NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 N 4.6563 8.2833 119.2081 53.3853 39.4368 174.7317 -4 L 4.0647 8.1983 125.7400 55.8544 42.0297 176.3190 -3 Y 4.6026 8.5759 115.9349 58.6219 39.3189 175.2922 -2 F 5.0087 8.2938 122.9094 58.1122 39.6477 175.1302 -1 Q 4.3406 9.3323 127.0971 54.0171 30.8903 176.3046 0 G 3.6301 8.1008 105.8154 45.9668 0.0000 171.2090 -3 P 4.4726 0.0000 0.0000 64.0219 33.6189 176.6922 -2 H 5.1187 8.4138 120.8093 55.4122 29.0477 173.4302 -1 L 4.3406 9.1723 129.0971 53.4171 43.8903 177.9046 0 V 3.7901 7.8008 116.2154 63.0668 29.7464 172.6090 6 I 4.8839 8.7636 129.0359 59.5273 39.7816 174.3749 7 E 4.9164 9.2946 126.0484 54.3301 32.7770 174.9374 8 A 4.9115 8.3292 125.1747 49.8428 22.7236 175.6449 9 T 3.4883 7.9385 112.4444 61.1476 69.3288 175.7373 10 A 3.9954 8.0525 126.7584 54.6812 18.5516 178.2855 11 N 4.6556 7.2345 112.0843 53.0640 37.9930 175.1642 12 L 4.1515 7.6491 122.6764 55.3057 43.0291 176.0131 13 R 4.6976 9.2371 125.3099 54.5487 32.3312 175.3179 14 L 5.2016 8.3434 122.7815 52.9220 44.1672 176.6487 15 E 4.2817 9.3783 121.0328 58.9042 30.0518 176.5734 16 T 4.6448 7.4754 107.6471 58.7781 72.3739 173.7215 17 S 4.3095 8.1963 115.6754 57.4929 65.1288 172.9741 18 P 3.7370 0.0000 0.0000 65.5659 30.8618 179.2145 19 G 3.4952 7.7391 103.9701 47.7566 0.0000 175.2568 20 E 3.9493 8.0386 121.6357 58.7049 29.5341 178.6256 21 L 3.9296 7.9178 120.5446 58.0926 42.0683 178.9202 22 L 4.0293 8.0386 118.9693 57.9286 41.4943 179.3777 23 E 3.9622 8.2130 118.4568 59.4278 29.2793 179.4827 24 Q 3.9723 8.3697 117.9975 58.8068 28.7463 178.5315 25 A 4.0198 8.3327 122.1195 55.3894 18.4387 179.4264 26 N 4.2714 8.5050 114.9789 56.4467 38.5859 177.5146 27 A 4.1603 8.3425 122.0712 55.1202 18.2378 179.5833 28 A 4.0103 8.2317 118.7303 55.2366 18.8143 179.5730 29 L 4.2763 8.2483 117.6559 58.0691 41.7869 179.5201 30 F 4.6148 8.9172 120.8274 61.4188 39.1057 176.8987 31 A 3.9520 8.4579 120.0856 54.9151 18.1542 179.3856 32 S 4.1763 7.8712 111.5615 59.3787 62.9214 175.4411 33 G 3.7279 7.5304 109.4472 46.3439 0.0000 174.2958 34 Q 4.0268 7.3187 117.9555 55.8291 29.3390 175.9236 35 F 5.1864 7.4954 115.0863 55.1574 43.2268 174.6516 36 G 3.9709 8.7481 112.6527 45.2569 0.0000 174.7748 37 E 3.5520 8.8221 120.7806 58.7761 29.7139 178.9693 38 A 4.0448 7.8121 120.8237 54.3076 18.5656 177.7334 39 D 4.5121 7.8876 114.4743 55.8064 41.2306 176.4704 40 I 4.1095 7.5408 120.5775 60.2289 37.4301 175.8323 41 K 4.6065 8.4968 127.6146 54.5747 33.8985 175.9131 42 S 6.0252 8.6683 119.5487 56.7188 66.0150 173.4971 43 R 4.8412 8.3190 116.0502 54.9003 33.0546 173.1695 44 F 5.2323 8.8294 122.0749 56.4481 42.2964 174.0466 45 V 4.4373 8.2370 125.7477 61.3555 34.2932 174.1102 46 T 4.6653 8.6017 124.6007 62.6057 69.9419 174.1297 47 L 4.4321 8.7627 127.5646 53.8656 42.3038 177.4697 48 E 4.2206 9.1000 123.7124 57.0179 30.2446 176.0779 49 A 4.5477 8.0011 120.7338 50.4069 19.9670 174.4972 50 Y 5.0494 7.4886 118.1456 56.6459 41.0598 174.8642 51 R 4.7250 8.4698 118.8462 54.8151 34.2939 174.5297 52 Q 4.4256 8.3832 121.5445 54.9585 31.9758 175.8902 53 G 3.7962 8.8289 115.7473 46.6356 0.0000 173.1712 54 T 4.4858 8.3739 107.7644 60.9404 70.5157 174.5431 55 A 4.0788 7.9595 124.5688 52.3794 19.4665 177.3475 56 A 4.6307 8.2261 123.9515 51.0460 18.4054 178.0000 57 V 4.5836 7.0832 119.7406 59.4578 35.2906 175.2030 58 E 4.3137 9.0426 123.7068 56.3706 30.6101 175.4845 59 R 5.1204 8.7072 124.0382 54.5061 34.4142 174.0644 60 A 4.9165 8.6347 122.1146 50.5623 22.4531 174.6997 61 Y 5.0803 8.1418 116.2859 55.7911 42.3941 173.6056 62 L 