NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3672 8.3344 116.8129 58.0607 64.2335 172.7378 2 M 3.9941 8.5099 120.9219 54.1891 31.4790 170.2358 3 V 4.5084 8.8053 126.3008 59.2200 35.7631 175.2954 4 S 4.6286 8.1475 118.5075 56.4360 65.7218 173.5139 5 P 4.0153 0.0000 0.0000 66.1540 30.6367 178.3038 6 E 3.7664 7.9366 118.1947 59.1563 29.6685 178.1406 7 E 3.6171 7.9339 118.4721 59.0703 29.2965 178.5140 8 A 3.2246 7.0842 119.6520 55.0903 18.8744 179.8853 9 V 4.3404 7.8072 112.3692 63.8929 31.4490 179.0131 10 K 4.1541 8.0847 118.5594 59.0650 31.6523 179.3212 11 W 4.6265 8.1623 118.5854 59.0979 29.0386 177.7371 12 G 4.1579 8.0385 103.7008 44.4540 0.0000 173.6505 13 E 4.5367 8.1418 117.1045 56.9143 31.9035 175.8956 14 S 4.6680 8.3318 118.0999 56.2318 63.3763 174.4115 15 F 3.6685 8.6853 128.6726 61.1174 39.1339 176.2801 16 D 4.3605 8.1934 117.2056 57.0732 41.1536 177.9733 17 K 4.1191 7.8678 119.9745 58.9995 32.1559 178.4403 18 L 2.6019 7.4642 120.7368 57.4907 41.7009 178.7812 19 L 3.5427 7.0109 118.6431 58.3098 42.1671 178.9363 20 S 4.3162 8.1509 113.9242 60.2636 63.0445 174.2720 21 H 4.3834 7.6216 122.3607 55.4386 30.2208 175.7180 22 R 3.9743 8.8348 126.6577 59.8403 29.8645 178.6296 23 D 4.6072 8.2527 118.0987 57.1409 40.9173 178.9852 24 G 2.5426 7.5241 107.0644 46.7331 0.0000 175.1520 25 L 3.8118 7.9417 123.9123 57.7354 41.9731 178.5613 26 E 3.9015 8.2276 118.6418 59.4539 29.6306 178.6720 27 A 4.1794 8.0987 120.6469 55.2063 18.4620 179.4404 28 F 3.9378 8.6753 119.6120 61.5969 39.4450 177.4109 29 T 3.7897 8.2685 113.0158 65.1233 66.9240 176.4292 30 R 3.9492 7.9051 119.0899 59.1588 30.4140 178.5410 31 F 4.3104 8.3454 120.4332 61.3270 39.6452 177.0267 32 L 3.8027 8.2595 119.9536 57.5752 41.7309 178.9751 33 K 4.0417 8.0025 118.7462 59.4579 31.7041 178.9745 34 T 3.9659 7.6314 112.8368 63.7205 67.2242 174.3464 35 E 4.4492 7.5566 115.6339 55.0273 29.9795 175.3949 36 F 3.8546 8.1352 120.0420 59.7558 38.6164 176.2114 37 S 4.4144 7.8006 113.1495 58.7063 62.5373 175.5745 38 E 3.9076 7.8063 121.6527 58.9293 29.0916 178.3620 39 E 3.7204 7.1874 119.6385 59.3602 29.4134 178.5968 40 N 4.3816 7.9637 116.1114 56.4064 38.7737 177.2350 41 I 3.3290 7.6391 119.3848 64.1367 38.1064 177.5583 42 E 3.7473 8.1990 119.0110 58.4788 29.2843 178.7118 43 F 3.8792 7.9693 121.6740 61.0909 39.5004 177.0125 44 W 3.9086 7.7066 115.8286 58.6579 28.1634 178.3716 45 I 3.5728 6.7823 121.1247 64.2848 36.3632 178.0780 46 A 3.9095 7.8694 121.8373 55.1457 17.9975 179.5068 47 C 4.0138 7.5414 115.2420 62.8426 28.0834 176.1196 48 E 4.0287 8.2118 120.5028 59.2987 28.8254 178.7715 49 D 4.3302 7.8898 117.4758 57.0544 41.5291 177.7774 50 F 4.3121 8.5606 121.6423 61.2601 39.2687 177.1154 51 K 3.9059 8.1586 119.2646 58.3481 31.9642 178.1236 52 K 4.0608 7.6643 118.7738 57.5864 32.3685 176.9226 53 S 4.2944 7.0495 113.3964 58.4299 62.8062 173.5499 54 K 4.4312 8.3343 120.4047 55.5420 33.6219 176.7380 55 G 3.9218 7.7417 107.5426 42.8810 0.0000 172.6475 56 P 4.2808 0.0000 0.0000 65.5325 31.6104 178.7042 57 Q 3.9131 8.0328 115.5936 59.3296 28.5908 178.0947 58 Q 4.0615 7.9771 120.9534 58.7421 29.0375 177.8485 59 I 3.8305 8.0575 121.5852 64.8507 37.0642 178.0687 60 H 4.2499 8.0422 116.4796 58.7805 28.6129 177.9120 61 L 4.0691 7.9854 120.4744 57.7460 41.4131 179.7989 62 K 4.0761 8.8638 118.5301 59.5222 32.0789 179.2895 63 A 4.0978 8.5748 121.3114 55.2468 18.2819 179.8710 64 K 4.1614 8.5986 117.0427 59.3569 32.1069 179.4676 65 A 4.0415 8.1043 120.9697 55.4891 18.3826 179.7643 66 I 3.9631 8.1893 118.6261 65.0973 37.0387 177.3580 67 Y 4.3324 8.6254 120.8684 61.2526 38.3216 178.1180 68 E 3.6065 8.5346 120.8495 58.8624 30.0347 178.9107 69 K 4.0112 8.2585 119.3686 57.5988 31.7988 177.4488 70 F 4.5207 7.8237 114.7249 59.1023 41.2971 177.3178 71 I 3.7953 8.2292 120.0642 64.1929 37.0959 177.2435 72 Q 4.0211 7.5468 117.9927 56.0535 29.0063 176.7292 73 T 3.9630 8.2610 114.5016 64.5758 67.3590 174.2958 