NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 K 4.3724 8.3144 124.0461 54.2643 35.7842 178.2603 3 E 3.7982 9.0086 121.4407 58.1300 29.9870 173.0745 4 R 5.5897 8.5560 124.4871 54.5560 33.7352 174.7866 5 T 4.6373 8.0223 113.5607 60.9968 71.3290 171.7962 6 F 5.1557 8.8489 130.9250 56.9580 41.2375 174.3997 7 L 5.0989 7.8737 125.4309 55.5756 43.8336 174.2002 8 M 4.7070 8.2831 120.0658 53.1861 35.5927 174.3982 9 V 4.5394 8.5840 119.6983 61.0942 32.8088 175.4686 10 K 4.2443 9.0308 128.2704 56.3656 33.0608 176.8094 11 P 4.4156 0.0000 0.0000 65.7365 31.3320 178.1451 12 D 4.4770 8.3165 117.5426 56.8092 39.1590 178.7935 13 G 3.6839 7.9051 107.9949 46.9879 0.0000 175.5389 14 V 3.6007 7.7913 119.9961 66.0899 31.3680 178.0840 15 Q 4.0673 7.9879 116.4124 58.5347 28.5323 177.6969 16 R 4.3558 8.1733 117.5014 55.4394 30.1858 176.1134 17 N 4.1564 7.4458 113.7494 54.4119 37.1307 175.0302 18 L 5.0509 7.6959 117.9945 54.3437 41.5550 178.6180 19 V 3.5299 7.6419 119.9897 66.0519 31.4172 177.7122 20 G 3.7494 7.9466 104.5339 48.1563 0.0000 174.6825 21 E 3.8733 8.0140 120.8520 59.0917 29.3729 179.6503 22 V 3.6074 7.2991 116.0544 66.0648 31.7406 178.0211 23 V 4.1140 7.9305 118.1535 65.8163 31.5693 177.5696 24 K 3.8814 8.6607 119.6426 59.9746 31.7147 178.3960 25 R 3.6956 7.9897 117.3495 59.5521 30.2554 178.5883 26 F 4.1404 7.6369 116.5956 59.5473 38.6443 178.0495 27 E 4.2432 8.0599 118.4743 59.4573 29.2789 178.6424 28 S 4.4847 7.8630 109.9737 59.1462 63.0599 174.7572 29 K 4.2916 8.2606 123.9419 58.4581 33.0109 175.7203 30 G 3.5808 7.8527 108.0918 45.3348 0.0000 174.1811 31 L 4.5212 7.9644 120.6412 55.1275 42.5231 176.4074 32 K 4.5840 8.7556 124.6045 54.5913 34.3008 175.2026 33 L 3.0635 8.3437 129.4841 54.8414 41.1923 175.4388 34 A 4.1999 8.4339 128.5284 50.2182 18.3383 174.9863 35 G 4.0338 9.2277 109.9641 45.9581 0.0000 170.5049 36 A 4.7618 8.3985 120.0010 51.8890 21.8804 175.8607 37 K 4.4695 7.1780 120.1678 56.3680 34.9842 175.5415 38 L 5.3199 8.0408 116.6005 54.2650 41.9411 177.3790 39 M 4.1545 8.1419 119.9588 55.2260 32.2147 175.8355 40 V 3.7853 8.4511 126.3456 63.3581 31.9461 176.0682 41 I 3.9181 8.6063 124.5635 62.3041 37.4457 176.7778 42 S 3.4387 8.7750 112.7826 59.2448 61.1885 172.1063 43 K 3.9465 7.6453 119.6919 58.7998 31.4896 177.5188 44 D 4.5060 8.0948 117.0867 57.9808 40.6833 179.6853 45 G 3.6042 7.8375 105.2826 48.1729 0.0000 174.4216 46 A 4.4031 8.6887 124.0037 53.3387 17.9933 179.5671 47 A 4.2028 7.7331 119.6669 54.7132 19.3941 179.5255 48 A 4.0967 7.7965 117.9327 55.6523 18.3829 179.1656 49 H 4.0589 7.6916 115.3356 59.5561 29.9368 175.6130 50 Y 4.4099 8.6250 113.8783 57.6599 37.9420 176.1423 51 A 4.0704 8.2172 125.6357 55.2800 18.4962 179.1666 52 E 3.8855 8.2302 114.4523 57.7718 30.2710 176.9833 53 L 3.6740 8.7161 125.6916 56.2631 39.9993 175.3517 54 G 3.4766 7.8890 107.2795 47.6405 0.0000 173.8712 55 G 3.7179 8.0254 107.1282 46.4681 0.0000 173.9288 56 G 3.8015 7.7926 109.8460 43.9409 0.0000 173.0754 57 P 4.3791 0.0000 0.0000 65.7601 31.4374 178.2813 58 F 4.3298 8.6077 113.6592 59.6698 38.1318 176.7031 59 F 3.5575 9.2176 123.7903 60.8409 39.0971 174.5914 60 G 4.0959 8.0705 110.4251 47.1725 0.0000 172.4761 61 G 3.8770 8.3196 113.9541 45.3020 0.0000 173.2847 62 L 4.1401 7.7849 121.4928 57.1032 42.2853 178.2779 63 V 3.2317 7.0578 117.2506 64.5729 31.0868 178.1804 64 G 3.7922 7.6852 104.8291 47.8867 0.0000 175.5295 65 G 3.6205 7.5429 106.6289 47.4823 0.0000 175.4333 66 A 4.0836 7.8173 124.6976 54.7181 18.5129 178.7244 67 T 4.1965 7.1712 104.6005 63.0317 70.4843 176.1138 68 S 4.0455 8.3910 118.1238 59.8218 61.7521 176.4627 69 G 3.8621 8.8684 107.7795 43.3774 0.0000 171.1896 70 P 4.5719 0.0000 0.0000 63.4445 32.5891 175.1847 71 V 4.6413 8.0217 118.7974 62.8735 34.3819 173.5289 72 F 5.0384 9.1247 131.9945 57.6674 39.7835 174.0495 73 A 4.5478 8.5038 128.6538 51.6857 20.5189 175.7412 74 M 5.2810 7.8557 118.1184 54.1863 37.7093 174.2255 75 V 4.7116 7.7414 119.3582 61.1643 34.8560 174.0285 76 W 5.2515 9.3164 127.9373 55.1337 32.3423 175.2624 77 E 5.5206 8.4720 123.1728 53.8100 32.1933 175.0262 78 G 4.1446 8.7760 106.0306 45.2024 0.0000 173.6349 79 L 3.9690 