NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4351 8.3349 115.4131 57.8875 64.5923 173.9225 2 K 4.1122 8.0828 119.3776 57.4709 32.8629 175.5607 3 T 4.3034 8.3948 116.8837 64.8502 71.4681 175.0976 4 N 4.4352 7.9465 120.3280 52.8954 39.7637 173.7076 5 P 4.3153 0.0000 0.0000 65.3844 31.4935 179.0590 6 R 3.8825 8.4703 117.4057 59.2524 30.1065 178.6377 7 L 4.0685 8.1381 119.5915 58.1221 42.0128 178.8812 8 S 4.0539 7.9589 113.0644 61.5747 62.3246 176.3840 9 S 4.1203 8.0937 117.8894 61.2494 62.4717 176.3059 10 L 3.8700 8.3718 123.4920 58.3137 41.8179 179.0221 11 I 3.6655 7.7379 119.3510 64.5554 37.0853 178.3498 12 A 4.0458 7.9642 121.2911 55.1601 18.2593 179.4790 13 D 4.2996 8.3333 117.8631 57.3905 40.7599 178.8920 14 L 3.8953 8.3004 120.0165 57.4933 41.5342 179.8647 15 K 3.9847 7.8212 118.1012 59.6346 32.1426 179.2492 16 S 4.1094 8.1348 113.1143 61.4633 61.8577 176.0646 17 A 4.1276 8.0068 122.6618 54.6968 18.0818 179.2784 18 A 4.2569 7.7814 118.1406 54.5738 18.5489 179.8170 19 R 4.1400 7.7438 116.2949 59.9140 30.5850 178.5865 20 S 4.2146 7.9119 113.9481 61.0685 62.7422 176.2563 21 S 4.4461 8.0890 116.4178 58.2742 63.6252 175.3435 22 G 3.7057 8.5725 108.6023 45.9789 0.0000 174.2904 23 G 3.9063 7.2174 108.5902 45.4625 0.0000 173.3976 24 A 4.5553 8.0873 121.5514 52.0435 21.6094 179.1145 25 V 3.4304 7.5143 109.0204 64.3181 31.4856 178.2201 26 W 5.0860 7.6725 118.3344 60.3133 28.9332 178.7132 27 G 3.6440 8.2216 104.8278 47.6639 0.0000 175.1070 28 D 4.3241 8.0107 120.2751 57.3006 41.3164 178.5851 29 V 3.6499 8.7425 119.5245 65.8375 31.6199 177.8354 30 A 4.0333 8.3515 120.9934 55.2735 17.8932 179.5254 31 E 4.1350 8.3417 117.1208 59.4342 29.2691 179.5234 32 R 3.9538 7.6773 117.7821 59.1588 30.2142 178.2253 33 L 3.8482 7.7921 118.1651 57.3932 41.6565 178.8939 34 E 4.1609 7.9402 117.7364 58.0489 29.5722 177.7010 35 K 4.2937 6.9498 117.1023 54.8267 33.0479 174.8023 36 P 4.2032 0.0000 0.0000 63.1717 31.9573 177.6642 37 R 3.4613 8.8107 121.2746 59.3458 30.1126 179.0786 38 R 3.9974 7.9237 112.8010 58.6015 29.4537 177.3394 39 T 4.2703 7.8744 107.8493 62.5750 69.5886 175.0670 40 H 4.2892 7.7671 119.4505 55.6736 29.4623 174.9479 41 A 4.1944 8.1672 124.3155 52.4322 19.6041 176.9682 42 E 4.8128 8.6564 119.6340 54.7029 31.6641 174.1562 43 V 4.4216 8.6854 124.3757 61.0020 33.9158 174.8312 44 N 5.3792 8.4599 124.1999 51.3720 40.6086 176.1474 45 L 4.1541 8.6986 120.1856 57.9212 40.9712 180.1264 46 G 3.6363 8.1417 105.4132 47.7641 0.0000 175.4366 47 R 4.0202 7.7826 120.0314 58.9950 30.1375 178.6065 48 I 3.7733 7.6894 119.3253 64.4046 37.0026 177.8481 49 E 3.9545 8.1614 119.0370 59.1001 29.4579 178.4347 50 R 3.8915 7.2763 117.1341 58.0098 30.1766 176.3050 51 Y 4.7570 7.4035 112.5207 57.3587 39.2377 175.3003 52 A 4.6787 7.8653 123.4729 51.0209 20.4568 176.8872 53 Q 4.6152 8.0848 116.1283 53.9600 31.7777 174.6506 54 E 3.9369 8.6258 119.6465 58.2351 29.9704 177.0946 55 D 4.5355 8.8999 120.1431 54.4361 38.4457 173.1921 56 E 4.7549 7.7074 120.4626 54.3432 31.8796 175.6690 57 T 4.2819 8.6359 125.2057 63.5880 69.8330 174.0830 58 V 4.3067 8.8026 127.6715 62.5999 33.1251 174.7710 59 V 4.8606 9.0884 128.2124 61.2690 34.0395 174.2697 60 V 4.7650 9.1495 129.7548 59.1683 32.8238 174.7042 61 P 4.6604 0.0000 0.0000 60.6395 30.2230 175.0194 62 G 4.2807 7.0222 116.5186 47.6529 0.0000 174.9669 63 K 4.9958 9.2652 127.2198 54.1940 35.7381 173.9381 64 V 4.7119 8.1428 126.2711 61.5648 33.3213 174.8304 65 L 4.9137 9.6973 128.3675 52.7272 44.7176 176.8449 66 G 4.1109 8.5341 106.7549 46.9762 0.0000 173.9474 67 S 4.4631 8.3259 116.9171 58.9620 64.4584 175.3083 68 G 3.9927 8.9644 109.7796 44.8190 0.0000 172.3029 69 V 4.3678 7.9302 116.9775 60.6102 33.8562 174.3402 70 L 4.8691 8.5047 127.8902 53.4426 44.0621 175.4512 71 Q 4.5094 9.8491 125.2694 56.7663 31.0550 176.8110 72 K 3.9868 8.2392 115.6289 57.1330 32.7543 176.7330 73 D 5.3743 8.4799 122.6543 52.3664 39.8518 175.1260 74 V 4.4861 7.7276 115.5046 59.3721 36.2127 174.4331 75 T 4.9293 8.3366 118.5296 62.2094 70.5771 173.7243 76 