NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.4808 8.4401 118.9391 56.6003 31.1817 174.2244 3 A 4.6301 8.6415 121.6177 50.5069 23.3108 173.3939 4 K 5.1663 8.7310 119.1714 54.9261 37.5253 173.6613 5 A 4.7149 8.8728 122.3776 50.4174 21.1934 175.5354 6 I 5.5911 8.4722 121.7475 59.3747 41.5436 174.1503 7 A 4.4799 8.4064 129.8799 50.9652 22.3114 175.5161 8 R 4.6730 8.5014 124.5480 56.9743 32.4712 175.0438 9 Y 3.7575 8.8734 113.2448 58.9724 35.9313 171.4556 10 V 3.9582 7.5806 118.2988 62.7116 32.8189 176.4878 11 R 4.5849 8.5465 126.3617 55.4017 29.4969 175.4685 12 I 4.6021 7.1773 116.6572 59.3963 41.9586 174.6090 13 S 3.9953 8.4475 117.5373 57.4040 61.0651 172.8816 14 P 4.1721 0.0000 0.0000 65.7521 31.0989 177.9289 15 R 3.6449 8.2009 112.7932 59.8691 30.1330 178.4979 16 K 3.8693 8.8187 118.3365 60.0320 32.6598 178.9691 17 V 3.6248 7.9039 118.1243 66.3889 31.3095 177.8219 18 R 3.9428 8.1141 117.5256 59.5252 30.0063 178.6001 19 L 3.9622 7.9765 118.2202 58.3591 41.7190 179.3805 20 V 3.5573 7.9202 117.2707 66.7842 31.2837 178.4329 21 V 3.6385 8.2117 111.1543 64.7496 31.3773 178.2613 22 D 4.4301 8.1837 117.5734 57.4945 40.7215 179.0497 23 L 4.1771 7.8906 119.6677 57.9799 42.4673 178.7323 24 I 3.7028 8.1988 111.0288 63.7243 37.7713 174.9643 25 R 3.4580 8.4723 118.7533 51.7735 36.6468 172.6736 26 G 4.1314 7.9199 108.7538 44.6292 0.0000 172.2495 27 K 4.4101 9.5269 124.7969 55.2587 37.2020 174.8625 28 S 4.3931 8.4982 114.2847 58.9139 62.7967 173.2818 29 L 4.0993 8.6990 128.3996 57.4262 41.4587 179.7893 30 E 3.2297 8.4374 113.2906 57.2062 31.6498 177.6825 31 E 3.6144 8.6055 121.0753 59.9150 30.5649 178.8815 32 A 4.1234 8.7239 120.4325 55.2705 18.5410 179.5452 33 R 3.8498 8.1387 116.7501 59.8712 30.2065 178.9006 34 N 4.1616 8.1730 115.6468 56.0984 38.4022 177.3956 35 I 3.7030 7.9304 121.7057 64.5394 37.0585 178.4012 36 L 4.0290 7.8361 117.5801 58.0452 41.5660 178.5884 37 R 3.8016 7.7920 117.0787 59.3211 29.8844 176.1754 38 Y 5.0605 7.9087 114.5360 57.9538 38.6101 176.2580 39 T 4.2787 7.7986 115.3412 61.6268 69.1067 175.4429 40 N 4.7834 8.6918 127.0529 53.1830 38.3446 177.5954 41 K 4.4926 7.8828 114.8399 52.2917 34.0472 174.2715 42 R 4.0766 8.0937 119.9314 57.2176 30.8184 175.7552 43 G 4.2869 7.9037 110.5892 48.0229 0.0000 177.0309 44 A 3.8683 7.3517 122.2938 54.8611 18.7868 178.0226 45 Y 4.1028 8.8616 117.5975 59.8010 38.4640 178.8114 46 F 4.3543 8.6126 117.2483 60.5496 39.8219 177.9571 47 V 3.5903 8.6236 118.2876 66.0120 31.2892 177.4926 48 A 3.9194 8.4604 120.6791 55.3329 18.0574 179.2938 49 K 3.6383 8.1565 117.8185 59.6584 32.1739 178.7013 50 V 3.5007 7.8170 118.4234 66.3542 31.3089 177.6487 51 L 3.9112 8.1335 118.2886 57.9601 41.5051 179.0920 52 E 3.8647 8.3577 118.3082 59.9491 29.4433 179.9167 53 S 4.0500 8.2989 114.5167 61.5997 62.8534 176.4005 54 A 4.0676 8.0636 123.1932 55.6109 18.1264 179.6857 55 A 3.8621 8.2268 118.5393 54.8274 18.4046 179.5481 56 A 3.8574 8.0970 119.4750 55.4651 18.4510 178.8661 57 N 3.9940 8.3796 115.3878 57.7926 38.9723 175.9028 58 A 3.6406 8.3962 118.7570 57.2359 18.0682 179.1739 59 V 4.4461 7.6372 122.1918 64.1767 32.2539 177.7286 60 N 4.4707 7.9384 115.9286 56.1098 38.4480 175.6530 61 N 5.0957 8.4142 110.7405 53.0319 40.2793 174.7347 62 H 4.6989 7.8608 113.2610 54.0273 31.1321 174.0459 63 D 4.4602 8.4874 121.7387 53.3987 40.9878 173.2777 *65 L 4.3610 7.7694 116.5777 58.4065 43.9716 178.4012 66 E 3.1988 7.7299 115.7465 55.6216 32.2508 178.6371 67 D 4.3624 6.0500 120.8156 56.1407 40.1585 178.8634 68 R 4.2180 8.2860 118.3076 57.2843 30.5856 176.2595 69 L 5.3998 8.3751 119.6148 54.8288 43.2494 175.9655 70 Y 4.9645 7.6679 118.0376 56.5145 41.5530 172.8387 71 V 4.3699 8.7732 113.0344 60.8129 32.6291 177.2116 72 K 4.5664 8.4333 126.4909 56.7612 32.8346 175.8739 73 A 4.5125 7.5502 120.0067 52.5576 22.0967 174.9017 74 A 5.1989 8.5176 119.6337 51.2757 22.3288 175.4552 75 Y 5.0682 9.6589 