7.7906 118.8734 55.7453 42.2632 177.1848 80 N 4.1642 9.0145 117.2007 54.0416 36.7134 176.1870 81 A 4.0223 7.7529 119.3115 55.6525 18.4298 180.4591 82 A 3.9020 7.8791 117.1808 55.0398 17.2800 179.5243 83 A 4.0520 7.9948 119.0499 55.7794 18.6663 179.9177 84 T 4.1322 8.3226 108.1521 64.6470 68.7985 176.1619 85 A 4.0366 8.2040 123.9968 55.3321 18.3309 179.5683 86 R 3.9521 7.6816 112.5131 59.6125 29.0227 178.8308 87 Q 3.9837 7.3691 118.1624 58.7345 28.7140 178.5112 88 I 4.0387 7.6732 112.0324 62.1498 38.0778 177.6197 89 L 4.0852 8.2526 123.8776 56.7275 41.8764 176.3239 90 G 3.8129 7.8511 102.9184 43.9764 0.0000 172.7893 91 A 4.2402 8.0696 121.3538 51.9548 19.0888 178.0699 92 T 3.9140 8.5644 116.6306 66.6379 68.9294 174.8074 93 N 4.6053 8.0737 122.3108 51.9691 38.7935 173.5885 94 P 4.3332 0.0000 0.0000 65.6241 31.5104 176.8680 95 S 4.6812 7.9065 113.7401 58.2825 62.7678 174.3697 96 D 4.5326 7.9061 115.2159 54.5537 44.6219 174.6874 97 A 4.2974 7.8150 122.3458 51.3026 19.7787 176.4554 98 A 4.0652 8.6986 124.9285 51.9692 18.6500 174.8066 99 P 4.2883 0.0000 0.0000 64.0237 31.3022 175.5229 100 G 3.6027 7.3559 120.9024 45.5134 0.0000 172.7791 101 T 4.4869 7.1212 112.0908 59.9774 70.3719 175.9742 102 I 3.9772 7.8795 122.1194 64.2202 37.4604 179.1079 103 R 4.1437 7.6615 117.5260 58.6178 30.2841 178.2575 104 G 3.7653 7.8192 103.4801 46.5952 0.0000 173.6949 105 D 4.4080 7.5580 118.2797 54.7138 42.8037 176.7504 106 F 5.0820 7.2291 115.8752 54.5668 39.5035 175.1992 107 G 4.0402 7.1100 104.4480 45.4234 0.0000 172.3771 108 V 4.3953 8.6910 121.6745 62.3152 32.7852 175.2041 109 S 4.6690 7.6893 114.1073 57.2993 66.5585 174.8921 110 A 4.1402 8.8294 127.3426 54.7985 17.9698 178.5017 111 G 3.6128 7.0675 105.4685 47.5407 0.0000 174.1276 112 R 4.4325 7.7153 129.7345 53.5449 31.1510 175.2438 113 N 4.5180 8.1945 121.2906 51.6457 36.4896 179.6771 114 A 3.2839 7.2303 125.0727 51.5124 21.0791 177.5567 115 I 5.1818 7.5023 112.4518 58.5535 41.5304 174.3474 116 H 4.9608 9.1553 121.2191 54.6501 33.3132 172.2542 117 G 4.3067 8.4981 108.7212 45.3591 0.0000 172.7757 118 S 4.2615 8.2484 119.5096 58.3775 63.4882 175.0072 119 D 4.8452 8.3536 122.5974 54.2573 41.8124 176.4071 120 S 4.5512 7.2551 113.0186 56.4437 66.4355 176.0297 121 A 4.1603 8.3985 123.8702 54.8955 17.5612 180.3028 122 G 3.4859 7.9565 104.1717 48.1081 0.0000 175.9586 123 S 3.9531 8.1003 115.6979 60.7397 62.2635 176.1466 124 A 4.4340 8.1712 124.5500 54.2867 17.8830 178.4874 125 A 4.5965 7.8182 117.0229 52.1602 18.9031 178.0693 126 K 4.5521 7.7636 118.2553 56.8538 34.6569 178.4236 127 E 4.0920 8.1832 119.8898 58.9221 29.5776 178.1661 128 I 3.8539 7.5335 119.6112 64.6104 37.0116 178.2684 129 G 4.0225 8.1169 104.0112 48.0641 0.0000 174.6368 130 A 4.0059 7.2530 121.8485 54.5408 18.3824 179.2390 131 F 4.1645 7.9296 114.4465 59.9704 39.9553 176.4606 132 F 4.7223 9.6385 122.8485 56.7272 37.3651 175.2026 133 G 4.2464 8.1238 119.2412 45.6516 0.0000 171.8363 134 G 4.1038 8.1968 117.4863 44.9517 0.0000 174.3852 135 G 3.9439 7.5754 108.0266 46.4923 0.0000 175.1449 136 E 4.1444 8.2975 117.3958 57.7246 29.7079 176.2891 137 A 4.4631 7.3983 121.4217 50.3716 20.0110 176.6884 138 A 4.3156 8.3973 126.5120 51.8485 19.6292 177.3969 139 S 4.7362 8.3003 116.8423 57.6780 62.9179 174.7073 140 G 3.6163 8.0593 110.2335 46.1131 0.0000 174.4520 *141 T 4.2953 8.3312 117.7099 58.6297 69.2175 172.8941 *142 P 4.3434 0.0000 0.0000 61.2336 31.0903 172.9464 143 A 4.1915 8.4966 128.5072 48.2855 16.7459 176.8506 144 A 5.4573 7.5747 134.1559 52.3029 20.3517 178.8067 145 A 4.1686 7.4894 120.4533 54.6186 18.5523 180.2088 146 A 4.0719 7.9928 118.8219 55.1182 18.6948 178.3790 147 D 4.8435 7.5965 112.7472 54.7659 40.8595 176.1969 148 I 4.0152 7.3139 117.3336 62.6770 38.6647 175.6420 149 Y 4.7057 6.7533 116.3523 56.5962 40.1156 176.4449 150 G 3.8292 8.4492 108.5571 46.8273 0.0000 173.4264 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 K 8.31 4.37 0.00 1.56 0.89 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.02 7.81 3 E 9.01 3.80 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 4 R 8.56 5.59 0.00 1.69 1.77 0.00 3.28 0.00 0.00 3.74 