NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4098 8.3349 115.4112 58.4626 64.2318 173.0632 1 L 4.2666 8.2305 118.6795 54.2241 41.8391 175.7827 2 R 3.9819 7.6496 120.5809 55.9341 31.5817 177.8032 3 V 3.5884 8.4687 122.5462 64.6738 31.4506 177.9304 4 E 2.5400 7.4468 117.1182 57.4466 29.5482 177.9985 5 E 4.1479 7.7595 118.7900 58.0513 30.2345 177.7663 6 T 4.2117 7.6872 110.7556 61.4150 71.0611 175.4334 7 E 4.0923 8.7868 122.5527 59.4531 29.3437 179.8365 8 V 3.7057 7.8276 117.3092 65.9223 32.1112 177.3638 9 F 4.4323 8.2440 120.1697 61.5493 39.3167 177.1484 10 K 4.3759 8.5056 118.3191 59.5244 31.6410 179.3822 11 K 4.0227 7.9576 117.6243 59.7611 32.5050 178.0599 12 Y 3.9415 7.7009 115.5444 58.6634 38.1522 175.7709 13 F 4.8598 7.8745 118.1475 56.9378 40.1499 177.1790 14 K 4.1240 8.1389 121.8773 58.8906 31.8841 177.3876 15 N 4.6579 8.0297 114.1162 52.8858 37.8576 174.5956 16 L 4.9761 7.4313 118.6370 52.9565 44.6376 176.9393 17 T 4.2597 8.5637 112.3885 61.4165 70.9787 175.6648 18 D 4.4012 8.5308 121.1934 57.5403 40.8645 179.3429 19 R 4.0226 7.8884 118.1917 59.1452 30.0385 178.6510 20 E 4.0350 8.3105 118.3453 59.6265 29.4684 179.5217 21 R 4.0646 8.4299 118.1104 59.4354 30.1115 178.9925 22 A 4.0580 8.3025 120.4374 55.2302 18.3479 179.8870 23 V 3.6402 8.0219 116.6814 65.7411 31.6193 178.0491 24 F 4.3131 8.6792 120.8193 61.5886 39.3593 177.0428 25 E 3.8279 8.7603 118.7151 59.1735 29.2117 179.6503 26 G 3.6596 8.4264 106.1393 47.5699 0.0000 175.9090 27 G 3.6590 8.4295 108.6852 47.6326 0.0000 175.5265 28 I 3.5849 7.5381 122.6309 64.5665 37.1444 178.7206 29 T 3.9849 7.7689 116.1403 66.4511 68.2560 177.0031 30 L 4.1429 8.1698 121.1854 57.6293 41.6689 179.6709 31 G 3.6245 8.3044 105.5672 47.7193 0.0000 175.2983 32 A 4.0431 8.4723 124.2366 54.8942 18.5613 179.7606 33 L 4.2148 8.1618 118.1814 58.8998 40.5680 179.0022 34 F 4.0365 8.3136 121.5535 61.6585 39.1656 176.8408 35 H 4.4819 8.3619 113.8233 58.1841 28.6822 177.3212 36 Q 3.8334 8.3513 121.5903 58.5053 29.1249 177.2860 37 F 4.6742 7.8219 116.8658 56.9930 40.2978 176.3108 38 V 3.7530 7.0322 118.4231 64.4048 31.6673 175.5337 39 G 4.0740 8.9533 115.1025 45.6017 0.0000 174.2124 40 T 4.0830 7.8681 117.5387 62.7321 69.4464 172.4774 41 P 5.0450 0.0000 0.0000 63.2119 32.1558 176.1893 42 V 4.8717 9.4176 123.9667 60.3040 35.1028 174.5793 43 S 5.1448 9.5120 118.3957 56.5733 66.6279 174.8331 44 K 3.9312 8.7862 118.9017 59.7848 32.0087 178.0732 45 Y 4.2352 7.8201 119.3827 60.2182 38.7411 176.7743 46 N 4.8319 8.1241 113.3866 51.9725 38.5023 175.4414 47 K 3.7758 8.2049 121.6891 60.3129 32.0974 178.4253 48 E 3.9196 8.0270 118.1093 59.4348 29.4265 179.3895 49 S 4.0841 7.8911 113.8491 61.1165 63.0641 176.2016 50 L 3.7924 7.9943 123.9676 57.8965 41.8985 178.5628 51 E 3.8045 8.0986 118.5671 59.4953 29.3739 179.4863 52 R 3.7808 7.9898 118.1930 59.4041 30.0926 178.4082 53 A 3.9240 8.1572 120.8565 54.9956 18.0710 179.7279 54 I 3.0650 7.2840 117.5056 64.3201 37.1925 177.9000 55 E 4.0455 7.6770 117.8654 59.8799 29.4472 179.2444 56 E 4.1247 8.1336 116.7461 59.1085 29.8695 179.7126 57 A 4.1824 8.0679 117.3901 53.1635 18.0600 179.1450 *59 K 4.2407 7.9870 120.9655 57.7677 34.1157 177.2883 60 N 4.4429 7.9338 115.2244 56.0098 38.7216 175.8958 61 Q 4.1890 7.8373 116.4317 54.4622 29.5678 173.4845 62 P 4.5002 0.0000 0.0000 64.0654 31.8249 176.3452 63 C 3.7450 9.2438 118.7828 59.9786 26.3920 172.9043 64 V 3.8476 7.4103 120.6232 63.1236 31.1677 174.9973 65 Y 4.4225 9.1472 130.0948 60.2630 39.3171 174.6002 66 D 4.5588 7.8514 115.9231 