NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6831 8.2827 119.2059 53.5694 41.1496 176.0642 3 V 3.4085 7.7848 117.4794 65.5890 31.4346 176.2360 4 D 4.3670 8.8754 119.6696 57.2602 41.1024 178.2112 5 I 3.7114 7.5596 119.7629 64.4430 37.1796 178.2529 6 L 4.0153 8.1765 120.0448 57.6425 41.3635 179.7469 7 K 3.9626 8.4038 118.9367 59.6288 31.8700 179.4355 8 Q 4.0399 7.7768 116.0869 59.3894 28.7874 178.4601 9 R 4.1065 8.1597 119.8778 58.9551 30.1041 178.8063 10 A 4.1579 8.3898 120.8966 54.6964 18.0884 179.3154 11 K 3.9085 8.0700 117.6771 60.0127 32.4926 178.5271 12 A 4.3305 8.0050 119.2049 54.7776 17.9497 179.0008 13 F 4.0642 8.0659 118.9203 61.8362 39.4692 175.9456 14 D 4.4732 7.8489 114.8202 54.4493 40.6463 176.5432 15 Y 4.6983 7.9464 117.5783 58.1251 40.0310 176.8829 16 V 3.9827 7.5875 112.1927 60.9919 32.2963 175.9169 17 F 4.5078 8.6412 123.4605 60.5103 39.4461 175.8930 18 D 4.2842 7.9983 120.5461 54.3636 42.1201 175.4972 19 A 4.2665 8.3996 125.1760 51.0019 19.5141 176.0899 20 I 4.7242 8.5867 124.2895 60.5450 39.4446 175.5621 21 V 4.7222 8.9246 126.5240 61.3249 34.5991 173.9980 22 V 4.9078 8.7991 129.1132 61.6554 33.3386 174.7860 23 T 5.2601 8.9563 117.5863 59.9295 72.8511 172.9704 24 D 5.3155 8.4886 122.2755 51.9641 41.7149 177.1134 25 L 3.9387 8.6907 117.4876 57.5114 41.5644 178.3206 26 Q 4.4222 8.6171 116.3063 55.3862 28.9128 176.0616 27 G 3.6604 8.2480 105.9044 46.0436 0.0000 173.2438 28 F 4.8237 7.9844 118.2365 55.4138 40.4084 175.2646 29 I 4.4545 9.0981 127.5000 61.7705 37.2037 176.5364 30 I 3.9661 9.1819 120.2075 61.1686 39.7964 175.2251 31 D 4.9810 8.0064 121.0688 52.8473 44.9617 173.7607 32 W 5.7375 8.9812 133.3136 56.4868 34.0846 173.6137 33 N 4.7093 7.8876 123.8355 50.9999 39.3933 176.0440 34 K 3.9821 8.8166 118.2670 59.5334 31.9116 179.6750 35 G 3.5456 7.6522 106.7274 47.3277 0.0000 175.7171 36 S 3.7256 7.5034 116.7588 60.7494 62.4998 176.3413 37 E 5.1667 7.5829 123.0307 59.4439 29.2801 178.8891 38 T 3.8885 7.7350 114.6289 66.3748 68.5484 176.2956 39 L 3.8818 7.5265 121.1105 58.2710 42.4242 178.0514 40 Y 4.4952 8.4264 116.3151 58.6229 38.0230 177.2654 41 G 3.7907 8.5451 107.4722 45.2544 0.0000 173.3642 42 Y 4.7116 8.1017 117.2688 56.9392 39.3613 175.3242 43 S 5.1390 8.6590 118.2254 56.9388 65.1838 175.3073 44 K 3.8273 8.8758 119.6385 59.9753 31.3996 179.2925 45 E 3.9553 8.1417 116.9396 59.1957 29.4911 178.5966 46 Q 4.1373 7.7813 115.9499 56.7804 29.3544 177.1225 47 A 3.6905 7.0016 121.1085 52.4113 19.7999 177.2203 48 I 3.8831 6.7544 117.5631 63.0838 37.4305 176.8405 49 G 3.9155 9.5874 115.0182 45.2152 0.0000 173.3336 50 Q 4.5518 7.6277 119.0812 53.4756 30.6335 173.2133 51 P 4.1683 0.0000 0.0000 62.1164 32.2505 178.0324 52 V 3.5269 8.8926 123.7292 64.2228 31.2011 177.7207 53 N 4.1203 7.6827 116.7590 54.2957 37.1000 176.1687 54 M 4.1237 7.6351 119.2748 57.3891 31.6640 177.3012 55 L 4.3591 7.6422 119.4454 54.7593 42.1145 176.0399 56 H 4.9751 7.0570 116.2663 54.3627 30.2503 174.7935 57 V 3.9180 8.4862 121.0859 63.0238 30.8971 176.1920 58 P 4.0301 0.0000 0.0000 65.4818 31.8235 178.3570 59 G 3.7781 8.0364 105.6696 48.6510 0.0000 175.1109 60 D 4.4468 8.5406 120.5442 57.3941 40.5437 178.4115 61 T 3.7171 7.3208 113.3909 67.3075 68.5429 175.6365 62 E 3.8899 8.1181 119.3507 59.7722 29.6472 179.0749 63 H 4.1088 8.0740 117.5122 59.3415 30.0553 177.0401 64 I 3.5093 7.7388 121.5818 64.8471 36.9894 178.5426 65 T 3.6355 7.9221 116.4693 66.7226 68.2235 176.9326 66 S 4.1051 7.8878 116.8446 61.4825 62.8500 176.5866 67 E 4.0131 8.1249 