NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 T 4.1817 8.1744 110.9431 61.0696 70.6912 173.4968 8 D 4.4556 7.7471 123.3311 50.5921 40.2999 174.1567 9 P 4.3310 0.0000 0.0000 65.4439 32.2531 177.2658 10 R 4.2582 7.9256 114.9810 56.2320 30.5615 176.6763 11 A 4.1311 7.7517 121.8618 51.2706 18.9413 177.2056 12 K 3.8287 8.6632 121.4972 56.3392 32.6149 176.2604 13 W 4.2883 8.9349 135.0000 57.8730 31.0087 175.5013 14 V 3.9666 7.3972 123.7794 59.9626 32.2422 173.1671 15 P 4.0447 0.0000 0.0000 62.1993 32.1245 176.2673 16 Q 4.6137 8.8490 119.0000 54.6232 31.5985 175.1490 17 D 5.2393 8.6614 119.2514 54.5177 41.5312 175.9996 18 N 5.0138 8.2942 113.0187 52.1255 38.7738 173.8229 19 D 4.3772 7.9223 119.7278 53.5521 42.9384 175.0567 20 I 2.8596 8.0453 119.9886 61.5542 38.0140 176.2463 21 Q 4.4094 8.1527 118.9554 55.8149 30.0805 175.5287 22 A 4.5148 7.5439 121.9714 51.3255 19.5837 177.9448 23 C 4.7052 8.8844 118.6184 59.2694 40.8385 174.1496 24 D 4.5517 8.0910 118.7554 53.1039 40.5471 175.5779 25 Y 4.7483 8.1786 122.0547 57.8567 39.2064 177.1227 26 W 4.4851 7.5298 123.8805 59.6626 28.2280 177.8076 27 R 3.4176 5.9470 117.7779 58.1979 29.7447 176.1370 28 H 5.1038 8.2816 115.7850 56.4145 28.9801 174.4724 29 C 2.9669 8.2643 115.6564 56.6217 42.5670 174.2972 30 S 4.8386 7.5559 114.4923 57.1683 62.9025 173.5392 31 I 3.2410 7.3111 118.8636 60.1276 38.8748 174.0914 32 D 5.0132 9.5472 127.9546 54.4056 43.7459 173.2713 33 G 4.2016 7.5777 120.1876 44.5699 0.0000 174.2691 34 N 5.4175 9.4535 123.6636 50.6184 41.7990 173.5179 35 I 4.0670 8.3475 123.0429 61.4450 37.4878 176.7187 36 C 4.2766 8.8746 124.4503 59.5564 40.1790 175.7655 37 D 4.2766 8.0322 118.6883 56.7061 41.0152 177.6644 38 C 4.6364 7.9842 114.6642 57.3160 40.4464 173.9487 39 S 4.5963 8.0745 113.3007 57.9850 62.9380 174.9753 40 G 3.9805 8.4826 108.8788 45.5706 0.0000 174.6953 41 G 4.1161 7.3852 110.0775 45.0368 0.0000 171.2673 42 S 5.2977 8.4191 113.4607 56.6958 65.8740 173.9217 43 L 3.7370 8.5931 120.3544 58.3531 41.8369 178.8548 44 T 4.6241 7.4840 103.7177 60.6491 70.6110 173.1153 45 N 5.0394 7.6648 120.3570 51.4049 41.4198 173.4191 46 C 4.6459 8.4893 119.1894 56.0103 36.2732 172.1919 47 P 4.6409 0.0000 0.0000 60.8776 31.6322 174.1760 48 P 4.1390 0.0000 0.0000 64.8324 31.2494 176.7496 49 G 3.9488 9.0115 110.1338 45.0497 0.0000 173.0841 50 T 4.2836 6.7193 109.4380 60.2819 71.2586 174.1057 51 K 4.5483 8.5520 121.2112 54.4007 35.0425 175.4437 52 L 4.6168 8.7097 127.4887 54.0786 42.9179 176.0940 53 A 4.5303 8.6980 129.0193 52.5407 18.7660 177.0802 54 T 4.1278 8.5435 109.6762 63.3970 69.9445 175.7633 55 A 4.4393 7.8745 123.4733 51.2986 20.4045 177.7635 56 S 3.9561 7.0931 117.6749 58.5719 66.2424 178.7401 *58 V 4.5614 8.1239 111.3041 61.4724 33.0108 173.0828 59 A 4.9626 8.3251 122.4352 50.6429 23.0400 175.3135 60 S 5.0071 8.7421 115.1128 57.9625 64.2470 174.0622 61 C 5.2118 9.1683 122.9960 55.0475 42.6967 172.5860 62 Y 4.6140 9.0524 125.6658 57.4031 39.1987 174.2867 63 N 3.5080 8.5771 127.4005 51.3949 38.9294 173.9164 64 P 4.2773 0.0000 0.0000 65.1067 31.7959 178.0396 65 T 3.9023 7.4311 116.1837 66.0701 68.7863 176.4826 66 D 4.6963 7.2393 120.2445 57.6733 40.1029 178.2378 67 G 3.4832 6.6392 105.3832 46.1029 0.0000 175.3217 68 Q 4.4518 7.3016 120.8487 54.0155 31.8754 174.7121 69 S 5.0683 8.2646 119.1102 58.3648 64.2833 173.3198 70 Y 4.9243 9.2124 120.2192 56.0441 42.4505 174.3975 71 L 4.7179 8.5005 125.5602 55.0087 43.5244 175.5180 72 I 4.5036 8.6742 127.7192 59.9619 39.1195 174.7919 73 A 4.3633 8.0179 128.8400 50.6231 19.9035 176.7527 74 Y 4.6774 