NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.5590 8.3344 116.7624 58.5684 65.7550 173.7339 1 M 4.5604 8.0545 120.3779 53.7601 35.3913 173.0534 2 S 4.8540 9.6974 123.8427 58.5852 64.4356 172.8600 3 L 5.0877 8.7385 122.8056 51.7981 45.1307 174.7314 4 P 4.4156 0.0000 0.0000 64.1150 31.7696 175.4186 5 D 4.3963 9.4569 117.1083 55.7999 38.0848 174.1378 6 G 3.7146 8.4985 103.6677 46.4771 0.0000 173.5435 7 F 5.5872 8.0776 116.0587 55.5444 43.7042 173.5502 8 Y 5.3968 8.7853 117.6588 55.7542 42.0817 173.4650 9 I 5.0684 8.9294 120.0258 59.4780 41.4136 174.1920 10 R 4.7545 8.5316 123.1236 55.0419 33.2101 174.2823 11 R 4.5308 8.5287 118.7108 56.1557 30.8020 176.6448 12 M 4.4608 9.0598 123.0610 56.0404 33.1309 175.2826 13 E 4.9215 9.9005 124.1180 53.8878 33.6570 176.8358 14 E 4.1502 8.9339 118.2060 59.7673 29.4572 178.9565 15 G 3.8437 8.1404 104.9248 46.4640 0.0000 173.8530 16 D 4.6878 8.4188 119.7597 53.9381 41.0114 177.5686 17 L 2.9936 7.1839 121.9694 58.2651 41.8773 178.8133 18 E 3.8500 7.9021 117.3288 59.6433 29.5299 179.3849 19 Q 4.0178 7.9277 117.5321 58.8029 28.7761 178.7982 20 V 3.6036 8.2466 119.8506 66.1754 31.3389 178.1156 21 T 3.8285 8.0322 115.7843 66.6552 68.0654 176.0641 22 E 3.9461 7.9350 119.8596 59.6394 29.6780 178.7674 23 T 4.0545 7.8907 115.6966 66.6255 68.5287 176.6976 24 L 4.1264 8.3964 120.5925 56.8287 41.3220 179.3176 25 K 3.8866 7.5399 118.2942 59.6646 32.0493 179.0996 26 V 3.7663 7.4570 110.9734 63.2843 31.4286 177.2401 27 L 4.4110 7.7758 119.5088 55.6050 42.8543 175.9455 28 T 4.6713 6.7413 112.9552 61.9208 72.7063 173.5712 29 T 3.9593 8.3447 118.4092 62.4535 68.0583 174.0951 30 V 3.8282 8.6027 128.0787 63.9004 32.4155 176.6381 31 G 3.7326 8.0959 107.8874 45.1770 0.0000 172.5317 *32 T 4.1651 8.1911 111.1966 60.2315 68.5934 169.9322 33 I 4.5705 8.0529 127.9548 58.0076 39.9539 176.2764 34 T 4.0715 8.3377 116.5189 60.9424 70.6438 173.5057 35 P 4.2567 0.0000 0.0000 66.0324 31.5158 178.5703 36 E 3.9811 8.1220 117.4718 59.2317 29.5690 178.9253 37 S 4.0926 8.1036 115.3982 61.5029 62.8294 176.3735 38 F 4.0245 8.4148 123.4693 61.3253 39.0839 176.6569 39 C 3.9908 8.3324 118.4289 62.4605 31.3497 175.8135 40 K 3.9587 7.8336 119.8417 59.0374 31.5411 179.2017 41 L 3.5951 7.7031 120.8353 58.0678 41.9561 179.0601 42 I 3.5102 7.2764 119.9446 64.0320 36.5119 178.3281 43 K 3.9115 7.8998 120.5094 59.5866 32.0603 178.2288 44 Y 4.2396 7.9670 119.7094 60.7215 38.5548 178.1782 45 W 4.0439 8.3269 118.6521 59.0064 29.1345 177.2519 46 N 4.7845 8.0165 114.1483 53.4869 38.4064 175.2191 47 E 4.4676 7.4999 117.9285 56.7131 32.3378 176.4381 48 A 4.2353 8.0429 122.0512 52.3731 19.0398 176.9692 49 T 5.0082 8.5211 112.3620 59.9044 72.1214 173.4506 50 V 4.2389 8.1961 123.1749 60.8020 32.8566 175.6396 51 W 4.4165 8.9747 135.0000 58.2136 32.5614 171.9072 52 N 4.1733 8.2554 123.5993 54.1773 38.7348 177.0943 *58 K 4.0327 9.1787 111.7942 54.2315 33.7712 176.5982 59 I 4.1539 7.9122 124.0571 58.6018 39.5061 174.7115 60 M 4.4451 8.0799 127.9215 54.9875 32.0974 176.6734 61 Q 3.8983 8.9764 125.5939 58.6684 30.3382 175.4218 62 Y 4.6137 7.7995 114.8652 55.9131 40.0430 176.3081 63 N 5.0785 8.5260 119.6810 50.9570 39.4023 171.0724 64 P 4.4433 0.0000 0.0000 62.7195 33.0770 176.4566 65 M 5.1860 9.1825 125.0304 53.4207 35.3939 175.4995 66 V 4.8508 8.6802 114.6176 59.6849 35.8863 174.5788 67 I 4.6075 8.5614 125.8704 59.8427 39.0732 174.7027 68 V 4.5494 8.2299 127.6059 60.9224 34.1440 173.9813 69 D 4.7441 8.9924 128.4045 53.4737 41.3495 177.0514 70 K 4.1213 8.7795 126.9948 59.5520 32.0748 179.0966 71 R 4.0471 8.4992 119.2672 58.7824 30.0112 177.4125 72 T 4.5569 7.3961 102.9636 60.0522 70.1012 173.0605 73 E 3.9106 8.2279 120.1442 58.4594 27.7789 174.3708 74 T 4.8476 7.4733 113.2156 