74 D 4.1595 7.5248 120.2467 50.8564 41.4676 174.6850 75 A 3.7191 7.8935 126.9785 50.6924 18.6928 176.0374 76 P 4.3554 0.0000 0.0000 64.4651 32.0542 177.3860 77 K 4.0208 7.3578 115.9221 57.7082 33.1184 174.1511 78 E 3.4761 7.8131 126.4527 55.8893 27.2182 172.9559 79 V 4.0101 7.6241 123.9216 61.8861 32.4246 176.1940 80 N 4.4941 8.1709 121.5923 53.4556 38.1290 175.3187 81 L 4.0872 7.3788 120.6540 54.5110 42.8481 176.8184 82 D 4.4878 8.7860 123.3531 54.8281 42.6765 177.2791 83 F 4.0786 8.8943 128.0226 61.8997 39.6478 176.8946 84 H 4.0574 8.5489 117.3009 59.4881 29.6639 177.1957 85 T 3.8684 8.4890 117.8367 66.5899 68.3859 176.9816 86 K 4.1129 8.2507 120.6327 59.4893 32.2991 178.8486 87 E 3.6373 8.0867 121.1526 59.2640 29.4999 178.8565 88 V 3.5346 7.5314 118.1652 66.0075 31.4733 178.0937 89 I 3.7137 7.8250 119.8155 64.5665 36.8106 178.4456 90 T 4.1987 8.2084 109.7188 64.7195 68.3893 175.6060 91 N 4.5287 7.6100 118.3481 55.5922 39.3559 176.5949 92 S 4.3220 8.0817 112.4913 58.9847 62.4019 174.8029 93 I 3.7225 7.3035 119.5765 63.0294 37.7466 176.3145 94 T 3.9308 7.1608 113.5244 65.2971 67.3398 174.4935 95 Q 4.4311 7.4335 119.1256 53.0563 28.4064 171.8404 96 P 4.1933 0.0000 0.0000 63.3613 32.2393 177.4528 97 T 4.3258 8.0214 111.5363 60.1160 70.1297 175.2010 98 L 3.7660 8.4621 122.6395 57.7715 42.3022 177.4167 99 H 4.8048 7.9057 115.7070 54.8436 29.5762 176.4202 100 S 4.0256 8.0239 115.9464 60.6037 62.9530 175.0159 101 F 4.9026 7.7867 118.1236 57.2944 39.1264 177.3231 102 D 4.5019 8.3099 124.9575 56.4287 38.8877 178.1680 103 A 3.9671 8.0237 121.4634 54.9674 18.5247 179.1598 104 A 4.1165 8.1856 118.8399 55.3757 18.5277 179.2741 105 Q 4.0016 8.6498 118.3508 59.5935 29.1349 178.7928 106 S 3.9761 8.0615 115.8441 62.0103 62.9213 176.5102 107 R 3.9075 8.3583 120.8740 59.5794 29.7803 179.1365 108 V 3.7317 8.4096 117.5825 66.2362 31.5836 177.5573 109 Y 3.9241 8.0162 119.4701 60.8027 38.6557 178.1203 110 Q 3.8860 8.1315 117.2682 57.8957 28.9147 178.1125 111 L 3.9822 7.8670 122.0203 58.2586 41.7369 179.0263 112 M 4.1909 8.2238 118.7049 58.7268 31.7087 177.6417 113 E 3.7296 7.7125 119.4580 59.5126 29.4245 178.7389 114 Q 4.0795 8.1694 119.2722 59.0673 28.6067 176.3632 115 D 4.6419 8.1718 119.6384 56.2902 41.9634 178.1075 116 S 4.1984 7.7733 114.9494 61.5591 63.2458 176.0381 117 Y 4.6867 8.8559 123.1119 60.5115 38.3841 177.7148 118 T 3.7816 7.8717 111.4793 64.8643 69.0749 176.7746 119 R 3.9672 7.6900 119.7223 58.4521 29.1249 178.4162 120 F 3.5222 8.0750 120.6794 61.0421 39.4365 176.8877 121 L 3.3641 7.5351 117.4814 56.1888 41.3820 177.6931 122 K 4.4217 7.1403 117.7565 55.7436 32.6331 176.1841 123 S 4.4693 7.4969 113.0243 58.0082 63.8241 174.9770 124 D 4.3290 8.6796 121.5709 56.5133 38.7380 178.8567 125 I 3.6543 7.6302 121.0696 64.6849 37.3052 177.5246 126 Y 3.8986 7.4491 119.8259 60.5221 38.5087 177.6960 127 L 3.9256 8.2059 120.2481 57.5657 41.3993 178.9802 128 D 4.2554 8.0183 117.7317 57.2594 41.2342 178.0308 129 L 4.0014 7.2815 118.2980 57.6884 41.5240 179.0018 130 M 3.9570 7.6839 118.8836 56.0983 31.7034 177.2316 131 E 4.0319 8.2526 115.9466 56.9514 28.7198 175.8741 132 G 3.5142 7.6879 108.9004 46.3736 0.0000 175.6468 133 R 4.5385 8.3374 111.9935 54.1533 33.0925 174.0994 134 P 4.4218 0.0000 0.0000 62.9510 31.6312 175.6365 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 4.37 0.00 4.04 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 2 M 8.51 3.99 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.62 0.00 3 V 8.81 4.51 2.28 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 1.07 0.00 0.00 0.20 0.00 0.00 4 S 8.15 4.63 0.00 3.77 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 5 P 0.00 4.02 0.00 2.14 2.20 0.00 3.61 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 6 E 7.94 3.77 0.00 1.98 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 2.30 2.32 0.00 7 E 7.93 3.62 0.00 1.86 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.47 