1423 117.8950 56.6629 38.6573 177.1790 127 Y 4.1566 7.8212 118.0043 61.2535 37.9039 178.5615 128 T 3.9088 8.3282 117.1878 66.6841 68.4860 176.8929 129 S 4.0976 8.1206 117.0387 61.3833 62.8192 176.0112 130 L 3.9163 7.8217 123.0822 58.5048 41.6725 178.9690 131 I 3.6951 7.8903 119.2273 64.7379 37.1307 177.6734 132 H 4.0429 8.2491 118.7337 59.4363 29.6669 176.7229 133 S 4.3090 8.0242 116.2225 61.1874 62.2265 176.5130 134 L 4.0445 8.1957 121.5401 57.5949 41.2227 179.7153 135 I 3.6973 7.9857 120.0086 64.2893 37.2165 177.8964 136 E 3.8865 8.0363 119.4876 59.7626 29.3757 179.0936 137 E 3.9947 8.1256 118.6186 59.4854 29.6009 178.7875 138 A 4.0814 8.0179 120.3986 54.8966 18.5695 179.6757 139 Q 3.9439 8.3983 117.2029 59.0849 28.7727 178.6418 140 N 4.3153 8.1080 117.4960 56.4780 38.6757 177.3097 141 Q 3.9889 8.0926 120.8856 59.1454 29.0737 178.1308 142 Q 3.9703 7.9876 120.8258 58.8265 29.0666 177.7283 143 E 3.9060 8.0754 120.0109 59.2713 29.7720 178.8307 144 K 3.9356 7.9414 118.4493 59.7355 31.9246 179.1221 145 N 4.3900 8.2924 116.5914 56.1686 38.2282 177.3835 146 E 3.9803 8.0318 119.1100 59.4483 29.9000 178.8377 147 Q 4.1814 8.1385 118.3221 59.1884 28.7009 179.0645 148 E 4.1726 8.0814 115.6750 58.2986 29.9481 178.3547 149 L 4.0774 7.4683 119.7636 57.3990 41.6705 176.9429 150 L 4.2180 7.7089 122.6865 54.8670 41.6930 176.3978 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 117 W 8.13 5.02 0.00 3.48 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 M 8.25 4.11 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.79 0.00 119 E 8.44 4.04 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 120 W 8.38 4.24 0.00 3.25 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 D 8.55 4.35 0.00 3.10 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 R 7.86 3.92 0.00 1.99 1.96 0.00 3.30 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 123 E 8.16 3.94 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.61 0.00 124 I 7.44 3.52 1.58 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 -0.36 0.66 0.00 0.00 125 N 7.92 4.31 0.00 2.88 2.81 0.00 0.00 7.10 6.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 N 8.14 4.19 0.00 2.45 2.55 0.00 0.00 7.03 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Y 7.82 4.16 0.00 2.98 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 T 8.33 3.91 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 129 S 8.12 4.10 0.00 3.85 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 L 7.82 3.92 0.00 1.74 1.94 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 131 I 7.89 3.70 2.14 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.46 0.94 0.00 0.00 132 H 8.25 4.04 0.00 3.32 3.43 0.00 5.63 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.02 4.31 0.00 3.97 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.20 4.04 0.00 1.89 1.70 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 135 I 7.99 3.70 1.96 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.82 0.89 0.00 0.00 136 E 8.04 3.89 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 137 E 8.13 3.99 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 138 A 8.02 4.08 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Q 8.40 3.94 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.70 0.00 140 N 8.11 4.32 0.00 2.89 2.86 0.00 0.00 6.67 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Q 8.09 3.99 0.00 2.30 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 142 Q 7.99 3.97 0.00 2.36 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 143 E 8.08 3.91 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 144 K 7.94 3.94 0.00 1.99 1.85 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.74 7.81 145 N 8.29 4.39 0.00 2.89 2.86 0.00 0.00 7.05 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.03 3.98 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 147 Q 8.14 4.18 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.65 0.00 148 E 8.08 4.17 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 149 L 7.47 4.08 0.00 1.78 1.79 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.71 4.22 0.00 1.74 1.57 0.96 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00