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 5 T 8.02 4.64 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 1.33 0.00 0.00 6 F 8.85 5.16 0.00 3.23 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 7 L 7.87 5.10 0.00 1.77 1.48 0.37 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 8 M 8.28 4.71 0.00 1.66 2.20 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.41 0.00 9 V 8.58 4.54 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.08 0.00 0.00 10 K 9.03 4.24 0.00 2.11 1.80 0.00 1.89 0.00 0.00 1.87 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.53 7.81 11 P 0.00 4.42 0.00 2.18 2.14 0.00 3.95 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 12 D 8.32 4.48 0.00 2.92 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 13 G 7.91 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.79 3.60 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 1.09 0.00 0.00 15 Q 7.99 4.07 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.18 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 16 R 8.17 4.36 0.00 1.69 1.92 0.00 3.34 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 17 N 7.45 4.16 0.00 2.73 2.82 0.00 0.00 6.88 7.71 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 18 L 7.70 5.05 0.00 1.52 1.25 0.77 0.12 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 19 V 7.64 3.53 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 0.55 0.00 0.00 0.83 0.00 0.00 20 G 7.95 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 0.00 0.00 0.00 21 E 8.01 3.87 0.00 1.83 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 2.27 2.38 0.00 22 V 7.30 3.61 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 1.04 0.00 0.00 0.94 0.00 0.00 23 V 7.93 4.11 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 1.35 0.00 0.00 0.98 0.00 0.00 24 K 8.66 3.88 0.00 1.83 2.08 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.53 7.81 25 R 7.99 3.70 0.00 0.72 1.36 0.00 3.21 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.62 0.00 26 F 7.64 4.14 0.00 1.51 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 0.00 0.00 0.00 0.00 27 E 8.06 4.24 0.00 2.24 2.13 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 2.91 2.76 0.00 28 S 7.86 4.48 0.00 4.02 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 29 K 8.26 4.29 0.00 1.75 1.95 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.12 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.48 7.81 30 G 7.85 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 0.00 0.00 0.00 31 L 7.96 4.52 0.00 1.66 1.88 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.76 4.58 0.00 1.89 1.74 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.31 1.36 7.81 33 L 8.34 3.06 0.00 0.29 1.15 0.37 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.43 4.20 1.07 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 0.00 0.00 35 G 9.23 4.03 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 0.00 0.00 0.00 36 A 8.40 4.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 K 7.18 4.47 0.00 1.77 1.83 0.00 1.37 0.00 0.00 1.62 0.00 0.00 3.17 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.02 1.19 7.81 38 L 8.04 5.32 0.00 1.59 1.75 0.98 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 39 M 8.14 4.15 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 40 V 8.45 3.79 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 0.86 0.00 0.00 0.95 0.00 0.00 41 I 8.61 3.92 1.89 0.00 0.00 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 1.61 0.88 1.04 0.00 0.00 42 S 8.78 3.44 0.00 4.07 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 43 K 7.65 3.95 0.00 1.98 1.84 0.00 1.68 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.41 7.81 44 D 8.09 4.51 0.00 2.68 2.72 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 45 G 7.84 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 46 A 8.69 4.40 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 47 A 7.73 4.20 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.80 4.10 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 H 7.69 4.06 0.00 3.13 3.66 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 8.63 4.41 0.00 2.94 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 