8.2188 121.1391 57.2648 36.6814 175.0998 75 R 4.5081 8.0556 121.8310 55.4548 32.5964 174.8358 76 D 5.2650 8.5557 122.5381 53.3365 43.3847 174.8961 77 C 5.0876 8.7673 120.2361 56.5384 42.2057 172.3220 78 C 5.8195 8.4252 120.5588 54.5723 44.5711 174.9263 79 G 4.1662 8.7441 105.6950 46.1866 0.0000 173.0849 80 Y 4.8514 7.4973 114.7947 55.3544 41.8408 174.7644 81 N 4.4544 8.7072 120.9688 53.2724 39.5064 174.9679 82 V 3.9646 8.8062 121.5373 61.3549 31.5818 177.3532 83 S 3.9524 8.5633 119.3228 59.6196 62.8020 175.7722 84 G 3.9593 7.7732 106.7172 45.4358 0.0000 173.0746 85 R 4.5429 7.8793 117.9663 55.4562 33.4461 175.1331 86 C 4.2543 8.7760 117.7078 57.4683 37.6316 171.6126 87 P 5.1320 0.0000 0.0000 63.1487 32.3640 176.7835 88 C 5.1122 9.0089 117.4951 55.5628 45.2921 172.9279 89 L 5.0602 8.3675 122.6997 53.9265 44.5052 174.9005 90 N 5.2069 9.3848 123.5138 51.2411 43.5083 174.4108 91 T 4.9080 7.8305 109.7118 61.2253 69.9253 173.4092 92 E 3.9639 8.3143 123.4592 59.1149 29.0710 177.4098 93 G 3.7122 8.7393 111.8907 45.3038 0.0000 171.6730 94 E 4.3581 8.0743 121.3329 55.8647 29.8842 176.1974 95 L 4.7432 8.1321 126.3187 52.2436 44.8084 174.5456 96 P 4.6038 0.0000 0.0000 62.3114 32.3283 177.7407 97 V 3.7193 8.5133 119.4697 64.9651 31.4846 176.8057 98 Y 4.4603 8.1914 115.8068 58.0784 38.7085 175.9314 99 R 4.6595 7.6077 119.5586 53.9331 30.5582 174.3018 100 P 4.5300 0.0000 0.0000 65.4168 32.0564 179.3794 101 E 3.6519 8.1905 116.2781 58.3540 29.5727 177.4578 102 F 5.1049 8.3635 114.6415 56.0090 39.7876 174.2283 103 A 4.9725 8.2966 125.6855 51.4199 18.9400 177.3011 104 N 5.0014 9.5020 120.4628 53.0119 37.7050 175.7737 105 D 4.7249 7.8328 118.0213 55.3598 41.5096 176.8879 106 I 3.5428 7.2781 120.2547 60.6110 37.5229 175.6296 107 I 3.7401 7.7828 125.7957 61.1755 37.3548 177.1610 108 W 4.9352 9.5082 129.8556 55.6039 27.6049 176.1258 109 C 5.0302 7.3525 114.6124 55.8790 41.1925 174.5546 110 F 4.4875 7.6628 119.4274 59.2856 38.9171 176.2144 111 G 3.9300 9.1628 111.3935 45.4753 0.0000 173.6630 112 A 4.9655 7.5703 122.1064 51.0866 18.8879 177.4446 113 E 4.1091 8.6279 120.1440 58.2254 30.0212 177.6135 114 D 4.4260 9.2305 120.0189 54.8489 38.3410 173.8478 115 D 4.4135 8.1543 115.5482 54.8460 38.8741 173.6972 116 A 3.9849 7.4853 121.7068 53.5680 18.3965 178.2171 117 M 4.6521 8.5931 120.3375 54.8380 34.0173 175.3300 118 T 4.4961 7.5611 110.1149 60.5876 71.4237 173.2305 119 Y 4.3773 8.5390 125.5666 57.9300 39.5808 174.6075 120 H 4.6568 8.5268 127.5938 57.4002 31.6041 172.1409 121 C 5.1135 6.3132 109.6228 55.2084 44.2440 172.3933 122 T 5.2738 8.6578 117.3048 61.9063 70.7722 173.7273 123 I 4.6391 8.6160 118.8582 59.0309 40.2470 175.5693 124 S 4.8120 8.4594 118.8847 56.7007 62.8630 172.7592 125 P 4.4275 0.0000 0.0000 61.8245 32.7566 176.6166 126 I 4.1943 8.0998 122.3051 61.8250 37.4683 176.2829 127 V 4.3788 9.9352 117.6594 60.1168 33.0232 175.4026 128 G 4.0548 6.9408 109.7508 44.0772 0.0000 173.9510 129 K 4.4631 8.2465 123.8797 55.7399 35.1132 175.4960 130 A 4.6841 9.2848 126.0546 50.1239 21.6253 176.6081 131 S 4.6162 8.4903 113.6665 59.4673 63.6474 177.0355 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 7 T 8.17 4.18 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 8 D 7.75 4.46 0.00 2.79 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.33 0.00 2.24 2.20 0.00 3.82 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 10 R 7.93 4.26 0.00 2.00 2.03 0.00 3.18 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 11 A 7.75 4.13 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 12 K 8.66 3.83 0.00 