NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 5.2403 8.1032 118.1634 59.8627 30.5157 171.9366 2 L 4.8350 9.0076 121.9483 52.4667 43.9202 174.7996 3 A 4.7551 9.0287 125.3556 51.5727 20.1641 176.3195 4 E 4.2740 8.6820 121.8656 58.0681 29.9052 177.4992 5 G 3.9950 9.7662 114.8838 45.2822 0.0000 173.8173 6 T 4.1927 7.8435 117.5480 63.9260 69.5012 173.7420 7 R 4.8164 9.8330 127.0999 55.6296 31.8329 175.6274 8 I 4.9711 9.0845 125.0534 59.2951 40.0149 174.6622 9 F 4.6960 8.3939 129.4445 58.0546 40.1956 174.0307 10 D 5.1968 8.9942 126.7941 51.2620 41.6635 175.3609 11 P 3.9278 0.0000 0.0000 65.1332 31.9906 178.1505 12 V 3.6672 8.0476 119.1698 65.7215 31.5080 177.0465 13 T 4.0571 7.9658 107.4977 61.8565 69.3592 175.7700 14 G 3.8727 8.2057 109.6175 45.3271 0.0000 173.2070 15 T 4.4441 7.5824 116.7258 62.9179 70.3976 173.8071 16 T 5.0843 8.4111 120.9789 62.3223 70.6999 173.4169 17 H 5.0350 9.2217 123.5566 53.9166 32.5461 173.9057 18 R 4.6180 8.3412 119.8685 55.3648 31.2407 177.7007 19 I 3.6206 8.7744 123.3413 64.1594 37.8419 178.0591 20 E 2.8010 7.7162 117.8974 58.8685 29.4903 178.7284 21 D 4.2689 7.8976 119.9574 56.8750 40.8038 178.7719 22 V 3.4925 7.5451 118.4068 65.9263 31.5626 178.0917 23 V 3.6225 7.6648 117.8298 66.2483 31.3345 177.7380 24 D 4.3095 8.0601 117.5900 56.6684 40.8063 177.8221 25 G 3.6929 7.6850 105.0969 44.2653 0.0000 173.5603 26 R 2.0000 6.9642 117.8615 55.9973 27.7399 176.7761 27 K 4.1902 7.6807 116.6127 54.7914 33.6856 177.3373 28 P 4.8450 0.0000 0.0000 62.3600 30.5577 175.2612 29 I 4.1823 7.4124 113.1977 61.9986 40.1963 175.7397 30 H 5.2816 9.7237 119.2467 54.2933 31.9223 174.1669 31 V 5.0509 8.6110 113.2863 59.6699 36.6455 174.4340 32 V 4.5960 8.3350 120.7927 61.9422 32.7055 174.5018 33 A 5.3447 9.8034 130.5454 50.2016 22.2533 174.5616 34 A 5.2154 8.9018 121.3206 50.3279 21.5461 176.6528 35 A 4.5916 9.1683 123.8753 49.9592 21.5458 178.1081 36 K 4.0827 8.8506 120.0749 59.6003 32.2265 176.7030 37 D 4.7391 8.0990 116.6980 53.7222 39.8857 176.4702 38 G 3.9999 7.7920 104.5417 47.6499 0.0000 174.0004 39 T 4.6988 7.4684 109.0512 59.5452 71.4306 173.0707 40 L 5.2299 8.3309 123.2632 53.9436 43.7570 175.3222 41 H 5.0439 9.6137 118.2181 54.2617 33.9793 172.0561 42 A 5.0902 8.5562 121.9417 51.4588 19.8041 177.2283 43 R 4.7972 8.7713 120.8269 53.7185 34.9569 173.2483 44 P 4.5777 0.0000 0.0000 62.6158 33.2174 175.0628 45 V 4.3910 8.0982 122.0375 62.1795 31.6581 175.9410 46 V 3.9572 8.3753 121.0792 61.5590 33.1972 176.0904 47 S 3.8512 6.7535 115.0540 56.1798 67.5963 172.8372 48 W 5.0877 8.0674 120.6883 54.8795 32.6697 174.7529 49 F 4.9852 9.2508 122.5798 55.7399 41.9848 173.4824 50 D 4.9248 9.0916 124.0288 53.4011 41.6204 175.6044 51 Q 4.2617 9.0307 125.0914 55.3659 29.7563 177.5192 52 G 3.7636 8.3260 110.9348 44.7168 0.0000 172.3309 53 T 4.7564 8.1368 115.0849 63.2639 69.2728 174.8423 54 R 4.6949 8.6745 123.6319 54.9782 35.7916 173.6540 55 D 4.9025 8.6275 119.9791 54.3212 42.5911 176.2196 56 V 4.8566 8.7208 115.8845 59.6174 35.5575 175.2941 57 I 4.7731 9.1425 119.1926 59.8594 40.4128 174.5084 58 G 3.1568 8.1007 109.4302 43.8852 0.0000 172.2759 59 L 4.8095 8.0681 124.4564 52.7148 44.0582 175.5629 60 R 4.5008 8.7670 126.6210 55.5665 31.1464 175.6036 61 I 4.8453 8.8597 127.3533 59.1123 40.2488 175.0542 62 A 4.0514 8.2596 126.3934 53.6318 17.9571 177.6176 63 G 3.9527 9.4754 110.7315 44.8643 0.0000 174.1295 64 G 4.0324 8.3595 107.7378 45.6121 0.0000 174.4554 65 A 4.1273 8.0789 120.9449 52.7645 19.5274 176.7847 66 I 5.3342 8.4495 120.7380 58.4429 40.8723 174.9344 67 V 4.3748 8.1858 126.7738 59.7266 34.0079 174.5228 68 W 5.3109 8.8028 124.2273 55.0222 31.3539 174.8675 69 A 5.1786 8.9166 125.5529 50.5496 23.0609 175.2047 70 T 4.6973 9.1703 110.0673 60.4058 69.7406 174.2456 71 P 4.4594 0.0000 0.0000 65.5503 31.2548 177.4253 72 D 4.7215 7.9810 116.5470 54.4427 40.3907 176.0376 73 H 4.1912 8.4490 122.4658 56.3988 31.0407 174.3804 74 K 4.8723 8.5843 125.2416 56.3551 33.4348 175.9712 75 V 4.8801 9.1237 124.5614 60.8689 35.2431 174.0280 76 L 3.4860 