NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.3897 0.0000 0.0000 62.6896 32.0252 174.1522 6 T 3.4687 7.1737 110.1882 58.1903 70.8642 173.3480 7 I 3.6387 9.0312 127.0689 64.9295 38.1052 178.7195 8 N 4.2303 7.6790 116.6590 57.0599 38.6289 176.5741 9 Q 3.9956 8.1360 119.0587 59.1890 28.3549 179.0205 10 L 4.1358 7.9004 119.2818 57.8600 41.4649 179.6359 11 V 3.6909 7.7197 117.1835 65.7469 31.4062 177.7608 12 R 4.1767 7.4990 117.0478 58.8470 30.2846 178.3952 13 K 4.1952 8.6187 118.9435 56.5068 32.6932 178.9524 14 G 4.0015 7.6645 103.5666 45.0797 0.0000 172.7699 15 R 4.1630 7.9988 117.3566 55.6503 30.8115 175.8335 16 E 4.4743 8.2987 120.4902 53.8856 30.9439 175.4787 17 K 3.9793 8.8299 127.9207 56.9111 31.8533 176.3439 18 V 2.7964 7.4762 117.1555 60.7667 32.3372 172.6708 19 R 4.0141 8.1330 129.2486 56.2041 30.5527 175.7586 20 K 4.5823 8.3020 123.8989 54.8687 34.6245 175.9119 21 K 4.1294 8.3646 121.4739 55.5315 32.9689 176.6426 22 S 4.1313 8.5693 118.2804 57.9333 61.8424 174.3992 23 K 3.7276 8.5377 129.8984 58.0201 32.0638 176.5641 24 V 4.0009 7.5627 113.2323 62.7103 33.5958 170.9443 25 P 4.5433 0.0000 0.0000 61.8038 29.8172 176.0701 26 A 4.0851 7.9902 123.4715 52.2506 19.1356 178.5763 27 L 3.4281 7.1131 119.6229 54.6594 41.3126 174.6477 28 K 4.1045 9.5081 114.1884 57.5872 29.4414 174.8850 29 G 4.0289 8.1651 105.6031 46.1295 0.0000 174.0384 30 A 4.2496 8.3350 122.1752 50.6330 19.2300 177.1975 31 P 4.0599 0.0000 0.0000 65.2337 31.5507 176.2238 32 F 5.1002 7.5176 113.2259 55.9706 43.8467 174.0273 33 R 4.6696 8.4547 118.7078 55.3397 33.6455 173.4915 34 R 4.9207 8.8339 126.6873 55.9419 32.1396 175.2307 35 G 4.5689 8.9280 111.4603 45.3484 0.0000 170.9600 36 V 4.9738 8.7778 118.8353 60.9171 34.6843 174.8963 37 C 4.8852 8.7714 125.0182 60.1718 28.0674 173.5837 38 T 4.5153 9.0510 112.6466 62.0648 71.0966 174.7611 39 V 4.3118 7.5681 121.6802 61.5726 35.1068 173.5161 40 V 4.5613 8.5653 128.1452 61.2950 31.4999 174.4011 41 R 4.6489 8.2436 128.5324 54.9494 33.5625 174.2763 42 T 4.5180 8.2725 113.9112 61.5939 69.3341 174.4949 43 V 4.4441 8.3317 123.8549 60.1893 34.6563 174.8870 44 T 5.1360 8.1681 110.4365 59.3345 71.2104 172.3072 45 P 5.3814 0.0000 0.0000 61.1831 32.4005 178.0381 46 K 4.8437 8.8403 129.5378 56.3293 31.8365 178.6512 47 K 5.0135 7.7404 112.1669 54.6171 34.0473 174.3279 48 P 4.5037 0.0000 0.0000 63.0505 31.2610 175.4295 49 N 4.9715 7.7494 115.2469 52.6237 41.1671 174.8907 50 S 4.3658 8.2848 113.7538 57.4808 64.3569 172.4858 51 A 4.5507 8.0305 131.1623 51.8094 21.4290 174.3254 52 L 5.3655 7.9870 110.1589 52.6438 41.7064 177.7622 53 R 3.9790 8.0763 117.0029 56.8385 31.9804 177.2974 54 K 4.4971 8.5702 122.5459 55.4753 33.3323 175.9094 55 V 4.8620 8.0995 123.3652 61.0713 35.6509 174.0607 56 A 4.9550 8.5576 124.5480 50.4092 23.0390 175.5921 57 K 4.5537 9.4587 123.2776 56.0576 33.5406 176.2486 58 V 4.7964 9.1789 126.0310 60.9105 34.5365 174.2204 59 R 4.5493 9.2739 129.4967 55.8845 30.8802 175.9411 60 L 4.6664 7.9123 126.1164 53.1389 43.1960 177.5565 61 T 4.3533 7.6853 111.5115 59.8870 67.7491 175.5632 62 S 4.4608 7.8646 109.6249 58.0115 63.5547 177.7343 63 G 3.9981 8.6307 107.7563 47.5994 0.0000 174.6049 64 Y 4.1990 7.8049 117.8111 59.3982 39.7567 173.3550 65 E 5.7388 8.0729 123.7100 57.1083 32.3468 177.2626 66 V 4.7993 8.2581 120.3797 59.7266 36.8402 174.6399 67 T 4.9213 8.5628 111.7912 61.1017 70.1699 174.0913 68 A 5.0978 8.9201 125.3976 50.2574 23.2046 174.5950 69 Y 4.2233 9.4261 122.6531 57.6852 40.2888 174.9067 70 I 4.4806 6.9366 127.9403 58.6437 36.8062 173.8836 71 P 4.6105 0.0000 0.0000 62.7004 