NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5300 8.3049 120.3278 55.3734 33.4391 174.4940 2 L 4.5722 7.9507 119.6122 52.4395 46.0348 174.9108 3 K 4.0616 8.3433 121.6271 57.8174 33.5071 178.5642 4 T 3.5498 8.5764 110.1563 61.9667 68.4866 171.6783 5 I 4.4185 7.0943 122.4616 58.9202 39.4793 175.4135 6 S 4.1167 8.6209 119.4395 58.0648 62.4623 173.0713 7 P 4.5282 0.0000 0.0000 64.4505 31.3355 177.3206 8 L 4.0706 7.4909 119.2757 57.0271 41.7531 177.0957 9 I 4.1323 7.3811 120.1493 60.0907 37.5376 176.6686 10 S 4.3902 8.4715 120.8743 57.4855 65.1117 173.1799 11 P 4.2552 0.0000 0.0000 65.9733 31.0222 178.6376 12 E 3.9736 8.1071 117.5583 59.1283 29.6322 178.4681 13 L 3.9645 7.8917 120.5018 57.8796 42.1598 178.5544 14 L 3.9759 8.3522 120.8552 58.0175 41.9748 178.9288 15 K 3.9346 8.1848 119.4420 59.4823 32.1965 178.8517 16 V 3.7471 8.0132 118.5636 66.2044 31.2699 177.9384 17 L 4.0356 8.1814 117.4685 57.8581 41.5333 179.1614 18 A 4.1344 7.9080 119.7990 55.0648 18.3728 179.2150 19 E 4.0697 8.1359 116.3333 58.2691 30.0274 177.7957 20 M 3.6494 7.1151 118.4317 55.1175 32.6860 175.6156 21 G 4.1228 8.8898 111.0917 43.1752 0.0000 171.2827 22 H 4.4803 8.5618 118.7048 58.1651 29.7316 174.9686 23 G 3.9759 9.0978 116.4294 45.2461 0.0000 173.4749 24 D 4.6591 7.9756 119.6020 54.5138 42.2007 175.3017 25 E 5.2989 8.8738 120.3620 54.6247 33.1118 174.6994 26 I 4.9590 8.9737 123.8201 59.2013 41.7759 173.8378 27 I 4.8754 8.0968 128.3210 59.5417 40.2352 174.6129 28 F 4.9825 9.2055 126.2524 55.9042 40.6749 175.2529 29 S 4.9666 8.7711 119.8073 56.7522 65.8425 173.4938 30 D 5.1271 8.8279 120.7600 52.2841 40.7212 177.3088 31 A 4.1520 8.9578 121.9366 54.8963 18.2826 178.2580 32 H 4.6964 7.8763 111.2208 56.0275 29.4421 175.5752 33 F 4.3253 8.0066 122.8978 57.5207 40.2564 174.0022 34 P 4.4067 0.0000 0.0000 61.5974 30.6342 177.1435 35 A 4.1147 8.1282 124.8042 56.8045 18.6528 179.9674 36 H 4.4216 8.0626 109.6634 57.9026 28.8994 176.4629 37 S 4.5028 7.6746 114.5235 59.6225 63.5405 175.6009 38 M 4.1127 7.6978 120.2022 59.1896 31.9741 175.9720 39 G 3.6313 8.5017 109.2612 45.3608 0.0000 172.3672 40 P 4.5903 0.0000 0.0000 61.4656 32.4170 176.2364 41 Q 4.1765 8.5120 119.0236 56.5064 29.8275 175.1628 42 V 4.8628 8.3164 120.6964 61.2313 34.4579 174.4454 43 I 4.5226 8.6485 128.4938 59.4598 39.5701 175.1075 44 R 4.5022 8.6983 126.4902 55.2927 31.2684 176.7506 45 A 4.7684 9.0069 127.3860 51.0554 19.6044 175.8798 46 D 4.5481 8.2098 119.9526 57.2125 41.5404 177.7897 47 G 4.0344 8.9765 111.1019 45.2241 0.0000 173.4350 48 L 4.5740 7.4580 119.4002 53.2145 43.5293 176.0938 49 L 4.5706 8.8743 122.3992 53.9782 42.9740 178.3660 50 V 3.4831 8.9005 121.9257 66.3174 31.4676 178.7640 51 S 3.8959 8.0270 113.2560 61.4831 62.5487 176.1917 52 D 4.2595 7.7739 121.9428 57.1366 40.5224 178.6840 53 L 3.8114 7.5974 118.8533 57.7527 41.6456 179.1077 54 L 3.4494 7.4113 118.8730 57.9324 41.2778 179.5884 55 Q 4.0912 7.8591 119.0485 58.5925 29.0768 177.7632 56 A 4.0922 7.5864 120.8925 54.9225 18.6404 179.2539 57 I 3.9157 8.3265 118.6873 64.0802 37.3443 178.0077 58 I 3.7113 7.9029 119.9796 63.7606 37.4290 175.8501 59 P 4.2962 0.0000 0.0000 64.7575 31.3438 176.7526 60 L 4.3996 8.0260 117.1707 54.6389 43.1117 175.9226 61 F 4.5067 7.5903 120.4936 56.2336 39.6702 174.4148 62 E 4.2612 8.0843 130.0359 55.7465 30.7139 175.4413 63 L 4.8624 8.4255 126.5770 53.8473 43.0650 176.1694 64 D 4.6594 8.8635 123.2309 54.7833 41.4728 176.2758 65 S 4.7209 9.1374 118.1204 58.4511 64.1040 174.0871 66 Y 4.2612 9.0543 118.4767 59.0411 38.2949 174.9754 67 A 4.6189 7.6574 120.5949 49.7866 22.0188 173.9533 68 P 4.2644 0.0000 0.0000 63.2412 31.4419 174.5849 69 P 4.7345 0.0000 0.0000 63.3138 33.1807 175.1299 70 L 5.3830 7.8605 120.8776 53.1404 45.6598 175.4198 71 V 5.0677 9.0255 123.3510 61.4969 35.0939 174.1290 72 M 5.4576 9.7279 126.4876 53.8195 36.9797 173.4862 73 M 4.8157 8.3096 119.3575 54.4654 33.2160 175.5720 74 A 4.1867 8.6731 