53.7735 44.9531 173.5656 67 I 4.8719 7.8466 120.3297 59.7810 41.1335 173.3406 68 K 4.7860 9.3608 130.1722 54.5577 35.4190 174.6964 69 V 4.5832 9.2099 127.2856 60.8730 33.9958 174.3452 70 K 4.7250 9.1668 129.3968 54.6496 35.0158 174.4237 71 I 4.6575 8.9085 128.6981 59.8562 37.7164 175.8686 72 R 4.3843 8.5490 125.9325 55.7902 31.6009 175.6204 73 N 4.0900 8.5093 113.9894 54.2999 36.1029 174.7829 74 V 3.8158 7.2080 114.3895 62.3201 32.4736 175.2192 75 G 4.2536 8.2098 114.9899 43.2819 0.0000 173.4638 76 E 3.9501 8.7617 117.8627 58.9710 29.5331 177.9019 77 K 4.5099 7.7626 119.2471 55.4833 33.0953 176.3773 78 Y 4.7644 8.6339 125.2143 57.3126 39.1509 174.9588 79 V 4.3376 8.7001 113.2809 59.3097 36.6981 174.9793 80 S 4.6227 8.5342 118.6246 58.1835 63.5730 174.2346 81 L 4.0884 9.0248 127.7776 55.7937 42.6438 175.5165 82 D 5.0283 8.5328 124.6202 51.0843 42.3178 177.1470 83 G 3.2764 8.5374 108.9042 48.5562 0.0000 174.9998 84 K 4.2218 7.2014 120.5657 56.0360 31.1414 177.0254 *86 L 4.1134 7.6435 117.1005 54.7935 43.4256 177.5345 87 D 4.7910 8.9452 121.9968 52.8649 44.2020 173.8011 88 V 4.8905 9.0606 126.5623 61.0244 35.0266 173.6982 89 D 5.3781 9.0166 127.5446 52.4444 43.3480 174.8606 90 L 5.1422 8.8490 125.5655 53.0344 45.6928 174.9846 91 K 4.9865 9.0788 125.1242 54.6934 35.0275 174.9577 92 I 4.9361 8.7399 126.1227 59.2786 40.0258 174.4149 93 K 4.8568 8.6543 127.9506 54.6479 34.2343 175.4024 94 I 4.4210 8.8088 128.7714 60.0894 40.0951 177.2258 95 N 4.2196 8.7794 126.3353 54.4393 37.2988 175.6658 96 K 4.3738 9.1285 124.4935 57.6388 33.5244 175.7381 97 T 4.6181 8.1642 118.6335 62.7426 70.2098 173.7877 98 V 4.8326 9.2962 126.5214 61.0614 34.2414 173.8762 99 A 4.6816 8.8988 130.6415 51.0472 20.8143 175.2815 100 H 5.0258 9.1115 120.8139 54.4448 30.4225 174.4112 101 L 4.9900 9.2242 124.1274 52.6960 44.9666 175.5423 102 K 4.7800 8.4658 122.0153 54.4384 35.3018 175.0554 103 L 5.1233 8.6008 128.8885 53.3118 44.3804 174.8218 104 E 5.2522 9.0740 123.1794 55.0939 33.6007 173.5701 105 Y 4.7450 8.7764 122.6402 57.8002 40.5299 174.1803 106 I 4.2533 8.4394 128.6035 58.9677 38.0765 174.5611 107 P 3.7842 0.0000 0.0000 65.2995 31.4949 179.0447 108 E 3.9743 8.1305 116.5536 58.5837 29.4176 177.6589 109 I 4.3034 7.4486 108.7636 59.3614 38.5330 174.8536 110 D 4.4755 7.8194 118.2707 54.2087 40.0161 172.9778 111 Y 4.9475 7.7400 119.2400 55.5768 43.1758 173.0637 112 P 4.9775 0.0000 0.0000 62.4931 31.6234 174.9422 113 L 4.8022 8.7264 131.6308 54.2027 45.5446 174.0752 *115 Y 4.7122 8.1537 115.5651 57.3501 40.0713 173.6057 116 V 4.2694 8.2927 119.0169 61.4593 32.0423 175.3355 117 K 4.4091 8.9472 130.9764 58.8830 32.5349 176.6235 118 K 4.4638 7.4294 116.2349 56.3525 35.4695 173.4720 119 F 5.3771 8.9010 118.9050 55.8167 42.0240 174.8460 120 E 4.8759 9.6703 122.1821 54.5056 31.9954 176.3408 121 E 4.3892 8.6228 121.5484 56.5554 29.8928 175.1814 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 0 S 8.33 4.41 0.00 3.98 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 1 L 8.23 4.27 0.00 1.72 1.72 0.92 0.57 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 2 R 7.65 3.98 0.00 1.84 1.95 0.00 3.10 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 3 V 8.47 3.59 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 0.58 0.00 0.00 1.04 0.00 0.00 4 E 7.45 2.54 0.00 1.59 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 2.15 2.11 0.00 5 E 7.76 4.15 0.00 2.12 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 2.31 2.17 0.00 6 T 7.69 4.21 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 