V 4.9116 8.9106 127.1422 61.0415 34.1917 174.0288 77 A 5.9400 9.7007 129.4636 49.5655 21.3998 175.0112 78 A 5.0310 8.3732 122.6272 49.4826 22.9239 176.8615 79 V 3.5409 8.3930 119.1472 66.2588 32.1259 175.4863 80 D 4.6485 7.1839 116.7040 53.6408 44.4407 174.2897 81 F 5.4533 8.8517 119.9506 55.3773 43.0196 175.1205 82 S 4.3870 8.9009 116.7272 57.8892 63.8055 175.5007 83 G 3.6813 8.8489 107.0497 48.4400 0.0000 176.0919 84 T 3.9629 7.9165 117.3218 66.0288 68.4921 176.5972 85 A 4.0156 7.9614 122.5312 55.3978 18.4677 179.3680 86 E 3.6638 8.2361 117.5409 59.4557 29.3130 179.3020 87 T 3.8963 7.2753 114.6853 66.4435 68.7851 176.7365 88 K 4.4076 8.1055 121.8236 59.0448 32.0076 179.5712 89 I 3.7654 8.0612 120.3645 64.3713 36.8647 177.8065 90 D 4.7534 7.5815 118.4298 55.5880 40.4162 178.0725 91 Q 4.1977 7.9139 119.4622 57.6115 28.9239 177.4633 92 V 4.5287 7.7139 110.4146 61.1002 34.6014 174.4941 93 G 4.1066 8.1451 111.5383 44.5992 0.0000 174.3699 94 E 5.1076 9.6473 126.8514 54.6179 33.2464 172.7818 95 A 4.8063 9.2128 129.7525 50.6805 20.2618 176.5302 96 V 4.6036 9.1975 122.3469 60.8729 35.6162 175.1012 97 S 5.0433 8.6339 120.3888 57.6620 64.2661 175.2658 98 L 3.9269 8.1737 122.6434 57.8503 40.7882 179.8476 99 E 3.9185 7.8508 118.2578 59.0348 29.2966 179.1196 100 Q 3.8751 8.2035 118.2090 58.3979 28.8999 177.9520 101 A 4.0254 7.9162 121.3370 55.6177 18.5417 179.4456 102 I 3.0434 7.2001 117.8320 64.1800 36.7598 178.2952 103 E 4.0671 7.2175 118.8967 59.1077 29.8346 177.8752 104 N 4.6815 8.3659 113.6786 54.0350 40.3380 175.3376 105 N 4.9651 7.9445 116.6665 52.5041 41.0291 173.0253 106 P 4.8029 0.0000 0.0000 64.5940 32.2469 178.2907 107 E 4.0725 8.5588 118.0773 56.6563 30.3829 175.9969 108 G 3.6055 7.9932 107.5916 46.3335 0.0000 172.9561 109 S 4.5694 8.1742 111.2006 57.4841 66.3604 174.0599 110 H 4.0107 8.3493 116.0060 57.4894 25.9287 174.5418 111 V 4.9674 7.3730 116.1211 59.8246 34.9256 176.3669 112 R 4.4765 8.9973 122.8885 54.4500 32.7912 174.3594 113 V 4.3832 8.4398 127.2894 62.8402 32.2503 175.1500 114 I 4.7810 8.8728 128.4059 59.3763 40.9062 175.9873 115 R 4.1816 8.4420 121.9260 56.3873 29.5299 174.8701 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 1 S 8.33 4.44 0.00 3.99 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 0.00 2 K 8.08 4.11 0.00 1.85 1.78 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.45 1.48 7.81 3 T 8.39 4.30 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 4 N 7.95 4.44 0.00 2.75 2.71 0.00 0.00 7.23 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.32 0.00 2.19 2.08 0.00 3.65 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 6 R 8.47 3.88 0.00 1.90 1.96 0.00 3.14 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 7 L 8.14 4.07 0.00 1.75 1.83 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.96 4.05 0.00 4.12 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.09 4.12 0.00 4.02 3.87 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 10 L 8.37 3.87 0.00 1.66 1.82 0.87 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.74 3.67 2.05 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 1.45 1.11 0.91 0.00 0.00 12 A 7.96 4.05 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.33 4.30 0.00 2.76 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.30 3.90 0.00 1.84 1.94 0.92 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.82 3.98 0.00 1.99 1.87 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.63 7.81 16 S 8.13 4.11 0.00 3.90 3.98 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 0.00 0.00 0.00 17 A 8.01 4.13 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 18 A 7.78 4.26 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 19 R 7.74 4.14 0.00 1.84 2.01 0.00 3.19 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 20 S 7.91 4.21 0.00 3.95 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.09 4.45 0.00 4.29 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 22 G 8.57 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 7.22 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 