NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.3574 8.4093 118.1464 53.4293 38.9220 173.6251 2 Y 3.7958 8.2487 119.8008 57.3652 38.5214 170.1929 3 D 4.2112 7.0419 119.1928 56.3621 42.1825 176.2327 4 P 4.5521 0.0000 0.0000 63.9655 32.5229 175.2262 5 F 5.1048 7.0816 113.6297 54.4515 41.7145 172.3060 6 V 4.5756 8.5645 120.3690 60.0449 33.4587 174.5377 7 R 5.8403 8.5179 124.4817 53.7487 33.2383 173.3173 8 H 5.2263 8.9746 125.4858 54.4354 32.5757 172.9646 9 S 5.7500 8.6790 119.0882 55.9763 65.3191 173.4823 10 V 4.6757 8.4936 117.0268 59.6272 35.9842 174.6282 11 T 4.9614 8.9443 119.7380 62.0944 70.0942 174.2698 12 V 4.1368 9.2246 128.0871 61.6132 33.2014 176.4043 13 K 4.3320 8.5451 125.0504 56.3692 32.3532 177.3307 14 A 4.4653 7.4560 122.6187 50.5448 19.3150 176.2412 15 D 4.9514 8.0957 118.8527 54.6689 41.8975 174.4372 16 R 3.7933 8.2406 121.0226 58.8196 29.8477 178.4426 17 K 3.8851 8.6325 120.5247 59.8688 32.2180 178.8307 18 T 3.8856 7.4146 109.9974 64.3152 68.7819 176.5538 19 A 3.8048 7.6091 123.2450 54.9704 18.3355 179.4156 20 F 4.1569 8.0817 119.3975 61.0913 39.4800 177.0642 21 K 3.9035 8.3461 119.4009 60.2082 31.8533 178.9502 22 T 4.4701 8.1508 114.3129 65.8805 68.2352 176.0885 23 F 4.7485 8.2629 122.0739 59.6308 39.8040 175.8806 24 L 4.1691 8.0461 117.1768 56.6674 43.6729 177.4503 25 E 3.9420 8.0256 116.2906 57.9607 29.7357 176.6557 26 G 3.8540 8.5943 107.5767 44.6647 0.0000 172.1948 27 F 4.4713 8.5087 127.6045 58.7804 40.1729 176.5500 28 P 5.1899 0.0000 0.0000 61.8786 31.7191 175.1636 29 E 4.2834 6.8537 114.1506 56.3476 31.3309 175.4073 30 W 4.2007 6.7428 121.0665 56.1051 30.5873 176.3603 31 W 4.7256 8.3658 122.7133 56.8518 29.9265 174.8416 32 P 4.9065 0.0000 0.0000 62.6473 30.2768 178.0607 33 N 4.1353 8.8250 112.6115 56.2252 39.4810 175.9944 34 N 4.5129 7.8064 114.4433 53.6966 37.9747 175.7944 35 F 4.7394 8.1036 119.4734 57.9432 40.5520 175.6362 36 R 4.4349 7.5064 119.1854 55.6442 31.7634 175.7284 37 T 4.1995 8.1300 118.5504 64.6761 69.1288 175.0882 38 T 3.0944 8.2626 113.1380 62.1761 67.2883 172.5719 39 K 3.5171 6.8467 121.8563 57.6343 32.7684 177.5916 40 V 5.1324 6.7666 108.9990 61.2927 34.5819 175.7749 41 G 3.9499 7.8330 106.8097 44.4449 0.0000 172.3276 42 A 4.3322 7.4868 121.2564 49.5693 21.5444 176.8181 43 P 4.5123 0.0000 0.0000 61.3648 29.5789 174.0744 44 L 3.8437 7.4863 126.6750 53.3357 48.8715 174.5234 45 G 4.7243 6.6717 114.2554 43.9128 0.0000 173.2612 46 V 4.5009 6.7880 118.4588 60.0423 34.8825 173.9888 47 D 4.8719 9.4510 126.5441 52.5415 42.1650 177.1883 48 K 4.1883 8.7258 127.0278 58.9574 32.6826 178.6498 49 K 4.1782 8.2210 117.3364 59.2377 33.0530 178.1116 50 G 3.6559 9.3882 108.3305 45.5626 0.0000 173.8164 51 G 3.9519 10.0355 107.8525 44.5410 0.0000 172.1267 52 R 5.0814 7.4445 114.3517 55.2952 33.5916 175.9425 53 W 5.0855 9.2411 122.5375 56.2282 30.3358 174.8938 54 Y 5.1894 8.7231 122.2433 56.2092 41.3687 173.2085 55 E 4.7440 8.4797 118.4651 54.1024 34.1642 175.6005 56 I 4.0737 7.9705 121.6502 60.8570 37.0644 175.7161 57 D 4.5486 8.6034 127.6505 53.3384 41.9678 177.1960 58 E 3.9389 8.6803 123.2455 59.2102 29.8301 178.0605 59 Q 4.0518 8.9127 120.4203 57.2927 29.9190 174.3450 60 G 3.3719 9.1320 113.1758 45.6891 0.0000 173.4408 61 E 3.7989 8.2268 114.9416 56.9614 28.0899 176.0018 62 E 4.5032 7.5986 121.2066 54.4519 28.3864 173.9653 63 H 5.0069 8.1593 121.4821 53.3089 32.6594 173.7237 64 T 4.2179 8.4056 119.6844 62.7813 67.6441 172.9213 65 F 5.3993 8.9693 122.8427 54.9734 41.1544 174.6334 66 G 3.2751 9.4158 109.5190 46.0659 0.0000 173.0741 67 L 4.7763 8.1459 126.2388 53.8136 41.4178 174.5660 68 I 4.2446 8.0616 122.3639 61.0498 37.0267 175.7986 69 R 4.4242 9.0565 127.1578 56.7918 31.7906 176.9974 70 K 4.4592 7.9027 119.9350 54.9587 35.4855 175.5887 71 V 4.7767 8.7198 121.6901 59.5429 31.6731 