32.1183 175.2170 72 G 3.9180 8.7451 104.1581 44.8836 0.0000 174.2759 73 E 4.2876 8.6010 119.7774 54.3682 28.0275 176.1377 74 G 4.2057 9.6126 109.2299 45.5089 0.0000 169.9759 75 H 4.7179 7.9867 112.0121 55.1248 30.4345 171.6730 76 N 4.5398 8.3270 112.6155 55.9102 39.0194 175.2421 77 L 3.4493 6.4337 115.9816 52.6729 40.4816 175.4691 78 Q 4.7257 9.3706 122.2034 53.5276 31.9678 176.5218 79 E 4.2302 8.5211 119.3669 56.2412 28.4291 175.9574 80 H 4.5424 7.7172 113.2476 55.5342 33.7615 175.5357 81 S 4.2842 7.9984 116.8218 58.6981 63.5833 173.6430 82 V 4.3386 8.3372 123.6322 62.5270 32.8226 174.8755 83 V 4.7183 8.8145 126.2527 61.3986 35.8231 173.1002 84 L 5.1564 8.6204 125.9030 53.5775 44.3708 174.7873 85 I 4.9079 8.6696 126.1702 60.0183 39.1150 176.0796 86 R 4.2855 9.8361 127.4265 56.1224 31.9325 172.7782 87 G 3.7646 9.8251 112.6100 45.6669 0.0000 172.5249 88 G 3.7983 7.7446 108.6403 44.0638 0.0000 172.4393 89 R 4.2194 8.5502 121.7338 55.9610 30.5329 176.6186 90 V 4.0950 7.7626 115.9380 60.7362 32.2319 175.7468 91 K 4.1297 8.1002 128.2379 59.0378 32.7979 176.6156 92 D 4.9372 7.9803 116.7715 53.8546 41.2464 176.1792 93 L 5.1178 8.3454 121.3202 52.2141 43.2222 173.7657 94 P 4.4123 0.0000 0.0000 63.7074 32.3765 175.6774 95 G 4.2462 8.9434 113.3798 45.8207 0.0000 174.3067 96 V 3.7527 7.4842 123.9237 63.1707 31.1773 175.5289 97 R 4.5926 8.5601 126.0511 55.6858 32.0170 174.7202 98 Y 5.1550 7.9322 115.2489 56.8968 42.9073 173.5004 99 H 5.4191 9.0514 118.0302 54.1227 32.4129 173.0417 100 I 4.5145 8.9892 124.3009 60.8336 37.9735 175.8568 101 V 3.8852 8.6871 128.2712 62.1672 31.5505 176.3270 102 R 3.9983 8.5679 127.3808 57.4187 30.5738 176.6351 103 G 3.8805 8.3865 107.2927 46.1429 0.0000 173.6898 104 V 4.0870 6.7996 117.3399 61.6907 35.0342 176.5354 105 Y 3.6292 8.2085 123.2583 58.9152 36.1565 171.2060 106 D 4.4460 8.3197 122.5523 56.7943 41.1070 175.7789 107 A 4.5773 8.0634 123.2609 50.7787 20.2623 177.4996 108 A 4.4893 9.0527 125.2011 51.6326 20.3437 176.3624 109 G 4.3470 8.2683 105.7781 43.5104 0.0000 173.9333 110 V 3.8180 7.9731 122.3881 62.7406 31.6023 176.0381 111 K 4.0657 8.7079 129.6320 57.5269 32.7504 177.3866 112 D 4.6154 8.8160 122.8983 54.4029 38.9443 174.3122 113 R 4.0007 7.5212 119.9824 56.2465 30.3539 175.9852 114 K 4.5967 8.4520 123.4989 57.0222 35.8163 176.9957 115 K 4.5710 7.5498 120.7398 55.4686 30.4205 180.2427 116 S 4.1427 8.9915 129.5020 60.2566 62.4886 173.3545 117 R 4.5383 8.4368 124.3425 56.7452 32.5448 178.2342 118 S 4.0811 8.4859 111.7766 61.2652 62.6037 174.9117 119 K 4.2808 7.9989 118.2884 57.2371 32.7613 176.8900 120 Y 3.2265 8.1303 116.2521 58.9728 36.0967 170.9339 121 G 4.0130 7.0652 106.0267 47.1316 0.0000 173.6902 122 T 4.6036 8.0403 118.5248 61.4179 71.1960 175.4908 123 K 4.0873 8.4373 124.9875 56.1261 32.7810 176.4145 124 K 4.2032 8.3007 122.0061 54.4790 31.9170 174.6435 125 P 4.3876 0.0000 0.0000 62.7289 31.9864 175.2960 126 K 4.3968 8.0982 119.4309 54.8918 33.4838 176.7454 127 E 4.0002 8.7236 117.0003 56.3705 29.3808 177.3822 128 A 3.5325 7.6716 120.7267 53.0477 16.4114 177.5153 *129 A 4.1172 7.6090 126.3552 51.9984 18.9464 177.0459 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 5 P 0.00 4.39 0.00 2.06 2.09 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 6 T 7.17 3.47 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 1.24 0.00 0.00 7 I 9.03 3.64 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 1.52 1.07 0.91 0.00 0.00 8 N 7.68 4.23 0.00 2.92 2.84 0.00 0.00 7.30 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.14 4.00 0.00 2.36 