NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.1790 8.0249 118.5475 59.8701 38.2769 175.5051 4 S 4.2656 7.7068 118.1772 56.7761 63.5986 173.4898 5 T 4.4282 8.9411 116.0242 60.5884 72.4413 176.0318 6 S 3.9987 8.4505 116.2139 61.2527 62.9122 176.4252 7 A 4.0982 7.9459 123.9588 55.3299 18.2140 179.2558 8 E 4.0085 8.0049 116.7393 59.5839 29.5398 179.8974 9 V 3.5601 7.6317 118.1149 66.1720 31.5628 177.7973 10 Y 4.3209 8.0025 116.6499 61.0405 37.6476 177.5443 11 Y 4.0138 8.4023 120.6776 60.5556 38.9460 177.6486 12 E 3.9268 8.5678 120.4166 59.4859 29.8348 178.5583 13 E 4.1952 8.4206 119.9910 58.3750 29.5190 178.6468 14 A 3.8604 7.7289 121.2562 54.9748 18.2382 179.4202 15 E 3.8574 7.9481 117.2079 59.3275 29.3076 179.5563 16 E 3.8032 7.8408 118.6099 59.4533 29.5594 179.2480 17 F 4.2378 7.7883 117.7217 60.4290 38.9396 177.3465 18 L 4.0258 8.3296 120.4945 58.3252 41.7692 179.1455 19 S 4.4053 7.9583 111.6778 60.1189 61.7456 175.2290 20 K 4.5343 7.9652 121.4968 55.2770 32.1869 176.8638 21 G 3.8045 8.1805 107.3810 46.9346 0.0000 175.5730 22 D 4.6389 7.3242 117.9343 52.1660 37.5708 176.3510 23 L 3.9979 7.7665 123.6556 58.2071 42.0361 179.5289 24 V 3.5087 7.6501 117.3750 66.0058 31.5299 177.8329 25 Q 3.6870 7.8307 117.3339 57.9075 28.3622 178.2638 26 A 3.8441 7.8366 122.0191 55.4032 18.5428 179.2185 27 C 4.1926 8.3552 115.4961 63.2713 28.2518 176.2252 28 E 4.0273 7.9086 120.6911 59.2026 29.1997 178.9682 29 K 4.0284 8.1049 118.5637 59.2346 32.0628 179.0154 30 Y 4.2419 8.2274 117.7012 61.0583 37.7901 177.7567 31 Y 4.1336 8.2788 120.4560 60.8358 38.8992 178.3185 32 K 3.6551 8.0263 119.0943 59.0505 31.8398 179.2155 33 A 4.1434 8.1362 120.8607 55.1798 18.4254 179.3677 34 A 4.0531 8.3276 119.6499 55.4395 18.4516 179.3935 35 E 3.8563 8.3615 117.9982 59.5909 29.6868 178.9984 36 E 3.8359 8.4172 118.6414 59.0587 29.4903 179.0960 37 A 3.9933 8.3546 121.2810 55.2827 18.4000 179.7693 38 I 3.5357 7.7063 118.1738 64.4049 37.1264 178.7827 39 K 3.3153 7.5928 119.2699 59.1523 31.7169 179.1792 40 L 3.9129 7.8121 120.4925 58.0942 42.0255 178.9747 41 L 4.0277 8.0033 119.0280 57.6350 41.4128 179.6496 42 V 3.6017 7.9771 118.4044 66.1012 31.5258 178.2614 43 I 3.7649 7.7849 119.4552 64.5581 36.8096 178.3901 44 E 4.1475 8.5737 118.1736 58.3310 29.2245 178.0793 45 N 4.7918 7.9480 114.8146 51.4650 39.5825 174.1017 46 N 4.1214 7.8715 117.3155 54.4762 38.6517 176.1699 47 L 4.3897 7.9593 116.7554 53.2311 38.5322 177.2194 48 K 4.4820 7.8707 122.3074 58.6231 32.1734 178.3056 49 E 3.9193 8.1749 119.3423 59.2456 29.4281 178.7997 50 I 3.7755 7.7942 119.8996 64.4276 37.3182 178.3912 51 T 3.6368 7.8128 110.0992 64.8593 68.2237 175.9421 52 N 4.2249 8.2615 118.9510 56.0343 38.5897 176.5929 53 N 4.3404 7.1912 117.8521 56.6606 39.3646 176.9832 54 V 3.4463 7.7205 122.1882 65.8013 31.2289 177.6954 55 K 4.6236 8.3296 125.7188 57.6473 32.4199 180.8959 56 N 5.1536 8.4993 118.6416 52.8840 39.3935 177.7396 57 K 4.4505 7.2710 116.3804 53.3992 36.2718 182.0907 58 G 4.1246 8.2554 107.0466 45.4331 0.0000 173.8923 59 R 4.4234 7.7673 117.2122 54.7965 31.9426 175.8314 60 W 3.4225 7.9723 116.5472 56.9760 26.1334 174.1510 61 K 4.2050 7.6691 118.7327 56.5827 33.0397 178.7128 62 S 4.4714 9.0674 116.3989 62.1276 62.7575 176.5334 63 E 4.0083 8.3804 121.4457 59.3872 29.0849 178.9880 64 N 4.3388 8.1702 116.3506 56.3238 38.6078 177.4312 65 L 3.7052 7.9197 119.8580 57.6176 41.6790 179.4768 66 F 3.5620 8.2481 117.6348 60.1662 38.7943 177.5619 67 K 3.8527 8.0042 118.7663 59.5263 31.9707 178.5040 68 A 3.9368 8.1567 121.5006 55.2565 18.0439 179.7070 