128.5213 51.2896 19.3327 177.3586 75 A 2.5800 7.9885 123.4697 51.0750 19.3018 177.9531 76 V 3.6216 8.2591 120.6784 62.5226 32.1472 175.3205 77 E 3.9311 8.7006 126.5493 58.1915 29.6928 177.1972 78 G 3.9375 9.0158 113.8269 45.2312 0.0000 172.4994 79 D 4.8417 7.8988 118.9274 52.7615 43.1353 174.8228 80 T 4.6426 7.8252 109.8129 59.5804 71.7524 173.5555 81 L 4.2284 8.1162 122.3069 54.1850 42.8810 176.3871 82 D 4.6553 8.3050 120.2172 52.1963 41.0711 174.9502 83 P 4.1833 0.0000 0.0000 66.2221 30.7171 177.9667 84 E 3.9770 8.2907 117.7740 58.9487 29.3107 178.9121 85 V 3.2832 7.7908 118.6897 66.0974 31.5545 177.7923 86 E 3.7229 7.7758 118.3121 58.9616 29.5143 178.6311 87 R 3.8546 7.7896 118.5391 59.3260 30.1648 178.4786 88 R 3.9377 8.1989 118.7162 59.5894 30.0530 178.1763 89 Y 4.1910 8.2109 116.5841 61.3362 37.9145 178.5678 90 R 3.9885 8.7415 119.2789 59.3470 30.0450 179.0199 91 N 4.3067 8.3110 116.0623 56.2828 38.1557 177.2047 92 A 3.9902 8.1308 122.1632 55.1202 18.2318 178.9992 93 L 4.1074 7.9668 114.6818 54.5026 42.6168 176.7256 94 S 3.8079 8.1762 114.3183 59.8000 60.4021 171.3983 95 L 4.7109 8.3284 119.0774 52.5436 44.6510 175.9585 *98 P 4.3992 0.0000 0.0000 63.0694 32.0337 174.6302 99 C 4.6275 8.3500 122.9061 59.0941 30.4348 171.1551 100 P 4.5575 0.0000 0.0000 62.8095 32.1056 174.8033 101 D 4.6218 8.2714 118.8452 53.5366 42.3480 175.1063 102 I 4.6008 7.9262 122.2188 59.5226 38.4055 176.1057 103 I 4.0787 8.5579 128.9434 61.1984 38.5032 175.4331 104 R 5.3199 8.5988 124.4284 54.4468 32.4627 175.0087 105 I 4.7843 8.7492 118.0512 58.3894 41.0588 175.2168 106 N 4.6159 8.8951 120.8775 53.1488 38.1876 175.8277 107 R 3.4286 8.5691 120.5460 59.9019 30.1383 178.6623 108 F 4.3808 8.0878 116.5526 60.2406 39.2035 177.6171 109 A 4.0959 9.3008 121.1228 54.9767 18.1430 179.4667 110 F 3.9350 8.7888 119.7179 61.6257 39.5134 176.9983 111 Y 4.6610 7.8453 116.1198 61.2371 37.4597 178.2683 112 E 4.0690 8.4384 118.6633 59.7510 29.8383 179.3412 113 R 4.0099 8.0192 117.7654 59.0336 29.9714 178.2138 114 A 4.0857 8.0627 120.4988 54.7033 18.1621 179.4738 115 Q 4.2156 7.9680 115.6261 58.0145 28.7682 177.1997 116 K 4.3936 7.4095 117.0246 55.8415 32.4962 176.3176 117 A 4.3410 7.3254 122.6890 51.6227 19.0346 178.0890 118 F 4.2366 9.1089 122.8203 61.3241 40.2045 175.1134 119 A 4.6727 7.6293 117.0553 51.3083 22.6765 175.1543 120 I 4.7785 8.5542 119.8569 59.4857 41.0385 174.9548 121 V 4.5655 8.7211 127.7074 61.1464 33.3171 174.2553 122 I 4.7134 8.5603 130.0907 59.8796 39.0254 175.4092 123 T 4.4547 8.4766 121.6289 60.4876 71.3457 175.0297 124 G 4.0605 8.7259 109.4529 46.1837 0.0000 173.8176 125 E 4.1162 8.2321 123.0325 56.4117 29.6425 177.4843 126 R 4.3518 8.4850 124.2245 56.0709 31.0786 176.6380 127 A 4.1219 7.2222 122.4472 51.3399 18.9159 177.5324 128 K 3.7664 8.5096 123.4957 57.8672 33.0328 176.0296 129 Y 3.5505 7.6716 121.2310 59.2753 35.2388 171.1447 130 G 4.0397 8.1362 105.0841 45.6283 0.0000 173.9318 131 N 4.7126 7.7652 117.7332 53.1582 39.3234 174.4682 132 I 4.9788 8.6874 122.4904 59.4848 42.2117 173.0475 133 L 5.1918 9.5257 131.3434 53.3543 44.4325 174.7692 134 L 5.3073 9.2332 126.0938 52.8420 44.9859 175.1184 135 K 5.0845 8.7872 124.1538 54.3874 34.6478 175.2060 136 K 3.9336 9.1983 129.6085 56.4321 33.1494 176.2342 137 G 4.2455 8.1968 115.3665 45.7612 0.0000 173.2131 138 V 4.0456 8.0740 124.1213 61.0042 32.1610 176.5354 139 T 3.8105 8.3398 125.0937 63.0258 68.5562 172.5898 140 P 4.3945 0.0000 0.0000 62.9845 31.3434 176.1729 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 M 8.30 4.53 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.57 0.00 2 L 7.95 4.57 0.00 1.66 1.51 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.34 4.06 0.00 1.82 1.73 0.00 1.77 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.43 7.81 4 T 8.58 3.55 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 5 I 7.09 4.42 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 1.19 0.65 0.92 