NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.2610 8.2544 120.8608 55.3243 31.5477 174.4478 3 R 4.4522 7.2013 114.9026 55.0872 31.7875 171.7615 4 R 4.5122 9.1012 117.2747 54.2732 33.4127 176.0742 5 V 4.3400 8.0850 121.3094 59.9069 30.3523 174.9650 6 I 3.8000 7.0885 114.5336 60.0930 39.3861 181.2730 7 G 4.2088 6.5345 112.5688 44.9724 0.0000 172.8631 8 Q 4.5058 8.1389 125.7948 53.7101 31.7024 174.5105 9 R 4.2064 8.4431 124.5488 54.7706 30.2457 176.0042 10 K 3.9817 8.6248 126.8779 56.9298 32.7013 175.6640 11 I 4.6497 7.8996 124.6285 59.0354 40.6604 174.9381 12 L 4.1808 8.2212 124.3175 53.9927 42.6139 175.0851 13 P 4.6579 0.0000 0.0000 61.7359 32.4815 175.4929 14 D 4.4195 8.0327 119.6491 54.3268 41.6007 176.0483 15 P 4.5600 0.0000 0.0000 61.9405 30.5355 176.1575 16 K 4.3164 7.4709 128.4833 58.7638 35.4384 175.3799 17 F 4.0457 8.9626 116.9776 58.6805 39.5240 174.6068 18 G 3.5608 7.8696 107.1095 46.0879 0.0000 173.1447 19 S 4.5882 7.6479 113.8345 56.6338 65.4218 174.6754 20 E 3.8626 8.6282 128.0548 59.1222 29.2777 178.9097 21 L 3.9549 7.9411 118.4635 58.5226 40.4903 178.2022 22 L 4.1245 7.4108 118.5781 55.5202 42.0269 178.0188 23 A 4.0013 7.7966 120.2417 55.2443 18.1451 178.7413 24 K 4.1689 7.9484 116.6192 57.8430 32.6222 178.5571 25 F 4.1725 7.9661 120.8551 61.6542 39.2539 176.8903 26 V 3.7824 7.3592 107.2575 62.1076 30.9588 176.4197 27 N 4.6557 7.8898 119.0730 54.2512 40.2430 176.2283 28 I 4.2246 6.6315 120.8457 58.7962 35.6951 174.0391 29 L 4.3471 7.1026 119.9667 55.7642 48.8218 174.4112 30 M 4.2324 7.9381 119.0641 54.3167 32.4633 175.2069 31 V 4.0655 8.2982 126.2288 61.5624 32.9276 175.8152 32 D 4.0034 9.2340 124.1148 55.7924 38.6586 173.6661 33 G 3.9666 8.1196 101.6401 47.2240 0.0000 176.0009 34 K 4.4931 7.3842 116.6673 55.0088 32.3352 178.3517 35 K 4.3623 7.5850 122.7327 56.1231 31.3888 177.8020 36 S 4.6225 7.6233 109.2482 57.9237 64.5813 173.7542 37 T 4.6234 8.1427 114.6848 63.6833 69.6188 173.6935 38 A 4.5392 7.9195 124.0988 54.1004 20.7715 179.1890 39 E 4.2827 8.1162 109.5838 57.7821 29.4429 178.1616 40 S 4.7788 7.8302 115.3679 56.4424 64.1412 174.0549 41 I 4.3289 7.3417 117.7735 61.5439 42.9462 174.1818 42 V 4.2689 7.7135 117.2984 64.9959 33.5448 176.1934 43 Y 4.3150 8.2619 117.7255 58.9726 38.8446 175.8481 44 S 4.4799 7.9816 111.5685 59.5413 65.0574 175.1897 45 A 4.6755 7.9160 121.1115 51.4899 17.9576 177.1689 46 L 4.4887 7.6953 120.5732 56.4767 43.8096 177.4960 47 E 4.3966 7.7337 117.0182 56.8978 29.0773 176.9854 48 T 4.4391 7.5109 109.2088 61.9562 69.2475 175.4829 49 L 4.3984 7.6043 121.1248 55.4807 42.1783 177.2070 50 A 4.4709 7.4265 121.9249 52.4263 17.8230 178.5700 51 Q 4.4170 7.7751 119.3117 57.4155 31.1487 176.9755 52 R 4.1528 7.3546 111.4913 56.9228 30.4657 175.7058 53 S 4.4868 7.8811 116.3736 59.7697 69.0586 177.4620 54 G 4.2599 7.9696 108.0124 44.1080 0.0000 173.7105 55 K 4.2209 7.4553 118.2087 55.6762 34.0703 176.2939 56 S 4.0953 8.4741 114.5442 59.4859 61.6398 173.5311 57 E 4.4200 8.3054 126.2593 55.2014 28.3391 174.6944 58 L 4.2420 7.9732 127.3386 55.8673 48.9624 175.8191 59 E 4.2299 7.9856 117.1938 58.4613 29.8686 178.9031 60 A 4.3506 7.6533 119.4465 52.4341 17.8217 177.2891 61 F 4.6012 8.4727 120.2464 61.3230 41.1132 177.3475 62 E 3.0266 8.0503 120.5838 58.2471 29.5340 178.5726 63 V 3.6385 7.3229 116.3395 64.3610 32.1136 176.7478 64 A 3.9630 7.7054 121.8912 54.0810 18.8249 177.8570 65 L 4.4048 6.5285 117.2373 54.1741 40.8895 174.8105 66 E 4.3347 7.6676 119.6267 58.0241 31.9574 176.1904 67 N 4.7637 7.9587 112.8302 53.3654 38.4153 175.6387 68 V 4.2058 7.5302 114.6997 62.2692 32.6662 175.6843 69 R 4.3178 