69 S 3.9220 7.5765 111.5760 61.3500 63.1720 176.7840 70 K 4.1044 7.8557 121.9488 59.2874 31.6882 179.2431 71 L 3.9836 8.0445 119.4071 57.8830 41.5525 179.5330 72 L 4.0374 8.2975 118.4699 56.6766 41.5623 179.2514 73 R 4.0531 7.8700 119.9254 59.4921 29.8187 178.3730 74 S 4.2560 7.6243 112.0144 60.5720 62.8722 175.4757 75 N 4.8010 7.2829 118.6145 53.8210 39.3001 174.8828 76 N 4.6399 8.2437 121.2647 51.8971 40.8154 174.8266 77 T 4.0227 8.5129 116.9199 63.8352 69.1655 174.7054 78 E 4.2378 8.4655 122.9405 57.8697 30.4028 178.1128 79 I 3.7600 7.7519 120.2266 64.3220 37.2121 176.4229 80 P 4.3839 0.0000 0.0000 65.3771 30.9979 178.7752 81 I 3.8979 7.7521 118.5979 64.1435 37.1978 178.1751 82 L 4.0591 7.9279 119.4637 57.5486 41.4273 179.1048 83 W 4.3157 8.4816 128.4530 60.4149 30.4677 177.7310 84 K 3.8394 8.0304 118.9586 59.8490 31.6782 178.8972 85 S 4.0859 7.8817 115.1182 61.3816 62.6802 176.7028 86 A 3.9073 7.7807 123.4868 54.9397 18.1048 179.4688 87 W 3.9418 7.7823 127.2250 60.8595 30.6309 178.2865 88 T 3.7809 8.1292 115.8426 66.4365 67.8353 176.6410 89 L 3.9043 7.7053 120.9261 57.9553 41.6360 178.9818 90 H 3.7512 7.8469 118.0955 59.0307 29.6955 177.5679 91 V 3.1144 7.4159 120.2449 65.8719 31.1313 177.8298 92 E 4.0320 7.9577 117.2444 59.4503 29.4854 179.4096 93 G 3.6545 8.1710 105.6963 47.4176 0.0000 175.6141 94 F 4.0806 7.5460 121.8567 61.4807 39.9494 176.3653 95 H 4.1302 8.4725 115.6268 56.0725 28.4614 175.9670 96 E 3.7983 7.7064 115.7326 55.8291 27.5625 179.4232 97 L 4.3811 7.6260 119.0155 55.8516 46.1929 177.1815 98 S 3.8231 8.6834 113.0598 58.5864 59.9475 170.8484 99 L 4.1464 7.7243 123.4846 56.2477 41.5608 177.3441 100 N 5.0094 8.4960 124.2590 51.9637 41.0377 170.6378 101 E 4.1704 9.0245 129.0256 59.5301 29.5706 180.0604 102 K 4.0183 8.0543 122.6767 59.7935 31.6823 180.5760 103 E 4.2321 8.0597 118.2950 59.0318 29.6156 179.1179 104 V 3.5275 7.9874 118.5787 65.8978 31.4682 178.1740 105 K 3.8427 7.9712 118.1857 59.2725 31.6756 179.0787 106 K 3.8585 7.4126 118.5844 59.6096 32.4033 178.5383 107 L 4.1122 8.0240 119.4313 57.5779 41.5263 179.6082 108 K 3.6915 8.2733 118.8612 59.4329 32.1766 178.7420 109 E 3.9327 7.8985 120.8671 59.2460 29.4786 178.4297 110 D 4.3918 8.1899 119.2872 57.1273 40.8187 178.7653 111 V 3.6794 7.6787 118.4588 65.8076 31.5474 177.7977 112 R 3.4532 8.2428 118.6628 59.4746 29.9827 178.5862 113 K 3.6046 7.8789 118.0824 59.3102 31.9118 179.1243 114 L 4.2759 7.9862 120.6321 58.0154 42.0362 179.0435 115 V 3.5815 7.9530 118.5613 66.1237 31.4329 178.0186 116 I 3.7233 7.7030 112.7432 63.9722 37.1504 178.1078 117 F 4.3798 8.0843 119.2279 60.4921 38.5661 177.4703 118 A 4.0444 8.1045 119.1809 55.1582 18.1428 179.5202 119 V 3.6803 8.3123 117.2336 66.2670 31.6948 178.0875 120 N 4.4347 8.6127 116.7922 55.9958 38.1756 177.4793 121 S 4.2530 8.0246 114.9090 60.7649 63.1002 175.7467 122 L 4.1211 7.4948 122.7255 56.4025 41.8569 176.2116 123 E 4.2696 8.2701 117.5805 58.4010 31.5344 176.3083 *124 H 4.3632 8.7630 122.8132 55.3007 28.0150 177.7214 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 3 I 8.02 4.18 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 1.41 1.21 0.91 0.00 0.00 4 S 7.71 4.27 0.00 3.91 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 5 T 8.94 4.43 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 1.20 0.00 0.00 6 S 8.45 4.00 0.00 4.00 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 7 A 7.95 4.10 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 8 E 8.00 4.01 0.00 2.15 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 2.30 