119.4575 55.9194 41.7376 173.9452 76 V 4.8220 8.3998 120.0026 60.0878 34.6913 174.4971 77 D 4.8123 8.8111 121.8561 52.4329 44.6043 174.9238 78 E 4.4461 8.9798 124.5122 55.5348 30.5610 176.3646 79 G 4.0050 8.8241 115.7913 44.1491 0.0000 172.9705 80 P 4.3438 0.0000 0.0000 63.3928 31.6607 174.7383 81 A 4.7590 8.4161 123.3639 50.8560 21.6788 176.9633 82 L 4.4597 8.6623 119.9505 52.6876 42.5805 175.0731 83 K 4.3581 8.3342 120.6700 56.1426 32.3548 176.1693 84 R 4.1995 8.8741 125.9263 55.3767 31.3273 176.7445 85 V 4.3105 8.4630 118.8565 60.7375 31.4000 175.6408 86 L 4.6566 8.5835 126.7552 51.9317 44.9162 173.7290 87 P 4.1868 0.0000 0.0000 62.5703 31.5699 177.0977 88 R 4.1808 8.7857 122.3171 56.0525 30.7233 178.1734 89 A 4.4140 8.7642 122.9431 52.3945 17.1897 177.7629 90 R 3.8414 12.0000 114.7170 58.1445 27.9818 177.5219 91 G 3.7390 6.9949 112.8626 44.4958 0.0000 173.6700 92 R 4.4218 7.3716 114.6791 53.2513 32.3453 176.0267 93 A 4.5628 8.3462 126.1487 51.8116 19.5191 176.2205 94 D 4.6920 8.5166 118.1738 53.2513 45.0775 175.5054 95 I 5.5325 8.6831 124.0520 59.3119 40.1957 174.9861 96 I 4.6251 7.8716 115.4068 59.5509 40.9505 173.9043 97 K 4.9393 8.5584 125.2368 54.7559 33.1888 176.6501 98 K 4.1757 9.0303 125.7105 56.4696 33.5478 176.7086 99 R 4.8941 8.3417 122.3097 54.2221 31.9733 175.7364 100 T 4.1519 8.3694 115.1788 62.3801 70.1505 173.3322 101 S 4.9305 9.2071 118.9733 57.1368 67.1822 172.7041 102 H 4.8175 9.0262 121.3423 54.8979 30.2047 174.2013 103 I 4.6990 8.7339 125.6616 59.6779 39.3624 174.9000 104 T 5.2002 8.5937 117.5057 59.9770 71.7570 173.5074 105 V 4.9792 9.0253 118.1351 59.7965 36.7532 174.0681 106 I 4.4569 8.8040 125.6270 59.9306 38.9811 174.2853 107 L 4.8688 8.7124 129.8477 53.2064 44.2118 175.3549 108 G 4.5004 8.2637 112.5657 44.2333 0.0000 172.0545 109 E 4.7695 8.7803 120.9547 54.8847 31.3100 176.8000 110 K 3.8846 8.6551 120.4645 57.1319 32.1805 175.8537 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 E 8.44 4.48 0.00 2.08 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 2.18 2.33 0.00 3 A 8.64 4.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.73 5.17 0.00 1.58 1.82 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.39 7.81 5 A 8.87 4.71 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 6 I 8.47 5.59 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.32 0.87 0.00 0.00 7 A 8.41 4.48 1.11 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 8 R 8.50 4.67 0.00 1.86 1.98 0.00 3.94 0.00 0.00 3.52 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.95 0.00 9 Y 8.87 3.76 0.00 2.90 2.95 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 10 V 7.58 3.96 2.37 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 1.03 0.00 0.00 0.90 0.00 0.00 11 R 8.55 4.58 0.00 1.96 1.95 0.00 3.38 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 12 I 7.18 4.60 2.05 0.00 0.00 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 1.27 0.66 0.93 0.00 0.00 13 S 8.45 4.00 0.00 3.85 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 14 P 0.00 4.17 0.00 2.19 2.04 0.00 3.97 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.12 0.00 15 R 8.20 3.64 0.00 1.85 1.89 0.00 3.17 0.00 0.00 3.34 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.78 0.00 16 K 8.82 3.87 0.00 1.75 1.91 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.49 7.81 17 V 7.90 3.62 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 1.09 0.00 0.00 1.00 0.00 0.00 18 R 8.11 3.94 0.00 2.07 2.02 0.00 3.23 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 19 L 7.98 3.96 0.00 1.84 1.77 0.93 0.62 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 20 V 7.92 3.56 2.43 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 1.08 0.00 0.00 0.98 0.00 0.00 21 V 8.21 3.64 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 0.86 0.00 0.00 1.02 0.00 0.00 22 D 8.18 4.43 0.00 2.89 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 