NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.5108 8.4293 116.2196 55.1398 30.3378 173.2287 2 C 4.2014 7.6894 114.0369 56.8519 30.0404 172.1182 3 D 4.5555 8.3807 118.3277 55.1346 40.1521 175.4769 4 L 4.0812 8.0793 120.0018 57.1416 42.1889 175.6957 5 P 4.5986 0.0000 0.0000 62.3781 32.2292 175.5191 6 C 4.2477 8.5491 114.2141 58.1934 30.5597 174.9359 7 G 3.9667 8.3468 107.7254 45.0675 0.0000 172.8853 8 V 4.2784 7.1028 119.3108 61.1994 32.6859 174.3345 9 Y 4.7399 8.1374 123.5180 56.6856 42.1400 174.2821 10 D 3.8528 8.0647 119.5500 51.5398 44.1746 174.5599 11 P 4.0880 0.0000 0.0000 65.0149 31.1406 178.0635 12 A 3.9679 8.8554 120.3262 55.1393 17.5610 179.6459 13 Q 3.7639 8.0318 116.3763 59.0769 28.6864 178.8332 14 A 4.0667 7.8052 121.1573 55.1412 18.4487 179.4415 15 R 3.8310 8.1159 117.3608 59.7695 30.2135 178.8595 16 I 3.7750 8.0737 119.8849 64.3484 37.0290 178.3654 17 E 3.9947 8.0060 118.4870 59.3150 29.3334 179.1796 18 A 4.0395 8.3778 121.1514 55.1362 18.3041 179.5114 19 E 3.9693 8.6773 117.9268 59.5777 29.4335 179.7363 20 S 4.1100 8.2253 114.3911 61.2210 63.0495 176.5978 21 V 3.5427 7.9213 121.9194 65.8235 31.1891 178.0181 22 K 4.1482 8.1865 119.0111 59.3715 31.9688 178.5632 23 A 4.2646 8.2381 122.7368 54.5767 18.4028 179.7861 24 V 3.5325 8.1045 116.9385 66.2343 31.7395 178.1474 25 Q 4.0219 8.1996 117.7856 59.2080 28.1727 178.8975 26 E 4.0226 8.5406 119.7434 59.4262 29.4623 179.6109 27 K 4.2253 8.4530 118.3027 59.3233 31.8536 179.1757 28 M 4.3069 7.8141 117.8156 57.8348 31.8915 177.8867 29 A 4.3252 7.9401 119.4642 53.6120 18.7718 178.0775 30 G 3.7812 7.8924 104.8710 45.5121 0.0000 173.7593 31 N 4.4635 7.7362 118.4918 52.9711 40.1704 173.3137 32 D 4.6593 8.6207 125.0896 53.3788 40.3598 176.6240 33 D 4.3794 8.3623 121.1825 54.3844 42.0163 174.6275 34 P 4.2630 0.0000 0.0000 66.1493 31.4023 178.0000 35 H 4.1482 8.3453 116.3290 59.2136 29.7635 176.7955 36 F 4.0700 8.4349 121.9755 61.4730 39.2280 176.9187 37 Q 3.8898 8.4571 117.7970 59.3860 28.4598 179.3218 38 T 3.8235 8.1655 116.8169 66.6827 68.4295 177.0120 39 R 3.7624 7.9436 119.8141 59.0978 29.9420 178.9452 40 A 3.7148 7.6823 120.6143 55.3068 18.2903 179.8101 41 T 3.7172 7.7025 114.1422 66.6568 68.6257 176.9686 42 V 3.5214 7.8002 120.1112 66.2227 31.5038 178.2219 43 I 3.8895 7.9255 119.7412 64.0458 36.9302 178.1224 44 K 3.7984 8.1973 120.8268 59.5592 31.9364 178.2506 45 E 3.9030 8.1200 119.3078 59.4228 29.6277 178.8156 46 Q 3.9562 7.8574 117.4084 59.2207 28.7740 179.1810 47 R 3.9589 8.2768 118.9778 59.0291 30.0895 178.9565 48 A 3.9821 8.1800 120.7948 55.0676 18.3432 179.2988 49 E 3.8948 8.2060 117.8778 59.3885 29.6751 179.0558 50 L 3.9243 7.9236 118.7100 57.6757 41.6766 179.2611 51 A 4.0611 8.2336 120.8243 55.1405 18.2101 179.7959 52 K 3.9038 8.1661 116.9236 59.7602 32.0404 178.8726 53 H 4.0894 8.1755 118.4236 59.7760 29.7733 176.9396 54 H 4.2236 8.2536 117.9003 58.8804 28.6248 178.0419 55 V 3.6300 8.0015 120.0171 66.0140 31.3299 177.9249 56 S 4.3058 8.3980 113.2317 61.6075 62.1477 176.3721 57 V 3.7183 8.1706 121.1116 65.8733 31.1860 177.8546 58 L 3.9972 8.0947 118.8845 57.6569 41.2931 179.4066 59 W 4.7074 8.2272 126.6857 60.6953 30.8306 177.7812 60 S 4.0461 8.6357 113.2582 60.3836 62.8718 175.1278 61 D 4.7189 8.2896 120.9703 55.6644 41.8847 177.3033 62 Y 3.4901 7.4968 118.4644 59.9103 39.0905 175.6470 63 F 4.1298 7.8680 117.7767 57.1364 39.6771 174.7898 64 K 4.6487 7.9601 122.2374 53.0327 36.2143 175.2675 65 P 4.4541 0.0000 0.0000 65.8979 31.0634 177.1661 66 P 4.2444 0.0000 0.0000 65.7469 31.1021 178.4201 67 H 4.3546 7.9244 115.1752 58.9793 28.1569 177.9103 68 F 4.4667 7.6316 118.8850 60.1314 38.4797 177.2346 69 E 4.0532 7.8833 118.6883 59.0202 29.6280 178.2778 70 K 4.0311 8.0250 118.5505 57.8544 33.5912 176.3859 71 Y 4.8917 8.3243 117.2380 54.0196 37.6643 174.2288 72 P 4.5710 0.0000 0.0000 64.2458 31.7380 178.2063 73 E 4.2494 8.1963 116.3157 57.4371 30.4969 178.2859 74 L 4.0061 8.3854 122.8017 58.4662 42.0727 178.1843 75 H 4.3007 8.2747 115.7502 59.1908 28.6845 177.3148 76 Q 3.8664 8.0583 120.6025 58.9408 28.8266 177.7664 77 L 3.8652 8.0747 121.4965 58.1519 42.1535 179.1568 78 V 3.3945 7.7617 118.1951 