121.4370 59.0783 29.1343 179.4157 68 V 2.9073 7.4627 118.4207 65.8308 31.4786 177.9860 69 I 3.6256 7.4135 119.2606 64.4804 36.9697 178.2755 70 S 4.0667 8.1066 113.4788 61.4074 62.2343 176.1020 71 A 4.0831 8.6572 123.6776 55.2438 18.1964 179.7567 72 V 3.6413 8.3008 117.2097 66.3054 31.3882 178.1064 73 E 4.0217 8.3060 117.4436 59.1373 29.2964 178.8058 74 N 4.5691 7.8881 115.2044 55.8241 39.1959 176.8968 75 Q 4.5308 8.6554 116.4424 55.1068 29.8630 176.9820 76 G 4.0205 9.6684 107.8751 45.0322 0.0000 172.7786 77 K 4.8540 7.3862 118.0596 55.1303 35.4677 174.4250 78 W 5.3162 9.3488 133.9613 55.8912 34.2479 173.9608 79 T 4.2830 7.1303 115.0951 59.8290 71.5380 172.8247 80 G 3.5951 7.3841 109.1579 46.0140 0.0000 171.9425 81 E 5.4514 9.0227 120.0441 54.6480 31.1500 175.6089 82 I 4.9215 8.5326 117.4005 58.6926 41.4646 175.2722 83 R 3.7419 7.9055 121.1398 56.0400 30.9461 175.8260 84 M 4.8310 9.1395 120.6957 53.7427 36.0659 173.8214 85 L 4.9354 8.6605 127.6632 53.4627 43.6998 175.7022 86 H 4.6112 8.9944 127.0023 55.3356 30.6700 176.0076 87 K 3.6014 7.9189 125.5391 59.4420 31.8521 177.5985 88 D 4.5692 8.3414 114.7653 53.5839 39.1899 177.0439 89 G 3.9886 8.2089 109.6729 45.8266 0.0000 174.0364 90 H 4.6125 8.4686 115.4904 55.2588 29.6066 174.0323 91 I 4.8777 8.0424 120.5908 60.1251 39.7566 175.0227 92 G 4.2831 8.7636 111.0679 45.5453 0.0000 171.2645 93 W 5.5000 8.9150 118.4349 54.7956 32.7759 175.2352 94 I 5.1558 8.8905 115.2970 59.3102 41.3705 173.3769 95 E 4.8181 9.2814 125.2334 55.2038 30.9879 174.8372 96 S 5.3891 9.2646 121.3008 56.9229 66.6360 172.1125 97 M 5.3186 9.0427 123.0965 54.2291 36.1884 173.3192 98 C 5.4280 9.8996 124.6286 58.1200 35.5064 173.0818 99 V 5.0228 8.8025 118.3794 58.7408 35.8733 173.2330 100 P 4.9025 0.0000 0.0000 62.8397 32.2847 175.4582 101 I 4.6966 8.3449 115.4365 59.5949 40.4576 173.9118 102 Y 4.9197 8.5222 120.1869 56.1339 41.0163 177.2213 103 G 3.9587 8.7840 115.5418 46.1497 0.0000 174.1648 104 E 4.2494 8.6988 120.1842 56.8860 30.0261 176.2057 105 N 4.9717 8.1002 116.8445 53.0468 39.0913 174.5399 106 Y 4.0259 7.6367 112.6364 58.8625 35.8364 170.0086 107 Q 4.8920 7.4242 116.1607 54.1113 31.0855 174.4794 108 M 3.7504 8.5215 120.2196 55.7076 32.6871 176.2022 109 V 4.3589 9.4162 117.6753 60.0067 33.5741 177.1250 110 G 3.7624 6.6638 106.7989 45.7989 0.0000 171.0882 111 A 5.1214 8.0921 122.1871 50.3034 23.7422 175.3359 112 L 4.8881 9.2895 121.5105 53.2477 44.7548 175.3816 113 G 4.6436 9.3254 114.0968 44.4797 0.0000 171.8415 114 I 5.1064 8.8156 124.7136 59.4688 40.4066 174.5016 115 N 5.6852 9.0493 122.9571 51.8613 43.5508 173.7402 116 R 4.7494 8.6313 119.4358 54.4185 34.9745 174.2287 117 D 4.6819 8.7003 123.8547 54.8637 41.6072 175.4912 118 I 4.6136 8.8911 123.5327 60.5590 39.5081 175.9830 119 T 4.1023 8.9553 111.5227 65.6276 68.5626 174.0916 120 K 3.8525 7.9428 123.4399 56.4421 32.7923 176.7022 121 R 4.1956 8.6366 121.3272 56.7493 30.3297 175.8536 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 2 N 8.28 4.68 0.00 2.82 2.88 0.00 0.00 6.70 6.83 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 3 V 7.78 3.41 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 1.08 0.00 0.00 0.93 0.00 0.00 4 D 8.88 4.37 0.00 2.73 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 5 I 7.56 3.71 2.07 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 1.65 0.43 0.92 0.00 0.00 6 L 8.18 4.02 0.00 1.84 1.72 0.91 1.36 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 7 K 8.40 3.96 0.00 1.92 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.77 