NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.7325 8.1693 120.5795 54.7983 43.2983 175.4745 3 I 4.5600 8.6465 114.7033 58.8831 41.3933 172.4733 4 S 5.2606 9.3679 120.6980 57.6553 64.5789 175.2426 5 V 4.7093 8.8147 116.5828 59.0445 36.4370 174.5918 6 L 4.0375 8.7429 124.8620 55.8240 42.1018 176.0618 7 K 4.4267 9.1217 127.4760 57.9657 34.3231 176.0747 8 S 5.1660 7.5125 113.9166 57.0645 67.9805 173.4381 9 K 4.8235 9.0772 124.0396 54.9882 35.9242 174.6373 10 I 4.8001 8.9053 128.5581 59.8191 39.3408 174.6146 11 S 4.5341 8.9624 123.7477 57.0951 65.4438 174.0018 12 Y 3.6550 8.5985 119.8620 59.1026 34.4983 169.6811 13 A 4.3954 8.2353 122.3562 51.8330 19.9613 177.8502 14 T 4.7802 8.4511 120.0505 62.5084 69.9887 175.1715 15 V 3.9821 8.9726 128.0495 63.4693 31.9699 176.2718 16 T 4.4009 8.8435 118.2210 62.2991 70.5182 174.3858 17 G 4.3263 7.8099 107.7403 45.6235 0.0000 172.2229 18 K 5.0389 8.2934 118.4164 55.6955 35.7864 175.4916 19 D 4.4733 8.9025 122.5224 52.6039 43.1908 175.1723 20 L 3.9118 8.6296 127.9575 57.4923 42.7245 177.2735 21 F 4.9710 7.4341 117.7888 56.2320 37.4975 174.5497 22 Y 4.6028 7.6876 122.0115 56.7181 39.9806 175.3161 23 V 4.1329 7.0560 125.9582 62.2163 32.4302 174.9740 *25 S 4.4289 7.7729 112.1236 57.9216 64.1250 171.9889 26 I 4.7951 7.7667 125.5693 59.4562 40.9067 174.0155 27 T 4.8375 8.9444 126.7896 62.6497 70.2672 173.8861 28 I 5.0151 8.3339 126.6636 59.6315 41.1707 173.9868 29 D 4.7059 8.9370 125.8761 53.8414 41.1078 178.0609 30 S 4.2384 8.6499 121.5148 61.1780 63.5299 175.6714 31 E 4.1405 8.7979 121.3605 59.3023 29.5309 179.3811 32 I 3.6893 7.6796 118.1188 61.5230 36.7749 177.9755 *34 K 4.1846 8.2497 122.9947 56.6495 33.6518 177.6488 35 Q 3.9197 8.0381 116.0854 58.8192 28.6011 177.3949 36 A 4.2902 7.9477 117.6284 51.4714 19.0467 176.4369 37 N 4.1837 7.5984 112.4281 54.4592 36.8378 174.3087 38 I 4.5994 7.7372 116.9567 59.4650 39.6542 175.7434 39 I 4.4436 8.4021 118.2849 58.3990 39.7602 174.6897 40 E 4.1193 8.5019 122.0592 58.0765 29.6813 176.8104 41 N 4.5914 9.3909 122.1647 53.4596 37.3549 174.0789 42 E 4.2049 8.0077 120.7853 55.8212 30.9500 175.8426 43 K 4.7677 8.6449 127.8864 56.6776 33.1090 176.2672 44 V 4.7568 9.1414 119.7838 59.6686 36.6034 174.0136 45 Q 4.8615 9.1085 124.9752 55.1260 30.8470 174.4109 46 V 4.8537 9.1000 126.6737 61.2395 34.0576 174.5179 47 V 4.9687 8.8347 121.0587 59.4706 35.5269 174.0476 48 N 5.1281 8.5646 122.9947 51.8180 40.3247 175.3281 49 L 3.8398 8.7333 127.4169 57.7427 41.8776 178.8365 50 N 4.4377 8.6645 116.5199 55.6605 38.5497 175.7535 51 N 4.7184 8.2202 111.0107 51.7191 38.3970 175.4444 52 G 3.8900 8.3002 107.0811 45.5701 0.0000 173.9199 53 E 4.1710 8.4968 120.4203 56.5576 30.7420 176.2444 54 R 5.2480 8.4058 121.4860 54.3923 33.5592 174.5105 55 L 4.7493 8.9193 122.7558 54.6257 44.5950 174.2260 56 E 5.1723 8.5391 118.3787 55.3504 32.6117 175.5363 57 T 4.6797 8.6231 116.8184 61.7178 71.2921 171.2129 58 Y 5.3414 8.2420 118.0180 55.3396 41.9037 174.3944 59 V 4.6170 8.3413 119.5088 61.6768 33.6548 174.5201 60 I 4.9048 8.3538 128.0902 59.0921 40.1577 175.1664 61 K 4.2993 8.8472 126.1795 56.6629 32.8075 177.1162 62 G 4.0989 9.1762 112.7051 44.4936 0.0000 172.6327 63 E 4.6003 8.5639 119.6956 55.1765 30.6015 175.4088 64 P 4.5333 0.0000 0.0000 64.4302 31.6876 175.7472 65 N 4.3032 9.1847 116.9303 54.0780 36.2030 175.4128 66 S 4.1680 8.0054 114.3327 59.1898 63.3593 175.0953 67 K 3.8937 8.7622 118.7656 57.2764 30.0458 175.4341 68 T 4.0007 7.7723 116.8086 64.0908 69.5272 173.6375 69 I 4.9595 8.8638 126.2727 59.7066 41.0682 173.9767 70 A 5.5687 8.7874 128.6885 48.8817 22.6862 174.3144 71 L 4.8275 8.4429 121.9965 53.3456 43.5994 175.5614 72 N 5.1270 8.7491 121.3226 52.2322 41.9727 176.5801 73 G 4.2223 8.6040 108.0759 45.2632 0.0000 172.8526 74 P 4.1339 0.0000 0.0000 65.6273 