65.8792 31.3089 177.4245 79 N 3.9760 7.7827 116.6844 56.7980 38.6787 176.6006 80 D 4.0397 8.1448 120.5498 57.3332 40.7600 178.9515 81 T 3.4936 7.5639 116.5734 66.4034 68.3650 176.7474 82 L 3.9341 7.7582 120.8422 57.7661 41.6576 179.7398 83 K 3.8716 8.1664 118.4108 59.3338 31.9128 179.2663 84 A 4.0475 8.1239 121.3474 55.2869 18.2000 179.3719 85 M 4.0338 8.0815 116.8431 58.6814 32.4219 178.5534 86 S 4.0784 8.3358 115.4733 61.6096 62.7633 176.5866 87 A 4.0296 7.9006 122.2565 54.9450 18.3784 179.2632 88 A 4.2346 8.1410 120.8667 54.4889 18.1971 179.6847 89 K 3.9001 8.0898 116.6700 59.7632 32.3375 178.9132 90 G 3.8821 7.6666 101.3872 44.3828 0.0000 173.1297 91 S 4.7594 7.2889 114.5897 56.3675 65.3402 173.8480 92 K 4.2519 8.4845 123.3430 56.5250 32.6493 176.2638 93 D 4.5486 8.2627 121.1667 52.8915 41.2841 175.1526 94 P 4.8817 0.0000 0.0000 64.7147 31.2718 178.2366 95 A 4.0447 8.5069 120.3894 55.2436 18.0409 179.7614 96 T 3.9986 8.2912 108.9549 64.8378 68.9886 177.1415 97 G 3.6771 8.2293 108.2377 47.6826 0.0000 175.2348 98 Q 3.9836 8.5065 122.3779 58.6056 29.0696 178.0821 99 K 3.8336 8.2367 120.5774 59.4531 32.1514 178.5850 100 A 4.2047 8.0253 120.8328 55.2779 18.2728 179.5833 101 L 3.9659 8.1551 117.4904 58.0463 41.7011 179.4796 102 D 4.3282 8.4861 119.2920 57.5255 40.6954 178.5022 103 Y 4.1998 8.0183 117.1948 61.2226 37.9175 178.4997 104 I 3.7865 8.2586 120.7835 64.4297 37.1328 178.3584 105 A 4.2359 8.3199 121.6650 55.1576 18.0267 179.7660 106 Q 3.9964 7.9875 116.3297 59.0861 28.7682 178.8887 107 I 3.7433 7.8903 120.9396 64.3880 37.1694 177.7701 108 D 4.4479 8.7132 119.2566 57.3602 41.0631 178.2557 109 K 4.0813 8.3720 119.9932 59.7370 32.2377 178.8315 110 I 3.4753 7.5996 119.7852 64.1164 36.7344 177.8404 111 F 3.9874 8.4675 120.7475 61.5420 39.4129 177.1665 112 W 4.2396 8.4773 118.0687 59.5056 28.8998 178.3619 113 E 4.1221 8.3822 119.0801 59.6802 28.7443 179.1391 114 T 4.1912 7.7242 107.7591 63.5506 69.1234 176.0753 115 K 4.1269 7.5437 120.2681 57.4812 32.4137 176.8041 116 K 4.2307 7.7343 123.4531 56.5419 32.1254 176.4786 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 H 8.43 4.51 0.00 3.23 3.30 0.00 5.47 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 C 7.69 4.20 0.00 3.11 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 3 D 8.38 4.56 0.00 2.87 2.84 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 0.00 0.00 0.00 0.00 4 L 8.08 4.08 0.00 1.60 1.75 0.91 0.97 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 5 P 0.00 4.60 0.00 2.28 2.09 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 6 C 8.55 4.25 0.00 3.00 2.99 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 7 G 8.35 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.10 4.28 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 0.86 0.00 0.00 0.90 0.00 0.00 9 Y 8.14 4.74 0.00 2.75 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.06 3.85 0.00 2.61 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 11 P 0.00 4.09 0.00 2.27 1.94 0.00 3.04 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.30 0.00 12 A 8.86 3.97 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.03 3.76 0.00 1.83 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 14 A 7.81 4.07 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 15 R 8.12 3.83 0.00 1.89 1.94 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 16 I 8.07 3.78 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.84 0.91 0.00 0.00 17 E 8.01 3.99 0.00 2.18 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 2.53 2.55 0.00 18 A 8.38 4.04 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 19 E 8.68 3.97 0.00 2.18 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 2.48 0.00 20 S 8.23 4.11 0.00 4.07 4.13 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 0.00 0.00 0.00 0.00 21 V 7.92 3.54 2.25 0.00 0.00 0.00 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 0.97 0.00 0.00 22 K 8.19 4.15 0.00 1.89 1.79 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.15 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.57 7.81 23 A 8.24 4.26 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 24 V 8.10 3.53 2.22 