1.61 7.81 8 Q 7.78 4.04 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.98 0.00 0.00 0.00 0.00 0.00 2.62 2.42 0.00 9 R 8.16 4.11 0.00 2.05 2.05 0.00 3.15 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.91 0.00 10 A 8.39 4.16 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 11 K 8.07 3.91 0.00 1.93 2.14 0.00 1.98 0.00 0.00 1.83 0.00 0.00 3.15 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.71 7.81 12 A 8.00 4.33 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 0.00 0.00 0.00 0.00 0.00 13 F 8.07 4.06 0.00 3.08 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 14 D 7.85 4.47 0.00 2.45 2.30 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 15 Y 7.95 4.70 0.00 3.08 2.96 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 0.00 0.00 0.00 16 V 7.59 3.98 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 0.79 0.00 0.00 0.91 0.00 0.00 17 F 8.64 4.51 0.00 2.88 3.10 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 0.00 0.00 0.00 0.00 18 D 8.00 4.28 0.00 2.57 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 19 A 8.40 4.27 0.96 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 0.00 0.00 0.00 0.00 0.00 20 I 8.59 4.72 1.60 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 0.89 1.36 1.15 0.00 0.00 21 V 8.92 4.72 2.14 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 1.16 0.00 0.00 0.86 0.00 0.00 22 V 8.80 4.91 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 1.01 0.00 0.00 1.06 0.00 0.00 23 T 8.96 5.26 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 1.18 0.00 0.00 24 D 8.49 5.32 0.00 2.86 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 25 L 8.69 3.94 0.00 1.65 1.77 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.62 4.42 0.00 2.41 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.30 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 27 G 8.25 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 4.82 0.00 3.45 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 29 I 9.10 4.45 1.98 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.98 1.05 0.00 0.00 30 I 9.18 3.97 1.89 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 1.23 0.70 0.94 0.00 0.00 31 D 8.01 4.98 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 32 W 8.98 5.74 0.00 3.41 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 33 N 7.89 4.71 0.00 2.13 1.42 0.00 0.00 6.60 6.30 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 34 K 8.82 3.98 0.00 1.64 1.84 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.57 1.54 7.81 35 G 7.65 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 0.00 0.00 0.00 36 S 7.50 3.73 0.00 2.72 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 37 E 7.58 5.17 0.00 2.42 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 0.00 2.47 2.43 0.00 38 T 7.74 3.89 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 1.25 0.00 0.00 39 L 7.53 3.88 0.00 1.19 1.10 0.66 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 8.43 4.50 0.00 3.65 3.39 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 41 G 8.55 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 0.00 0.00 0.00 42 Y 8.10 4.71 0.00 2.83 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 43 S 8.66 5.14 0.00 4.10 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 44 K 8.88 3.83 0.00 1.89 2.01 0.00 1.79 0.00 0.00 1.99 0.00 0.00 3.10 0.00 0.00 3.51 0.00 0.00 0.00 0.00 2.02 1.74 7.81 45 E 8.14 3.96 0.00 1.90 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 0.00 2.32 2.46 0.00 