7.9952 129.4910 54.5069 43.0038 175.7177 77 T 5.1169 8.4036 116.5366 59.2410 72.0450 174.7614 78 E 3.3372 8.7226 119.2247 58.5719 29.3011 177.4135 79 Y 4.7541 7.6069 116.3051 57.6144 38.6274 176.1324 80 G 3.8072 8.0005 108.4551 43.7505 0.0000 172.3628 81 W 4.9060 8.5100 118.7117 56.6235 29.6655 176.5391 82 R 4.9174 9.3038 122.8947 53.9636 34.5811 174.5783 83 A 4.5404 8.7020 123.4124 51.9836 19.2560 178.3818 84 A 3.9382 9.5447 125.8002 55.4267 18.6034 180.3570 85 G 3.7617 8.4455 103.7575 48.0069 0.0000 174.2668 86 E 4.2922 8.0640 118.2150 57.2565 30.0709 176.9345 87 L 4.4732 7.4539 119.1087 54.6179 42.5429 176.2453 88 R 4.6930 8.9584 119.6144 53.7805 34.4015 174.6996 89 K 4.1816 8.5022 120.3835 58.2990 32.4234 175.5558 90 G 4.1856 8.9198 114.6172 45.9523 0.0000 174.1666 91 D 4.5770 8.2447 119.0314 54.3047 42.2989 175.7890 92 R 5.0916 8.5021 120.0977 54.6773 32.7247 175.8255 93 V 4.8980 8.8104 116.3851 59.1368 35.5437 174.7766 94 A 3.6207 8.6478 125.2083 51.8134 19.2575 177.2926 95 V 4.7651 8.4446 115.0833 59.4962 36.6738 174.4290 96 R 4.7309 8.3716 123.3387 54.4565 31.3486 175.5011 97 D 4.2578 8.9591 127.6141 54.4439 41.5412 177.1199 98 V 3.3754 8.6650 126.0753 65.7930 30.9691 175.8631 99 E 4.2140 7.3853 118.1983 57.8234 30.1493 177.1820 100 T 3.7892 8.7785 115.1887 63.1603 69.1158 175.9282 101 G 3.8784 7.9655 108.7378 45.6613 0.0000 173.3824 102 E 4.1887 7.6435 119.2563 55.6407 31.2025 175.4456 *404 L 4.5578 8.2424 123.0720 55.3152 43.3387 175.7850 405 R 4.7603 8.5740 121.0024 55.2952 33.6311 172.7829 406 Y 4.9926 8.4882 115.0646 56.4271 41.3820 175.5851 407 S 4.8253 9.1327 119.0113 56.4326 67.3565 173.6074 408 V 4.1948 8.2040 122.7570 62.8122 32.9533 174.9784 409 I 4.3089 8.8879 129.3052 61.4161 37.2805 176.9637 410 R 4.0955 9.1300 127.7327 58.5853 30.9313 176.7250 411 E 4.6666 7.8382 117.1053 54.9649 33.2868 174.0529 412 V 4.6250 8.2804 125.2347 61.2330 32.8567 174.9771 413 L 4.5857 8.7614 128.5556 53.0806 43.4167 174.9475 414 P 4.5708 0.0000 0.0000 62.5746 32.1154 176.4385 415 T 4.9594 8.7206 111.9922 61.9366 69.7594 173.4663 416 R 4.7592 8.2944 117.4322 54.8602 33.0775 174.1508 417 R 4.7373 8.5153 119.5945 56.2575 31.2013 175.6611 418 A 4.3925 8.0685 121.9623 51.0861 23.4868 176.0557 419 R 4.4892 8.3294 119.0376 56.5673 31.5673 175.9712 420 T 5.1641 8.5908 112.1442 60.2303 72.5051 172.5868 421 F 5.4893 9.3637 120.3414 56.8452 44.2508 172.9689 422 D 5.3268 9.3010 118.2862 53.3018 45.6102 174.5102 423 L 4.9972 8.6227 119.2420 53.1249 46.4118 175.6273 424 E 4.6798 8.5685 121.1622 54.7633 31.7331 174.6734 425 V 4.3937 8.4458 128.6201 61.0641 33.0422 174.7563 426 E 3.8036 8.4223 129.3599 58.2696 29.4349 175.4879 427 E 4.0355 9.0316 132.2002 57.4932 28.9230 175.2363 428 L 4.2005 7.5574 116.1637 55.2766 42.6049 176.7210 429 H 4.8128 7.8450 115.5895 56.2471 26.8919 173.6620 430 T 5.2587 7.1708 106.6481 60.8020 72.5361 172.3277 431 L 5.2464 8.9360 120.8478 56.2361 44.9776 173.7028 432 V 4.7919 8.3792 119.1060 61.3229 33.4004 174.1589 433 A 5.0540 9.3123 131.7140 51.4714 20.7320 175.7849 434 E 3.8986 10.1564 123.6348 57.4395 27.8846 176.3540 435 G 3.9072 8.3554 105.8700 45.3103 0.0000 173.5928 436 V 4.5941 7.8311 120.6419 61.1027 34.1702 174.8248 437 V 4.4225 8.4426 127.8649 62.7873 32.5846 175.3443 438 V 5.4633 9.0976 120.3701 59.9629 36.7783 173.9765 439 H 4.6288 9.2756 122.2361 55.7994 30.5688 174.8614 440 N 4.6510 8.1030 120.1254 53.2524 36.7463 174.7103 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 1 C 8.10 5.24 0.00 2.96 2.98 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 2 L 9.01 4.84 0.00 1.73 1.66 1.01 0.65 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 3 A 9.03 4.76 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 4 E 8.68 4.27 0.00 2.40 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 2.37 2.64 0.00 5 G 9.77 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 0.00 0.00 0.00 6 T 7.84 4.19 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 1.30 0.00 0.00 7 R 9.83 4.82 0.00 1.94 1.91 0.00 3.10 