175.0284 72 D 4.6864 9.1406 129.4676 53.7011 39.5314 175.7066 73 E 3.5684 8.0162 118.3962 55.6556 30.7383 174.8732 74 P 4.2218 0.0000 0.0000 62.3978 28.1292 174.1508 75 D 4.9655 7.5188 121.3460 54.2531 47.3800 174.1655 76 T 5.9065 8.4259 107.9862 59.0780 73.0247 172.2198 77 L 5.2340 8.5609 122.6614 53.3613 45.8868 175.5208 78 V 4.5305 8.6791 125.4837 61.3581 32.7090 174.1381 79 I 4.7928 7.8240 128.0822 58.9405 41.4538 174.8551 80 G 4.0041 8.8841 116.0999 45.0719 0.0000 172.9012 81 W 4.4703 8.3513 130.9311 57.3719 31.1684 174.0188 82 R 3.8060 6.2891 119.7950 54.0713 32.5409 174.7288 83 L 4.6478 5.6200 123.1157 55.0919 44.5626 171.8296 84 N 5.0980 8.3709 120.1811 55.4813 41.5991 176.5243 85 G 3.5411 8.0748 102.9315 46.1342 0.0000 174.3341 86 F 3.9165 8.1213 120.2699 58.8252 38.4116 174.8104 87 G 4.2365 7.8082 105.3797 45.0397 0.0000 172.6971 88 R 4.6640 7.9326 117.4518 54.0839 33.6137 173.3234 89 I 4.4739 8.2309 121.0051 59.2206 39.3651 174.5056 90 D 4.9161 8.1790 125.6749 52.1740 44.8086 174.5526 91 P 3.8608 0.0000 0.0000 63.3561 31.4970 176.1350 92 D 4.1840 7.2410 116.2504 54.8370 39.3878 173.8616 93 N 4.7937 7.0486 111.8385 54.0432 44.1934 178.6420 94 S 4.6919 7.2580 121.7351 57.2558 61.5916 174.6364 95 S 4.1977 8.7096 125.8259 56.2129 61.3291 166.2404 96 E 3.7169 8.1170 126.6766 55.8069 30.5393 173.4529 97 F 5.2044 8.4723 120.9273 55.4416 41.4073 174.1430 98 T 4.4088 9.2208 120.9497 62.4052 69.5034 174.4730 99 V 3.9995 9.2021 129.2735 62.6813 32.5533 175.2783 100 T 4.6169 8.2858 126.6518 61.9143 69.9871 174.3252 101 F 4.7277 8.9500 127.5553 56.6521 39.8283 176.2877 102 V 4.1686 8.9103 126.1903 61.3955 32.2554 174.9681 103 A 4.5098 8.6789 130.8284 51.9952 19.3948 175.8520 104 D 4.8159 9.2623 122.9969 52.2252 42.5125 178.0686 105 G 3.7448 9.0661 113.1836 48.4550 0.0000 172.7486 106 Q 4.2603 7.8871 120.0977 56.5901 29.5386 175.0276 107 K 3.8513 8.1319 110.4930 57.2507 29.8181 175.1357 108 K 4.9982 8.0230 117.8641 55.4398 36.8283 175.6918 109 T 4.9430 8.6523 120.6288 62.7443 73.3795 172.7355 110 R 4.9586 8.8494 128.6473 55.0006 31.4761 175.4076 111 V 4.4890 8.7526 127.5539 60.9466 33.7145 174.7541 112 D 5.0949 9.3810 124.0249 52.6129 43.9727 174.2615 113 V 4.5832 8.9641 127.7910 61.5333 33.4398 174.1837 114 E 4.8919 9.1108 130.1853 55.2912 31.0581 174.0628 115 H 5.5469 9.1524 127.9201 54.9478 32.7342 172.9869 116 T 3.9391 7.8106 121.9133 64.6782 70.9723 171.8325 117 H 4.2130 8.0556 133.3891 57.0463 35.5592 175.5233 118 F 4.4536 7.7910 120.5521 61.3770 39.9225 177.7661 119 D 3.9361 7.9924 118.5862 57.0769 40.9738 177.8621 120 R 4.8046 7.7815 117.9811 58.6413 30.2385 176.4945 121 M 4.0292 7.1997 116.6709 56.3910 32.1733 174.4685 122 G 3.7712 7.9189 102.9872 43.7152 0.0000 175.6828 123 T 3.7995 8.5986 114.8552 66.8691 68.1947 176.7666 124 K 3.9127 7.8547 120.6431 59.5828 32.3177 178.4875 125 H 3.7717 7.9308 115.8791 58.8529 28.6038 177.5360 126 A 3.6729 7.8063 122.1557 54.4901 17.8555 179.6247 127 K 3.7826 7.9356 118.6328 59.4950 32.3562 178.9845 128 R 4.0771 8.2424 116.8037 58.8918 29.1512 179.0320 129 V 3.6309 7.5435 118.8925 65.8514 31.6091 178.1452 130 R 3.9038 8.0307 115.2853 58.2914 28.9660 177.7596 131 N 4.4527 7.4313 117.8753 56.7102 38.3745 176.1486 132 G 4.2414 7.6088 105.0032 46.7349 0.0000 174.4640 133 M 4.3833 8.0596 120.4216 57.0942 31.8817 178.4396 134 D 4.4046 8.2463 118.7517 55.3695 39.7322 176.9788 135 K 4.5380 8.1842 116.4219 56.1062 32.3626 175.9711 136 G 4.1142 7.5229 105.9092 46.4967 0.0000 175.4189 137 W 4.3899 8.5727 127.5433 59.4101 31.2768 176.7160 138 P 4.2107 0.0000 0.0000 66.2761 30.7318 178.3589 139 T 4.0942 7.7927 114.9180 66.0373 68.5095 176.6377 140 I 3.6973 8.3212 122.4130 64.6141 37.1784 178.4180 141 L 4.0628 7.4884 119.0907 57.5777 41.2689 179.7523 142 Q 3.9651 7.5781 116.8660 59.2786 