5.2128 9.0556 121.5616 53.8627 45.7410 174.5144 63 H 5.5797 9.5061 125.0615 54.4825 33.8204 171.6908 64 A 5.8350 8.7036 124.9156 50.3393 22.8766 174.5801 65 C 4.9590 8.5431 120.0981 57.5340 34.1371 172.8434 66 L 4.8949 8.9285 130.0603 54.0681 43.2552 175.1469 67 S 5.3284 8.7034 122.8591 56.8516 64.7784 173.3970 68 I 4.5646 8.4306 117.8214 58.4665 41.1328 174.7543 69 L 4.4597 8.2513 122.2129 53.9742 42.2548 177.2772 70 D 4.8315 8.0107 120.9296 53.7420 39.8421 176.5186 71 G 3.8390 8.6693 107.8351 45.9719 0.0000 174.7720 72 R 4.2783 7.7553 118.5338 55.3960 31.4013 176.0720 73 D 4.7172 8.2130 119.6605 52.2907 42.1399 177.2212 74 A 3.9562 8.4642 121.0881 55.3909 18.2710 179.6995 75 A 3.9285 7.9602 118.5944 55.5568 18.5179 179.7487 76 T 3.7993 8.4352 114.3801 66.9061 68.5629 177.0642 77 R 3.9426 7.8930 119.7230 59.3223 30.1279 178.9314 78 Q 3.9461 8.4403 119.4528 59.1533 29.0189 178.1744 79 A 4.0231 8.2069 121.8500 55.0255 18.4014 179.5327 80 L 4.0846 8.1322 117.7095 57.9424 41.6393 180.0481 81 G 3.6146 8.0858 105.5539 47.9389 0.0000 175.6910 82 E 3.9898 8.3430 121.3291 58.8462 29.5659 179.2310 83 S 4.0918 8.2403 113.3103 61.6137 62.4156 176.3792 84 L 4.0381 7.9840 121.5170 57.9120 41.3234 179.0350 85 C 4.0775 8.4662 119.0550 62.3810 31.4337 175.3418 86 E 3.9414 8.2964 121.0386 59.0607 29.0153 178.8502 87 V 3.5988 7.4386 116.8569 66.0673 31.9830 177.7884 88 L 4.1427 8.1915 118.4853 57.8064 41.4393 179.2411 89 A 4.1215 8.5130 121.3004 55.2957 18.0952 179.9544 90 G 3.6222 8.1368 102.6801 47.4884 0.0000 175.1163 91 A 4.3480 7.8869 121.8974 52.4090 18.5951 177.2375 92 V 3.8868 7.1405 117.8832 62.7528 31.9226 175.5114 93 A 4.4515 9.4029 131.1104 51.7490 19.8921 177.1635 94 G 3.9230 7.9234 101.7414 45.9804 0.0000 169.8413 95 G 4.2672 9.3363 112.0367 45.5101 0.0000 174.6353 96 G 3.9233 8.0978 113.4790 45.2011 0.0000 172.6412 97 E 4.5353 8.7616 117.8279 56.3816 30.4859 175.5468 98 E 4.5092 7.5695 115.4450 55.1299 31.8715 174.9162 99 G 3.7531 8.6232 107.1211 46.1887 0.0000 172.6100 100 V 4.5070 7.9907 119.6984 60.9700 33.2324 175.1974 101 Q 4.2883 8.7695 127.5154 55.7542 29.8817 174.9759 102 V 5.1690 8.4677 124.0247 61.1286 33.9936 174.6481 103 S 4.8415 8.9904 121.0093 56.7937 67.0449 173.0492 104 V 4.6947 8.1952 120.1552 61.3795 34.0372 174.0390 105 E 4.5108 9.1363 129.6599 55.1507 31.4842 174.7516 106 V 4.9229 8.3775 125.9656 61.1387 33.5182 174.6245 107 R 4.7673 9.2472 124.2616 54.7120 32.9162 174.7327 108 E 5.9776 8.2009 118.9542 53.8493 33.2004 173.9306 *110 E 4.5514 8.4234 119.1244 56.5315 30.6687 176.8291 111 R 3.9129 9.2966 127.2181 59.3744 30.3862 178.4884 112 A 4.0797 8.1243 119.4852 54.3493 18.4398 177.8351 113 S 4.6264 7.5138 106.5741 58.0346 63.8579 173.6136 114 Y 4.1329 7.8931 123.4221 57.4495 38.8529 174.3280 115 A 4.7270 7.8268 130.0782 50.2687 21.3695 175.5650 116 K 4.5836 8.0183 118.7138 55.7909 35.5065 175.3510 117 R 4.7400 8.3878 118.9719 55.3097 32.9330 174.0437 118 V 4.0801 8.2028 122.7007 60.9472 32.9542 175.2283 119 V 3.9600 8.2025 127.2900 61.0439 31.2867 175.2950 120 A 4.1545 8.2259 130.2692 51.7730 19.0609 176.9944 121 R 4.0621 8.3120 118.4491 56.6621 30.1816 176.4311 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 -5 N 8.28 4.66 0.00 2.75 2.86 0.00 0.00 7.10 5.78 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 -4 L 8.20 4.06 0.00 1.37 1.55 0.82 0.58 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 -3 Y 8.58 4.60 0.00 3.15 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 -2 F 8.29 5.01 0.00 2.97 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 -1 Q 9.33 4.34 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.93 0.00 0.00 0.00 0.00 0.00 2.31 2.52 0.00 0 G 8.10 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 -3 P 0.00 4.47 0.00 2.41 1.97 0.00 2.20 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 -2 H 8.41 5.12 0.00 3.12 3.30 0.00 5.08 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 L 9.17 4.34 0.00 1.72 1.70 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0 V 7.80 3.79 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 0.72 0.00 0.00 0.93 0.00 0.00 6 I 8.76 4.88 1.91 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 1.24 0.64 0.86 0.00 0.00 7 E 9.29 4.92 0.00 1.81 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 8 A 8.33 4.91 1.03 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 9 T 7.94 3.49 2.69 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 -0.40 0.00 0.00 10 A 8.05 4.00 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 11 N 7.23 4.66 0.00 3.13 3.05 0.00 0.00 6.91 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 12 L 7.65 4.15 0.00 1.57 1.65 0.97 0.78 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 13 R 9.24 4.70 0.00 1.85 1.81 0.00 3.13 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 14 L 8.34 5.20 0.00 1.63 1.55 0.93 1.02 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 15 E 9.38 4.28 0.00 1.80 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 2.47 2.54 0.00 16 T 7.48 4.64 4.35 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 1.25 0.00 0.00 17 S 8.20 4.31 0.00 3.97 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 18 P 0.00 3.74 0.00 1.54 0.49 0.00 3.39 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.67 0.00 19 G 7.74 3.50 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 0.00 20 E 8.04 3.95 0.00 2.05 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 2.28 2.29 0.00 21 L 7.92 3.93 0.00 1.77 1.76 0.96 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.04 4.03 0.00 1.90 1.72 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.21 3.96 0.00 2.19 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 2.31 2.53 0.00 24 Q 8.37 3.97 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 25 A 8.33 4.02 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 26 N 8.50 4.27 0.00 3.00 2.86 0.00 0.00 6.97 8.34 0.00 0.00 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 A 8.34 4.16 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.23 4.01 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 29 L 8.25 4.28 0.00 1.95 1.90 0.87 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.92 4.61 0.00 3.14 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 31 A 8.46 3.95 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 32 S 7.87 4.18 0.00 3.96 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 33 G 7.53 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 34 Q 7.32 4.03 0.00 0.93 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.31 6.61 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 35 F 7.50 5.19 0.00 3.15 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 36 G 8.75 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 0.00 0.00 0.00 37 E 8.82 3.55 0.00 1.39 1.12 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 1.72 2.03 0.00 38 A 7.81 4.04 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 39 D 7.89 4.51 0.00 3.02 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 40 I 7.54 4.11 1.86 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.62 0.87 0.00 0.00 41 K 8.50 4.61 0.00 1.47 1.73 