1.27 0.00 0.00 7 E 8.79 4.09 0.00 2.06 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 0.00 2.44 2.35 0.00 8 V 7.83 3.71 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 1.02 0.00 0.00 1.02 0.00 0.00 9 F 8.24 4.43 0.00 3.23 3.28 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 10 K 8.51 4.38 0.00 2.18 2.01 0.00 1.83 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.66 1.85 7.81 11 K 7.96 4.02 0.00 1.80 1.92 0.00 1.34 0.00 0.00 1.64 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.70 1.16 7.81 12 Y 7.70 3.94 0.00 2.57 2.28 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 13 F 7.87 4.86 0.00 3.13 3.04 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 14 K 8.14 4.12 0.00 1.70 1.87 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.51 7.81 15 N 8.03 4.66 0.00 2.78 2.86 0.00 0.00 5.87 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 16 L 7.43 4.98 0.00 1.73 1.63 0.93 0.78 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 17 T 8.56 4.26 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 1.30 0.00 0.00 18 D 8.53 4.40 0.00 2.71 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 7.89 4.02 0.00 1.72 1.76 0.00 3.07 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.49 0.00 20 E 8.31 4.04 0.00 2.30 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 2.37 2.38 0.00 21 R 8.43 4.06 0.00 2.04 2.03 0.00 3.27 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.88 0.00 22 A 8.30 4.06 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 3.64 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 1.20 0.00 0.00 1.15 0.00 0.00 24 F 8.68 4.31 0.00 3.21 3.35 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 25 E 8.76 3.83 0.00 2.05 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 2.53 2.45 0.00 26 G 8.43 3.66 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 0.00 0.00 0.00 27 G 8.43 3.66 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 0.00 0.00 0.00 28 I 7.54 3.58 1.80 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 -0.00 0.82 0.00 0.00 29 T 7.77 3.98 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 1.22 0.00 0.00 30 L 8.17 4.14 0.00 1.70 1.74 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.30 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 32 A 8.47 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 33 L 8.16 4.21 0.00 2.20 2.17 1.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 34 F 8.31 4.04 0.00 3.32 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 35 H 8.36 4.48 0.00 3.36 3.42 0.00 5.71 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.35 3.83 0.00 1.81 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 1.56 1.16 0.00 37 F 7.82 4.67 0.00 3.25 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 38 V 7.03 3.75 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 0.61 0.00 0.00 0.14 0.00 0.00 39 G 8.95 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 0.00 0.00 0.00 40 T 7.87 4.08 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 1.27 0.00 0.00 41 P 0.00 5.04 0.00 1.76 1.49 0.00 3.62 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.06 0.00 42 V 9.42 4.87 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 0.84 0.00 0.00 0.94 0.00 0.00 43 S 9.51 5.14 0.00 4.20 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 44 K 8.79 3.93 0.00 1.83 1.96 0.00 2.00 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.50 7.81 45 Y 7.82 4.24 0.00 2.88 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 46 N 8.12 4.83 0.00 2.88 