61.4337 72.1006 174.8258 75 V 4.0025 8.4476 125.4771 63.2751 31.5680 175.2923 76 A 4.1137 9.1013 129.4910 52.7429 20.9113 176.0338 77 A 4.8783 7.3958 114.7066 51.5993 22.7425 175.2069 78 T 5.0059 8.9300 113.7683 61.0679 71.5370 172.8292 79 G 4.4810 8.5941 111.8737 45.4607 0.0000 171.5415 80 N 5.5398 8.9138 118.5731 51.5081 43.0178 172.8526 81 I 4.8556 7.9962 123.6952 59.3211 40.6990 174.3514 82 I 4.4159 8.7534 130.7302 59.7270 39.2807 174.5833 83 I 4.6241 8.2771 128.3095 59.7777 38.5355 174.7720 84 E 4.6479 9.0059 127.7487 54.2758 32.6007 174.2600 85 R 4.8966 8.6551 126.8340 55.2146 31.6580 175.4318 86 K 4.6278 9.0591 125.7188 55.0509 35.4768 177.1824 87 I 3.9330 8.2959 120.4128 63.6628 37.9481 177.0612 88 I 4.0210 7.5599 112.6893 61.6017 38.0703 174.3343 89 H 3.7581 8.9202 117.2506 58.3262 28.3039 174.5136 90 E 3.6832 8.9501 112.4654 57.8260 26.9071 174.9911 91 L 4.5369 7.7521 111.7957 55.0200 40.3499 175.9247 92 G 4.0197 8.0775 104.8202 46.4258 0.0000 173.1868 93 L 5.3049 8.6954 120.1112 53.0404 44.1346 175.1398 94 C 4.8262 9.1686 124.3476 57.3768 34.5233 172.9131 95 G 4.2121 8.5631 113.0726 45.3506 0.0000 172.4436 96 H 5.2447 8.9168 119.0467 53.8048 32.2559 172.6654 97 I 4.6385 8.5718 125.5814 60.7187 38.0596 175.5565 98 E 4.6068 8.9204 124.9957 54.6377 34.2391 174.5549 99 D 4.5941 8.4208 118.0989 55.6047 38.3511 174.1280 100 I 4.6170 7.6207 118.1910 60.9318 38.5270 177.2846 101 A 4.5484 9.0660 128.8587 50.5954 22.7349 174.6507 102 V 4.5016 8.2477 123.0287 60.7270 33.2877 174.9221 103 N 4.4374 9.0468 127.3154 54.1521 39.2746 175.8940 104 S 4.2693 8.9883 119.5771 61.0567 63.0858 175.2496 105 K 4.1624 8.3801 118.5833 57.4042 32.0252 176.7575 106 Y 4.6957 8.1766 115.8382 57.5954 38.7913 175.8029 107 Q 4.1490 8.0148 119.0447 56.5828 29.5894 175.8718 108 G 3.9276 8.7268 106.7359 46.4532 0.0000 173.9888 109 Q 4.4873 8.2452 113.9649 55.3785 29.3573 176.2306 110 G 4.0202 8.3468 106.8289 45.8669 0.0000 175.8865 111 L 3.8990 7.8770 120.2379 57.3486 41.5041 179.1763 112 G 3.6334 7.9796 105.3040 47.8245 0.0000 175.3162 113 K 3.9091 8.3006 122.2162 59.0916 32.2361 178.5700 114 L 3.9606 7.9490 119.1939 57.6095 41.4681 179.2383 115 L 3.9184 8.2583 120.6030 58.3200 41.9896 179.1307 116 I 3.7614 8.0300 119.8322 64.5163 37.0451 178.1518 117 D 4.3926 8.4704 120.0653 57.4679 40.6380 178.9379 118 Q 3.9939 8.1870 118.5165 58.9553 28.7327 178.7777 119 L 3.9542 8.1246 120.1623 57.7076 41.5536 179.7249 120 V 3.2942 8.1015 118.5431 66.1432 31.3505 178.2269 121 T 3.8707 7.9152 115.4279 66.6024 68.3071 176.5946 122 I 3.5210 7.7753 121.7718 64.2522 37.1631 178.7585 123 G 3.5392 7.9371 106.3340 47.9797 0.0000 175.8621 124 F 4.6869 8.0451 120.7307 60.2946 38.6502 177.5891 125 D 4.4583 8.2146 118.0626 57.2357 40.6410 177.8184 126 Y 4.6178 7.6356 115.6053 58.9533 37.9580 176.4915 127 G 4.2272 7.8410 108.3518 45.3691 0.0000 173.6647 128 C 4.5508 7.9396 117.3590 59.8226 28.5089 173.7933 129 Y 4.4074 8.5237 121.9529 58.9797 38.4389 175.3050 130 K 4.7296 6.8002 117.8581 55.9148 36.0246 174.5638 131 I 4.9889 8.1313 121.1080 59.4735 40.3619 174.8592 132 I 4.9303 8.5562 119.6386 59.3599 41.2169 173.9434 133 L 4.7286 8.1145 121.4128 55.2286 43.1286 173.8775 134 D 4.9581 8.3650 118.9390 52.7016 43.5873 175.3774 135 C 4.7670 7.9970 115.6978 56.7285 32.7527 173.4045 136 D 4.6082 8.4447 120.0070 53.7546 41.5662 177.1222 137 E 3.9412 8.9543 121.9158 59.6265 29.1929 179.3322 138 K 4.1605 8.1017 116.8320 58.9900 33.0232 177.5923 139 N 4.8069 8.2611 116.8597 53.1886 39.0370 176.6369 140 V 3.7455 7.7614 120.9937 66.3240 31.6174 178.0033 141 K 4.2707 8.0745 118.7763 58.7048 31.3687 178.9898 142 F 4.1306 8.1337 120.5836 61.6601 39.4548 176.7678 143 Y 3.6551 7.8074 116.1052 60.6778 37.6081 178.2539 