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 8 I 9.08 4.97 1.94 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 1.18 0.93 0.97 0.00 0.00 9 F 8.39 4.70 0.00 3.03 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 10 D 8.99 5.20 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 11 P 0.00 3.93 0.00 2.21 2.21 0.00 3.76 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.09 0.00 12 V 8.05 3.67 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 0.70 0.00 0.00 0.66 0.00 0.00 13 T 7.97 4.06 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 1.19 0.00 0.00 14 G 8.21 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 0.00 0.00 0.00 15 T 7.58 4.44 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 1.01 0.00 0.00 16 T 8.41 5.08 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 1.30 0.00 0.00 17 H 9.22 5.03 0.00 3.09 3.18 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.34 4.62 0.00 2.03 2.12 0.00 3.13 0.00 0.00 3.39 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 19 I 8.77 3.62 1.96 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.33 0.83 0.00 0.00 20 E 7.72 2.80 0.00 2.05 1.87 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 2.26 2.33 0.00 21 D 7.90 4.27 0.00 2.84 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 22 V 7.55 3.49 2.23 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 1.28 0.00 0.00 0.97 0.00 0.00 23 V 7.66 3.62 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 1.28 0.00 0.00 1.14 0.00 0.00 24 D 8.06 4.31 0.00 2.74 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 25 G 7.69 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.96 2.00 0.00 1.18 0.66 0.00 2.87 0.00 0.00 2.83 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 1.05 0.00 27 K 7.68 4.19 0.00 1.68 1.69 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.21 7.81 28 P 0.00 4.85 0.00 2.25 2.31 0.00 3.77 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 29 I 7.41 4.18 1.97 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 1.36 0.74 0.65 0.00 0.00 30 H 9.72 5.28 0.00 3.25 3.20 0.00 5.75 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.61 5.05 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 0.68 0.00 0.00 1.02 0.00 0.00 32 V 8.33 4.60 2.19 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 1.04 0.00 0.00 1.13 0.00 0.00 33 A 9.80 5.34 1.22 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 34 A 8.90 5.22 1.37 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 0.00 0.00 0.00 35 A 9.17 4.59 1.35 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 0.00 0.00 36 K 8.85 4.08 0.00 1.79 1.92 0.00 1.82 0.00 0.00 1.80 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.53 7.81 37 D 8.10 4.74 0.00 2.84 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 38 G 7.79 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 0.00 0.00 0.00 39 T 7.47 4.70 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 1.34 0.00 0.00 40 L 8.33 5.23 0.00 1.52 1.63 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 41 H 9.61 5.04 0.00 3.05 3.16 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.56 5.09 1.22 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 43 R 8.77 4.80 0.00 1.69 1.72 0.00 3.44 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 44 P 0.00 4.58 0.00 1.96 1.90 0.00 3.64 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 1.98 1.91 0.00 45 V 8.10 4.39 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 0.40 0.00 0.00 0.87 0.00 0.00 46 V 8.38 3.96 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 0.59 0.00 0.00 0.86 0.00 0.00 47 S 6.75 3.85 0.00 3.38 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 48 W 8.07 5.09 0.00 3.12 2.89 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 49 F 9.25 4.99 0.00 3.22 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 50 D 9.09 4.92 0.00 2.85 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 51 Q 9.03 4.26 0.00 1.84 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.52 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 52 