31.2175 178.1098 75 A 3.9891 8.0200 118.8138 54.8430 17.8743 179.1216 76 A 3.8898 8.0931 119.5881 55.3577 18.1467 179.6013 77 R 4.1231 7.8875 114.8659 57.9508 30.0851 177.5580 78 R 4.5281 7.4912 117.2413 55.4898 30.3367 174.9470 79 C 4.7858 7.3455 110.9019 57.5424 32.8207 172.5004 80 E 4.7564 9.1058 118.4884 53.9832 33.0301 175.6423 81 I 3.9018 8.1579 121.4160 63.3077 37.4989 176.6825 82 G 4.0349 8.8910 113.9158 45.1772 0.0000 173.7715 83 D 4.5455 7.9397 119.7455 54.6815 42.2809 175.3298 84 Q 5.0323 8.5770 120.2442 54.5512 30.9934 174.6796 85 L 5.1955 9.0219 123.6181 52.9720 45.5710 175.2380 86 F 5.5399 8.9028 120.0645 55.9562 42.0392 174.7925 87 I 4.9239 8.9321 123.5553 59.6274 40.2999 174.4829 88 I 4.9505 8.9946 128.4097 59.2421 40.4799 174.7527 89 S 5.0086 8.7781 121.0554 56.7034 65.7756 172.7166 90 Y 5.2498 8.5800 118.8314 56.6582 41.2451 174.6725 91 T 4.7600 9.0633 114.8121 60.6697 71.5024 172.3733 92 Q 5.0119 8.7003 125.9909 54.9402 30.0293 175.4545 93 V 4.5909 8.8652 116.8830 59.1172 36.8242 174.6517 94 D 4.6399 8.5942 122.7971 53.5382 41.3847 175.4527 95 P 4.4603 0.0000 0.0000 64.9965 31.6224 177.3272 96 T 4.1006 8.5227 109.1529 63.3633 69.2010 175.3528 97 R 4.2382 7.5442 121.2034 55.3605 30.8272 176.1534 98 E 4.1950 8.3642 119.0721 56.1032 30.1239 177.0392 99 N 4.4739 8.4158 118.4686 53.4105 39.2158 175.1546 100 I 3.9010 8.1488 123.1262 60.7983 37.9256 175.4262 101 K 4.3013 8.4367 126.6781 54.4317 32.5021 174.3948 102 P 4.5813 0.0000 0.0000 62.4749 32.4247 176.0598 103 K 4.2700 8.7309 124.9950 55.7184 33.1616 175.2303 104 L 5.0339 8.4534 127.7387 52.8782 44.0773 176.0820 105 V 4.2551 8.8327 124.1017 61.1166 34.1353 173.6012 106 D 5.1754 8.7409 128.2964 52.8324 41.9936 175.6418 107 L 4.4165 8.9701 126.2437 54.8834 42.5337 177.2798 108 K 4.0510 8.3344 125.7805 56.5830 32.0221 176.1843 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 L 8.17 4.73 0.00 1.55 1.67 0.92 0.51 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 3 I 8.65 4.56 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.46 0.91 0.00 0.00 4 S 9.37 5.26 0.00 3.68 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 5 V 8.81 4.71 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 0.76 0.00 0.00 1.03 0.00 0.00 6 L 8.74 4.04 0.00 1.64 1.57 0.67 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 7 K 9.12 4.43 0.00 1.84 1.83 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.38 7.81 8 S 7.51 5.17 0.00 3.51 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 9 K 9.08 4.82 0.00 1.60 1.43 0.00 1.41 0.00 0.00 1.35 0.00 0.00 2.13 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.03 1.21 7.81 10 I 8.91 4.80 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.50 0.90 0.00 0.00 11 S 8.96 4.53 0.00 3.56 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 12 Y 8.60 3.65 0.00 3.27 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.24 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 14 T 8.45 4.78 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 1.28 0.00 0.00 15 V 8.97 3.98 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 1.08 0.00 0.00 0.96 0.00 0.00 16 T 8.84 4.40 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 1.33 0.00 0.00 17 G 7.81 4.33 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 0.00 18 K 8.29 5.04 0.00 1.73 1.70 0.00 1.50 0.00 0.00 1.61 0.00 0.00 2.65 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.41 7.81 19 D 8.90 4.47 0.00 2.86 2.62 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 20 L 8.63 3.91 0.00 1.53 1.13 0.68 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 21 F 7.43 4.97 0.00 3.16 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 22 Y 7.69 4.60 0.00 3.04 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 23 V 7.06 4.13 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 