23 L 7.89 4.18 0.00 1.80 1.84 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.20 3.70 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.74 0.99 0.00 0.00 25 R 8.47 3.46 0.00 2.23 2.06 0.00 3.23 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 26 G 7.92 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 0.00 0.00 0.00 0.00 27 K 9.53 4.41 0.00 2.11 2.02 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.44 7.81 28 S 8.50 4.39 0.00 3.90 4.07 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 29 L 8.70 4.10 0.00 1.83 1.51 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.44 3.23 0.00 2.09 1.71 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 2.36 2.41 0.00 31 E 8.61 3.61 0.00 1.98 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 0.00 2.34 2.39 0.00 32 A 8.72 4.12 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 33 R 8.14 3.85 0.00 1.94 1.98 0.00 3.13 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.11 0.00 34 N 8.17 4.16 0.00 2.85 2.80 0.00 0.00 7.10 6.98 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 35 I 7.93 3.70 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.80 0.94 0.00 0.00 36 L 7.84 4.03 0.00 1.61 1.92 0.92 0.94 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 37 R 7.79 3.80 0.00 1.71 1.88 0.00 2.91 0.00 0.00 2.46 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.42 0.00 38 Y 7.91 5.06 0.00 2.97 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 39 T 7.80 4.28 4.49 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 1.32 0.00 0.00 40 N 8.69 4.78 0.00 2.72 1.93 0.00 0.00 7.15 6.68 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 41 K 7.88 4.49 0.00 1.96 1.86 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.53 7.81 42 R 8.09 4.08 0.00 1.67 1.81 0.00 3.18 0.00 0.00 2.93 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.38 0.00 43 G 7.90 4.29 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 0.00 44 A 7.35 3.87 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 45 Y 8.86 4.10 0.00 3.13 2.76 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 46 F 8.61 4.35 0.00 3.38 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 47 V 8.62 3.59 2.32 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 1.13 0.00 0.00 1.02 0.00 0.00 48 A 8.46 3.92 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 49 K 8.16 3.64 0.00 1.53 1.93 0.00 1.53 0.00 0.00 1.47 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.48 7.81 50 V 7.82 3.50 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 1.02 0.00 0.00 0.94 0.00 0.00 51 L 8.13 3.91 0.00 1.96 1.68 0.99 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.36 3.86 0.00 2.10 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 2.56 2.47 0.00 53 S 8.30 4.05 0.00 3.79 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 54 A 8.06 4.07 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 55 A 8.23 3.86 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 56 A 8.10 3.86 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 57 N 8.38 3.99 0.00 2.90 2.95 0.00 0.00 7.16 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 58 A 8.40 3.64 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 59 V 7.64 4.45 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.00 0.00 0.00 60 N 7.94 4.47 0.00 2.96 2.85 0.00 0.00 6.76 8.16 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 61 N 8.41 5.10 0.00 2.70 2.78 0.00 0.00 6.94 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 7.86 4.70 0.00 3.18 3.27 0.00 5.85 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.49 4.46 0.00 2.90 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 *65 L 7.77 4.36 0.00 2.02 1.69 0.93 0.77 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 66 E 7.73 3.20 0.00 2.03 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 67 D 6.05 4.36 0.00 2.78 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 68 R 8.29 4.22 0.00 2.06 2.15 0.00 3.13 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 69 L 8.38 5.40 0.00 1.60 1.53 0.