1.76 1.81 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.56 7.81 13 W 8.93 4.29 0.00 3.43 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 14 V 7.40 3.97 1.88 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 0.78 0.00 0.00 0.86 0.00 0.00 15 P 0.00 4.04 0.00 2.16 2.20 0.00 3.53 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 16 Q 8.85 4.61 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.97 0.00 0.00 0.00 0.00 0.00 2.25 2.47 0.00 17 D 8.66 5.24 0.00 2.62 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 18 N 8.29 5.01 0.00 2.84 2.91 0.00 0.00 6.01 8.06 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 19 D 7.92 4.38 0.00 2.68 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 20 I 8.05 2.86 1.23 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 1.15 0.51 -0.12 0.00 0.00 21 Q 8.15 4.41 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00 22 A 7.54 4.51 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 23 C 8.88 4.71 0.00 3.13 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 24 D 8.09 4.55 0.00 2.55 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 25 Y 8.18 4.75 0.00 3.49 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 26 W 7.53 4.49 0.00 3.57 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 27 R 5.95 3.42 0.00 1.45 1.58 0.00 2.97 0.00 0.00 2.88 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 28 H 8.28 5.10 0.00 3.63 3.42 0.00 5.62 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.26 2.97 0.00 1.75 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 7.56 4.84 0.00 3.77 3.51 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 31 I 7.31 3.24 1.87 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 1.11 1.39 0.92 0.00 0.00 32 D 9.55 5.01 0.00 2.66 2.44 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 33 G 7.58 4.20 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 0.00 34 N 9.45 5.42 0.00 2.71 2.90 0.00 0.00 7.38 7.31 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 35 I 8.35 4.07 1.86 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 1.04 0.87 0.99 0.00 0.00 36 C 8.87 4.28 0.00 2.98 3.11 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 37 D 8.03 4.28 0.00 2.71 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 38 C 7.98 4.64 0.00 3.03 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 39 S 8.07 4.60 0.00 4.07 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 40 G 8.48 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 0.00 0.00 0.00 41 G 7.39 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 42 S 8.42 5.30 0.00 3.87 3.93 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 0.00 0.00 0.00 43 L 8.59 3.74 0.00 1.66 1.66 0.86 0.52 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 44 T 7.48 4.62 4.20 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 1.16 0.00 0.00 45 N 7.66 5.04 0.00 2.66 2.68 0.00 0.00 6.97 7.54 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 46 C 8.49 4.65 0.00 2.89 2.90 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 0.00 0.00 0.00 47 P 0.00 4.64 0.00 1.95 2.13 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.20 0.00 48 P 0.00 4.14 0.00 2.15 2.05 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 49 G 9.01 3.95 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 0.00 0.00 0.00 50 T 6.72 4.28 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 0.20 0.00 0.00 51 K 8.55 4.55 0.00 1.64 1.97 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.34 1.60 7.81 52 L 8.71 4.62 0.00 1.76 1.52 0.91 1.10 