51 A 8.22 4.07 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 52 E 8.23 3.89 0.00 2.05 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 2.36 2.29 0.00 53 L 8.72 3.67 0.00 2.05 2.14 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 54 G 7.89 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.03 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 0.00 0.00 0.00 56 G 7.79 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.38 0.00 2.28 2.40 0.00 3.61 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 58 F 8.61 4.33 0.00 3.19 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 59 F 9.22 3.56 0.00 3.34 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 60 G 8.07 4.10 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 0.00 0.00 0.00 61 G 8.32 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.78 4.14 0.00 1.72 1.34 0.87 0.11 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 63 V 7.06 3.23 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 0.61 0.00 0.00 -0.91 0.00 0.00 64 G 7.69 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 65 G 7.54 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 66 A 7.82 4.08 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 T 7.17 4.20 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 1.20 0.00 0.00 68 S 8.39 4.05 0.00 4.01 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 69 G 8.87 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 0.00 0.00 0.00 70 P 0.00 4.57 0.00 2.18 2.29 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 71 V 8.02 4.64 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 1.14 0.00 0.00 1.02 0.00 0.00 72 F 9.12 5.04 0.00 3.19 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 73 A 8.50 4.55 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 74 M 7.86 5.28 0.00 1.76 2.17 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.22 0.00 75 V 7.74 4.71 1.84 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 0.84 0.00 0.00 -0.33 0.00 0.00 76 W 9.32 5.25 0.00 3.07 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.47 5.52 0.00 1.94 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 2.23 2.04 0.00 78 G 8.78 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 0.00 0.00 0.00 0.00 79 L 7.79 3.97 0.00 1.64 1.49 0.77 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 80 N 9.01 4.16 0.00 2.92 2.88 0.00 0.00 6.95 7.65 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 81 A 7.75 4.02 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 82 A 7.88 3.90 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 83 A 7.99 4.05 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 84 T 8.32 4.13 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 85 A 8.20 4.04 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 R 7.68 3.95 0.00 2.11 2.22 0.00 2.95 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.69 0.00 87 Q 7.37 3.98 0.00 2.46 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 88 I 7.67 4.04 1.77 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.87 0.87 0.00 0.00 89 L 8.25 4.09 0.00 1.99 1.78 0.98 1.15 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 90 G 7.85 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 91 A 8.07 4.24 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 92 T 8.56 3.91 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 1.27 0.00 0.00 93 N 8.07 4.61 0.00 2.83 2.73 0.00 0.00 6.89 7.71 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 94 P 0.00 4.33 0.00 2.41 2.21 0.00 3.84 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.18 0.00 95 S 7.91 4.68 0.00 3.89 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 96 D 7.91 4.53 0.00 2.61 2.74 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 97 A 7.81 4.30 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 98 A 8.70 4.07 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 99 P 0.00 4.29 0.00 2.00 1.97 0.00 3.67 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 1.99 2.04 0.00 100 G 7.36 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 0.00 101 T 7.12 4.49 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 