0.00 8 A 7.08 3.22 0.97 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 9 V 7.81 4.34 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 1.20 0.00 0.00 0.96 0.00 0.00 10 K 8.08 4.15 0.00 1.95 1.93 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.67 1.61 7.81 11 W 8.16 4.63 0.00 3.82 3.31 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 0.00 12 G 8.04 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.14 4.54 0.00 2.12 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 2.29 2.43 0.00 14 S 8.33 4.67 0.00 3.98 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 15 F 8.69 3.67 0.00 2.60 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 16 D 8.19 4.36 0.00 2.92 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.87 4.12 0.00 1.95 2.12 0.00 1.89 0.00 0.00 1.91 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.87 1.66 7.81 18 L 7.46 2.60 0.00 1.47 1.16 0.35 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.01 3.54 0.00 1.26 1.67 0.86 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.15 4.32 0.00 3.85 3.92 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 21 H 7.62 4.38 0.00 3.45 3.15 0.00 5.61 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.83 3.97 0.00 1.93 1.99 0.00 3.33 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 23 D 8.25 4.61 0.00 3.26 3.02 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 24 G 7.52 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 0.00 0.00 0.00 25 L 7.94 3.81 0.00 1.79 1.76 0.89 0.88 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 26 E 8.23 3.90 0.00 2.31 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 2.37 2.44 0.00 27 A 8.10 4.18 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.68 3.94 0.00 2.75 2.85 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 0.00 0.00 0.00 29 T 8.27 3.79 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 1.32 0.00 0.00 30 R 7.91 3.95 0.00 1.96 2.06 0.00 3.44 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.95 0.00 31 F 8.35 4.31 0.00 3.39 3.33 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 32 L 8.26 3.80 0.00 1.46 1.53 0.69 0.24 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 33 K 8.00 4.04 0.00 2.07 1.85 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.62 1.63 7.81 34 T 7.63 3.97 4.08 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 0.00 0.00 0.89 0.00 0.00 35 E 7.56 4.45 0.00 2.03 1.87 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 1.94 2.21 0.00 36 F 8.14 3.85 0.00 3.20 3.09 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 0.00 0.00 0.00 37 S 7.80 4.41 0.00 3.88 3.85 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 0.00 0.00 0.00 38 E 7.81 3.91 0.00 2.06 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 2.15 2.03 0.00 39 E 7.19 3.72 0.00 1.53 1.77 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 0.00 2.18 2.38 0.00 40 N 7.96 4.38 0.00 3.01 3.01 0.00 0.00 6.74 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 41 I 7.64 3.33 2.01 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.32 0.83 0.00 0.00 42 E 8.20 3.75 0.00 2.02 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 2.16 2.27 0.00 43 F 7.97 3.88 0.00 3.17 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 44 W 7.71 3.91 0.00 3.47 3.26 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 45 I 6.78 3.57 1.52 0.00 0.00 0.51 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 -0.36 0.75 0.00 0.00 46 A 7.87 3.91 1.02 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 0.00 0.00 47 C 7.54 4.01 0.00 3.15 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 48 E 8.21 4.03 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 2.69 2.65 0.00 49 D 7.89 4.33 0.00 2.64 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 50 F 8.56 4.31 0.00 3.11 3.20 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 0.00 0.00 0.00 51 K 8.16 3.91 0.00 1.61 2.07 0.00 1.79 0.00 0.00 1.46 