144 E 4.5479 8.3793 121.3653 58.8217 29.3461 179.3472 145 K 4.1723 7.8411 117.3170 58.6754 32.1097 178.0499 146 C 4.4915 7.2272 114.5242 59.2848 28.3931 174.3427 147 G 3.9420 8.1367 109.4217 45.1774 0.0000 173.9571 148 F 4.4557 8.4394 118.9772 56.4311 40.1714 174.7959 149 S 4.8907 8.1505 115.5926 56.0249 66.0047 173.3827 150 N 4.4153 8.7817 119.9096 53.9548 39.0956 174.4543 151 A 4.7127 9.4923 125.5353 50.4633 21.2243 176.4236 152 G 3.9058 6.2357 99.6532 45.7998 0.0000 171.3116 153 V 4.3384 7.9592 119.2987 60.8333 33.8427 175.4827 154 E 4.4094 8.6707 127.4858 55.2882 30.5114 175.0535 155 M 4.8632 8.4240 125.1819 53.6562 35.0371 174.8181 156 Q 4.6433 8.1474 117.4469 54.8334 31.8903 173.8375 157 I 4.7098 7.9772 117.5465 59.5141 41.3596 175.2189 158 R 4.2264 8.3450 123.2757 56.5424 30.9963 175.1508 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 4.56 0.00 4.04 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 1 M 8.05 4.56 0.00 2.10 1.89 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.63 0.00 2 S 9.70 4.85 0.00 3.84 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.74 5.09 0.00 1.73 1.63 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.42 0.00 2.25 2.11 0.00 3.96 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 2.06 2.03 0.00 5 D 9.46 4.40 0.00 3.07 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 6 G 8.50 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 7 F 8.08 5.59 0.00 2.96 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 8 Y 8.79 5.40 0.00 3.20 3.06 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 9 I 8.93 5.07 1.85 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 1.28 1.63 0.98 0.00 0.00 10 R 8.53 4.75 0.00 2.03 2.23 0.00 3.11 0.00 0.00 3.48 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 11 R 8.53 4.53 0.00 1.77 1.96 0.00 3.25 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 12 M 9.06 4.46 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.80 0.00 13 E 9.90 4.92 0.00 2.06 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 2.27 2.45 0.00 14 E 8.93 4.15 0.00 2.21 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 0.00 2.43 2.31 0.00 15 G 8.14 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.42 4.69 0.00 3.01 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.18 2.99 0.00 0.90 1.36 0.05 0.77 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 18 E 7.90 3.85 0.00 2.00 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 2.32 2.34 0.00 19 Q 7.93 4.02 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 20 V 8.25 3.60 2.15 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 1.20 0.00 0.00 1.04 0.00 0.00 21 T 8.03 3.83 4.36 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 1.17 0.00 0.00 22 E 7.94 3.95 0.00 1.95 2.17 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 2.35 2.43 0.00 23 T 7.89 4.05 4.38 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 1.23 0.00 0.00 24 L 8.40 4.13 0.00 1.74 1.75 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.54 3.89 0.00 1.82 1.89 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.73 7.81 26 V 7.46 3.77 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 0.70 0.00 0.00 1.07 0.00 0.00 27 L 7.78 4.41 0.00 1.61 1.82 0.94 1.13 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 28 T 6.74 4.67 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 1.23 0.00 0.00 29 T 8.34 3.96 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 1.22 0.00 0.00 30 V 8.60 3.83 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 0.84 0.00 0.00 0.95 0.00 0.00 31 G 8.10 3.73 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 0.00 0.00 0.00 *32 T 8.19 4.17 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 33 I 8.05 4.57 1.80 