NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.6949 0.0000 0.0000 62.6011 33.1927 174.7593 3 N 4.9663 9.0163 118.5967 51.8908 42.9572 171.3913 4 T 5.2304 8.3509 119.7939 61.6768 72.7154 172.5328 5 I 4.8857 8.6554 118.5548 59.1458 41.2309 174.4890 6 R 5.1196 8.6111 121.0584 54.6331 33.7454 174.8213 7 L 5.0331 8.8531 121.9339 53.5017 46.2909 175.0050 8 H 5.3891 8.6264 119.9464 55.2521 33.1474 172.5898 9 R 4.5659 8.9166 122.6362 55.0939 35.1226 173.8156 10 V 4.6436 8.2270 121.9909 61.4570 33.1990 174.8756 11 L 4.8872 8.8312 127.4218 52.3409 44.8328 177.3142 12 S 4.8551 9.1040 119.8598 56.2699 61.8430 173.6027 13 A 4.7250 7.1107 123.0015 49.8559 22.7309 174.3178 14 P 4.5153 0.0000 0.0000 61.7791 32.5206 175.5520 15 P 4.2117 0.0000 0.0000 66.1885 31.2553 178.3831 16 E 3.9813 8.1913 117.2461 59.1982 29.5646 178.7341 17 R 3.9350 8.0932 118.9138 59.3506 29.9722 178.6137 18 V 3.6074 7.7703 116.4915 66.0357 31.9545 176.7048 19 Y 4.3400 8.4858 119.6748 60.8990 38.6078 178.0545 20 R 3.8998 8.3769 119.2084 59.6742 29.9555 178.2305 21 A 4.2036 7.9939 118.9365 55.1169 18.3728 179.0419 22 F 4.5778 8.1423 114.4337 59.1655 39.2192 176.2629 23 L 4.4526 7.5620 116.6888 55.1767 43.9361 176.2290 24 D 4.4169 8.5425 120.1010 53.1239 41.4431 174.8350 25 P 4.1871 0.0000 0.0000 66.1572 30.6060 178.4449 26 L 3.9819 8.4010 118.4769 57.3802 41.4408 179.2970 27 A 3.9681 8.0656 120.3115 55.1933 18.5033 179.4359 28 L 3.2695 8.2569 117.6790 57.7771 41.4596 179.6879 29 A 4.0133 7.8099 119.3807 54.2348 18.2532 178.9298 30 K 4.1525 7.2379 117.2608 58.2986 32.8878 177.9588 31 W 4.6169 7.9965 115.1201 57.8497 28.8301 177.4531 32 L 3.0045 6.6144 121.2587 56.7623 41.6145 175.3993 33 P 2.9700 0.0000 0.0000 61.3772 31.6490 174.5029 34 P 4.4252 0.0000 0.0000 61.7141 32.2625 174.9222 35 E 4.0853 8.3464 117.8487 58.3713 29.6029 178.1625 36 G 3.8792 9.1026 110.6511 45.3383 0.0000 172.3403 37 F 5.3312 7.9156 117.1201 55.5753 42.2083 174.9865 38 V 4.5988 8.8139 114.1189 59.7735 35.4009 174.1642 39 C 5.5269 8.5346 121.2239 57.6472 34.7251 172.8205 40 K 4.5523 8.8160 126.5330 54.5805 34.0370 175.4854 41 V 3.9764 8.4503 127.7463 61.9286 31.7587 175.2438 42 L 4.2909 8.7352 128.8285 56.7023 42.3397 177.0077 43 E 4.7286 7.6959 117.9365 54.4921 33.0676 175.0273 44 H 4.9494 7.8953 120.1566 54.8368 27.8304 174.5562 45 D 4.6078 8.7805 118.8090 53.2626 40.7036 177.3769 46 A 4.0700 7.9822 132.9828 50.9667 17.3595 177.1056 47 R 4.6927 7.3832 121.1411 53.1020 34.7377 175.8620 48 V 3.8740 8.3593 120.7192 64.7490 31.7472 176.3299 49 G 4.0613 9.7676 117.4670 45.0403 0.0000 173.7884 50 G 4.0601 8.6528 107.2177 46.0735 0.0000 172.9382 51 A 5.3255 8.4940 122.6093 50.5123 21.2562 175.6307 52 Y 5.1059 7.8648 116.7312 55.4562 41.9536 174.1435 53 K 4.4971 9.1429 121.0520 55.2042 36.6162 174.2792 *55 E 4.5701 8.6120 121.4854 56.3577 31.3154 174.2696 56 F 5.9228 9.4953 121.8638 56.1356 41.8130 174.6799 57 L 5.4527 9.0653 122.0728 52.7163 45.2924 175.6830 58 A 3.5372 9.1253 126.7768 51.6314 18.6977 177.6006 59 F 3.8957 8.9831 126.6639 61.6789 39.3034 176.6455 60 A 4.0202 8.1997 119.9767 54.6323 18.3356 178.1889 61 S 4.3486 7.9745 107.9825 58.0277 64.2726 175.3388 62 G 3.8065 8.3745 109.1241 44.3395 0.0000 173.1097 63 Q 3.9613 7.7650 121.6990 56.9880 29.7438 175.7006 64 K 5.2163 8.6294 125.2580 55.3325 34.9820 175.6882 65 H 4.9853 9.4533 119.6994 54.4545 32.6919 172.1801 66 A 5.1940 8.8929 125.2636 50.3921 21.8925 175.1230 67 F 4.9373 6.8838 114.4106 55.9917 42.0379 172.8634 68 G 3.0993 7.7978 105.1393 46.5592 0.0000 171.8080 69 G 4.4540 5.3800 103.9008 45.7651 0.0000 172.1783 70 R 5.0788 7.9994 117.8613 54.4635 34.7650 174.5513 71 Y 4.8795 8.6355 120.0572 58.3066 38.5972 176.2174 72 L 4.3716 9.4161 123.5566 55.6629 44.0215 176.9627 73 E 4.7711 8.1374 116.5369 54.8590 34.0699 175.3504 74 L 5.1522 8.5762 122.7032 53.4815 43.9104 173.8947 75 V 4.0871 8.9772 122.6637 60.2409 32.9429 172.4573 76 P 2.9700 0.0000 0.0000 63.0694 30.8330 176.3796 77 G 3.8531 6.3815 110.6809 45.9836 