NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 86 D 4.6418 8.3493 120.3150 52.7831 41.3872 175.7004 87 E 4.5305 7.7016 119.3346 52.4556 29.1183 170.8537 88 P 4.8654 0.0000 0.0000 62.6272 33.3344 177.1154 89 L 4.3923 8.9567 128.5804 53.6489 43.8423 175.2658 90 S 5.1299 8.7116 122.1441 57.2771 63.0764 172.6622 91 I 4.6372 8.2495 120.6571 58.9827 40.9694 174.0641 92 L 4.9839 8.0148 124.9220 53.3739 44.0639 175.0127 93 V 5.1672 9.2672 126.8738 60.4732 33.9425 173.9780 94 R 4.8505 8.2391 128.5616 55.1679 32.1545 175.2431 95 N 4.4296 9.3978 124.7627 53.6811 37.5507 177.2975 96 N 4.0801 9.3351 117.7574 52.7015 40.2162 175.4204 97 K 4.6672 9.3584 121.1830 55.5238 35.9327 177.0591 98 G 4.4150 8.2530 114.5339 44.9856 0.0000 176.9042 99 R 4.1022 8.6615 121.9217 55.4633 30.0777 175.8047 100 S 4.7545 8.4644 117.1885 57.6390 62.6111 173.3900 101 S 4.7009 8.8946 122.8292 57.3802 64.6801 173.8398 102 T 4.7162 8.3509 121.0944 63.2682 69.3099 173.6841 103 Y 4.5364 9.1738 124.4811 56.3076 41.2201 175.2515 104 E 4.3774 8.8628 122.7647 55.5747 29.7787 175.5734 105 V 4.5263 8.5095 118.8746 59.5705 35.3610 174.5197 106 R 5.3082 7.9751 118.1852 53.8575 34.2846 176.5407 107 L 4.3083 8.7539 119.8106 57.4882 41.8026 178.8746 108 T 4.0178 8.7458 108.5889 63.2580 69.3579 174.6295 109 Q 4.1924 7.5820 124.9852 55.5168 30.0990 175.2215 110 T 4.7495 8.1350 115.1827 60.8405 71.7584 176.1079 111 V 3.7075 8.1558 120.5103 65.9120 31.4363 178.1290 112 A 4.0940 8.0962 120.4632 55.4812 18.2944 179.1495 113 H 4.1577 8.1201 114.9819 58.5814 28.7734 177.7663 114 L 3.9777 7.9258 122.3188 58.0891 41.9699 178.9003 115 K 4.1346 8.3854 119.6889 59.7701 31.9136 178.5273 116 Q 4.2990 8.0293 120.2215 58.3448 29.1874 177.6800 117 Q 4.1351 8.2001 120.8783 59.3449 29.2263 178.5314 118 V 3.6112 7.8302 119.0455 66.0620 30.9853 178.1260 119 S 4.6497 8.7332 115.5301 61.2766 62.3766 176.8100 120 G 3.6704 7.8917 108.1354 47.5309 0.0000 174.8685 121 L 4.3406 7.7130 119.6825 55.5405 42.5188 177.2243 122 E 4.4498 8.5608 116.8687 55.5978 29.6445 177.6563 123 G 4.2851 7.6165 105.0453 46.1744 0.0000 172.9396 124 V 3.4778 7.9063 121.3713 63.4891 30.7625 172.8068 125 Q 3.3027 8.7903 125.2429 55.6614 26.3122 174.1130 126 D 3.6224 8.7354 119.2158 53.6469 39.0448 176.5372 127 D 4.6345 7.6989 117.2072 53.2623 40.8371 176.5332 128 L 4.3691 8.4924 120.9608 55.6986 42.5255 176.0742 129 F 5.5079 7.8376 112.8236 54.8572 40.0234 175.3180 130 W 5.5091 9.5915 131.4454 56.4216 34.5680 172.7465 131 L 5.0049 7.8716 126.8035 53.1550 43.0820 175.9148 132 T 3.9298 8.4259 112.9425 60.5990 71.9476 172.3666 133 F 4.9341 8.7040 124.2244 59.7286 40.9334 175.7068 134 E 3.8166 7.7049 118.7887 56.5016 29.5519 178.2802 135 G 3.9105 8.3473 108.7402 44.9636 0.0000 174.2757 136 K 4.6373 7.3365 118.5745 53.7449 34.7363 175.0469 137 P 4.1574 0.0000 0.0000 62.9113 31.7428 177.1159 138 L 3.1910 7.5184 120.7459 54.1757 40.7888 173.5047 139 E 4.5550 7.9136 118.2732 54.9196 29.0829 176.8203 140 D 4.6708 8.6476 123.7180 54.8591 39.9931 177.6327 141 Q 4.0789 8.1590 120.9071 58.3746 29.3347 175.8084 142 L 4.6734 7.8825 117.4586 52.3379 43.8683 174.2646 143 P 4.5765 0.0000 0.0000 62.3613 32.0326 177.9853 144 L 4.3105 9.2735 121.4780 57.1551 42.1855 179.8924 145 G 3.7170 8.3238 108.1486 48.6978 0.0000 175.5031 146 E 3.8083 7.5484 117.5602 58.5938 29.5765 177.5863 147 Y 4.6320 7.7513 114.4546 59.0774 39.4957 176.5620 148 G 3.9368 8.9703 107.9436 44.7403 0.0000 174.9544 149 L 3.9493 7.5373 121.1155 58.2727 40.3706 177.8633 150 K 4.2180 7.6473 118.6401 55.0345 32.0946 176.0292 151 P 4.6704 0.0000 0.0000 63.8767 31.3957 176.9669 152 L 4.3191 7.5498 116.6616 54.3523 42.1673 176.1800 153 S 3.7019 7.9543 115.4455 58.9140 62.6649 173.1496 