0.00 0.00 6 S 8.62 4.12 0.00 3.84 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 7 P 0.00 4.53 0.00 2.22 2.16 0.00 3.81 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 1.98 1.98 0.00 8 L 7.49 4.07 0.00 1.58 1.76 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.38 4.13 1.89 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 1.36 0.49 0.95 0.00 0.00 10 S 8.47 4.39 0.00 4.06 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 11 P 0.00 4.26 0.00 2.19 2.17 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 12 E 8.11 3.97 0.00 2.09 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 2.39 2.45 0.00 13 L 7.89 3.96 0.00 1.85 1.85 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.35 3.98 0.00 1.94 1.84 0.95 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.18 3.93 0.00 1.91 2.15 0.00 1.72 0.00 0.00 1.88 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.49 7.81 16 V 8.01 3.75 2.29 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 1.16 0.00 0.00 1.12 0.00 0.00 17 L 8.18 4.04 0.00 1.82 1.89 1.00 0.74 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 18 A 7.91 4.13 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 19 E 8.14 4.07 0.00 2.17 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 0.00 2.41 2.73 0.00 20 M 7.12 3.65 0.00 1.79 2.00 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.19 0.00 21 G 8.89 4.12 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 0.00 22 H 8.56 4.48 0.00 2.94 3.11 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 9.10 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 0.00 0.00 0.00 24 D 7.98 4.66 0.00 2.69 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 25 E 8.87 5.30 0.00 1.91 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 2.32 2.45 0.00 26 I 8.97 4.96 1.82 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 1.05 0.81 0.00 0.00 27 I 8.10 4.88 1.78 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.54 0.81 0.00 0.00 28 F 9.21 4.98 0.00 2.88 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 29 S 8.77 4.97 0.00 3.71 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 30 D 8.83 5.13 0.00 3.05 2.88 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 31 A 8.96 4.15 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 32 H 7.88 4.70 0.00 3.30 3.34 0.00 5.68 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.01 4.33 0.00 3.25 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.41 0.00 1.88 1.93 0.00 2.89 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 1.07 1.21 0.00 35 A 8.13 4.11 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 36 H 8.06 4.42 0.00 3.15 3.34 0.00 5.69 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.67 4.50 0.00 3.89 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 38 M 7.70 4.11 0.00 2.04 2.27 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.73 0.00 39 G 8.50 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 40 P 0.00 4.59 0.00 1.95 2.15 0.00 3.72 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.20 0.00 41 Q 8.51 4.18 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 42 V 8.32 4.86 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 0.78 0.00 0.00 0.94 0.00 0.00 43 I 8.65 4.52 1.83 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 1.24 1.02 0.92 0.00 0.00 44 R 8.70 4.50 0.00 1.72 2.07 0.00 3.36 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 45 A 9.01 4.77 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 46 D 8.21 4.55 0.00 2.69 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.98 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 48 L 7.46 4.57 0.00 1.97 1.58 0.93 0.40 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 49 L 8.87 4.57 0.00 1.94 1.68 0.98 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.90 3.48 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 0.24 0.00 0.00 1.01 0.00 0.00 51 S 8.03 3.90 0.00 4.08 