NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4134 8.1933 115.2883 58.0193 63.5443 173.4866 2 M 3.7572 8.7580 119.2295 58.1340 31.8617 176.3568 3 Q 4.0129 8.4386 117.4458 58.2938 29.9461 175.7193 4 D 4.6716 8.4357 117.9853 51.3834 42.3860 173.8684 5 P 4.2782 0.0000 0.0000 65.4780 32.2001 179.2275 6 I 3.8870 7.8806 119.2523 63.7687 37.5601 177.6539 7 A 4.1094 8.1655 122.4241 54.2421 18.6865 178.9506 8 D 4.2671 7.6072 115.4430 57.6091 41.2622 177.4145 9 M 4.1373 8.5645 118.4287 59.0180 32.2026 178.0033 10 L 3.8888 7.9054 118.0047 58.5389 42.0163 179.8793 11 T 3.9147 7.7034 112.0236 64.8631 67.0368 176.3945 12 R 3.9221 8.6928 121.2641 59.7314 30.2963 177.9576 13 I 3.7181 8.0981 119.6647 64.0499 37.0775 177.9576 14 R 3.8328 8.2709 119.0037 60.1339 30.0696 178.5656 15 N 4.5236 8.8005 116.2733 55.9920 38.4223 177.4403 16 G 3.6201 8.3242 107.8602 47.7921 0.0000 175.3025 17 Q 3.9059 8.2404 120.2603 58.6226 28.6020 179.2008 18 A 4.0073 7.6208 119.7176 55.1747 18.4492 178.8048 19 A 4.4811 7.7223 115.8774 51.0671 19.1346 176.6262 20 N 5.1806 8.6146 114.6161 53.9517 37.0099 174.3679 21 K 4.1389 8.0732 118.7599 56.1891 32.6726 176.3408 22 A 4.4825 8.5938 126.8069 52.7669 19.8032 176.0397 23 A 4.8502 7.8696 116.9447 49.8145 21.8950 175.7641 24 V 4.5095 8.5445 122.0692 61.3257 34.9127 174.7503 25 T 5.4320 9.9334 117.2811 59.0078 71.8826 172.2806 26 M 4.5136 8.6064 122.5496 53.8010 31.6733 172.9324 27 P 4.4259 0.0000 0.0000 63.7374 31.9466 175.7222 28 S 4.7006 8.7878 118.7035 57.5380 63.9318 173.0240 29 S 4.7319 8.2740 117.7115 55.6907 65.7523 174.7500 30 K 3.9064 8.8542 123.8654 59.5083 31.8284 179.3297 31 L 3.9472 8.0124 120.3428 58.1467 42.0209 178.8058 32 K 3.8605 8.0535 118.0387 60.1422 32.0316 178.2198 33 V 3.4451 7.8341 117.2474 66.4450 31.4388 177.5397 34 A 4.0050 7.9588 119.8343 55.6916 18.2440 179.6855 35 I 3.7330 7.8184 117.6416 64.4590 37.3423 178.1955 36 A 4.0439 8.2841 121.7060 55.4199 18.1079 179.0997 37 N 4.1364 8.6398 115.7041 57.0542 38.7756 177.3260 38 V 3.7009 7.4191 118.4196 65.8847 31.5524 177.8301 39 L 4.3049 8.1442 118.8823 58.3593 41.3748 178.7557 40 K 4.3128 8.7932 120.2916 59.0324 31.9848 177.7780 41 E 4.5854 8.9378 121.1495 56.4618 30.7958 177.2692 42 E 4.4590 7.5989 111.6766 55.3849 31.7780 176.8475 43 G 3.8121 9.1495 109.6354 45.2880 0.0000 175.5012 44 F 4.4175 7.9416 118.0234 59.4138 39.1475 174.7896 45 I 4.5927 7.0120 113.1417 59.6311 40.3171 175.0376 46 E 4.2186 9.4199 124.8152 58.0680 29.7406 176.2499 47 D 4.6323 7.6079 116.3239 52.6087 41.9576 176.6810 48 F 4.7104 9.0654 114.6867 57.2211 38.1653 173.1179 49 K 3.8158 8.5589 121.7729 55.6994 33.3482 174.2604 50 V 4.4874 8.0749 126.3683 60.3917 31.6379 176.5570 51 E 4.5492 8.2415 130.7449 55.4092 28.6338 175.6324 52 G 4.2593 7.4899 106.1791 44.0938 0.0000 169.1219 53 D 4.7564 7.9675 115.3201 54.0591 44.0878 177.0858 54 T 4.3496 7.7166 118.0720 62.6624 68.9635 175.5026 55 K 4.5697 7.4787 119.2926 52.8787 32.4421 172.4641 56 P 4.0492 0.0000 0.0000 62.7607 32.4062 175.1779 57 E 4.6708 8.7354 125.1010 53.1494 29.9019 173.1513 58 L 4.3611 8.4859 125.5989 55.2764 43.5999 174.9925 59 E 5.0732 9.3730 126.5463 54.4925 32.5069 174.3848 60 L 4.9785 9.0150 126.6487 53.3465 45.1234 175.7516 61 T 4.6172 8.3204 119.7549 61.9213 69.5494 174.6058 62 L 4.6723 8.3631 126.8417 54.6168 42.9993 176.9136 63 K 4.9591 8.7027 118.9643 55.0478 35.9819 175.1810 64 Y 5.1406 8.7795 120.5042 56.3657 43.0377 173.0508 65 F 5.2609 8.8380 124.5330 58.6641 39.0071 179.7538 66 Q 4.4802 8.9180 125.1506 55.5668 27.8505 177.5107 67 G 3.9158 8.6747 113.9855 46.6867 0.0000 172.2458 68 K 4.5464 8.1265 118.6952 54.3565 36.4063 175.5975 69 A 4.2615 8.0353 123.2255 51.2196 19.6449 177.7104 70 V 3.7001 