0.76 0.00 0.00 0.90 0.00 0.00 *25 S 7.77 4.43 0.00 2.77 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 26 I 7.77 4.80 1.74 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 1.14 1.68 0.80 0.00 0.00 27 T 8.94 4.84 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 28 I 8.33 5.02 1.85 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 1.08 0.75 0.90 0.00 0.00 29 D 8.94 4.71 0.00 2.82 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.65 4.24 0.00 4.07 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 31 E 8.80 4.14 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.57 0.00 32 I 7.68 3.69 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.54 0.91 0.00 0.00 *34 K 8.25 4.18 0.00 1.97 2.02 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.47 7.81 35 Q 8.04 3.92 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.71 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 36 A 7.95 4.29 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 37 N 7.60 4.18 0.00 2.86 2.87 0.00 0.00 6.79 7.43 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 38 I 7.74 4.60 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.73 0.91 0.00 0.00 39 I 8.40 4.44 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.79 0.92 0.00 0.00 40 E 8.50 4.12 0.00 1.98 1.94 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 2.36 2.41 0.00 41 N 9.39 4.59 0.00 2.91 2.94 0.00 0.00 6.97 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 42 E 8.01 4.20 0.00 2.18 1.89 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 2.33 2.29 0.00 43 K 8.64 4.77 0.00 1.87 1.76 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.54 7.81 44 V 9.14 4.76 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 0.64 0.00 0.00 0.92 0.00 0.00 45 Q 9.11 4.86 0.00 2.30 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 46 V 9.10 4.85 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 0.89 0.00 0.00 0.90 0.00 0.00 47 V 8.83 4.97 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 0.70 0.00 0.00 0.98 0.00 0.00 48 N 8.56 5.13 0.00 2.69 2.68 0.00 0.00 7.11 6.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.73 3.84 0.00 1.49 1.59 -0.15 0.75 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 50 N 8.66 4.44 0.00 2.87 2.84 0.00 0.00 6.82 7.52 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 51 N 8.22 4.72 0.00 2.74 2.85 0.00 0.00 6.04 7.00 0.00 0.00 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 G 8.30 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 53 E 8.50 4.17 0.00 1.92 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 2.41 2.57 0.00 54 R 8.41 5.25 0.00 1.63 1.80 0.00 3.19 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.75 0.00 55 L 8.92 4.75 0.00 1.71 1.70 0.89 0.48 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 56 E 8.54 5.17 0.00 1.85 1.90 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 2.24 2.29 0.00 57 T 8.62 4.68 4.19 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 1.11 0.00 0.00 58 Y 8.24 5.34 0.00 3.18 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 8.34 4.62 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 0.94 0.00 0.00 0.92 0.00 0.00 60 I 8.35 4.90 1.76 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.39 0.99 0.00 0.00 61 K 8.85 4.30 0.00 1.67 1.78 0.00 1.89 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.48 7.81 62 G 9.18 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 63 E 8.56 4.60 0.00 1.92 1.89 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 2.42 2.27 0.00 64 P 0.00 4.53 0.00 2.18 2.07 0.00 3.92 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 65 N 9.18 4.30 0.00 2.88 2.96 0.00 0.00 7.06 7.57 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 66 S 8.01 4.17 0.00 4.02 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 