28.7515 178.8477 143 S 4.3312 8.1088 115.5235 61.0721 62.8834 176.4897 144 F 3.8239 8.7449 124.1855 61.5887 39.1400 177.3267 145 Q 3.9041 8.2984 117.2230 58.3955 28.5586 178.3280 146 D 4.2583 7.9145 119.6157 57.2148 41.3809 178.2100 147 K 4.1925 8.3126 120.3671 59.3787 32.2437 178.8781 148 I 3.3996 7.2069 120.2182 64.1034 36.9082 177.7160 149 D 4.3056 8.0839 119.0387 57.3661 40.7466 178.2494 150 E 4.0185 7.7280 117.9525 59.4400 29.6056 178.8165 151 E 4.2618 7.9907 116.8413 58.6746 29.6345 177.5089 152 G 3.8864 7.8085 104.2212 44.9663 0.0000 173.8444 153 A 4.6673 7.2126 120.6294 51.1474 21.4314 177.0545 154 K 4.0631 8.7938 121.9766 59.4260 32.4971 177.1946 155 K 4.1755 7.8880 121.2310 56.8596 32.8317 176.0434 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 N 8.41 4.36 0.00 2.79 2.75 0.00 0.00 6.15 6.75 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 2 Y 8.25 3.80 0.00 3.20 3.25 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 0.00 3 D 7.04 4.21 0.00 2.35 2.41 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 4 P 0.00 4.55 0.00 2.31 2.10 0.00 3.39 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.76 0.00 5 F 7.08 5.10 0.00 3.06 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 6 V 8.56 4.58 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 0.83 0.00 0.00 0.95 0.00 0.00 7 R 8.52 5.84 0.00 2.14 1.94 0.00 3.56 0.00 0.00 4.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 8 H 8.97 5.23 0.00 3.45 3.29 0.00 5.68 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.68 5.75 0.00 3.88 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.49 4.68 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 0.90 0.00 0.00 1.23 0.00 0.00 11 T 8.94 4.96 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 12 V 9.22 4.14 2.24 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 0.90 0.00 0.00 1.06 0.00 0.00 13 K 8.55 4.33 0.00 1.73 1.78 0.00 1.83 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.54 7.81 14 A 7.46 4.47 1.18 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 0.00 0.00 0.00 15 D 8.10 4.95 0.00 2.85 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 16 R 8.24 3.79 0.00 1.91 1.87 0.00 3.46 0.00 0.00 3.47 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.57 0.00 17 K 8.63 3.89 0.00 1.90 1.81 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.48 7.81 18 T 7.41 3.89 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 1.18 0.00 0.00 19 A 7.61 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 F 8.08 4.16 0.00 3.00 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 21 K 8.35 3.90 0.00 2.07 2.06 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.23 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.73 7.81 22 T 8.15 4.47 3.46 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 -0.45 0.00 0.00 23 F 8.26 4.75 0.00 3.76 3.45 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 24 L 8.05 4.17 0.00 1.41 0.91 1.00 1.06 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 25 E 8.03 3.94 0.00 2.16 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 0.00 2.30 2.16 0.00 26 G 8.59 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 0.00 0.00 0.00 27 F 8.51 4.47 0.00 2.58 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 28 P 0.00 5.19 0.00 2.04 2.11 0.00 3.07 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.85 0.00 29 E 6.85 4.28 0.00 1.49 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 0.00 1.47 1.47 0.00 30 W 6.74 4.20 0.00 3.08 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 31 W 8.37 4.73 0.00 3.22 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 32 P 0.00 4.91 0.00 2.26 2.08 0.00 3.72 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 2.22 2.03 0.00 33 N 8.83 4.14 0.00 2.92 2.94 0.00 0.00 7.26 6.97 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 