7.7656 118.6002 65.4040 31.6520 176.4026 71 V 4.0171 7.4578 119.7748 61.5224 30.3109 174.7362 72 E 4.1019 8.9069 128.9539 58.6739 29.8328 177.2943 73 S 4.5631 7.3662 110.0608 57.5566 66.0826 174.1344 74 I 4.6887 8.2569 122.1250 59.8214 39.3995 173.2016 75 Q 4.6342 8.8050 127.9061 53.9279 31.1188 174.7713 76 R 4.3850 8.4336 123.6522 55.5211 31.2683 173.6527 77 V 4.0424 7.6858 122.9503 62.3855 31.9837 178.8354 78 S 4.1610 6.6994 109.7528 58.2769 62.3495 172.2907 79 R 4.7892 8.5139 122.0362 53.5460 32.7264 174.2712 80 P 3.8022 0.0000 0.0000 65.7265 31.0765 177.7678 81 G 3.7554 7.9478 106.4021 47.5407 0.0000 174.0313 82 L 4.5165 8.2796 121.0138 54.0464 43.8452 173.6997 83 R 4.0019 7.9272 120.7151 55.7417 31.2367 176.3931 84 I 4.3878 8.3437 121.7774 59.7377 40.6920 173.9243 85 Y 5.1919 8.6046 124.2596 56.0787 40.6268 175.2736 86 K 4.7304 8.7028 122.4976 54.8772 35.6849 177.2330 87 R 3.9175 8.8302 121.3452 56.5282 31.0638 178.9169 88 K 4.6577 7.5829 125.4383 58.4191 32.4757 176.4850 89 D 4.4646 8.1678 117.6499 55.6694 40.9035 176.3653 90 E 4.3980 8.0011 117.7699 55.6491 30.2927 175.4818 91 L 4.0847 7.4863 119.1032 54.7869 41.8053 174.9613 92 P 4.3883 0.0000 0.0000 62.0779 31.9583 175.5945 93 K 4.5576 8.3530 122.5299 54.5622 34.0879 176.2233 94 V 3.4375 8.2045 123.7872 63.8338 32.2560 175.4270 95 M 3.1092 9.3113 122.2278 56.8928 29.4250 176.9146 96 A 3.7212 8.8364 117.0624 51.9481 16.8659 177.1281 97 G 3.4690 8.1472 112.2352 46.9655 0.0000 175.3701 98 L 3.9404 7.4686 126.2190 57.8260 40.8273 177.1028 99 G 4.2049 9.0342 110.0653 44.6562 0.0000 170.5863 100 I 4.8695 8.3555 111.4404 59.0039 41.8866 173.9397 101 A 4.7848 8.4587 122.7350 50.5197 21.9227 175.8898 102 V 4.0398 8.6790 123.6255 63.9645 32.7650 175.8351 103 V 4.9464 9.0582 121.2290 59.5893 35.7011 174.4390 104 S 4.8560 9.0266 115.8994 56.9305 65.3070 172.8495 105 T 5.0810 8.8340 116.7582 59.3776 71.4889 174.1990 106 S 4.1742 8.9210 115.7938 60.7069 63.4601 175.3184 107 K 4.2941 7.5487 120.2957 54.9348 31.0401 175.3433 108 G 3.7714 7.8699 107.3076 44.9382 0.0000 171.2341 109 V 4.4698 7.8930 118.4260 61.7826 31.9336 174.4327 110 M 4.8372 8.1631 128.1085 53.6381 35.6039 175.1540 111 T 4.8472 8.1882 109.6556 61.0065 71.3530 176.0157 112 D 4.3032 8.8438 121.8679 56.7595 39.4138 178.4283 113 R 3.8361 8.1529 120.3060 59.2921 29.8537 177.5210 114 A 3.9612 7.7124 119.0490 55.0750 18.5726 179.3142 115 A 3.9227 8.4756 118.7834 55.0685 18.4164 179.7355 116 R 3.8053 8.4906 117.7626 59.7659 29.9825 178.4772 117 Q 4.0170 7.7958 116.2593 59.0700 28.9511 178.6792 118 A 4.2983 8.0962 117.6730 52.0982 18.2175 177.7641 119 G 3.8686 7.9076 105.6938 46.0442 0.0000 173.2659 120 L 4.8652 7.8022 118.4776 53.5471 43.4973 174.8169 121 G 4.6168 7.4781 104.6880 44.7138 0.0000 172.1369 122 G 4.7356 7.8553 104.7341 47.2031 0.0000 171.7303 123 E 4.9014 8.7820 123.2132 55.5290 31.6393 177.0093 124 I 4.4354 8.0846 121.1591 59.5962 37.0962 175.9258 125 I 3.7631 8.2831 131.5818 64.4614 38.3030 175.4812 126 C 4.6420 7.2740 114.0720 58.2237 32.0842 172.1824 127 Y 5.2979 8.2816 117.5083 56.6803 40.3289 175.3325 128 V 4.8080 8.5500 120.8731 61.4999 36.0995 174.8319 129 A 4.3474 8.0802 125.4862 52.3410 19.4303 176.0819 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 8.19 4.41 0.00 3.87 3.84 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 2 M 8.76 3.76 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.62 0.00 3 Q 8.44 4.01 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 4 D 8.44 4.67 0.00 2.61 2.49 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 5 P 0.00 4.28 0.00 2.25 2.28 0.00 3.74 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 6 I 7.88 3.89 1.92 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 