24 A 8.09 4.56 1.19 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 0.00 0.00 0.00 25 V 7.51 3.43 1.58 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 0.64 0.00 0.00 -0.24 0.00 0.00 26 W 7.67 5.09 0.00 3.33 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.22 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.01 4.32 0.00 3.07 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 8.74 3.65 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.12 0.00 0.00 30 A 8.35 4.03 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.34 4.13 0.00 2.19 2.02 0.00 0.00 0.00 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 2.42 0.00 32 R 7.68 3.95 0.00 1.77 2.07 0.00 3.47 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 33 L 7.79 3.85 0.00 1.65 1.68 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.94 4.16 0.00 2.25 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 2.36 2.43 0.00 35 K 6.95 4.29 0.00 1.98 1.78 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.59 7.81 36 P 0.00 4.20 0.00 2.16 1.99 0.00 3.64 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 2.12 2.14 0.00 37 R 8.81 3.46 0.00 1.78 1.91 0.00 3.10 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 38 R 7.92 4.00 0.00 1.90 2.05 0.00 3.01 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 39 T 7.87 4.27 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 40 H 7.77 4.29 0.00 3.25 3.26 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.17 4.19 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.66 4.81 0.00 1.80 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.46 0.00 43 V 8.69 4.42 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 1.01 0.00 0.00 0.94 0.00 0.00 44 N 8.46 5.38 0.00 2.70 2.97 0.00 0.00 7.63 6.74 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 45 L 8.70 4.15 0.00 1.86 1.74 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.14 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.78 4.02 0.00 1.98 2.00 0.00 3.25 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 48 I 7.69 3.77 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.56 0.96 0.00 0.00 49 E 8.16 3.95 0.00 1.92 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 0.00 2.43 2.30 0.00 50 R 7.28 3.89 0.00 1.68 1.31 0.00 2.42 0.00 0.00 2.93 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 1.28 0.00 51 Y 7.40 4.76 0.00 2.93 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.87 4.68 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.08 4.62 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.99 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 54 E 8.63 3.94 0.00 1.99 1.94 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 2.50 2.35 0.00 55 D 8.90 4.54 0.00 2.84 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.71 4.75 0.00 1.92 2.02 0.00 0.00 0.00 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 2.37 0.00 57 T 8.64 4.28 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 58 V 8.80 4.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.99 0.00 0.00 59 V 9.09 4.86 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 1.14 0.00 0.00 1.09 0.00 0.00 60 V 9.15 4.77 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.93 0.00 0.00 61 P 0.00 4.66 0.00 2.13 2.23 0.00 3.96 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 62 G 7.02 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 9.27 5.00 0.00 1.71 1.57 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 1.35 7.81 64 V 8.14 4.71 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 1.06 0.00 0.00 0.78 0.00 0.00 65 L 9.70 4.91 0.00 1.62 1.55 0.93 0.74 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 66 G 8.53 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.33 4.46 0.00 4.02 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.96 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.93 4.37 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.93 0.00 0.00 70 L 8.50 4.87 0.00 1.60 1.52 1.01 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 