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 0.98 0.00 0.00 0.97 0.00 0.00 25 Q 8.20 4.02 0.00 2.32 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 26 E 8.54 4.02 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 2.49 0.00 27 K 8.45 4.23 0.00 2.12 2.15 0.00 1.77 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.66 7.81 28 M 7.81 4.31 0.00 2.08 2.33 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.51 0.00 29 A 7.94 4.33 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 30 G 7.89 3.78 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 0.00 0.00 0.00 31 N 7.74 4.46 0.00 2.23 2.08 0.00 0.00 7.05 8.47 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 32 D 8.62 4.66 0.00 2.85 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 33 D 8.36 4.38 0.00 2.90 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.26 0.00 2.23 2.13 0.00 3.70 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 35 H 8.35 4.15 0.00 3.25 3.61 0.00 5.87 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.43 4.07 0.00 3.12 3.22 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 0.00 37 Q 8.46 3.89 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.69 2.62 0.00 38 T 8.17 3.82 4.35 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 1.18 0.00 0.00 39 R 7.94 3.76 0.00 1.72 1.82 0.00 3.02 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 40 A 7.68 3.71 0.95 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 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.70 3.72 4.35 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 1.18 0.00 0.00 42 V 7.80 3.52 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 1.00 0.00 0.00 0.96 0.00 0.00 43 I 7.93 3.89 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.47 0.88 0.00 0.00 44 K 8.20 3.80 0.00 1.82 2.00 0.00 1.76 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.45 7.81 45 E 8.12 3.90 0.00 2.26 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 0.00 2.29 2.39 0.00 46 Q 7.86 3.96 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 47 R 8.28 3.96 0.00 1.81 2.09 0.00 3.28 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.78 0.00 48 A 8.18 3.98 1.35 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 0.00 0.00 49 E 8.21 3.89 0.00 2.20 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 2.29 2.38 0.00 50 L 7.92 3.92 0.00 1.96 1.68 0.92 0.63 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 51 A 8.23 4.06 1.42 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 52 K 8.17 3.90 0.00 2.01 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.63 7.81 53 H 8.18 4.09 0.00 3.25 3.41 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.25 4.22 0.00 3.38 3.31 0.00 5.67 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.00 3.63 2.10 0.00 0.00 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 1.03 0.00 0.00 56 S 8.40 4.31 0.00 4.06 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 57 V 8.17 3.72 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.88 0.00 0.00 58 L 8.09 4.00 0.00 2.12 1.84 0.84 0.50 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 59 W 8.23 4.71 0.00 3.45 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 60 S 8.64 4.05 0.00 3.98 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 61 D 8.29 4.72 0.00 3.02 2.99 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 62 Y 7.50 3.49 0.00 1.43 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.87 4.13 0.00 3.23 2.26 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 64 K 7.96 4.65 0.00 1.42 1.48 0.00 1.46 0.00 0.00 1.67 0.00 0.00 2.75 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.35 7.81 65 P 0.00 4.45 0.00 2.14 2.18 0.00 3.54 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 2.13 2.29 0.00 66 P 0.00 4.24 0.00 1.97 2.01 0.00 3.37 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.09 0.00 67 H 7.92 4.35 0.00 2.82 3.20 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 7.63 4.47 0.00 3.08 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 69 E 7.88 4.05 0.00 2.02 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 2.31 0.00 70 K 8.02 4.03 0.00 1.62 1.50 0.00 1.62 0.00 0.00 1.41 