46 Q 7.78 4.14 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 47 A 7.00 3.69 -0.44 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 48 I 6.75 3.88 1.81 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.65 0.95 0.00 0.00 49 G 9.59 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 50 Q 7.63 4.55 0.00 1.95 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.96 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 51 P 0.00 4.17 0.00 2.02 1.80 0.00 3.62 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 1.91 1.90 0.00 52 V 8.89 3.53 1.98 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 0.66 0.00 0.00 0.80 0.00 0.00 53 N 7.68 4.12 0.00 2.91 2.94 0.00 0.00 6.04 7.66 0.00 0.00 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 M 7.64 4.12 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.15 0.00 55 L 7.64 4.36 0.00 1.57 1.53 0.29 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 56 H 7.06 4.98 0.00 3.22 3.13 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 57 V 8.49 3.92 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 1.04 0.00 0.00 0.82 0.00 0.00 58 P 0.00 4.03 0.00 2.23 1.99 0.00 3.64 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 2.10 2.13 0.00 59 G 8.04 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 60 D 8.54 4.45 0.00 2.60 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.32 3.72 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 1.19 0.00 0.00 62 E 8.12 3.89 0.00 1.99 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 0.00 2.37 2.35 0.00 63 H 8.07 4.11 0.00 3.23 3.47 0.00 5.88 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 64 I 7.74 3.51 1.71 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.51 0.52 0.00 0.00 65 T 7.92 3.64 4.14 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 1.10 0.00 0.00 66 S 7.89 4.11 0.00 3.98 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 67 E 8.12 4.01 0.00 2.05 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 2.30 2.36 0.00 68 V 7.46 2.91 1.83 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 0.84 0.00 0.00 -0.27 0.00 0.00 69 I 7.41 3.63 1.89 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 1.35 0.29 0.89 0.00 0.00 70 S 8.11 4.07 0.00 4.01 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 71 A 8.66 4.08 1.76 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 72 V 8.30 3.64 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 1.03 0.00 0.00 73 E 8.31 4.02 0.00 2.13 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 2.67 0.00 74 N 7.89 4.57 0.00 2.73 2.89 0.00 0.00 6.95 8.74 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 75 Q 8.66 4.53 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.83 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 76 G 9.67 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 0.00 0.00 0.00 77 K 7.39 4.85 0.00 1.81 1.69 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.73 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.51 7.81 78 W 9.35 5.32 0.00 3.42 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 79 T 7.13 4.28 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 1.08 0.00 0.00 80 G 7.38 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 81 E 9.02 5.45 0.00 1.91 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 0.00 2.25 2.26 0.00 82 I 8.53 4.92 1.94 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.02 1.26 0.00 0.00 83 R 7.91 3.74 0.00 1.49 1.43 0.00 2.80 0.00 0.00 2.89 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 