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 10 L 7.90 4.14 0.00 1.80 1.72 1.02 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.72 3.69 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 0.83 0.00 0.00 0.97 0.00 0.00 12 R 7.50 4.18 0.00 2.00 1.92 0.00 3.21 0.00 0.00 3.22 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.89 0.00 13 K 8.62 4.20 0.00 1.65 1.80 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.49 7.81 14 G 7.66 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 15 R 8.00 4.16 0.00 1.81 1.87 0.00 3.34 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 16 E 8.30 4.47 0.00 1.90 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 0.00 2.20 2.26 0.00 17 K 8.83 3.98 0.00 1.75 1.72 0.00 1.88 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.41 7.81 18 V 7.48 2.80 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 0.72 0.00 0.00 0.93 0.00 0.00 19 R 8.13 4.01 0.00 1.94 2.06 0.00 3.21 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 20 K 8.30 4.58 0.00 1.88 1.76 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.42 7.81 21 K 8.36 4.13 0.00 1.75 1.79 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.49 7.81 22 S 8.57 4.13 0.00 3.85 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 23 K 8.54 3.73 0.00 1.71 1.78 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.41 7.81 24 V 7.56 4.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.46 0.00 0.00 25 P 0.00 4.54 0.00 2.32 2.27 0.00 3.88 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 2.29 2.12 0.00 26 A 7.99 4.09 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 27 L 7.11 3.43 0.00 1.68 1.58 0.52 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 28 K 9.51 4.10 0.00 1.79 1.97 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.40 7.81 29 G 8.17 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 30 A 8.34 4.25 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 31 P 0.00 4.06 0.00 2.03 1.87 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 32 F 7.52 5.10 0.00 2.91 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 33 R 8.45 4.67 0.00 1.87 1.67 0.00 3.37 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 34 R 8.83 4.92 0.00 2.08 1.76 0.00 2.78 0.00 0.00 2.64 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.45 0.00 35 G 8.93 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.78 4.97 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 0.99 0.00 0.00 0.88 0.00 0.00 37 C 8.77 4.89 0.00 3.01 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 9.05 4.52 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 1.21 0.00 0.00 39 V 7.57 4.31 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 0.91 0.00 0.00 0.93 0.00 0.00 40 V 8.57 4.56 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 0.98 0.00 0.00 41 R 8.24 4.65 0.00 1.88 1.81 0.00 3.13 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 42 T 8.27 4.52 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 43 V 8.33 4.44 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 0.86 0.00 0.00 0.98 0.00 0.00 44 T 8.17 5.14 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 1.23 0.00 0.00 45 P 0.00 5.38 0.00 2.10 2.12 0.00 3.45 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.85 0.00 46 K 8.84 4.84 0.00 1.74 1.05 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.41 1.42 7.81 47 K 7.74 5.01 0.00 1.84 1.08 0.00 1.76 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.49 7.81 48 P 0.00 4.50 0.00 2.22 2.12 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 49 N 7.75 4.97 0.00 2.74 2.75 0.00 0.00 6.53 7.58 