34 N 7.81 4.51 0.00 2.54 2.49 0.00 0.00 5.19 7.32 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 35 F 8.10 4.74 0.00 3.03 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 36 R 7.51 4.43 0.00 1.86 1.78 0.00 3.39 0.00 0.00 3.41 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 37 T 8.13 4.20 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 1.09 0.00 0.00 38 T 8.26 3.09 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 1.22 0.00 0.00 39 K 6.85 3.52 0.00 1.58 1.80 0.00 1.91 0.00 0.00 1.97 0.00 0.00 3.28 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.55 1.55 7.81 40 V 6.77 5.13 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 1.47 0.00 0.00 1.01 0.00 0.00 41 G 7.83 3.95 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 0.00 42 A 7.49 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.51 0.00 2.08 2.01 0.00 3.68 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.85 0.00 44 L 7.49 3.84 0.00 1.29 1.11 0.71 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 45 G 6.67 4.72 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 0.00 0.00 0.00 46 V 6.79 4.50 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 0.71 0.00 0.00 -0.33 0.00 0.00 47 D 9.45 4.87 0.00 3.12 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.73 4.19 0.00 1.84 1.93 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.23 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.41 7.81 49 K 8.22 4.18 0.00 1.89 1.96 0.00 1.58 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.57 7.81 50 G 9.39 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 51 G 10.04 3.95 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 0.00 52 R 7.44 5.08 0.00 2.10 2.02 0.00 2.21 0.00 0.00 3.03 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.44 0.00 53 W 9.24 5.09 0.00 3.19 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 54 Y 8.72 5.19 0.00 3.15 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 55 E 8.48 4.74 0.00 1.66 1.67 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 2.30 2.41 0.00 56 I 7.97 4.07 1.77 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 1.05 0.63 0.87 0.00 0.00 57 D 8.60 4.55 0.00 2.92 2.68 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 58 E 8.68 3.94 0.00 2.11 2.05 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 2.30 2.33 0.00 59 Q 8.91 4.05 0.00 2.02 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 8.07 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 60 G 9.13 3.37 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 0.00 61 E 8.23 3.80 0.00 2.17 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 0.00 2.25 2.24 0.00 62 E 7.60 4.50 0.00 2.04 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 0.00 2.26 2.31 0.00 63 H 8.16 5.01 0.00 3.40 3.37 0.00 5.80 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 64 T 8.41 4.22 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 1.18 0.00 0.00 65 F 8.97 5.40 0.00 3.00 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 66 G 9.42 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 0.00 0.00 0.00 67 L 8.15 4.78 0.00 1.56 1.55 0.58 0.65 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 68 I 8.06 4.24 2.08 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.78 1.09 0.00 0.00 69 R 9.06 4.42 0.00 1.70 1.97 0.00 3.30 0.00 0.00 3.07 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 70 K 7.90 4.46 0.00 1.80 1.63 0.00 1.72 0.00 0.00 1.87 0.00 0.00 2.84 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.50 7.81 71 V 8.72 4.78 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 0.98 0.00 0.00 1.05 0.00 0.00 72 D 9.14 4.69 0.00 2.80 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 73 E 8.02 3.57 0.00 2.03 1.91 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 2.13 2.17 