3.11 0.00 0.00 5.79 7.14 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 47 K 8.20 3.78 0.00 2.05 1.85 0.00 1.62 0.00 0.00 1.63 0.00 0.00 3.15 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.49 7.81 48 E 8.03 3.92 0.00 1.98 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 2.35 2.32 0.00 49 S 7.89 4.08 0.00 3.98 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 50 L 7.99 3.79 0.00 1.82 1.76 0.82 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.10 3.80 0.00 2.13 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 2.26 2.38 0.00 52 R 7.99 3.78 0.00 1.82 1.98 0.00 3.05 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 53 A 8.16 3.92 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 54 I 7.28 3.06 1.64 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.22 0.67 0.00 0.00 55 E 7.68 4.05 0.00 2.06 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 2.41 2.40 0.00 56 E 8.13 4.12 0.00 1.90 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 2.30 2.45 0.00 57 A 8.07 4.18 1.50 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 *59 K 7.99 4.24 0.00 1.95 1.89 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.70 7.81 60 N 7.93 4.44 0.00 2.91 2.88 0.00 0.00 7.03 7.16 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 Q 7.84 4.19 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.96 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 62 P 0.00 4.50 0.00 2.26 1.93 0.00 3.84 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.00 0.00 63 C 9.24 3.74 0.00 3.17 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 64 V 7.41 3.85 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 0.70 0.00 0.00 0.92 0.00 0.00 65 Y 9.15 4.42 0.00 2.87 3.10 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 66 D 7.85 4.56 0.00 2.51 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.85 4.87 1.84 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 0.80 0.88 0.00 0.00 68 K 9.36 4.79 0.00 1.75 1.55 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.31 7.81 69 V 9.21 4.58 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 0.71 0.00 0.00 0.86 0.00 0.00 70 K 9.17 4.72 0.00 1.79 1.73 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.36 7.81 71 I 8.91 4.66 1.83 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 1.16 0.67 0.87 0.00 0.00 72 R 8.55 4.38 0.00 1.85 1.83 0.00 3.47 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 73 N 8.51 4.09 0.00 2.81 2.86 0.00 0.00 6.90 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 74 V 7.21 3.82 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 0.76 0.00 0.00 0.96 0.00 0.00 75 G 8.21 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 76 E 8.76 3.95 0.00 1.98 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 2.33 2.26 0.00 77 K 7.76 4.51 0.00 1.75 1.66 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.28 1.41 7.81 78 Y 8.63 4.76 0.00 3.07 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 79 V 8.70 4.34 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 0.62 0.00 0.00 0.91 0.00 0.00 80 S 8.53 4.62 0.00 3.75 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 81 L 9.02 4.09 0.00 1.81 1.55 0.86 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.53 5.03 0.00 2.62 2.63 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 0.00 0.00 0.00 0.00 83 G 8.54 3.28 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 0.00 84 K 7.20 4.22 0.00 1.61 1.06 0.00 1.63 0.00 0.00 1.43 0.00 0.00 3.41 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.41 7.81 *86 L 7.64 4.11 0.00 1.71 1.66 0.79 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.95 4.79 0.00 2.78 2.63 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 0.00 0.00 0.00 0.00 88 V 9.06 4.89 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 0.94 0.00 0.00 0.93 0.00 0.00 89 D 9.02 5.38 0.00 2.58 2.51 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 0.00 0.00 0.00 90 L 8.85 5.14 0.00 1.68 1.40 0.96 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 91 K 9.08 4.99 0.00 1.89 1.75 0.00 1.88 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.06 1.34 7.81 92 I 8.74 4.94 1.87 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 1.10 1.15 1.01 0.00 0.00 93 K 8.65 4.86 0.00 1.47 1.64 0.00 1.15 0.00 0.00 1.54 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.20 7.81 94 I 8.81 4.42 1.91 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 1.33 1.24 0.99 0.00 0.00 95 N 8.78 4.22 0.00 3.00 2.13 0.00 0.00 7.07 7.61 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 96 K 9.13 4.37 0.00 1.83 1.88 0.00 1.56 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.43 7.81 97 T 8.16 4.62 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 1.34 0.00 0.00 98 V 9.30 4.83 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 0.85 0.00 0.00 0.70 0.00 0.00 99 A 8.90 4.68 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 0.00 100 H 9.11 5.03 0.00 3.05 3.19 0.00 5.60 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 9.22 4.99 0.00 1.48 1.50 0.94 0.44 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 0.00 102 K 8.47 4.78 0.00 1.13 0.74 0.00 1.74 0.00 0.00 1.55 0.00 0.00 3.18 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.14 1.22 7.81 103 L 8.60 5.12 0.00 1.81 1.50 1.07 0.76 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 0.00 104 E 9.07 5.25 0.00 2.16 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 2.47 2.43 0.00 105 Y 8.78 4.75 0.00 3.27 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 0.00 106 I 8.44 4.25 1.81 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 1.40 1.15 0.84 0.00 0.00 107 P 0.00 3.78 0.00 2.11 2.13 0.00 3.45 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 2.09 2.10 0.00 108 E 8.13 3.97 0.00 1.87 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 2.34 0.00 109 I 7.45 4.30 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.69 0.85 0.00 0.00 110 D 7.82 4.48 0.00 2.85 2.80 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 0.00 111 Y 7.74 4.95 0.00 3.32 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 0.00 112 P 0.00 4.98 0.00 2.30 2.34 0.00 2.68 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.06 0.00 113 L 8.73 4.80 0.00 2.07 1.83 1.10 1.04 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 *115 Y 8.15 4.71 0.00 3.15 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 0.00 116 V 8.29 4.27 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 0.28 0.00 0.00 0.90 0.00 0.00 117 K 8.95 4.41 0.00 1.63 1.86 0.00 1.96 0.00 0.00 1.81 0.00 0.00 3.20 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.46 7.81 118 K 7.43 4.46 0.00 1.81 1.82 0.00 1.44 0.00 0.00 1.73 0.00 0.00 2.40 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.18 1.22 7.81 119 F 8.90 5.38 0.00 2.92 2.97 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 0.00 120 E 9.67 4.88 0.00 1.89 1.86 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 2.24 2.30 0.00 121 E 8.62 4.39 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 2.19 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.