1.33 1.22 0.88 0.00 0.00 7 A 8.17 4.11 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 8 D 7.61 4.27 0.00 2.88 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 9 M 8.56 4.14 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.63 0.00 10 L 7.91 3.89 0.00 1.82 1.70 0.86 0.41 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 11 T 7.70 3.91 4.41 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 1.25 0.00 0.00 12 R 8.69 3.92 0.00 1.91 1.95 0.00 3.50 0.00 0.00 3.47 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 13 I 8.10 3.72 2.08 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.56 0.89 0.00 0.00 14 R 8.27 3.83 0.00 1.85 2.12 0.00 3.08 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 15 N 8.80 4.52 0.00 2.81 2.86 0.00 0.00 7.00 7.51 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 16 G 8.32 3.62 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 0.00 0.00 0.00 17 Q 8.24 3.91 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 18 A 7.62 4.01 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 19 A 7.72 4.48 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 20 N 8.61 5.18 0.00 2.90 3.00 0.00 0.00 6.92 8.26 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 21 K 8.07 4.14 0.00 1.80 1.78 0.00 1.82 0.00 0.00 2.02 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.55 7.81 22 A 8.59 4.48 1.16 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 23 A 7.87 4.85 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 24 V 8.54 4.51 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 1.10 0.00 0.00 0.97 0.00 0.00 25 T 9.93 5.43 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 1.22 0.00 0.00 26 M 8.61 4.51 0.00 2.34 2.34 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.30 0.00 27 P 0.00 4.43 0.00 1.96 2.06 0.00 3.67 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 2.04 2.12 0.00 28 S 8.79 4.70 0.00 3.99 3.76 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 29 S 8.27 4.73 0.00 3.89 3.62 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 30 K 8.85 3.91 0.00 1.80 1.84 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.45 7.81 31 L 8.01 3.95 0.00 1.77 1.65 0.91 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.05 3.86 0.00 2.13 1.90 0.00 1.93 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.54 7.81 33 V 7.83 3.45 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 0.73 0.00 0.00 0.91 0.00 0.00 34 A 7.96 4.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.82 3.73 2.06 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.00 0.91 0.00 0.00 36 A 8.28 4.04 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 37 N 8.64 4.14 0.00 2.55 2.98 0.00 0.00 6.78 7.68 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 38 V 7.42 3.70 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 1.05 0.00 0.00 0.94 0.00 0.00 39 L 8.14 4.30 0.00 2.01 1.83 0.94 0.72 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 40 K 8.79 4.31 0.00 2.00 2.00 0.00 1.80 0.00 0.00 1.96 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.73 7.81 41 E 8.94 4.59 0.00 1.95 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 2.32 2.39 0.00 42 E 7.60 4.46 0.00 2.19 1.79 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 2.33 2.46 0.00 43 G 9.15 3.81 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 0.00 0.00 0.00 44 F 7.94 4.42 0.00 3.25 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 45 I 7.01 4.59 2.15 0.00 0.00 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 1.22 0.50 1.00 0.00 0.00 46 E 9.42 4.22 0.00 2.01 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 2.32 2.27 0.00 47 D 7.61 4.63 0.00 2.61 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 