0.0000 172.8478 78 E 4.7554 8.4299 118.3299 56.2408 34.1912 175.6597 79 R 5.2325 7.7720 117.5581 55.1648 34.0654 173.8846 80 I 5.1885 8.9073 125.6059 59.8901 41.7922 174.0759 81 R 5.1481 9.1094 126.9636 54.8239 33.5539 173.3770 82 Y 5.4840 8.1867 122.6190 56.2341 42.1049 173.9754 83 T 4.7973 9.0467 111.3642 61.2590 71.5231 173.0749 84 D 5.2321 8.3016 120.6086 52.5903 45.1283 173.9375 85 R 4.7104 8.6135 125.0661 55.4362 34.0358 174.9061 86 F 5.2412 8.9123 125.4497 56.0228 41.0679 175.4276 87 D 4.8330 8.7602 116.3594 53.4837 40.5578 174.4979 88 D 4.5013 8.1860 115.7546 54.3917 43.3676 176.2913 89 A 4.2983 8.5096 131.9009 54.8763 20.9152 175.2332 90 G 3.7836 8.2412 111.4803 46.2771 0.0000 171.4595 91 L 4.0545 8.3466 123.5067 55.5651 40.9875 177.4106 92 P 3.7121 0.0000 0.0000 61.2122 30.1495 176.3595 93 G 3.6740 8.7451 110.4934 45.8843 0.0000 171.1523 94 D 5.1324 8.0239 116.8050 53.6508 41.4872 175.5901 *96 I 4.1576 8.0490 119.1834 61.8371 38.8260 175.0303 97 T 4.8278 8.2769 117.2664 60.0030 71.4523 173.1798 98 T 4.8439 9.1091 122.2652 61.7122 71.5477 172.9235 99 I 4.8174 9.1834 128.3950 59.5290 39.9361 174.6825 100 T 5.0149 8.7601 117.0835 59.7828 71.4201 172.8461 101 L 5.4244 9.3557 125.4600 52.8536 45.2602 175.3764 102 A 4.8428 8.5673 123.2078 49.3808 22.8111 173.7734 103 P 4.9170 0.0000 0.0000 62.8080 32.6768 175.7391 104 L 4.8416 8.5913 120.4042 52.8138 45.8336 177.8170 105 S 4.1448 8.7789 116.2104 61.4023 62.7431 175.3633 106 C 4.3568 8.2458 114.8308 58.0328 31.4976 175.9529 107 G 4.5091 7.5581 113.2746 45.4926 0.0000 172.6833 108 A 5.0629 5.8000 119.7728 50.3938 24.4313 176.6290 109 D 5.0391 9.1739 120.8867 52.5073 43.4585 174.8374 110 L 5.2300 9.0367 128.1802 53.3826 44.9310 175.0727 111 S 5.2409 8.8753 121.5233 56.8079 66.8850 173.0868 112 I 4.8627 8.8750 124.2105 59.4058 41.0800 174.4703 113 V 4.5549 8.5601 125.9239 61.0060 34.5831 173.8291 114 Q 4.8253 8.9602 129.3807 54.4202 31.0947 173.6974 115 E 4.9494 8.5637 124.9598 54.5174 32.1240 176.4521 116 G 3.8850 8.8247 108.8648 45.6264 0.0000 173.4936 117 I 3.8124 7.9473 122.0233 60.0492 37.5555 174.0549 118 P 4.6071 0.0000 0.0000 62.9694 31.4237 177.0816 119 D 4.3633 8.7860 120.7995 56.8605 40.9730 177.7565 120 A 4.0282 7.9537 121.2177 54.3385 18.6198 177.3486 121 I 4.1310 7.6914 117.4752 59.2499 37.6256 174.1637 122 P 4.3272 0.0000 0.0000 62.1314 31.8853 175.5774 123 P 4.2977 0.0000 0.0000 65.7831 31.2112 178.4340 124 E 4.2678 8.3249 115.8269 59.6734 29.3441 178.8385 125 N 4.4816 8.3797 117.1974 55.9952 38.5337 177.2178 126 C 4.2253 8.1059 118.6507 62.8493 28.1163 175.6565 127 Y 4.2704 7.9497 117.9680 61.0857 37.4921 178.0836 128 L 4.2163 8.4397 120.2086 57.6699 41.7358 179.8891 129 G 3.5137 8.4110 105.7518 47.7885 0.0000 175.9530 130 W 4.3154 8.4983 122.0553 59.3292 29.0520 178.7331 131 Q 4.1851 8.7977 118.6515 59.0851 28.1845 178.8674 132 Q 4.0705 8.0551 118.9613 59.1972 28.7299 178.9563 133 S 4.4473 8.2973 116.1872 61.5624 62.8408 176.7510 134 L 4.0963 8.6830 122.2789 57.4440 41.2440 179.3931 135 K 4.0026 8.0675 119.4397 59.6210 32.1441 178.9994 136 Q 4.0719 8.0419 117.9838 58.5806 28.5317 178.3370 137 L 3.4544 8.1674 121.5103 57.8943 41.9534 178.8014 138 A 3.8621 7.8799 120.4387 55.2663 18.0937 179.5010 139 A 3.9042 7.5748 117.7042 54.9250 18.4275 179.4141 140 L 4.0368 7.3889 117.8851 58.2132 42.3893 178.7583 141 V 3.8529 7.6559 116.5035 65.1548 31.6474 177.4829 142 E 4.3084 8.0690 119.4609 57.3499 29.6508 176.0872 143 P 4.2441 0.0000 0.0000 63.6917 32.1198 175.8895 144 D 4.7740 8.6075 119.2847 55.0579 40.7236 173.9328 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 P 0.00 4.69 0.00 1.96 1.98 0.00 3.59 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.10 0.00 3 N 9.02 4.97 0.00 2.79 2.58 0.00 0.00 7.38 6.34 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 4 T 8.35 5.23 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 1.18 0.00 0.00 5 I 8.66 4.89 1.06 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.58 0.47 0.00 0.00 6 R 8.61 