0.00 1.72 0.00 0.00 1.80 0.00 0.00 3.13 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.31 1.35 7.81 42 S 8.67 6.03 0.00 3.84 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 43 R 8.32 4.84 0.00 1.87 2.04 0.00 3.10 0.00 0.00 3.55 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 44 F 8.83 5.23 0.00 3.03 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 45 V 8.24 4.44 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 0.96 0.00 0.00 0.90 0.00 0.00 46 T 8.60 4.67 4.30 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 1.24 0.00 0.00 47 L 8.76 4.43 0.00 1.32 1.62 0.79 0.68 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 48 E 9.10 4.22 0.00 2.00 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 0.00 2.31 2.27 0.00 49 A 8.00 4.55 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 50 Y 7.49 5.05 0.00 3.12 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 51 R 8.47 4.73 0.00 1.81 1.84 0.00 3.29 0.00 0.00 3.07 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 52 Q 8.38 4.43 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.09 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 53 G 8.83 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.37 4.49 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 55 A 7.96 4.08 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 56 A 8.23 4.63 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 57 V 7.08 4.58 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 0.79 0.00 0.00 1.07 0.00 0.00 58 E 9.04 4.31 0.00 2.11 1.89 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 2.45 2.40 0.00 59 R 8.71 5.12 0.00 1.80 1.98 0.00 3.27 0.00 0.00 3.30 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 60 A 8.63 4.92 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 61 Y 8.14 5.08 0.00 3.10 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 62 L 9.06 5.21 0.00 1.76 1.53 0.99 0.79 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 63 H 9.51 5.58 0.00 3.29 3.14 0.00 5.77 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 64 A 8.70 5.83 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 65 C 8.54 4.96 0.00 2.95 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 66 L 8.93 4.89 0.00 1.78 1.52 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.70 5.33 0.00 3.78 3.74 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 68 I 8.43 4.56 1.92 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 1.37 0.79 0.94 0.00 0.00 69 L 8.25 4.46 0.00 1.48 1.54 0.78 0.52 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 70 D 8.01 4.83 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 71 G 8.67 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 72 R 7.76 4.28 0.00 1.82 1.87 0.00 3.36 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 73 D 8.21 4.72 0.00 2.94 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 74 A 8.46 3.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.96 3.93 1.32 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 0.00 0.00 0.00 76 T 8.44 3.80 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 1.20 0.00 0.00 77 R 7.89 3.94 0.00 2.02 1.99 0.00 3.14 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 78 Q 8.44 3.95 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 79 A 8.21 4.02 1.36 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 0.00 0.00 0.00 80 L 8.13 4.08 0.00 1.93 1.81 1.08 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.09 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.34 3.99 0.00 2.01 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 