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.25 1.24 7.81 52 K 7.66 4.06 0.00 1.90 2.03 0.00 1.84 0.00 0.00 1.61 0.00 0.00 3.16 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.41 7.81 53 S 7.05 4.29 0.00 3.77 3.56 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 54 K 8.33 4.43 0.00 1.77 1.74 0.00 1.46 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 1.44 7.81 55 G 7.74 3.92 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 0.00 0.00 0.00 56 P 0.00 4.28 0.00 2.16 2.14 0.00 3.59 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 57 Q 8.03 3.91 0.00 2.32 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 58 Q 7.98 4.06 0.00 2.20 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.56 0.00 59 I 8.06 3.83 2.15 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.69 1.00 0.00 0.00 60 H 8.04 4.25 0.00 3.45 3.39 0.00 5.62 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 61 L 7.99 4.07 0.00 2.13 1.79 1.01 0.52 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 62 K 8.86 4.08 0.00 2.22 2.22 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.90 1.77 7.81 63 A 8.57 4.10 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.60 4.16 0.00 2.09 1.99 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.62 1.66 7.81 65 A 8.10 4.04 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 I 8.19 3.96 1.54 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.73 0.19 0.00 0.00 67 Y 8.63 4.33 0.00 3.22 3.14 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 0.00 0.00 0.00 68 E 8.53 3.61 0.00 1.99 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 2.36 2.71 0.00 69 K 8.26 4.01 0.00 1.80 1.93 0.00 1.53 0.00 0.00 1.72 0.00 0.00 2.72 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.42 1.15 7.81 70 F 7.82 4.52 0.00 3.41 3.05 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 71 I 8.23 3.80 2.20 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.07 1.12 0.00 0.00 72 Q 7.55 4.02 0.00 1.86 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.93 0.00 0.00 0.00 0.00 0.00 1.97 2.09 0.00 73 T 8.26 3.96 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 1.24 0.00 0.00 74 D 7.52 4.16 0.00 2.63 2.42 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 75 A 7.89 3.72 1.28 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 76 P 0.00 4.36 0.00 2.07 2.10 0.00 3.70 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.84 0.00 77 K 7.36 4.02 0.00 1.55 1.84 0.00 1.72 0.00 0.00 1.42 0.00 0.00 2.91 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.86 0.30 7.81 78 E 7.81 3.48 0.00 2.26 1.96 0.00 0.00 0.00 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 2.44 0.00 79 V 7.62 4.01 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.68 0.00 0.00 80 N 8.17 4.49 0.00 2.90 2.82 0.00 0.00 7.28 7.72 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 81 L 7.38 4.09 0.00 1.50 1.45 1.09 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.79 4.49 0.00 2.89 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.89 4.08 0.00 3.18 3.08 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 0.00 0.00 0.00 84 H 8.55 4.06 0.00 3.42 3.55 0.00 5.92 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.49 3.87 4.44 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 1.29 0.00 0.00 86 K 8.25 4.11 0.00 1.97 2.08 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.52 1.25 7.81 87 E 8.09 3.64 0.00 1.63 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 2.04 2.21 0.00 88 V 7.53 3.53 2.18 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 0.99 0.00 0.00 0.89 0.00 0.00 89 I 7.83 3.71 2.15 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.78 1.17 0.00 0.00 90 T 8.21 4.20 4.44 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 1.47 0.00 0.00 91 N 7.61 4.53 0.00 2.81 2.87 0.00 0.00 6.92 7.55 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 92 S 8.08 4.32 0.00 3.89 3.75 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 