9.85 4.51 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.60 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 72 K 8.24 3.99 0.00 1.75 1.77 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.45 1.78 7.81 73 D 8.48 5.37 0.00 2.84 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.73 4.49 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 0.77 0.00 0.00 0.97 0.00 0.00 75 T 8.34 4.93 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 1.27 0.00 0.00 76 V 8.91 4.91 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.03 0.00 0.00 77 A 9.70 5.94 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.37 5.03 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.39 3.54 2.17 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 0.71 0.00 0.00 0.88 0.00 0.00 80 D 7.18 4.65 0.00 2.78 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 F 8.85 5.45 0.00 2.84 2.94 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 82 S 8.90 4.39 0.00 3.96 4.04 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 83 G 8.85 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.92 3.96 4.27 0.00 0.00 0.00 0.00 0.00 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 85 A 7.96 4.02 1.58 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 0.00 0.00 86 E 8.24 3.66 0.00 1.96 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 0.00 2.17 2.03 0.00 87 T 7.28 3.90 4.38 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 1.20 0.00 0.00 88 K 8.11 4.41 0.00 1.94 1.87 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.52 7.81 89 I 8.06 3.77 1.88 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.82 0.91 0.00 0.00 90 D 7.58 4.75 0.00 2.64 2.67 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 91 Q 7.91 4.20 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.69 0.00 92 V 7.71 4.53 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 0.88 0.00 0.00 0.96 0.00 0.00 93 G 8.15 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 94 E 9.65 5.11 0.00 2.02 1.75 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 2.17 2.23 0.00 95 A 9.21 4.81 0.56 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 0.00 0.00 0.00 96 V 9.20 4.60 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.94 0.00 0.00 97 S 8.63 5.04 0.00 4.10 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 0.00 98 L 8.17 3.93 0.00 1.68 1.64 1.01 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 99 E 7.85 3.92 0.00 2.03 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 2.28 2.31 0.00 100 Q 8.20 3.88 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 101 A 7.92 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.20 3.04 1.53 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 0.43 0.62 0.00 0.00 103 E 7.22 4.07 0.00 1.73 2.08 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 0.00 2.30 2.32 0.00 104 N 8.37 4.68 0.00 2.75 2.89 0.00 0.00 6.86 7.58 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 0.00 105 N 7.94 4.97 0.00 2.89 2.98 0.00 0.00 6.84 7.75 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 0.00 106 P 0.00 4.80 0.00 2.31 2.33 0.00 3.51 0.00 0.00 4.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 107 E 8.56 4.07 0.00 2.14 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 2.39 0.00 108 G 7.99 3.61 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 0.00 0.00 0.00 109 S 8.17 4.57 0.00 3.94 3.80 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 0.00 110 H 8.35 4.01 0.00 3.35 3.36 0.00 5.55 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.37 4.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.83 0.00 0.00 112 R 9.00 4.48 0.00 2.16 1.81 0.00 3.14 0.00 0.00 3.08 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 113 V 8.44 4.38 2.04 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 0.86 0.00 0.00 0.88 0.00 0.00 114 I 8.87 4.78 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.10 0.99 0.00 0.00 115 R 8.44 4.18 0.00 1.85 1.82 0.00 3.05 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00