154 T 5.0880 8.1201 125.0580 61.5594 67.9424 173.7603 155 V 3.7274 7.5373 126.4034 62.3447 33.2595 174.3196 156 F 4.8962 8.9708 127.6372 56.3727 40.4662 174.9380 157 M 4.4618 9.2612 125.7319 55.8214 32.6905 174.7699 158 N 5.3060 9.1232 124.3464 51.6541 41.7252 174.0845 159 L 5.2679 8.3078 120.4642 52.8978 44.5467 176.5750 160 R 4.2117 9.2240 123.3798 56.6535 29.6734 175.9696 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 86 D 8.35 4.64 0.00 2.80 2.83 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 87 E 7.70 4.53 0.00 2.14 2.09 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 2.23 2.42 0.00 88 P 0.00 4.87 0.00 2.07 2.12 0.00 3.48 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.06 0.00 89 L 8.96 4.39 0.00 1.65 1.56 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 90 S 8.71 5.13 0.00 3.93 3.74 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 91 I 8.25 4.64 1.88 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.12 0.87 0.00 0.00 92 L 8.01 4.98 0.00 1.66 1.44 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 93 V 9.27 5.17 1.92 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 1.00 0.00 0.00 0.63 0.00 0.00 94 R 8.24 4.85 0.00 1.93 1.93 0.00 3.43 0.00 0.00 3.71 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.88 0.00 95 N 9.40 4.43 0.00 2.73 2.82 0.00 0.00 6.72 7.77 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 96 N 9.34 4.08 0.00 2.91 2.97 0.00 0.00 6.74 7.17 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 97 K 9.36 4.67 0.00 1.74 1.92 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.34 1.36 7.81 98 G 8.25 4.42 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 0.00 99 R 8.66 4.10 0.00 2.02 2.08 0.00 2.96 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 100 S 8.46 4.75 0.00 3.89 3.88 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 0.00 101 S 8.89 4.70 0.00 3.92 3.55 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 0.00 102 T 8.35 4.72 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 1.23 0.00 0.00 103 Y 9.17 4.54 0.00 2.84 2.83 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 0.00 104 E 8.86 4.38 0.00 1.86 1.93 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 2.24 2.30 0.00 105 V 8.51 4.53 2.20 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 0.69 0.00 0.00 0.97 0.00 0.00 106 R 7.98 5.31 0.00 1.69 2.10 0.00 3.55 0.00 0.00 3.30 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.49 0.00 107 L 8.75 4.31 0.00 1.50 1.70 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 108 T 8.75 4.02 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 1.24 0.00 0.00 109 Q 7.58 4.19 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 110 T 8.13 4.75 4.56 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 1.28 0.00 0.00 111 V 8.16 3.71 2.23 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 1.08 0.00 0.00 1.16 0.00 0.00 112 A 8.10 4.09 1.46 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 0.00 113 H 8.12 4.16 0.00 3.34 3.41 0.00 5.63 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.93 3.98 0.00 1.97 1.93 0.81 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.39 4.13 0.00 2.13 2.11 0.00 1.46 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.61 1.68 7.81 116 Q 8.03 4.30 0.00 2.22 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.70 0.00 0.00 0.00 0.00 0.00 2.39 2.25 0.00 117 Q 8.20 4.14 0.00 2.33 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.66 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 118 V 7.83 3.61 2.43 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 0.53 0.00 0.00 0.99 0.00 0.00 119 S 8.73 4.65 0.00 4.09 4.05 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 0.00 0.00 0.00 120 