93 I 7.30 3.72 1.71 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 0.70 0.51 0.16 0.00 0.00 94 T 7.16 3.93 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 1.22 0.00 0.00 95 Q 7.43 4.43 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.69 0.00 0.00 0.00 0.00 0.00 2.20 2.35 0.00 96 P 0.00 4.19 0.00 2.16 1.86 0.00 3.38 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.86 0.00 97 T 8.02 4.33 4.23 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 0.00 0.00 0.00 1.18 0.00 0.00 98 L 8.46 3.77 0.00 1.66 1.72 0.72 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 99 H 7.91 4.80 0.00 3.17 3.27 0.00 5.69 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 S 8.02 4.03 0.00 3.40 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 0.00 101 F 7.79 4.90 0.00 3.03 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 0.00 102 D 8.31 4.50 0.00 2.90 3.13 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 0.00 103 A 8.02 3.97 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 0.00 104 A 8.19 4.12 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.65 4.00 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.46 5.78 0.00 0.00 0.00 0.00 0.00 2.28 2.53 0.00 106 S 8.06 3.98 0.00 4.04 3.85 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 0.00 0.00 0.00 107 R 8.36 3.91 0.00 2.05 2.01 0.00 3.34 0.00 0.00 3.13 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.86 0.00 108 V 8.41 3.73 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 1.22 0.00 0.00 109 Y 8.02 3.92 0.00 2.26 2.79 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 0.00 110 Q 8.13 3.89 0.00 2.31 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.61 0.00 0.00 0.00 0.00 0.00 2.34 2.83 0.00 111 L 7.87 3.98 0.00 1.91 1.79 1.00 0.69 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 0.00 112 M 8.22 4.19 0.00 2.34 2.29 0.00 0.00 0.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.11 2.72 0.00 113 E 7.71 3.73 0.00 1.17 1.73 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 2.12 2.14 0.00 114 Q 8.17 4.08 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.66 0.00 0.00 0.00 0.00 0.00 2.66 2.38 0.00 115 D 8.17 4.64 0.00 2.88 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 0.00 116 S 7.77 4.20 0.00 4.29 4.06 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 0.00 117 Y 8.86 4.69 0.00 3.19 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.87 3.78 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 1.32 0.00 0.00 119 R 7.69 3.97 0.00 2.10 2.36 0.00 3.19 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.10 0.00 120 F 8.07 3.52 0.00 3.15 3.28 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 0.00 121 L 7.54 3.36 0.00 1.54 1.37 0.32 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 122 K 7.14 4.42 0.00 1.59 1.76 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.39 7.81 123 S 7.50 4.47 0.00 4.10 4.01 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 0.00 124 D 8.68 4.33 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 I 7.63 3.65 1.58 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.92 0.97 0.00 0.00 126 Y 7.45 3.90 0.00 2.41 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 0.00 127 L 8.21 3.93 0.00 1.72 1.66 0.94 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 128 D 8.02 4.26 0.00 2.73 2.91 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 0.00 129 L 7.28 4.00 0.00 1.38 1.45 1.13 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 130 M 7.68 3.96 0.00 1.90 2.07 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.27 0.00 131 E 8.25 4.03 0.00 2.01 1.97 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 2.19 2.35 0.00 132 G 7.69 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 R 8.34 4.54 0.00 1.87 1.85 0.00 3.02 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 134 P 0.00 4.42 0.00 2.19 2.06 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00