2.31 0.00 9 V 7.63 3.56 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 0.87 0.00 0.00 0.88 0.00 0.00 10 Y 8.00 4.32 0.00 3.29 3.12 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 11 Y 8.40 4.01 0.00 3.24 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 12 E 8.57 3.93 0.00 2.20 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 0.00 2.27 2.32 0.00 13 E 8.42 4.20 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 2.28 2.08 0.00 14 A 7.73 3.86 0.25 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 15 E 7.95 3.86 0.00 2.05 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 2.01 2.45 0.00 16 E 7.84 3.80 0.00 1.76 1.72 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 2.20 2.50 0.00 17 F 7.79 4.24 0.00 3.16 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 18 L 8.33 4.03 0.00 1.98 1.92 1.03 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 19 S 7.96 4.41 0.00 4.08 3.98 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 20 K 7.97 4.53 0.00 2.00 1.87 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.60 7.81 21 G 8.18 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 22 D 7.32 4.64 0.00 2.80 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 7.77 4.00 0.00 1.71 1.74 0.95 0.87 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 24 V 7.65 3.51 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 0.97 0.00 0.00 0.86 0.00 0.00 25 Q 7.83 3.69 0.00 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.00 2.31 0.00 26 A 7.84 3.84 1.52 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 0.00 0.00 27 C 8.36 4.19 0.00 2.95 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 28 E 7.91 4.03 0.00 2.01 1.98 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 2.28 2.37 0.00 29 K 8.10 4.03 0.00 1.83 2.06 0.00 1.99 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.66 1.90 7.81 30 Y 8.23 4.24 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 31 Y 8.28 4.13 0.00 3.17 3.19 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 32 K 8.03 3.66 0.00 1.06 0.74 0.00 1.42 0.00 0.00 1.07 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.19 1.48 7.81 33 A 8.14 4.14 1.75 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 34 A 8.33 4.05 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 35 E 8.36 3.86 0.00 1.67 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 2.11 2.25 0.00 36 E 8.42 3.84 0.00 2.23 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 2.69 2.85 0.00 37 A 8.35 3.99 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.71 3.54 1.69 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 1.69 0.19 0.58 0.00 0.00 39 K 7.59 3.32 0.00 1.52 1.21 0.00 1.08 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.30 0.86 7.81 40 L 7.81 3.91 0.00 1.71 1.76 0.90 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.00 4.03 0.00 1.84 1.66 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.98 3.60 2.36 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 1.32 0.00 0.00 1.02 0.00 0.00 43 I 7.78 3.76 2.01 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 1.62 0.83 0.94 0.00 0.00 44 E 8.57 4.15 0.00 1.96 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 2.51 2.49 0.00 45 N 7.95 4.79 0.00 2.77 2.79 0.00 0.00 7.11 7.60 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 46 N 7.87 4.12 0.00 2.78 2.80 0.00 0.00 7.11 7.80 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 47 L 7.96 4.39 0.00 1.94 1.62 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.87 4.48 0.00 1.78 1.86 0.00 1.95 