7.5528 117.8357 54.0637 29.6726 173.8522 70 P 4.5845 0.0000 0.0000 63.0550 32.1695 176.4841 71 T 4.6833 8.6667 113.6291 61.5365 69.9184 173.3560 72 V 5.0104 7.8421 113.4578 59.7432 34.7548 174.5554 73 E 4.7149 9.9551 122.7380 54.6619 33.7011 175.4999 74 V 4.0550 8.3341 113.9656 60.3265 31.4818 175.5342 75 K 4.2699 8.2725 127.2999 54.1743 31.8881 175.2636 76 S 4.8924 8.1199 121.3185 58.0520 62.9871 171.9206 77 R 4.3369 7.8411 119.3754 56.3784 32.7268 174.4928 78 R 4.5972 8.6193 121.1189 54.3747 30.6493 173.6015 79 V 4.2843 8.0315 115.4469 60.2304 35.6354 173.2326 80 G 3.9558 8.6620 116.1434 43.7856 0.0000 174.6973 81 G 4.6055 7.2047 117.7203 44.9266 0.0000 173.4207 82 S 4.5789 8.5621 110.4191 58.5194 63.5734 175.0095 83 T 4.8757 8.6394 109.9442 59.8411 72.6153 173.0048 84 Y 4.8783 8.0507 119.4305 57.1809 41.5100 174.7864 85 Q 4.0470 8.3042 124.8464 56.6890 30.6737 178.1629 86 V 3.0795 6.1898 114.7700 60.7111 28.4258 171.4414 87 P 4.7079 0.0000 0.0000 62.9687 31.8613 176.7942 88 V 4.7055 9.6255 122.6580 59.6821 35.3165 174.2742 89 E 4.3487 8.8141 119.4206 56.7867 30.2992 176.3035 90 V 4.5306 8.2956 114.1031 59.8667 34.5090 176.0821 91 R 4.4812 8.3084 121.9039 54.4431 31.6813 176.0829 92 P 4.3443 0.0000 0.0000 65.5991 31.4756 179.2242 93 V 3.8543 7.8976 110.3912 63.0917 31.7044 176.6747 94 R 4.5259 7.8540 114.7603 55.8869 29.2974 176.6892 95 R 3.8790 7.3154 116.7349 59.1597 29.5917 178.1594 96 N 4.3331 8.0614 118.1255 56.7802 39.3490 176.9263 97 A 4.1917 8.0695 121.2850 56.0457 18.6474 178.6675 98 L 3.6420 8.9097 114.1886 58.2586 41.5667 179.3322 99 A 2.6990 7.1959 120.4054 56.0071 18.5398 179.8392 100 M 4.1293 7.1801 113.9261 59.4649 32.4353 178.6690 101 R 3.9837 8.4785 119.0259 57.5725 29.9757 178.3610 102 W 4.7005 8.5398 121.8852 60.4260 29.3720 178.3592 103 I 3.7535 7.8449 119.5372 64.4952 36.7147 178.1525 104 V 3.8730 8.3450 119.1834 65.5254 31.3605 177.6924 105 E 4.0450 8.1895 117.9580 59.5642 28.8617 178.9829 106 A 4.0909 8.8380 120.6834 54.9837 18.2857 178.8578 107 A 4.0232 7.5375 117.2775 53.6878 18.7457 179.4445 108 R 4.1825 7.9376 117.4495 58.4320 30.4602 179.4001 109 K 4.6529 7.3162 116.8812 56.8031 33.4310 178.7731 110 R 3.8221 8.6856 119.6439 56.8192 28.3974 176.6981 111 G 3.6553 5.3800 116.8548 46.2517 0.0000 173.8402 112 D 4.6746 7.5892 122.2871 53.0894 42.3480 176.0670 113 K 4.2411 8.5696 120.1170 59.5774 33.5521 177.2130 114 S 4.3661 7.5597 117.1684 57.6058 63.8645 175.0515 115 M 4.8030 8.5933 114.4362 54.7183 33.3975 175.9112 116 A 4.2175 8.0635 120.3191 53.8878 19.1925 178.2957 117 L 4.3354 7.8144 116.9149 56.1545 44.0179 178.3050 118 R 4.1405 7.4607 113.2393 56.3020 29.7532 176.6057 119 L 4.6020 8.1816 119.5917 56.3526 46.4692 177.6710 120 A 4.2536 7.5804 119.3172 53.9070 18.8416 177.8998 121 N 4.5622 7.9343 112.9036 55.4519 39.0512 176.4916 122 E 4.3986 8.0954 116.3703 56.4093 29.6098 176.5260 123 L 5.3660 7.7437 115.8516 54.8628 42.8038 176.9987 124 S 4.4933 7.9959 113.6196 60.4805 66.5348 176.0710 125 D 4.3394 8.3745 119.7198 57.4161 40.7235 179.0125 126 A 4.0647 7.4452 120.0875 55.0333 18.3579 178.1158 127 A 4.2198 7.8239 116.2200 53.0618 18.6624 177.2365 128 E 4.4507 8.4186 115.1883 55.2321 30.8111 176.0361 129 N 4.5178 8.4085 113.4474 54.1850 35.9745 174.6310 130 K 4.2302 7.7141 120.5165 56.6720 34.4748 176.0581 131 G 4.1867 8.4811 107.7192 44.5959 0.0000 174.0292 132 T 4.3020 8.2604 112.5969 64.4282 68.5572 176.3223 133 A 4.0371 7.6529 122.6407 55.2807 18.2830 179.5491 134 V 4.0451 7.5445 115.0931 62.8799 32.2121 178.2130 135 K 3.9764 8.0399 119.7801 59.1788 32.2871 178.2741 136 K 4.0646 8.4048 119.3061 