5.12 0.00 1.68 1.82 0.00 3.12 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 1.52 1.57 0.00 7 L 8.85 5.03 0.00 1.35 1.49 0.33 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.63 5.39 0.00 3.09 3.11 0.00 5.75 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.92 4.57 0.00 1.71 1.70 0.00 3.20 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 10 V 8.23 4.64 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 0.79 0.00 0.00 0.93 0.00 0.00 11 L 8.83 4.89 0.00 1.56 1.47 0.88 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 12 S 9.10 4.86 0.00 3.86 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 13 A 7.11 4.72 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 14 P 0.00 4.52 0.00 2.24 2.19 0.00 3.74 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 15 P 0.00 4.21 0.00 2.16 2.28 0.00 3.60 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 16 E 8.19 3.98 0.00 2.06 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 2.38 2.48 0.00 17 R 8.09 3.94 0.00 1.96 2.04 0.00 3.28 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 18 V 7.77 3.61 2.31 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 1.02 0.00 0.00 1.00 0.00 0.00 19 Y 8.49 4.34 0.00 3.21 3.23 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 20 R 8.38 3.90 0.00 2.26 2.16 0.00 3.21 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 1.68 1.72 0.00 21 A 7.99 4.20 1.23 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 22 F 8.14 4.58 0.00 3.24 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 23 L 7.56 4.45 0.00 1.46 1.52 0.34 0.62 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 24 D 8.54 4.42 0.00 2.69 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.19 0.00 2.17 2.07 0.00 3.67 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 1.95 1.62 0.00 26 L 8.40 3.98 0.00 1.79 1.76 0.92 0.68 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 27 A 8.07 3.97 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.26 3.27 0.00 1.70 1.50 0.90 0.63 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 29 A 7.81 4.01 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 30 K 7.24 4.15 0.00 1.77 2.03 0.00 1.81 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.44 7.81 31 W 8.00 4.62 0.00 3.48 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 32 L 6.61 3.00 0.00 1.14 1.47 0.82 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 2.97 0.00 1.92 1.25 0.00 3.50 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.88 0.00 34 P 0.00 4.43 0.00 2.34 2.26 0.00 2.74 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 35 E 8.35 4.09 0.00 2.25 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 2.37 2.30 0.00 36 G 9.10 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 37 F 7.92 5.33 0.00 2.87 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.81 4.60 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 0.73 0.00 0.00 1.18 0.00 0.00 39 C 8.53 5.53 0.00 3.02 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 40 K 8.82 4.55 0.00 1.82 1.68 0.00 1.86 0.00 0.00 1.88 0.00 0.00 2.73 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.35 7.81 41 V 8.45 3.98 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 0.93 0.00 0.00 42 L 8.74 4.29 0.00 1.69 1.63 0.98 0.67 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 43 E 7.70 4.73 0.00 1.96 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 44 H 7.90 4.95 0.00 3.17 3.31 0.00 5.77 0.00 0.00 0.00 0.00 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.78 4.61 0.00 2.73 2.87 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 46 A 7.98 4.07 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.38 4.69 0.00 1.90 1.82 0.00 3.17 0.00 0.00 3.70 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 48 V 8.36 3.87 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 0.92 0.00 0.00 0.99 0.00 0.00 49 G 9.77 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 0.00 0.00 0.00 50 G 8.65 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 0.00 0.00 