G 8.33 3.76 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 0.00 0.00 0.00 53 T 8.14 4.76 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 1.24 0.00 0.00 54 R 8.67 4.69 0.00 1.73 1.78 0.00 3.09 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 55 D 8.63 4.90 0.00 2.64 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 56 V 8.72 4.86 2.48 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 1.02 0.00 0.00 1.13 0.00 0.00 57 I 9.14 4.77 1.89 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 1.38 0.80 0.98 0.00 0.00 58 G 8.10 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 0.00 0.00 0.00 59 L 8.07 4.81 0.00 1.45 1.49 0.89 0.51 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 60 R 8.77 4.50 0.00 1.76 1.83 0.00 3.05 0.00 0.00 3.14 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 61 I 8.86 4.85 1.82 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 1.09 0.73 0.90 0.00 0.00 62 A 8.26 4.05 1.21 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 63 G 9.48 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 64 G 8.36 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 65 A 8.08 4.13 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 66 I 8.45 5.33 1.90 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 0.90 1.58 0.25 0.00 0.00 67 V 8.19 4.37 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 0.80 0.00 0.00 0.96 0.00 0.00 68 W 8.80 5.31 0.00 3.35 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 69 A 8.92 5.18 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 70 T 9.17 4.70 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 1.31 0.00 0.00 71 P 0.00 4.46 0.00 2.27 2.41 0.00 3.73 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 72 D 7.98 4.72 0.00 2.82 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 73 H 8.45 4.19 0.00 3.43 3.32 0.00 5.77 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.58 4.87 0.00 1.78 1.98 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.48 1.63 7.81 75 V 9.12 4.88 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 1.01 0.00 0.00 1.04 0.00 0.00 76 L 8.00 3.49 0.00 0.27 0.85 0.05 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.40 5.12 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 1.23 0.00 0.00 78 E 8.72 3.34 0.00 1.41 1.56 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 1.93 1.47 0.00 79 Y 7.61 4.75 0.00 3.01 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 G 8.00 3.81 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 0.00 0.00 0.00 81 W 8.51 4.91 0.00 3.23 3.24 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 0.00 82 R 9.30 4.92 0.00 1.75 1.81 0.00 3.25 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 83 A 8.70 4.54 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 84 A 9.54 3.94 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.45 3.76 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 0.00 0.00 0.00 86 E 8.06 4.29 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 2.33 2.30 0.00 87 L 7.45 4.47 0.00 1.77 1.59 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.96 4.69 0.00 1.77 1.76 0.00 3.31 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 89 K 8.50 4.18 0.00 1.70 1.73 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.58 7.81 90 G 8.92 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 0.00 0.00 0.00 0.00 91 D 8.24 4.58 0.00 2.73 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 92 R 8.50 5.09 0.00 1.60 1.83 0.00 3.05 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 93 V 8.81 4.90 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 0.65 0.00 0.00 0.86 0.00 0.00 94 A 8.65 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 8.44 4.77 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 0.66 0.00 0.00 0.83 0.00 0.00 96 R 8.37 4.73 0.00 1.77 1.78 0.00 3.32 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 97 D 8.96 4.26 0.00 2.77 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.67 3.38 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 0.72 0.00 0.00 