2.48 2.46 0.00 83 S 8.24 4.09 0.00 3.98 4.06 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 84 L 7.98 4.04 0.00 1.90 1.71 0.93 0.75 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 85 C 8.47 4.08 0.00 3.10 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 86 E 8.30 3.94 0.00 2.24 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 0.00 2.32 2.37 0.00 87 V 7.44 3.60 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 0.92 0.00 0.00 1.02 0.00 0.00 88 L 8.19 4.14 0.00 1.89 1.72 1.03 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 89 A 8.51 4.12 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.14 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 91 A 7.89 4.35 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 92 V 7.14 3.89 2.21 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 0.81 0.00 0.00 1.00 0.00 0.00 93 A 9.40 4.45 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 94 G 7.92 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 0.00 0.00 0.00 95 G 9.34 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 0.00 0.00 0.00 0.00 96 G 8.10 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 0.00 0.00 0.00 97 E 8.76 4.54 0.00 1.93 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 2.28 2.25 0.00 98 E 7.57 4.51 0.00 2.03 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 2.20 2.33 0.00 99 G 8.62 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 0.00 0.00 0.00 100 V 7.99 4.51 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 0.88 0.00 0.00 0.95 0.00 0.00 101 Q 8.77 4.29 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.63 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 102 V 8.47 5.17 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 0.86 0.00 0.00 0.96 0.00 0.00 103 S 8.99 4.84 0.00 3.94 3.90 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 0.00 104 V 8.20 4.69 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 0.79 0.00 0.00 0.96 0.00 0.00 105 E 9.14 4.51 0.00 2.14 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 2.27 2.26 0.00 106 V 8.38 4.92 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 0.91 0.00 0.00 1.00 0.00 0.00 107 R 9.25 4.77 0.00 1.83 2.17 0.00 2.79 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 108 E 8.20 5.98 0.00 1.91 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 2.29 2.11 0.00 *110 E 8.42 4.55 0.00 2.04 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 2.39 2.28 0.00 111 R 9.30 3.91 0.00 2.02 1.90 0.00 3.15 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 112 A 8.12 4.08 1.36 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 0.00 0.00 0.00 113 S 7.51 4.63 0.00 4.04 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 0.00 114 Y 7.89 4.13 0.00 3.13 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 0.00 115 A 7.83 4.73 1.12 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 0.00 116 K 8.02 4.58 0.00 1.75 1.50 0.00 0.61 0.00 0.00 1.46 0.00 0.00 2.68 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.18 1.33 7.81 117 R 8.39 4.74 0.00 1.78 1.82 0.00 3.21 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 118 V 8.20 4.08 1.84 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 0.71 0.00 0.00 0.17 0.00 0.00 119 V 8.20 3.96 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 0.93 0.00 0.00 120 A 8.23 4.15 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 0.00 121 R 8.31 4.06 0.00 1.74 1.80 0.00 3.31 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 * Residues marked with a * may have inaccurate shift predictions.