0.00 0.00 2.77 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.30 1.08 7.81 71 Y 8.32 4.89 0.00 3.09 2.88 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 72 P 0.00 4.57 0.00 2.21 2.22 0.00 3.44 0.00 0.00 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 73 E 8.20 4.25 0.00 2.19 2.29 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 2.42 2.30 0.00 74 L 8.39 4.01 0.00 1.82 1.95 0.62 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.27 4.30 0.00 3.23 3.31 0.00 5.68 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 76 Q 8.06 3.87 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 77 L 8.07 3.87 0.00 1.86 1.87 1.15 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 78 V 7.76 3.39 1.57 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 0.53 0.00 0.00 1.01 0.00 0.00 79 N 7.78 3.98 0.00 2.60 2.70 0.00 0.00 7.26 7.95 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 80 D 8.14 4.04 0.00 2.41 1.88 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 81 T 7.56 3.49 4.25 0.00 0.00 0.00 0.00 0.00 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 82 L 7.76 3.93 0.00 1.69 1.62 0.77 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.17 3.87 0.00 1.77 1.78 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.45 7.81 84 A 8.12 4.05 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 M 8.08 4.03 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.80 0.00 86 S 8.34 4.08 0.00 4.04 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 87 A 7.90 4.03 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 88 A 8.14 4.23 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 89 K 8.09 3.90 0.00 1.96 2.01 0.00 1.69 0.00 0.00 1.92 0.00 0.00 3.20 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.61 7.81 90 G 7.67 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 0.00 0.00 0.00 91 S 7.29 4.76 0.00 3.86 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 92 K 8.48 4.25 0.00 1.79 1.83 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.41 7.81 93 D 8.26 4.55 0.00 2.67 2.56 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 94 P 0.00 4.88 0.00 2.20 2.10 0.00 3.94 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 95 A 8.51 4.04 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.29 4.00 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 97 G 8.23 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 98 Q 8.51 3.98 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 99 K 8.24 3.83 0.00 1.99 1.97 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.34 7.81 100 A 8.03 4.20 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.16 3.97 0.00 1.91 1.74 0.93 0.99 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 0.00 102 D 8.49 4.33 0.00 2.65 2.54 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 0.00 103 Y 8.02 4.20 0.00 3.20 2.90 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 0.00 104 I 8.26 3.79 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.76 0.94 0.00 0.00 105 A 8.32 4.24 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 0.00 106 Q 7.99 4.00 0.00 2.39 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 107 I 7.89 3.74 2.08 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 1.46 0.77 1.11 0.00 0.00 108 D 8.71 4.45 0.00 2.89 2.99 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 0.00 109 K 8.37 4.08 0.00 2.06 2.01 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.53 1.58 7.81 110 I 7.60 3.48 1.81 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.67 -0.09 0.00 0.00 111 F 8.47 3.99 0.00 2.91 3.01 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 0.00 0.00 0.00 112 W 8.48 4.24 0.00 3.57 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.38 4.12 0.00 2.32 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 2.46 2.65 0.00 114 T 7.72 4.19 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 1.36 0.00 0.00 115 K 7.54 4.13 0.00 2.03 1.95 0.00 1.54 0.00 0.00 1.17 0.00 0.00 2.71 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.57 0.74 7.81 116 K 7.73 4.23 0.00 1.97 1.77 0.00 1.82 0.00 0.00 1.80 0.00 0.00 3.15 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.67 7.81