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 1.47 1.23 0.95 0.00 0.00 34 T 8.34 4.07 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 1.20 0.00 0.00 35 P 0.00 4.26 0.00 2.19 2.17 0.00 3.59 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 2.11 2.13 0.00 36 E 8.12 3.98 0.00 2.03 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 2.39 0.00 37 S 8.10 4.09 0.00 4.11 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 38 F 8.41 4.02 0.00 3.02 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 39 C 8.33 3.99 0.00 3.07 3.17 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 40 K 7.83 3.96 0.00 1.96 1.75 0.00 1.67 0.00 0.00 1.52 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.65 7.81 41 L 7.70 3.60 0.00 1.33 1.18 0.06 0.11 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 42 I 7.28 3.51 1.76 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 0.56 0.39 0.89 0.00 0.00 43 K 7.90 3.91 0.00 1.89 1.96 0.00 1.64 0.00 0.00 1.57 0.00 0.00 3.13 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.70 1.46 7.81 44 Y 7.97 4.24 0.00 2.97 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 45 W 8.33 4.04 0.00 3.31 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.02 4.78 0.00 2.79 2.88 0.00 0.00 6.79 7.25 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 47 E 7.50 4.47 0.00 2.00 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 2.25 2.38 0.00 48 A 8.04 4.24 1.10 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 49 T 8.52 5.01 4.28 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 1.27 0.00 0.00 50 V 8.20 4.24 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 0.74 0.00 0.00 0.82 0.00 0.00 51 W 8.97 4.42 0.00 3.26 3.20 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 52 N 8.26 4.17 0.00 2.40 1.94 0.00 0.00 7.02 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 *58 K 9.18 4.03 0.00 1.84 1.64 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 59 I 7.91 4.15 1.61 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.48 0.12 0.00 0.00 60 M 8.08 4.45 0.00 1.99 2.26 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.73 0.00 61 Q 8.98 3.90 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.78 0.00 0.00 0.00 0.00 0.00 1.45 2.13 0.00 62 Y 7.80 4.61 0.00 2.47 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 0.00 0.00 0.00 0.00 63 N 8.53 5.08 0.00 2.72 2.69 0.00 0.00 6.59 8.07 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 64 P 0.00 4.44 0.00 2.15 1.41 0.00 3.59 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.87 0.00 65 M 9.18 5.19 0.00 1.87 1.95 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.79 0.00 66 V 8.68 4.85 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 0.85 0.00 0.00 0.91 0.00 0.00 67 I 8.56 4.61 1.67 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.55 0.72 0.00 0.00 68 V 8.23 4.55 0.95 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 0.97 0.00 0.00 0.63 0.00 0.00 69 D 8.99 4.74 0.00 2.75 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 70 K 8.78 4.12 0.00 1.79 1.88 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.68 1.66 7.81 71 R 8.50 4.05 0.00 1.86 1.98 0.00 3.04 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 72 T 7.40 4.56 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 1.24 0.00 0.00 73 E 8.23 3.91 0.00 2.17 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 2.31 2.46 0.00 74 T 7.47 4.85 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 1.34 0.00 0.00 75 V 8.45 4.00 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 0.72 0.00 0.00 0.91 0.00 0.00 76 A 9.10 4.11 0.33 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 77 A 7.40 4.88 1.07 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 78 T 8.93 5.01 