48 F 9.07 4.71 0.00 3.21 3.03 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 49 K 8.56 3.82 0.00 2.08 2.24 0.00 1.69 0.00 0.00 2.00 0.00 0.00 2.86 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.06 0.82 7.81 50 V 8.07 4.49 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 0.87 0.00 0.00 0.97 0.00 0.00 51 E 8.24 4.55 0.00 2.00 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 2.26 2.27 0.00 52 G 7.49 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 0.00 0.00 0.00 0.00 53 D 7.97 4.76 0.00 2.65 2.55 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 54 T 7.72 4.35 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 55 K 7.48 4.57 0.00 1.73 1.70 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.42 7.81 56 P 0.00 4.05 0.00 2.08 2.04 0.00 3.54 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 2.13 2.14 0.00 57 E 8.74 4.67 0.00 2.05 1.79 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 2.26 2.33 0.00 58 L 8.49 4.36 0.00 1.75 1.69 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 59 E 9.37 5.07 0.00 1.93 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 2.39 2.40 0.00 60 L 9.02 4.98 0.00 1.64 1.57 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.32 4.62 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 62 L 8.36 4.67 0.00 1.71 1.98 0.98 1.26 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 63 K 8.70 4.96 0.00 1.73 1.73 0.00 1.76 0.00 0.00 1.99 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.49 7.81 64 Y 8.78 5.14 0.00 2.97 2.97 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 65 F 8.84 5.26 0.00 2.90 2.40 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 66 Q 8.92 4.48 0.00 2.13 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.99 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 67 G 8.67 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 68 K 8.13 4.55 0.00 1.83 1.69 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.39 7.81 69 A 8.04 4.26 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 70 V 7.77 3.70 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 0.82 0.00 0.00 0.94 0.00 0.00 71 V 7.46 4.02 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 0.62 0.00 0.00 0.93 0.00 0.00 72 E 8.91 4.10 0.00 2.04 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 2.33 2.30 0.00 73 S 7.37 4.56 0.00 3.86 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 74 I 8.26 4.69 1.73 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.72 0.85 0.00 0.00 75 Q 8.81 4.63 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 76 R 8.43 4.39 0.00 1.76 1.75 0.00 3.32 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.50 0.00 77 V 7.69 4.04 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 0.54 0.00 0.00 -0.05 0.00 0.00 78 S 6.70 4.16 0.00 3.93 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 79 R 8.51 4.79 0.00 1.83 1.88 0.00 2.81 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.50 0.00 80 P 0.00 3.80 0.00 2.18 2.24 0.00 3.72 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 81 G 7.95 3.76 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 0.00 0.00 0.00 82 L 8.28 4.52 0.00 1.57 1.45 0.88 0.22 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 83 R 7.93 4.00 0.00 1.86 1.47 0.00 3.32 0.00 0.00 3.12 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 84 I 8.34 4.39 1.64 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.33 0.83 0.00 0.00 85 Y 8.60 5.19 0.00 2.77 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 86 K 8.70 4.73 0.00 1.80 1.71 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.46 7.81 87 R 8.83 3.92 0.00 1.89 1.94 0.00 3.24 0.00 0.00 3.23 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 88 