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.53 7.81 49 E 8.17 3.92 0.00 2.01 1.93 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 2.34 2.38 0.00 50 I 7.79 3.78 2.01 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 1.57 0.71 0.88 0.00 0.00 51 T 7.81 3.64 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 1.35 0.00 0.00 52 N 8.26 4.22 0.00 2.67 2.87 0.00 0.00 6.99 7.63 0.00 0.00 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 N 7.19 4.34 0.00 2.70 2.80 0.00 0.00 7.20 7.59 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 54 V 7.72 3.45 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 -0.11 0.00 0.00 -0.58 0.00 0.00 55 K 8.33 4.62 0.00 1.84 1.67 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.32 7.81 56 N 8.50 5.15 0.00 2.64 2.66 0.00 0.00 6.48 7.09 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 57 K 7.27 4.45 0.00 1.70 1.54 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.25 0.99 7.81 58 G 8.26 4.12 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 0.00 59 R 7.77 4.42 0.00 1.85 2.07 0.00 3.42 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 60 W 7.97 3.42 0.00 3.46 3.26 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 61 K 7.67 4.21 0.00 1.86 2.05 0.00 1.70 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.50 7.81 62 S 9.07 4.47 0.00 4.39 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 63 E 8.38 4.01 0.00 2.09 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 2.38 2.41 0.00 64 N 8.17 4.34 0.00 3.06 2.86 0.00 0.00 7.01 6.79 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 65 L 7.92 3.71 0.00 1.91 0.76 0.90 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 66 F 8.25 3.56 0.00 3.11 3.03 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 67 K 8.00 3.85 0.00 1.97 1.95 0.00 1.52 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.48 7.81 68 A 8.16 3.94 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 69 S 7.58 3.92 0.00 3.88 3.39 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 70 K 7.86 4.10 0.00 2.02 1.89 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.71 7.81 71 L 8.04 3.98 0.00 1.85 1.69 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.30 4.04 0.00 1.72 1.63 0.85 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.87 4.05 0.00 1.89 2.03 0.00 3.10 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 74 S 7.62 4.26 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 75 N 7.28 4.80 0.00 2.95 2.82 0.00 0.00 6.65 7.88 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 76 N 8.24 4.64 0.00 2.32 2.30 0.00 0.00 7.01 6.76 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 77 T 8.51 4.02 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 1.19 0.00 0.00 78 E 8.47 4.24 0.00 2.06 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 0.00 2.41 2.35 0.00 79 I 7.75 3.76 1.89 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.13 0.89 0.00 0.00 80 P 0.00 4.38 0.00 2.21 2.16 0.00 3.73 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 2.12 2.44 0.00 81 I 7.75 3.90 2.09 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.98 0.96 0.00 0.00 82 L 7.93 4.06 0.00 1.98 1.85 1.02 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 83 W 8.48 4.32 0.00 3.44 3.23 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 0.00 84 K 8.03 3.84 0.00 2.15 2.05 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.27 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.60 7.81 85 S 7.88 4.09 0.00 4.01 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 86 A 7.78 3.91 1.06 