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 1.24 0.00 0.00 79 G 8.59 4.48 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 80 N 8.91 5.54 0.00 2.64 2.52 0.00 0.00 6.92 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 81 I 8.00 4.86 1.82 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 1.18 1.15 0.93 0.00 0.00 82 I 8.75 4.42 1.70 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 0.72 0.33 0.45 0.00 0.00 83 I 8.28 4.62 1.63 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.41 0.77 0.00 0.00 84 E 9.01 4.65 0.00 2.00 1.96 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 2.22 2.21 0.00 85 R 8.66 4.90 0.00 1.95 1.92 0.00 3.63 0.00 0.00 3.57 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.89 0.00 86 K 9.06 4.63 0.00 1.84 1.79 0.00 1.92 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.49 7.81 87 I 8.30 3.93 1.89 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 1.47 0.64 0.92 0.00 0.00 88 I 7.56 4.02 1.88 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.80 0.93 0.00 0.00 89 H 8.92 3.76 0.00 2.77 2.84 0.00 5.88 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.95 3.68 0.00 2.05 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 2.19 2.22 0.00 91 L 7.75 4.54 0.00 1.92 1.97 1.22 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.08 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 0.00 0.00 0.00 93 L 8.70 5.30 0.00 1.69 1.61 0.92 0.70 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 94 C 9.17 4.83 0.00 2.81 2.67 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 0.00 0.00 0.00 0.00 95 G 8.56 4.21 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 0.00 0.00 0.00 96 H 8.92 5.24 0.00 3.01 3.13 0.00 5.81 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.57 4.64 1.77 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 1.19 0.45 0.86 0.00 0.00 98 E 8.92 4.61 0.00 1.80 1.78 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 2.20 2.41 0.00 99 D 8.42 4.59 0.00 2.89 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 0.00 100 I 7.62 4.62 1.97 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 1.33 0.91 0.98 0.00 0.00 101 A 9.07 4.55 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 0.00 102 V 8.25 4.50 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 0.85 0.00 0.00 0.82 0.00 0.00 103 N 9.05 4.44 0.00 2.86 2.99 0.00 0.00 6.51 7.75 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 0.00 104 S 8.99 4.27 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.38 4.16 0.00 1.59 1.62 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.39 7.81 106 Y 8.18 4.70 0.00 3.01 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 0.00 107 Q 8.01 4.15 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.48 0.00 0.00 0.00 0.00 0.00 2.29 2.54 0.00 108 G 8.73 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 0.00 109 Q 8.25 4.49 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.48 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 110 G 8.35 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 0.00 0.00 0.00 111 L 7.88 3.90 0.00 1.55 1.49 0.49 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.98 3.63 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 0.00 0.00 0.00 113 K 8.30 3.91 0.00 1.92 2.01 0.00 1.71 0.00 0.00 1.82 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.64 1.48 7.81 114 L 7.95 3.96 0.00 1.84 1.65 0.86 0.56 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 0.00 115 L 8.26 3.92 0.00 1.73 1.91 0.89 0.92 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 0.00 116 I 8.03 3.76 1.88 0.00 0.00 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 1.92 0.86 1.04 0.00 0.00 117 D 8.47 4.39 0.00 2.88 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 