59.5369 32.0880 178.7808 137 R 4.0539 7.5457 117.8918 59.7760 29.7955 177.5336 138 E 4.4294 8.5284 116.1069 57.1409 29.7095 177.4471 139 D 4.4219 8.1550 118.6179 55.4875 41.2205 176.8668 140 V 4.1570 7.4740 117.1402 65.0522 32.9012 176.9353 141 H 3.9101 8.3188 115.0664 58.7901 28.5907 177.4156 142 R 4.0409 7.4657 119.6657 59.2520 29.8414 177.7977 143 M 4.2346 7.8494 117.4108 56.1597 32.9204 176.0687 144 A 4.3465 8.3031 123.1183 52.2960 19.5817 178.2382 145 E 3.8321 8.8897 121.2705 56.6062 29.2701 174.4283 146 A 4.5331 7.8000 119.0224 52.8122 18.6301 176.8153 147 N 5.1088 7.7624 112.6809 51.7530 38.7518 174.8343 148 K 4.3216 7.7539 114.7419 56.0367 33.1033 176.6949 149 A 3.9611 7.8043 122.1409 54.6926 18.4001 179.3305 150 F 4.4508 7.4797 112.3676 59.2437 39.8245 177.1933 151 A 3.8107 7.5119 124.7965 55.8842 18.4265 177.6654 *152 H 4.5383 7.9553 115.0741 54.7655 28.7451 175.2863 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 2 R 8.25 4.26 0.00 1.79 1.99 0.00 3.26 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 3 R 7.20 4.45 0.00 1.84 1.82 0.00 3.39 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.63 0.00 4 R 9.10 4.51 0.00 1.74 1.77 0.00 3.30 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 5 V 8.09 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 0.82 0.00 0.00 0.94 0.00 0.00 6 I 7.09 3.80 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.53 0.91 0.00 0.00 7 G 6.53 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 8 Q 8.14 4.51 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.91 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 9 R 8.44 4.21 0.00 1.81 1.84 0.00 3.31 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 10 K 8.62 3.98 0.00 1.74 1.71 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.54 7.81 11 I 7.90 4.65 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.86 0.91 0.00 0.00 12 L 8.22 4.18 0.00 1.59 1.54 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.66 0.00 2.09 1.97 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 14 D 8.03 4.42 0.00 2.95 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 15 P 0.00 4.56 0.00 1.92 1.93 0.00 3.67 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 0.92 1.72 0.00 16 K 7.47 4.32 0.00 2.02 2.35 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.26 1.44 7.81 17 F 8.96 4.05 0.00 3.03 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 18 G 7.87 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 19 S 7.65 4.59 0.00 3.95 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 20 E 8.63 3.86 0.00 2.04 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 2.53 2.37 0.00 21 L 7.94 3.95 0.00 1.82 1.85 0.97 0.62 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 22 L 7.41 4.12 0.00 1.10 1.48 0.62 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.80 4.00 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 24 K 7.95 4.17 0.00 1.85 1.84 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.50 7.81 25 F 7.97 4.17 0.00 3.07 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 26 V 7.36 3.78 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 0.89 0.00 0.00 1.00 0.00 0.00 27 N 7.89 4.66 0.00 2.89 2.82 0.00 0.00 6.83 7.20 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 28 I 6.63 4.22 1.75 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 1.16 0.49 0.88 0.00 0.00 29 L 7.10 4.35 0.00 1.26 1.41 0.86 0.94 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 30 M 7.94 4.23 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.50 0.00 31 V 8.30 4.07 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 0.77 0.00 