0.85 0.00 0.00 99 E 7.39 4.21 0.00 2.11 1.81 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 2.23 2.24 0.00 100 T 8.78 3.79 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 0.00 101 G 7.97 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 0.00 0.00 0.00 102 E 7.64 4.19 0.00 1.96 1.87 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 2.30 2.27 0.00 *404 L 8.24 4.56 0.00 1.60 1.57 0.73 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 405 R 8.57 4.76 0.00 1.83 1.93 0.00 2.70 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.56 0.00 406 Y 8.49 4.99 0.00 2.78 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 0.00 407 S 9.13 4.83 0.00 3.63 3.67 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 0.00 408 V 8.20 4.19 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 0.95 0.00 0.00 0.91 0.00 0.00 409 I 8.89 4.31 2.02 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 1.18 0.65 0.89 0.00 0.00 410 R 9.13 4.10 0.00 1.61 1.96 0.00 3.34 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.69 0.00 411 E 7.84 4.67 0.00 1.98 1.68 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 2.24 2.28 0.00 412 V 8.28 4.62 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 0.84 0.00 0.00 0.90 0.00 0.00 413 L 8.76 4.59 0.00 1.33 1.67 1.01 0.72 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 0.00 414 P 0.00 4.57 0.00 2.02 2.04 0.00 3.79 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 2.08 2.13 0.00 415 T 8.72 4.96 4.32 0.00 0.00 0.00 0.00 0.00 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 0.00 416 R 8.29 4.76 0.00 1.73 1.96 0.00 2.45 0.00 0.00 2.54 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.35 0.00 417 R 8.52 4.74 0.00 1.69 1.87 0.00 3.50 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 418 A 8.07 4.39 1.13 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 0.00 0.00 419 R 8.33 4.49 0.00 1.89 1.57 0.00 3.02 0.00 0.00 3.41 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 420 T 8.59 5.16 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 1.28 0.00 0.00 421 F 9.36 5.49 0.00 3.04 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 0.00 422 D 9.30 5.33 0.00 2.84 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 0.00 423 L 8.62 5.00 0.00 1.49 1.44 0.96 0.95 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 0.00 424 E 8.57 4.68 0.00 2.17 1.73 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 2.21 2.35 0.00 425 V 8.45 4.39 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 0.82 0.00 0.00 0.89 0.00 0.00 426 E 8.42 3.80 0.00 1.93 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 2.28 2.23 0.00 427 E 9.03 4.04 0.00 2.10 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 2.16 2.30 0.00 428 L 7.56 4.20 0.00 1.74 1.86 0.92 1.16 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 0.00 429 H 7.85 4.81 0.00 3.21 3.17 0.00 5.59 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 430 T 7.17 5.26 4.59 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 0.00 0.00 0.00 1.10 0.00 0.00 431 L 8.94 5.25 0.00 1.74 1.81 0.98 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 432 V 8.38 4.79 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 1.07 0.00 0.00 1.05 0.00 0.00 433 A 9.31 5.05 1.29 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 0.00 0.00 0.00 434 E 10.16 3.90 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 2.33 2.67 0.00 435 G 8.36 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 0.00 436 V 7.83 4.59 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 0.94 0.00 0.00 0.93 0.00 0.00 437 V 8.44 4.42 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 0.97 0.00 0.00 0.89 0.00 0.00 438 V 9.10 5.46 2.45 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 0.73 0.00 0.00 1.14 0.00 0.00 439 H 9.28 4.63 0.00 3.02 3.11 0.00 5.95 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 440 N 8.10 4.65 0.00 2.89 2.75 0.00 0.00 6.77 6.85 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 * Residues marked with a * may have inaccurate shift predictions.