0.00 118 Q 8.19 3.99 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 119 L 8.12 3.95 0.00 1.82 1.68 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 120 V 8.10 3.29 2.25 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 0.92 0.00 0.00 1.00 0.00 0.00 121 T 7.92 3.87 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 1.23 0.00 0.00 122 I 7.78 3.52 1.93 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 1.28 1.01 0.67 0.00 0.00 123 G 7.94 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 F 8.05 4.69 0.00 3.02 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 0.00 125 D 8.21 4.46 0.00 2.67 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 0.00 126 Y 7.64 4.62 0.00 3.17 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 0.00 127 G 7.84 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 0.00 0.00 0.00 0.00 128 C 7.94 4.55 0.00 3.17 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 0.00 129 Y 8.52 4.41 0.00 2.96 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 0.00 130 K 6.80 4.73 0.00 1.70 1.77 0.00 1.36 0.00 0.00 1.81 0.00 0.00 2.71 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.30 1.08 7.81 131 I 8.13 4.99 1.60 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.23 0.86 0.00 0.00 132 I 8.56 4.93 1.85 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 1.25 1.03 0.85 0.00 0.00 133 L 8.11 4.73 0.00 1.36 1.48 -0.20 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 134 D 8.37 4.96 0.00 2.60 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 0.00 135 C 8.00 4.77 0.00 3.18 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 0.00 136 D 8.44 4.61 0.00 2.76 2.65 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 0.00 137 E 8.95 3.94 0.00 2.05 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 2.41 2.42 0.00 138 K 8.10 4.16 0.00 1.96 1.95 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.54 7.81 139 N 8.26 4.81 0.00 3.08 3.14 0.00 0.00 6.44 8.48 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 0.00 140 V 7.76 3.75 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 1.17 0.00 0.00 1.05 0.00 0.00 141 K 8.07 4.27 0.00 1.85 1.88 0.00 2.04 0.00 0.00 1.97 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.33 7.81 142 F 8.13 4.13 0.00 2.92 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 0.00 143 Y 7.81 3.66 0.00 3.03 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 0.00 144 E 8.38 4.55 0.00 2.19 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 2.40 2.52 0.00 145 K 7.84 4.17 0.00 1.83 1.82 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.57 1.64 7.81 146 C 7.23 4.49 0.00 3.14 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 0.00 147 G 8.14 3.94 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 0.00 0.00 0.00 148 F 8.44 4.46 0.00 3.28 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 0.00 149 S 8.15 4.89 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 0.00 150 N 8.78 4.42 0.00 2.74 2.79 0.00 0.00 6.73 7.96 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 0.00 151 A 9.49 4.71 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 0.00 152 G 6.24 3.91 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 0.00 0.00 0.00 153 V 7.96 4.34 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 0.85 0.00 0.00 0.94 0.00 0.00 154 E 8.67 4.41 0.00 2.12 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 2.24 2.31 0.00 155 M 8.42 4.86 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 156 Q 8.15 4.64 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 157 I 7.98 4.71 1.88 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 1.42 0.95 0.92 0.00 0.00 158 R 8.34 4.23 0.00 1.78 1.74 0.00 3.30 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.