0.00 0.92 0.00 0.00 32 D 9.23 4.00 0.00 2.83 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 33 G 8.12 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 34 K 7.38 4.49 0.00 2.00 1.73 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.36 7.81 35 K 7.58 4.36 0.00 1.72 1.77 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.40 7.81 36 S 7.62 4.62 0.00 3.75 3.78 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 37 T 8.14 4.62 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 38 A 7.92 4.54 1.24 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 0.00 0.00 39 E 8.12 4.28 0.00 1.92 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 2.21 0.00 40 S 7.83 4.78 0.00 3.84 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.34 4.33 2.03 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 1.31 0.39 1.00 0.00 0.00 42 V 7.71 4.27 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 1.14 0.00 0.00 0.99 0.00 0.00 43 Y 8.26 4.31 0.00 2.93 2.96 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 44 S 7.98 4.48 0.00 4.05 4.10 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 45 A 7.92 4.68 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 46 L 7.70 4.49 0.00 1.64 1.49 0.68 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.73 4.40 0.00 1.89 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 0.00 2.06 2.29 0.00 48 T 7.51 4.44 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 1.24 0.00 0.00 49 L 7.60 4.40 0.00 1.93 1.83 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.43 4.47 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 51 Q 7.78 4.42 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.96 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 52 R 7.35 4.15 0.00 1.84 1.95 0.00 3.30 0.00 0.00 3.44 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 53 S 7.88 4.49 0.00 3.76 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 54 G 7.97 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 0.00 0.00 0.00 0.00 55 K 7.46 4.22 0.00 1.88 1.87 0.00 1.58 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.45 7.81 56 S 8.47 4.10 0.00 3.95 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 57 E 8.31 4.42 0.00 1.91 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 2.47 2.31 0.00 58 L 7.97 4.24 0.00 1.68 1.72 1.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 59 E 7.99 4.23 0.00 2.13 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 2.42 2.41 0.00 60 A 7.65 4.35 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.47 4.60 0.00 2.85 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 62 E 8.05 3.03 0.00 2.05 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 2.23 2.17 0.00 63 V 7.32 3.64 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 0.81 0.00 0.00 0.91 0.00 0.00 64 A 7.71 3.96 1.20 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 65 L 6.53 4.40 0.00 0.92 1.32 0.56 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.67 4.33 0.00 1.82 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 2.11 2.20 0.00 67 N 7.96 4.76 0.00 2.71 2.77 0.00 0.00 6.58 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.53 4.21 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 0.70 0.00 0.00 0.89 0.00 0.00 69 R 7.55 4.32 0.00 1.76 1.82 0.00 3.19 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.56 0.00 70 P 0.00 4.58 0.00 2.29 2.29 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.40 0.00 71 T 8.67 4.68 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 72 V 7.84 5.01 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 0.88 0.00 0.00 0.81 0.00 0.00 73 E 9.96 4.71 