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 53 A 8.70 4.53 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 54 T 8.54 4.13 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 1.31 0.00 0.00 55 A 7.87 4.44 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.09 3.96 0.00 4.12 3.18 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 0.00 0.00 0.00 *58 V 8.12 4.56 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 1.10 0.00 0.00 0.86 0.00 0.00 59 A 8.33 4.96 1.41 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 0.00 0.00 0.00 60 S 8.74 5.01 0.00 3.98 3.99 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 61 C 9.17 5.21 0.00 3.25 3.60 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 0.00 0.00 0.00 0.00 62 Y 9.05 4.61 0.00 3.05 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 63 N 8.58 3.51 0.00 1.44 2.25 0.00 0.00 6.52 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.28 0.00 2.20 2.25 0.00 3.35 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.16 0.00 65 T 7.43 3.90 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 1.13 0.00 0.00 66 D 7.24 4.70 0.00 2.80 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 67 G 6.64 3.48 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 0.00 68 Q 7.30 4.45 0.00 1.86 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.89 0.00 0.00 0.00 0.00 0.00 1.82 2.05 0.00 69 S 8.26 5.07 0.00 3.80 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 70 Y 9.21 4.92 0.00 3.31 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 71 L 8.50 4.72 0.00 1.79 1.60 1.05 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 72 I 8.67 4.50 1.27 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 1.11 1.13 0.09 0.00 0.00 73 A 8.02 4.36 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 74 Y 8.22 4.68 0.00 2.94 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 75 R 8.06 4.51 0.00 1.78 1.87 0.00 3.07 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.63 0.00 76 D 8.56 5.26 0.00 2.85 2.58 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 0.00 0.00 0.00 0.00 77 C 8.77 5.09 0.00 2.74 2.86 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 78 C 8.43 5.82 0.00 2.75 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 79 G 8.74 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 0.00 0.00 0.00 0.00 80 Y 7.50 4.85 0.00 2.58 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 81 N 8.71 4.45 0.00 2.67 2.76 0.00 0.00 7.02 7.71 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 82 V 8.81 3.96 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 1.01 0.00 0.00 1.11 0.00 0.00 83 S 8.56 3.95 0.00 3.94 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 84 G 7.77 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 0.00 0.00 0.00 85 R 7.88 4.54 0.00 1.77 1.82 0.00 3.34 0.00 0.00 3.48 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 86 C 8.78 4.25 0.00 3.12 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 87 P 0.00 5.13 0.00 2.19 2.07 0.00 3.75 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 88 C 9.01 5.11 0.00 2.86 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 89 L 8.37 5.06 0.00 1.52 1.47 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 90 N 9.38 5.21 0.00 2.37 2.21 0.00 0.00 6.05 6.60 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 91 T 7.83 4.91 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 1.14 0.00 0.00 92 E 8.31 3.96 0.00 1.70 1.79 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 1.71 1.47 0.00 93 G 8.74 3.71 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 0.00 0.00 