0.00 51 A 8.49 5.33 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 52 Y 7.86 5.11 0.00 2.97 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 53 K 9.14 4.50 0.00 1.54 1.46 0.00 1.54 0.00 0.00 1.67 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.13 1.07 7.81 *55 E 8.61 4.57 0.00 2.18 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 2.33 2.40 0.00 56 F 9.50 5.92 0.00 3.05 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 57 L 9.07 5.45 0.00 1.73 1.60 1.05 0.56 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 58 A 9.13 3.54 0.94 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 59 F 8.98 3.90 0.00 2.93 3.07 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 60 A 8.20 4.02 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 61 S 7.97 4.35 0.00 3.93 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 62 G 8.37 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 63 Q 7.77 3.96 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 64 K 8.63 5.22 0.00 1.67 1.75 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.63 7.81 65 H 9.45 4.99 0.00 3.22 3.32 0.00 5.58 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 66 A 8.89 5.19 1.23 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 67 F 6.88 4.94 0.00 2.88 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 0.00 68 G 7.80 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 5.38 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 8.00 5.08 0.00 1.70 1.79 0.00 3.09 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.48 0.00 71 Y 8.64 4.88 0.00 3.24 2.94 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 72 L 9.42 4.37 0.00 1.54 1.75 0.95 0.95 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 73 E 8.14 4.77 0.00 1.92 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 2.33 2.37 0.00 74 L 8.58 5.15 0.00 1.53 1.67 0.75 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 75 V 8.98 4.09 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 0.94 0.00 0.00 76 P 0.00 2.97 0.00 1.86 1.77 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.03 0.00 77 G 6.38 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 0.00 0.00 0.00 78 E 8.43 4.76 0.00 1.89 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 2.16 1.98 0.00 79 R 7.77 5.23 0.00 1.89 1.72 0.00 3.28 0.00 0.00 3.54 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 80 I 8.91 5.19 1.82 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.97 1.18 0.00 0.00 81 R 9.11 5.15 0.00 1.85 1.76 0.00 3.12 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.48 0.00 82 Y 8.19 5.48 0.00 3.12 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 9.05 4.80 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 84 D 8.30 5.23 0.00 2.92 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 85 R 8.61 4.71 0.00 2.05 1.65 0.00 3.15 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 1.54 1.64 0.00 86 F 8.91 5.24 0.00 3.01 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.76 4.83 0.00 2.73 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 88 D 8.19 4.50 0.00 2.65 2.47 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 89 A 8.51 4.30 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 90 G 8.24 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 0.00 0.00 0.00 91 L 8.35 4.05 0.00 1.77 1.55 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 3.71 0.00 2.12 2.13 0.00 3.84 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 2.02 2.15 0.00 93 G 8.75 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 0.00 0.00 0.00 94 D 8.02 5.13 0.00 2.68 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 *96 I 8.05 4.16 1.98 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 1.38 0.50 0.84 0.00 0.00 97 T 8.28 4.83 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 98 T 9.11 4.84 4.14 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 1.15 0.00 0.00 99 I 9.18 4.82 1.66 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.54 0.28 0.00 0.00 100 T 8.76 5.01 