0.00 1.83 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 2.21 2.39 0.00 74 V 8.33 4.05 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 nan 0.00 0.00 0.88 0.00 0.00 75 K 8.27 4.27 0.00 1.74 1.72 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.41 7.81 76 S 8.12 4.89 0.00 3.89 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 R 7.84 4.34 0.00 1.96 2.08 0.00 3.34 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 78 R 8.62 4.60 0.00 1.79 1.75 0.00 3.43 0.00 0.00 3.20 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 79 V 8.03 4.28 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.39 0.00 0.00 80 G 8.66 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 81 G 7.20 4.61 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 S 8.56 4.58 0.00 3.91 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 83 T 8.64 4.88 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 84 Y 8.05 4.88 0.00 2.92 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.30 4.05 0.00 1.64 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.60 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 86 V 6.19 3.08 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 0.71 0.00 0.00 0.14 0.00 0.00 87 P 0.00 4.71 0.00 2.09 2.02 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 88 V 9.63 4.71 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 0.78 0.00 0.00 0.93 0.00 0.00 89 E 8.81 4.35 0.00 1.99 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 2.28 2.41 0.00 90 V 8.30 4.53 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 0.75 0.00 0.00 1.02 0.00 0.00 91 R 8.31 4.48 0.00 1.89 1.86 0.00 3.14 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 92 P 0.00 4.34 0.00 2.19 2.10 0.00 3.62 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 2.12 2.11 0.00 93 V 7.90 3.85 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 0.74 0.00 0.00 0.95 0.00 0.00 94 R 7.85 4.53 0.00 1.98 2.15 0.00 2.91 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.92 0.00 95 R 7.32 3.88 0.00 1.93 1.92 0.00 3.17 0.00 0.00 3.17 8.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 96 N 8.06 4.33 0.00 2.71 2.98 0.00 0.00 6.85 7.35 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 97 A 8.07 4.19 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 98 L 8.91 3.64 0.00 1.82 1.46 1.15 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.20 2.70 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 0.00 100 M 7.18 4.13 0.00 2.51 2.50 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.14 2.97 0.00 101 R 8.48 3.98 0.00 2.21 2.15 0.00 3.33 0.00 0.00 3.25 8.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.01 0.00 102 W 8.54 4.70 0.00 3.46 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 0.00 103 I 7.84 3.75 2.14 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.36 1.03 0.00 0.00 104 V 8.35 3.87 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.89 0.00 0.00 105 E 8.19 4.04 0.00 2.28 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.70 0.00 106 A 8.84 4.09 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 0.00 107 A 7.54 4.02 1.44 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 0.00 0.00 108 R 7.94 4.18 0.00 2.14 1.98 0.00 3.12 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 109 K 7.32 4.65 0.00 1.94 1.84 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.56 7.81 110 R 8.69 3.82 0.00 1.82 1.86 0.00 3.39 0.00 0.00 3.25 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.73 0.00 111 G 5.38 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 D 7.59 4.67 0.00 2.67 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 