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 50 S 8.28 4.37 0.00 3.77 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.03 4.55 1.25 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 52 L 7.99 5.37 0.00 1.51 1.61 0.93 1.03 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 53 R 8.08 3.98 0.00 1.92 2.17 0.00 3.26 0.00 0.00 3.40 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.06 0.00 54 K 8.57 4.50 0.00 1.45 1.46 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.44 7.81 55 V 8.10 4.86 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 1.03 0.00 0.00 1.00 0.00 0.00 56 A 8.56 4.95 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 57 K 9.46 4.55 0.00 1.69 1.75 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.40 7.81 58 V 9.18 4.80 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 1.01 0.00 0.00 0.97 0.00 0.00 59 R 9.27 4.55 0.00 1.88 1.77 0.00 3.13 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.95 0.00 60 L 7.91 4.67 0.00 1.64 1.51 0.90 0.81 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 61 T 7.69 4.35 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 62 S 7.86 4.46 0.00 3.89 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 63 G 8.63 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 64 Y 7.80 4.20 0.00 2.97 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 65 E 8.07 5.74 0.00 1.99 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 66 V 8.26 4.80 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 0.94 0.00 0.00 0.56 0.00 0.00 67 T 8.56 4.92 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 1.25 0.00 0.00 68 A 8.92 5.10 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 69 Y 9.43 4.22 0.00 2.95 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 70 I 6.94 4.48 1.53 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 1.13 0.51 0.62 0.00 0.00 71 P 0.00 4.61 0.00 1.92 2.23 0.00 3.68 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.91 0.00 72 G 8.75 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 73 E 8.60 4.29 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 74 G 9.61 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 0.00 0.00 0.00 0.00 75 H 7.99 4.72 0.00 3.24 3.25 0.00 5.47 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.33 4.54 0.00 2.77 2.89 0.00 0.00 5.97 7.79 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 77 L 6.43 3.45 0.00 1.85 1.80 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 9.37 4.73 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 7.18 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 79 E 8.52 4.23 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 80 H 7.72 4.54 0.00 2.99 3.25 0.00 5.96 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.00 4.28 0.00 3.82 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 82 V 8.34 4.34 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 0.49 0.00 0.00 0.90 0.00 0.00 83 V 8.81 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 0.94 0.00 0.00 1.01 0.00 0.00 84 L 8.62 5.16 0.00 1.55 1.40 0.69 1.08 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 85 I 8.67 4.91 2.13 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 1.13 0.82 0.93 0.00 0.00 86 R 9.84 4.29 0.00 1.98 2.16 0.00 3.40 0.00 0.00 3.36 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 87 G 9.83 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 88 G 7.74 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 89 R 8.55 4.22 0.00 1.85 1.88 0.00 2.98 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 90 V 7.76 4.10 