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 0.00 0.00 0.00 87 W 7.78 3.94 0.00 2.66 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 88 T 8.13 3.78 4.37 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 1.17 0.00 0.00 89 L 7.71 3.90 0.00 1.92 1.74 0.88 0.94 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 90 H 7.85 3.75 0.00 1.80 2.42 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.42 3.11 1.72 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 0.85 0.00 0.00 0.01 0.00 0.00 92 E 7.96 4.03 0.00 1.95 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 2.47 2.42 0.00 93 G 8.17 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 F 7.55 4.08 0.00 2.78 3.12 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 95 H 8.47 4.13 0.00 3.28 3.28 0.00 6.01 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 7.71 3.80 0.00 2.02 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 2.19 2.13 0.00 97 L 7.63 4.38 0.00 1.70 1.52 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.68 3.82 0.00 3.79 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 99 L 7.72 4.15 0.00 1.55 1.64 0.88 0.91 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 0.00 100 N 8.50 5.01 0.00 2.69 2.65 0.00 0.00 6.46 7.66 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 0.00 101 E 9.02 4.17 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 102 K 8.05 4.02 0.00 1.80 1.81 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.11 7.81 103 E 8.06 4.23 0.00 2.12 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 2.38 2.35 0.00 104 V 7.99 3.53 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 1.00 0.00 0.00 0.97 0.00 0.00 105 K 7.97 3.84 0.00 2.01 1.82 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.61 7.81 106 K 7.41 3.86 0.00 1.80 2.00 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.62 7.81 107 L 8.02 4.11 0.00 1.77 1.63 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.27 3.69 0.00 0.79 0.88 0.00 1.14 0.00 0.00 1.36 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.89 1.42 7.81 109 E 7.90 3.93 0.00 2.05 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 0.00 2.30 2.38 0.00 110 D 8.19 4.39 0.00 2.95 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.68 3.68 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 1.44 0.00 0.00 0.99 0.00 0.00 112 R 8.24 3.45 0.00 2.11 1.99 0.00 3.13 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.05 0.00 113 K 7.88 3.60 0.00 1.99 1.59 0.00 1.73 0.00 0.00 1.57 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.53 7.81 114 L 7.99 4.28 0.00 1.94 1.97 1.07 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.95 3.58 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 0.88 0.00 0.00 1.04 0.00 0.00 116 I 7.70 3.72 1.70 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.27 0.78 0.00 0.00 117 F 8.08 4.38 0.00 3.35 2.99 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 0.00 118 A 8.10 4.04 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 119 V 8.31 3.68 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 1.01 0.00 0.00 0.97 0.00 0.00 120 N 8.61 4.43 0.00 3.03 2.90 0.00 0.00 6.76 7.98 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 0.00 121 S 8.02 4.25 0.00 4.04 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 0.00 122 L 7.49 4.12 0.00 1.83 1.75 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.27 4.27 0.00 2.01 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 2.24 2.21 0.00 *124 H 8.76 4.36 0.00 2.93 2.84 0.00 7.23 0.00 0.00 0.00 0.00 6.91 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.