0.00 113 K 8.57 4.24 0.00 1.72 1.84 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.43 7.81 114 S 7.56 4.37 0.00 3.98 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 0.00 115 M 8.59 4.80 0.00 1.92 2.05 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 116 A 8.06 4.22 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 0.00 117 L 7.81 4.34 0.00 1.60 1.62 0.95 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.46 4.14 0.00 2.05 2.06 0.00 3.32 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.67 0.00 119 L 8.18 4.60 0.00 1.75 1.63 1.04 1.24 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 0.00 120 A 7.58 4.25 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 0.00 121 N 7.93 4.56 0.00 3.00 2.87 0.00 0.00 6.50 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 0.00 122 E 8.10 4.40 0.00 2.07 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 2.40 2.42 0.00 123 L 7.74 5.37 0.00 1.82 1.63 0.93 0.95 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 0.00 124 S 8.00 4.49 0.00 3.81 3.79 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 0.00 125 D 8.37 4.34 0.00 3.01 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 0.00 126 A 7.45 4.06 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 0.00 127 A 7.82 4.22 1.24 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 0.00 0.00 128 E 8.42 4.45 0.00 1.95 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 2.19 2.22 0.00 129 N 8.41 4.52 0.00 2.92 3.03 0.00 0.00 6.91 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 K 7.71 4.23 0.00 1.71 1.75 0.00 1.93 0.00 0.00 1.85 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.43 7.81 131 G 8.48 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 0.00 132 T 8.26 4.30 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 1.25 0.00 0.00 133 A 7.65 4.04 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 0.00 134 V 7.54 4.05 2.14 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 0.99 0.00 0.00 1.01 0.00 0.00 135 K 8.04 3.98 0.00 1.79 1.91 0.00 2.01 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.49 7.81 136 K 8.40 4.06 0.00 2.31 1.98 0.00 2.04 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.67 7.81 137 R 7.55 4.05 0.00 2.08 2.18 0.00 3.30 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 138 E 8.53 4.43 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 139 D 8.16 4.42 0.00 2.79 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 0.00 140 V 7.47 4.16 2.34 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 1.16 0.00 0.00 0.85 0.00 0.00 141 H 8.32 3.91 0.00 3.15 3.41 0.00 5.91 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 R 7.47 4.04 0.00 2.15 1.98 0.00 3.26 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 143 M 7.85 4.23 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.64 0.00 144 A 8.30 4.35 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 0.00 145 E 8.89 3.83 0.00 2.05 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 2.17 2.35 0.00 146 A 7.80 4.53 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 N 7.76 5.11 0.00 3.03 3.04 0.00 0.00 6.47 7.56 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 0.00 148 K 7.75 4.32 0.00 1.69 1.75 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.40 7.81 149 A 7.80 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 F 7.48 4.45 0.00 2.66 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 0.00 151 A 7.51 3.81 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *152 H 7.96 4.54 0.00 2.69 2.89 0.00 5.87 0.00 0.00 0.00 0.00 6.91 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.