84 M 9.14 4.83 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.64 0.00 85 L 8.66 4.94 0.00 1.66 1.72 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 86 H 8.99 4.61 0.00 2.94 2.99 0.00 5.65 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 87 K 7.92 3.60 0.00 0.79 1.27 0.00 1.29 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.22 0.97 7.81 88 D 8.34 4.57 0.00 2.82 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 89 G 8.21 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 90 H 8.47 4.61 0.00 3.32 3.43 0.00 5.23 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 I 8.04 4.88 1.87 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 1.24 0.47 0.81 0.00 0.00 92 G 8.76 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 93 W 8.92 5.50 0.00 3.29 3.16 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 94 I 8.89 5.16 1.97 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.93 0.89 0.00 0.00 95 E 9.28 4.82 0.00 2.04 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 2.23 2.21 0.00 96 S 9.26 5.39 0.00 4.13 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 97 M 9.04 5.32 0.00 2.14 1.80 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 98 C 9.90 5.43 0.00 3.18 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 99 V 8.80 5.02 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 0.75 0.00 0.00 1.01 0.00 0.00 100 P 0.00 4.90 0.00 1.77 2.00 0.00 3.91 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.13 0.00 101 I 8.34 4.70 1.88 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 1.28 0.67 0.94 0.00 0.00 102 Y 8.52 4.92 0.00 2.79 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 0.00 103 G 8.78 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.70 4.25 0.00 1.93 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 0.00 2.22 2.23 0.00 105 N 8.10 4.97 0.00 2.96 2.84 0.00 0.00 6.95 7.22 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 0.00 106 Y 7.64 4.03 0.00 3.19 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 0.00 107 Q 7.42 4.89 0.00 2.05 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.00 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 108 M 8.52 3.75 0.00 1.83 1.64 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 109 V 9.42 4.36 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 0.74 0.00 0.00 0.92 0.00 0.00 110 G 6.66 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 0.00 111 A 8.09 5.12 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 112 L 9.29 4.89 0.00 1.74 1.69 1.02 1.17 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 0.00 113 G 9.33 4.64 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 0.00 114 I 8.82 5.11 1.91 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 1.27 0.90 0.91 0.00 0.00 115 N 9.05 5.69 0.00 2.56 2.65 0.00 0.00 6.40 7.11 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 0.00 116 R 8.63 4.75 0.00 1.71 1.76 0.00 3.19 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 117 D 8.70 4.68 0.00 2.60 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 0.00 0.00 0.00 0.00 118 I 8.89 4.61 1.95 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.96 0.98 0.00 0.00 119 T 8.96 4.10 4.36 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 1.49 0.00 0.00 120 K 7.94 3.85 0.00 1.74 1.79 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.20 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.51 7.81 121 R 8.64 4.20 0.00 2.08 1.99 0.00 3.15 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.67 0.00