67 K 8.76 3.89 0.00 1.91 1.95 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.40 7.81 68 T 7.77 4.00 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 69 I 8.86 4.96 2.07 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 1.11 0.89 0.00 0.00 70 A 8.79 5.57 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.44 4.83 0.00 1.54 1.50 0.92 0.56 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 72 N 8.75 5.13 0.00 2.03 2.25 0.00 0.00 7.06 7.36 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 73 G 8.60 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 0.00 0.00 0.00 0.00 74 P 0.00 4.13 0.00 2.15 2.10 0.00 3.60 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 2.12 2.15 0.00 75 A 8.02 3.99 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 76 A 8.09 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 R 7.89 4.12 0.00 1.90 1.96 0.00 3.09 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 78 R 7.49 4.53 0.00 1.86 1.88 0.00 3.52 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 79 C 7.35 4.79 0.00 3.04 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 80 E 9.11 4.76 0.00 1.93 1.80 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 2.19 2.38 0.00 81 I 8.16 3.90 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 1.34 0.45 0.96 0.00 0.00 82 G 8.89 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 83 D 7.94 4.55 0.00 2.68 2.57 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 84 Q 8.58 5.03 0.00 1.95 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 85 L 9.02 5.20 0.00 1.55 1.52 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 86 F 8.90 5.54 0.00 2.74 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 87 I 8.93 4.92 1.85 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 1.22 0.68 0.88 0.00 0.00 88 I 8.99 4.95 1.76 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 1.14 0.72 0.18 0.00 0.00 89 S 8.78 5.01 0.00 3.95 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 90 Y 8.58 5.25 0.00 2.84 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 T 9.06 4.76 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 1.28 0.00 0.00 92 Q 8.70 5.01 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 93 V 8.87 4.59 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 0.75 0.00 0.00 1.01 0.00 0.00 94 D 8.59 4.64 0.00 2.68 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.46 0.00 2.22 2.17 0.00 3.81 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 96 T 8.52 4.10 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 97 R 7.54 4.24 0.00 2.01 1.90 0.00 3.33 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 98 E 8.36 4.20 0.00 1.96 1.89 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 2.32 2.28 0.00 99 N 8.42 4.47 0.00 2.71 2.76 0.00 0.00 7.00 7.45 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 0.00 100 I 8.15 3.90 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.48 0.91 0.00 0.00 101 K 8.44 4.30 0.00 1.70 1.71 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.44 7.81 102 P 0.00 4.58 0.00 1.93 1.91 0.00 3.70 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 103 K 8.73 4.27 0.00 1.87 1.66 0.00 1.45 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.45 7.81 104 L 8.45 5.03 0.00 1.49 1.48 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.83 4.26 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 0.92 0.00 0.00 0.90 0.00 0.00 106 D 8.74 5.18 0.00 2.71 2.56 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 0.00 0.00 0.00 0.00 107 L 8.97 4.42 0.00 1.94 1.74 0.95 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.33 4.05 0.00 1.30 1.56 0.00 1.54 0.00 0.00 1.50 0.00 0.00 2.13 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.25 0.95 7.81 * Residues marked with a * may have inaccurate shift predictions.