K 7.58 4.66 0.00 1.96 2.05 0.00 1.51 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.25 1.23 7.81 89 D 8.17 4.46 0.00 2.68 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 90 E 8.00 4.40 0.00 1.94 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 2.24 2.33 0.00 91 L 7.49 4.08 0.00 1.96 1.65 1.03 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.39 0.00 2.33 2.20 0.00 3.79 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 93 K 8.35 4.56 0.00 1.84 1.83 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.35 7.81 94 V 8.20 3.44 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 0.96 0.00 0.00 0.56 0.00 0.00 95 M 9.31 3.11 0.00 2.10 2.38 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 96 A 8.84 3.72 1.31 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 0.00 0.00 97 G 8.15 3.47 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 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.47 3.94 0.00 1.67 1.68 0.92 0.97 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 99 G 9.03 4.20 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 0.00 0.00 0.00 100 I 8.36 4.87 1.98 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.91 1.01 0.00 0.00 101 A 8.46 4.78 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 0.00 102 V 8.68 4.04 2.06 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 0.93 0.00 0.00 0.94 0.00 0.00 103 V 9.06 4.95 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 0.81 0.00 0.00 1.00 0.00 0.00 104 S 9.03 4.86 0.00 3.85 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 0.00 105 T 8.83 5.08 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 1.24 0.00 0.00 106 S 8.92 4.17 0.00 3.99 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 0.00 107 K 7.55 4.29 0.00 1.82 1.81 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.35 7.81 108 G 7.87 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 109 V 7.89 4.47 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 0.93 0.00 0.00 0.93 0.00 0.00 110 M 8.16 4.84 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 111 T 8.19 4.85 4.30 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 1.27 0.00 0.00 112 D 8.84 4.30 0.00 2.97 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 0.00 113 R 8.15 3.84 0.00 1.91 2.03 0.00 3.19 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 114 A 7.71 3.96 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 0.00 115 A 8.48 3.92 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 0.00 116 R 8.49 3.81 0.00 2.10 2.10 0.00 3.17 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 117 Q 7.80 4.02 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 118 A 8.10 4.30 1.29 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 0.00 119 G 7.91 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 0.00 0.00 0.00 120 L 7.80 4.87 0.00 1.74 1.64 1.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 121 G 7.48 4.62 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 0.00 0.00 0.00 122 G 7.86 4.74 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 0.00 0.00 0.00 123 E 8.78 4.90 0.00 2.32 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 2.28 2.07 0.00 124 I 8.08 4.44 1.72 0.00 0.00 0.82 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 0.46 0.93 0.00 0.00 125 I 8.28 3.76 1.94 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.94 0.86 0.00 0.00 126 C 7.27 4.64 0.00 3.02 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Y 8.28 5.30 0.00 2.82 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 0.00 128 V 8.55 4.81 1.59 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 0.29 0.00 0.00 0.81 0.00 0.00 129 A 8.08 4.35 1.16 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