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 0.50 0.00 0.00 0.64 0.00 0.00 91 K 8.10 4.13 0.00 1.70 1.77 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.56 7.81 92 D 7.98 4.94 0.00 2.71 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 93 L 8.35 5.12 0.00 1.61 1.57 1.11 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.41 0.00 2.04 2.00 0.00 3.68 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 95 G 8.94 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 96 V 7.48 3.75 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 1.01 0.00 0.00 97 R 8.56 4.59 0.00 1.21 1.38 0.00 3.03 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.78 0.00 98 Y 7.93 5.15 0.00 2.97 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 99 H 9.05 5.42 0.00 3.15 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.99 4.51 2.01 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 1.15 0.51 0.92 0.00 0.00 101 V 8.69 3.89 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 0.58 0.00 0.00 0.99 0.00 0.00 102 R 8.57 4.00 0.00 1.75 2.00 0.00 3.50 0.00 0.00 3.45 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 103 G 8.39 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 0.00 104 V 6.80 4.09 1.74 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 -0.37 0.00 0.00 0.65 0.00 0.00 105 Y 8.21 3.63 0.00 3.33 2.77 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 0.00 106 D 8.32 4.45 0.00 2.95 2.75 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 0.00 107 A 8.06 4.58 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 0.00 108 A 9.05 4.49 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 0.00 109 G 8.27 4.35 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 0.00 110 V 7.97 3.82 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 0.78 0.00 0.00 1.19 0.00 0.00 111 K 8.71 4.07 0.00 1.84 1.66 0.00 1.86 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.46 7.81 112 D 8.82 4.62 0.00 2.89 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 0.00 113 R 7.52 4.00 0.00 1.74 1.88 0.00 3.14 0.00 0.00 3.06 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.50 0.00 114 K 8.45 4.60 0.00 1.72 1.78 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.67 7.81 115 K 7.55 4.57 0.00 1.67 0.81 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.42 7.81 116 S 8.99 4.14 0.00 3.72 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 0.00 117 R 8.44 4.54 0.00 1.84 2.09 0.00 3.23 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.89 0.00 118 S 8.49 4.08 0.00 3.85 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 0.00 119 K 8.00 4.28 0.00 2.33 1.88 0.00 1.97 0.00 0.00 1.98 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.56 7.81 120 Y 8.13 3.23 0.00 3.22 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 0.00 121 G 7.07 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 T 8.04 4.60 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 1.26 0.00 0.00 123 K 8.44 4.09 0.00 1.74 1.76 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.37 7.81 124 K 8.30 4.20 0.00 1.69 1.73 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.48 7.81 125 P 0.00 4.39 0.00 2.21 2.06 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 126 K 8.10 4.40 0.00 1.85 1.71 0.00 1.61 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.59 7.81 127 E 8.72 4.00 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 128 A 7.67 3.53 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 *129 A 7.61 4.12 1.24 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 * Residues marked with a * may have inaccurate shift predictions.