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 1.17 0.00 0.00 101 L 9.36 5.42 0.00 1.69 1.58 1.09 0.77 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 0.00 102 A 8.57 4.84 1.19 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 0.00 103 P 0.00 4.92 0.00 2.08 2.05 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 104 L 8.59 4.84 0.00 1.69 1.53 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.78 4.14 0.00 3.97 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 C 8.25 4.36 0.00 3.12 3.22 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 0.00 107 G 7.56 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 5.80 5.06 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 0.00 109 D 9.17 5.04 0.00 2.72 2.54 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 0.00 110 L 9.04 5.23 0.00 1.74 1.63 0.92 0.90 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 0.00 111 S 8.88 5.24 0.00 3.76 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 0.00 112 I 8.88 4.86 1.47 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.75 0.30 0.00 0.00 113 V 8.56 4.55 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 0.88 0.00 0.00 0.86 0.00 0.00 114 Q 8.96 4.83 0.00 1.99 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.50 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 115 E 8.56 4.95 0.00 1.95 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 2.19 2.11 0.00 116 G 8.82 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 0.00 117 I 7.95 3.81 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 1.50 1.00 0.96 0.00 0.00 118 P 0.00 4.61 0.00 2.24 2.39 0.00 3.80 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 119 D 8.79 4.36 0.00 2.70 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 0.00 120 A 7.95 4.03 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 0.00 121 I 7.69 4.13 1.97 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.90 0.91 0.00 0.00 122 P 0.00 4.33 0.00 2.20 2.02 0.00 3.62 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 123 P 0.00 4.30 0.00 2.26 2.17 0.00 3.65 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 124 E 8.32 4.27 0.00 2.29 2.31 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 2.43 2.47 0.00 125 N 8.38 4.48 0.00 2.93 2.93 0.00 0.00 6.94 7.77 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 0.00 126 C 8.11 4.23 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.95 4.27 0.00 3.26 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 0.00 128 L 8.44 4.22 0.00 1.93 1.79 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 129 G 8.41 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 W 8.50 4.32 0.00 3.61 3.32 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 0.00 131 Q 8.80 4.19 0.00 2.40 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.51 2.73 0.00 132 Q 8.06 4.07 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 133 S 8.30 4.45 0.00 4.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.68 4.10 0.00 1.86 1.81 1.09 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 135 K 8.07 4.00 0.00 1.99 2.04 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.50 7.81 136 Q 8.04 4.07 0.00 2.60 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.66 0.00 137 L 8.17 3.45 0.00 0.59 1.45 -0.52 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.88 3.86 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 0.00 139 A 7.57 3.90 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 0.00 140 L 7.39 4.04 0.00 1.65 1.80 0.94 1.37 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 0.00 141 V 7.66 3.85 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 0.87 0.00 0.00 0.80 0.00 0.00 142 E 8.07 4.31 0.00 2.07 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 2.42 2.25 0.00 143 P 0.00 4.24 0.00 2.03 1.99 0.00 3.84 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 144 D 8.61 4.77 0.00 2.83 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 * Residues marked with a * may have inaccurate shift predictions.