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 0.00 52 D 7.77 4.26 0.00 2.83 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 53 L 7.60 3.81 0.00 1.49 1.23 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.41 3.45 0.00 1.61 1.49 0.14 0.35 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 55 Q 7.86 4.09 0.00 2.06 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.33 2.20 0.00 56 A 7.59 4.09 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 57 I 8.33 3.92 1.79 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.46 0.69 0.00 0.00 58 I 7.90 3.71 1.97 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 1.75 1.24 0.98 0.00 0.00 59 P 0.00 4.30 0.00 2.27 2.17 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 60 L 8.03 4.40 0.00 1.73 1.79 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 61 F 7.59 4.51 0.00 3.15 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 62 E 8.08 4.26 0.00 2.03 1.59 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 2.50 2.33 0.00 63 L 8.43 4.86 0.00 1.62 1.65 0.99 1.29 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 64 D 8.86 4.66 0.00 2.92 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 9.14 4.72 0.00 3.94 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 9.05 4.26 0.00 3.09 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 67 A 7.66 4.62 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.26 0.00 2.22 2.14 0.00 3.79 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 69 P 0.00 4.73 0.00 2.22 2.66 0.00 3.68 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 2.09 2.04 0.00 70 L 7.86 5.38 0.00 1.62 1.63 0.97 0.83 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 71 V 9.03 5.07 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 0.97 0.00 0.00 72 M 9.73 5.46 0.00 1.91 1.96 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.77 0.00 73 M 8.31 4.82 0.00 1.93 1.31 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 74 A 8.67 4.19 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.99 2.58 0.76 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 76 V 8.26 3.62 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 1.08 0.00 0.00 77 E 8.70 3.93 0.00 1.95 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 2.32 2.42 0.00 78 G 9.02 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.90 4.84 0.00 2.64 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 T 7.83 4.64 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 1.19 0.00 0.00 81 L 8.12 4.23 0.00 1.58 1.57 0.80 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.30 4.66 0.00 2.75 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.18 0.00 2.27 2.29 0.00 3.73 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 84 E 8.29 3.98 0.00 2.29 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 2.38 2.29 0.00 85 V 7.79 3.28 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 0.22 0.00 0.00 0.85 0.00 0.00 86 E 7.78 3.72 0.00 1.95 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 0.00 2.36 2.37 0.00 87 R 7.79 3.85 0.00 2.02 2.14 0.00 3.15 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 88 R 8.20 3.94 0.00 2.00 2.21 0.00 3.21 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.75 0.00 89 Y 8.21 4.19 0.00 3.15 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 90 R 8.74 3.99 0.00 2.04 2.01 0.00 3.13 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 91 N 8.31 4.31 0.00 2.93 2.87 0.00 0.00 6.85 8.08 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 92 A 8.13 3.99 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 93 L 7.97 4.11 0.00 1.64 1.72 0.96 0.69 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 94 S 8.18 3.81 0.00 4.00 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 95 L 8.33 4.71 0.00 1.69 1.57 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 *98 P 0.00 4.40 0.00 2.06 1.88 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.11 0.00 99 C 8.35 4.63 0.00 2.96 2.91 