0.00 94 E 8.07 4.36 0.00 1.94 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 2.56 2.52 0.00 95 L 8.13 4.74 0.00 1.56 1.42 0.88 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 4.60 0.00 2.00 2.15 0.00 3.21 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.12 0.00 97 V 8.51 3.72 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 0.87 0.00 0.00 0.96 0.00 0.00 98 Y 8.19 4.46 0.00 3.14 3.11 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 99 R 7.61 4.66 0.00 1.73 1.88 0.00 3.33 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.36 0.00 100 P 0.00 4.53 0.00 2.50 2.51 0.00 3.74 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.06 0.00 101 E 8.19 3.65 0.00 1.50 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 1.47 1.55 0.00 102 F 8.36 5.10 0.00 3.10 2.93 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 0.00 0.00 0.00 103 A 8.30 4.97 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 0.00 0.00 0.00 0.00 0.00 104 N 9.50 5.00 0.00 2.74 2.91 0.00 0.00 7.07 8.08 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 0.00 105 D 7.83 4.72 0.00 2.63 2.68 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 0.00 106 I 7.28 3.54 0.90 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 1.14 0.29 -0.50 0.00 0.00 107 I 7.78 3.74 1.63 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.64 0.91 0.00 0.00 108 W 9.51 4.94 0.00 3.50 3.11 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 0.00 109 C 7.35 5.03 0.00 2.69 3.08 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 0.00 0.00 0.00 0.00 110 F 7.66 4.49 0.00 3.26 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 0.00 111 G 9.16 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 112 A 7.57 4.97 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 0.00 113 E 8.63 4.11 0.00 2.08 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 2.40 2.41 0.00 114 D 9.23 4.43 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 0.00 115 D 8.15 4.41 0.00 2.89 2.79 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 0.00 116 A 7.49 3.98 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 0.00 117 M 8.59 4.65 0.00 1.86 1.99 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 118 T 7.56 4.50 4.39 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 1.22 0.00 0.00 119 Y 8.54 4.38 0.00 3.15 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 0.00 120 H 8.53 4.66 0.00 3.20 3.27 0.00 5.88 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 0.00 121 C 6.31 5.11 0.00 3.16 2.90 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 0.00 0.00 0.00 122 T 8.66 5.27 4.42 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 1.52 0.00 0.00 123 I 8.62 4.64 1.97 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 1.43 0.89 0.89 0.00 0.00 124 S 8.46 4.81 0.00 3.81 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 0.00 125 P 0.00 4.43 0.00 2.15 2.10 0.00 3.85 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 2.04 1.92 0.00 126 I 8.10 4.19 1.83 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.41 1.00 0.00 0.00 127 V 9.94 4.38 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 0.63 0.00 0.00 0.97 0.00 0.00 128 G 6.94 4.05 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 0.00 129 K 8.25 4.46 0.00 1.70 1.70 0.00 1.53 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.43 7.81 130 A 9.28 4.68 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 0.00 131 S 8.49 4.62 0.00 3.96 3.85 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 * Residues marked with a * may have inaccurate shift predictions.