1.27 0.00 0.00 102 I 7.88 3.98 1.97 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.71 1.08 0.00 0.00 103 R 7.66 4.14 0.00 1.87 2.00 0.00 3.26 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 104 G 7.82 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 0.00 105 D 7.56 4.41 0.00 1.79 1.54 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 0.00 106 F 7.23 5.08 0.00 3.11 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 0.00 107 G 7.11 4.04 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 0.00 0.00 0.00 108 V 8.69 4.40 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 0.89 0.00 0.00 0.96 0.00 0.00 109 S 7.69 4.67 0.00 3.88 3.70 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 0.00 110 A 8.83 4.14 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 0.00 111 G 7.07 3.61 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 0.00 0.00 0.00 112 R 7.72 4.43 0.00 1.80 2.08 0.00 3.20 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 113 N 8.19 4.52 0.00 2.97 3.14 0.00 0.00 6.23 8.06 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 0.00 114 A 7.23 3.28 1.47 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 0.00 115 I 7.50 5.18 2.10 0.00 0.00 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 1.15 1.13 1.01 0.00 0.00 116 H 9.16 4.96 0.00 3.26 3.12 0.00 5.82 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 0.00 117 G 8.50 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 0.00 0.00 0.00 0.00 118 S 8.25 4.26 0.00 3.97 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 0.00 119 D 8.35 4.85 0.00 2.66 2.70 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 0.00 120 S 7.26 4.55 0.00 3.99 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 0.00 121 A 8.40 4.16 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 0.00 122 G 7.96 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 S 8.10 3.95 0.00 3.96 4.03 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 0.00 124 A 8.17 4.43 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 0.00 125 A 7.82 4.60 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 0.00 126 K 7.76 4.55 0.00 1.72 2.01 0.00 1.33 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.44 7.81 127 E 8.18 4.09 0.00 2.12 1.64 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 2.43 2.56 0.00 128 I 7.53 3.85 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.03 0.89 0.00 0.00 129 G 8.12 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 0.00 130 A 7.25 4.01 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 0.00 131 F 7.93 4.16 0.00 2.80 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 0.00 132 F 9.64 4.72 0.00 3.07 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 0.00 133 G 8.12 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 0.00 0.00 0.00 134 G 8.20 4.10 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 0.00 0.00 0.00 135 G 7.58 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 0.00 0.00 0.00 0.00 136 E 8.30 4.14 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 137 A 7.40 4.46 1.20 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 0.00 138 A 8.40 4.32 1.22 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 0.00 0.00 139 S 8.30 4.74 0.00 3.81 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 0.00 140 G 8.06 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 *141 T 8.33 4.30 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 *142 P 0.00 4.34 0.00 1.99 1.99 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.59 0.00 143 A 8.50 4.19 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 0.00 144 A 7.57 5.46 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.49 4.17 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 A 7.99 4.07 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 D 7.60 4.84 0.00 2.74 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 0.00 148 I 7.31 4.02 1.24 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.58 0.10 0.00 0.00 149 Y 6.75 4.71 0.00 3.11 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 0.00 150 G 8.45 3.83 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.