G 7.89 3.67 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 0.00 121 L 7.71 4.34 0.00 1.58 1.63 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.56 4.45 0.00 1.85 1.45 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 2.09 2.07 0.00 123 G 7.62 4.29 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 0.00 124 V 7.91 3.48 2.13 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 0.80 0.00 0.00 0.99 0.00 0.00 125 Q 8.79 3.30 0.00 2.37 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.87 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 126 D 8.74 3.62 0.00 2.44 2.75 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 0.00 127 D 7.70 4.63 0.00 2.62 2.61 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 L 8.49 4.37 0.00 2.11 1.84 1.01 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 129 F 7.84 5.51 0.00 3.09 3.06 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 W 9.59 5.51 0.00 3.13 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 L 7.87 5.00 0.00 1.16 1.29 1.12 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 132 T 8.43 3.93 4.19 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 0.00 0.00 0.77 0.00 0.00 133 F 8.70 4.93 0.00 2.94 2.78 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 E 7.70 3.82 0.00 1.69 1.64 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 1.47 1.47 0.00 135 G 8.35 3.91 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 0.00 136 K 7.34 4.64 0.00 1.69 1.63 0.00 1.60 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.31 7.81 137 P 0.00 4.16 0.00 2.73 2.65 0.00 3.92 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 138 L 7.52 3.19 0.00 1.71 1.33 0.88 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 139 E 7.91 4.55 0.00 2.30 2.03 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 2.42 2.40 0.00 140 D 8.65 4.67 0.00 2.99 3.04 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 0.00 141 Q 8.16 4.08 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 142 L 7.88 4.67 0.00 2.10 1.59 1.04 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 143 P 0.00 4.58 0.00 2.17 2.03 0.00 3.56 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 144 L 9.27 4.31 0.00 1.88 1.73 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 145 G 8.32 3.72 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 0.00 146 E 7.55 3.81 0.00 1.29 1.47 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 2.16 2.20 0.00 147 Y 7.75 4.63 0.00 3.04 3.06 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 0.00 148 G 8.97 3.94 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 0.00 149 L 7.54 3.95 0.00 1.74 2.13 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 150 K 7.65 4.22 0.00 1.89 1.79 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.48 1.45 7.81 151 P 0.00 4.67 0.00 2.02 2.08 0.00 3.70 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 152 L 7.55 4.32 0.00 1.64 1.70 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 153 S 7.95 3.70 0.00 3.53 3.54 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 0.00 154 T 8.12 5.09 4.03 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 0.70 0.00 0.00 155 V 7.54 3.73 1.84 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 0.99 0.00 0.00 0.60 0.00 0.00 156 F 8.97 4.90 0.00 3.14 2.93 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 0.00 157 M 9.26 4.46 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.75 0.00 158 N 9.12 5.31 0.00 2.88 2.74 0.00 0.00 6.76 6.54 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 0.00 159 L 8.31 5.27 0.00 1.55 1.62 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 160 R 9.22 4.21 0.00 1.85 1.85 0.00 3.39 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00