0.00 74 P 0.00 4.22 0.00 1.92 2.12 0.00 3.43 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.72 0.00 75 D 7.52 4.97 0.00 2.65 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 76 T 8.43 5.91 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 1.31 0.00 0.00 77 L 8.56 5.23 0.00 1.94 1.92 1.49 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.68 4.53 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 0.89 0.00 0.00 0.95 0.00 0.00 79 I 7.82 4.79 1.59 0.00 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.36 0.09 0.00 0.00 80 G 8.88 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.35 4.47 0.00 3.44 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 82 R 6.29 3.81 0.00 1.37 1.00 0.00 3.34 0.00 0.00 3.22 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.43 0.00 83 L 5.62 4.65 0.00 1.49 1.50 1.11 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.37 5.10 0.00 3.53 3.12 0.00 0.00 7.23 8.78 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 85 G 8.07 3.54 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 86 F 8.12 3.92 0.00 3.17 3.24 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 0.00 87 G 7.81 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 0.00 0.00 0.00 0.00 88 R 7.93 4.66 0.00 1.80 1.86 0.00 3.53 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 89 I 8.23 4.47 1.88 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 1.41 1.32 0.95 0.00 0.00 90 D 8.18 4.92 0.00 2.96 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 91 P 0.00 3.86 0.00 1.71 1.94 0.00 3.23 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.79 0.00 92 D 7.24 4.18 0.00 2.47 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 93 N 7.05 4.79 0.00 2.51 2.45 0.00 0.00 7.30 7.47 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 94 S 7.26 4.69 0.00 3.82 2.93 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 0.00 0.00 0.00 95 S 8.71 4.20 0.00 4.33 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 0.00 96 E 8.12 3.72 0.00 2.12 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 2.29 2.22 0.00 97 F 8.47 5.20 0.00 3.02 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 98 T 9.22 4.41 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 1.23 0.00 0.00 99 V 9.20 4.00 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 -0.09 0.00 0.00 1.31 0.00 0.00 100 T 8.29 4.62 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 1.22 0.00 0.00 101 F 8.95 4.73 0.00 3.18 2.98 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 0.00 102 V 8.91 4.17 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 1.05 0.00 0.00 0.99 0.00 0.00 103 A 8.68 4.51 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 0.00 104 D 9.26 4.82 0.00 2.62 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 0.00 105 G 9.07 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 0.00 0.00 0.00 106 Q 7.89 4.26 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 107 K 8.13 3.85 0.00 1.93 1.84 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.34 7.81 108 K 8.02 5.00 0.00 1.80 1.59 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.54 7.81 109 T 8.65 4.94 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 1.40 0.00 0.00 110 R 8.85 4.96 0.00 2.02 1.86 0.00 3.16 0.00 0.00 3.48 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 111 V 8.75 4.49 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 0.59 0.00 0.00 0.14 0.00 0.00 112 D 9.38 5.09 0.00 2.65 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 0.00 113 V 8.96 4.58 2.35 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 1.13 0.00 0.00 0.92 0.00 0.00 114 E 9.11 4.89 0.00 2.12 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 2.29 2.24 0.00 115 H 9.15 5.55 0.00 3.32 3.36 0.00 5.87 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 T 7.81 