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 7.67 4.96 0.00 3.21 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 71 V 8.77 4.37 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 1.09 0.00 0.00 72 K 8.43 4.57 0.00 1.47 1.70 0.00 2.04 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.57 7.81 73 A 7.55 4.51 1.14 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 74 A 8.52 5.20 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 75 Y 9.66 5.07 0.00 3.00 2.91 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 0.00 0.00 0.00 76 V 8.40 4.82 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 0.77 0.00 0.00 1.07 0.00 0.00 77 D 8.81 4.81 0.00 2.50 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 78 E 8.98 4.45 0.00 1.96 1.82 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 2.25 2.28 0.00 79 G 8.82 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 80 P 0.00 4.34 0.00 1.86 2.07 0.00 3.54 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 1.85 1.73 0.00 81 A 8.42 4.76 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 82 L 8.66 4.46 0.00 1.65 1.56 0.84 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.33 4.36 0.00 1.62 1.79 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.45 7.81 84 R 8.87 4.20 0.00 2.06 1.82 0.00 3.14 0.00 0.00 3.15 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 85 V 8.46 4.31 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.92 0.00 0.00 86 L 8.58 4.66 0.00 1.72 1.59 0.91 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.19 0.00 1.93 2.00 0.00 3.68 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 2.03 2.17 0.00 88 R 8.79 4.18 0.00 1.88 1.98 0.00 3.02 0.00 0.00 3.78 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 89 A 8.76 4.41 1.30 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 0.00 0.00 90 R 12.00 3.84 0.00 1.95 2.01 0.00 3.22 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 91 G 6.99 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 92 R 7.37 4.42 0.00 1.86 1.84 0.00 3.17 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 93 A 8.35 4.56 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 94 D 8.52 4.69 0.00 2.55 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.68 5.53 1.86 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 1.19 0.96 0.94 0.00 0.00 96 I 7.87 4.63 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.46 0.90 0.00 0.00 97 K 8.56 4.94 0.00 1.64 1.77 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.70 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.43 7.81 98 K 9.03 4.18 0.00 1.64 1.71 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.55 7.81 99 R 8.34 4.89 0.00 1.63 1.90 0.00 3.36 0.00 0.00 3.32 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.59 0.00 100 T 8.37 4.15 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 1.07 0.00 0.00 101 S 9.21 4.93 0.00 3.74 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 0.00 102 H 9.03 4.82 0.00 3.26 3.04 0.00 5.57 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.73 4.70 1.84 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.04 0.90 0.00 0.00 104 T 8.59 5.20 4.52 0.00 0.00 0.00 0.00 0.00 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 0.00 105 V 9.03 4.98 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 0.78 0.00 0.00 0.98 0.00 0.00 106 I 8.80 4.46 2.05 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 1.08 0.80 0.79 0.00 0.00 107 L 8.71 4.87 0.00 1.71 1.45 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.26 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.78 4.77 0.00 2.05 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 2.31 2.36 0.00 110 K 8.66 3.88 0.00 1.79 1.77 0.00 1.54 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.