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 0.00 100 P 0.00 4.56 0.00 2.20 2.07 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 101 D 8.27 4.62 0.00 2.65 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 0.00 102 I 7.93 4.60 1.90 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 1.40 0.78 0.97 0.00 0.00 103 I 8.56 4.08 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.96 0.95 0.00 0.00 104 R 8.60 5.32 0.00 1.64 1.79 0.00 3.24 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 105 I 8.75 4.78 1.95 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.96 0.00 0.00 106 N 8.90 4.62 0.00 3.01 3.04 0.00 0.00 5.67 7.66 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 0.00 107 R 8.57 3.43 0.00 1.71 1.63 0.00 3.01 0.00 0.00 2.75 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.37 0.00 108 F 8.09 4.38 0.00 3.33 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 A 9.30 4.10 1.45 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 0.00 110 F 8.79 3.94 0.00 3.18 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 0.00 111 Y 7.85 4.66 0.00 3.46 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 0.00 112 E 8.44 4.07 0.00 2.22 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 2.75 2.57 0.00 113 R 8.02 4.01 0.00 1.85 1.85 0.00 3.04 0.00 0.00 3.03 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 114 A 8.06 4.09 1.70 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 0.00 0.00 115 Q 7.97 4.22 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.97 0.00 0.00 0.00 0.00 0.00 2.44 2.80 0.00 116 K 7.41 4.39 0.00 1.68 1.82 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.51 7.81 117 A 7.33 4.34 1.30 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 0.00 0.00 0.00 118 F 9.11 4.24 0.00 3.09 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 7.63 4.67 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 0.00 120 I 8.55 4.78 1.90 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.80 1.00 0.00 0.00 121 V 8.72 4.57 1.61 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 1.05 0.00 0.00 0.51 0.00 0.00 122 I 8.56 4.71 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 0.94 2.56 0.91 0.00 0.00 123 T 8.48 4.45 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 1.35 0.00 0.00 124 G 8.73 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 0.00 125 E 8.23 4.12 0.00 2.13 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 2.47 2.40 0.00 126 R 8.48 4.35 0.00 1.85 1.98 0.00 3.39 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.56 0.00 127 A 7.22 4.12 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 0.00 128 K 8.51 3.77 0.00 1.68 1.70 0.00 1.90 0.00 0.00 1.76 0.00 0.00 2.73 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.83 1.27 7.81 129 Y 7.67 3.55 0.00 3.08 2.88 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 0.00 130 G 8.14 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 N 7.77 4.71 0.00 2.01 2.30 0.00 0.00 6.71 7.45 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 0.00 132 I 8.69 4.98 2.09 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.96 0.92 0.00 0.00 133 L 9.53 5.19 0.00 1.67 1.65 0.73 0.56 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 0.00 134 L 9.23 5.31 0.00 1.60 1.62 0.97 0.42 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 0.00 135 K 8.79 5.08 0.00 1.90 1.72 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.49 7.81 136 K 9.20 3.93 0.00 1.73 1.67 0.00 1.38 0.00 0.00 1.51 0.00 0.00 2.61 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.00 0.21 7.81 137 G 8.20 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 V 8.07 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 0.78 0.00 0.00 0.53 0.00 0.00 139 T 8.34 3.81 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 140 P 0.00 4.39 0.00 2.16 2.02 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.05 0.00 * Residues marked with a * may have inaccurate shift predictions.