3.94 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 1.23 0.00 0.00 117 H 8.06 4.21 0.00 3.22 3.31 0.00 5.77 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 7.79 4.45 0.00 3.17 3.07 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 0.00 0.00 0.00 0.00 119 D 7.99 3.94 0.00 2.64 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 0.00 120 R 7.78 4.80 0.00 1.83 1.90 0.00 3.23 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 121 M 7.20 4.03 0.00 1.61 2.09 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 2.54 2.42 0.00 122 G 7.92 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 0.00 123 T 8.60 3.80 4.21 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 1.20 0.00 0.00 124 K 7.85 3.91 0.00 1.75 1.68 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.48 7.81 125 H 7.93 3.77 0.00 3.16 2.71 0.00 5.87 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 A 7.81 3.67 1.09 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 0.00 0.00 127 K 7.94 3.78 0.00 1.79 1.95 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.40 7.81 128 R 8.24 4.08 0.00 2.14 2.19 0.00 3.05 0.00 0.00 3.40 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 129 V 7.54 3.63 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 0.65 0.00 0.00 1.02 0.00 0.00 130 R 8.03 3.90 0.00 2.02 1.92 0.00 2.85 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.75 0.00 131 N 7.43 4.45 0.00 2.76 3.01 0.00 0.00 7.00 7.81 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 0.00 132 G 7.61 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 0.00 0.00 0.00 0.00 133 M 8.06 4.38 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.33 0.00 134 D 8.25 4.40 0.00 2.84 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 0.00 135 K 8.18 4.54 0.00 1.92 1.96 0.00 1.56 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.38 1.49 7.81 136 G 7.52 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 0.00 137 W 8.57 4.39 0.00 3.42 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 0.00 138 P 0.00 4.21 0.00 2.33 2.35 0.00 3.99 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.14 0.00 139 T 7.79 4.09 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 1.26 0.00 0.00 140 I 8.32 3.70 1.72 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 1.76 0.62 0.72 0.00 0.00 141 L 7.49 4.06 0.00 1.75 1.59 0.64 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 142 Q 7.58 3.97 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.82 0.00 0.00 0.00 0.00 0.00 2.64 2.56 0.00 143 S 8.11 4.33 0.00 4.02 4.15 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 0.00 0.00 0.00 0.00 144 F 8.74 3.82 0.00 3.08 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 0.00 145 Q 8.30 3.90 0.00 2.35 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.67 0.00 0.00 0.00 0.00 0.00 2.66 2.81 0.00 146 D 7.91 4.26 0.00 2.97 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 0.00 147 K 8.31 4.19 0.00 1.94 1.21 0.00 1.96 0.00 0.00 2.17 0.00 0.00 3.31 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.53 1.27 7.81 148 I 7.21 3.40 1.66 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.17 0.72 0.00 0.00 149 D 8.08 4.31 0.00 2.94 2.83 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 0.00 0.00 0.00 0.00 150 E 7.73 4.02 0.00 2.26 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 2.38 2.64 0.00 151 E 7.99 4.26 0.00 1.99 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 2.54 2.32 0.00 152 G 7.81 3.89 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 0.00 0.00 0.00 153 A 7.21 4.67 1.21 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 0.00 0.00 154 K 8.79 4.06 0.00 1.86 2.01 0.00 2.03 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.41 7.81 155 K 7.89 4.18 0.00 1.90 1.77 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.42 7.81