NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.4854 8.1548 117.2245 56.2347 31.1791 174.3861 2 S 4.5761 8.5851 116.4344 56.3585 67.2706 171.5258 3 I 4.6033 9.2826 126.2477 59.8055 40.1134 173.7314 4 Y 4.9779 9.4558 126.0813 56.4174 39.9403 174.7600 5 L 5.3568 9.1004 125.0197 53.0832 44.8264 175.4722 6 C 5.1058 8.8634 116.9132 57.2806 33.4924 172.8197 7 R 5.1399 8.2576 115.8960 53.9210 31.8367 174.9070 8 H 4.1279 8.3961 115.8627 55.2864 29.0625 175.1190 9 G 3.8159 8.8131 106.8308 45.8704 0.0000 172.5432 10 E 4.2347 9.0851 120.8604 56.9089 30.6956 177.4297 11 S 4.9867 9.7909 122.0694 57.1972 64.6440 175.0777 12 E 4.0018 8.8271 119.8484 59.5858 28.8920 179.7966 13 L 4.0516 7.9263 118.6691 57.5386 41.6923 179.2927 14 N 4.3515 8.0151 116.5854 56.2775 38.2892 177.1498 15 L 4.0311 7.7088 120.1294 57.6160 42.2430 178.2634 16 R 4.4234 7.5315 115.1459 55.3117 30.5753 176.6521 17 G 3.9090 7.9330 107.1273 46.4929 0.0000 173.2126 18 R 4.5739 8.1117 118.1532 53.8250 32.4004 176.4085 19 I 4.1506 7.9848 114.9536 59.5716 39.8996 175.9446 20 G 3.7104 9.5334 108.0123 47.9732 0.0000 171.9216 21 G 3.8197 10.0660 107.8515 45.0558 0.0000 172.3973 22 D 4.6586 7.8681 115.3462 52.8769 41.0488 175.0979 23 S 4.4682 8.0015 113.5576 58.1400 65.3038 173.7396 24 G 4.2204 8.1185 107.0561 43.3463 0.0000 172.7788 25 L 4.7937 8.5747 119.6026 55.1009 42.4179 177.8912 26 S 4.5361 9.0369 117.7957 57.1751 65.3850 174.7130 27 A 4.0158 8.9483 121.1679 55.8256 17.7731 179.7409 28 R 4.2739 8.0196 112.4037 58.0985 29.9277 178.7668 29 G 3.6694 8.2115 107.6521 47.7948 0.0000 176.0502 30 K 3.8296 7.9344 120.4593 59.2809 32.1153 179.4874 31 Q 4.1978 8.0224 117.5876 58.6740 28.5177 177.9207 32 Y 4.0048 7.6347 120.8372 60.0330 38.8030 176.9998 33 A 3.7532 7.6777 121.6101 55.2822 18.4137 179.3336 34 Y 4.2138 7.7651 114.8412 61.3981 38.1001 178.4932 35 A 4.0267 7.9082 121.4743 54.9332 18.2921 179.4693 36 L 3.7296 7.8698 119.3441 58.0907 42.0597 178.9955 37 A 4.0057 7.6828 120.5531 55.0884 18.2674 179.4453 38 N 4.2674 8.0521 115.0617 56.3271 38.4102 177.4684 39 F 4.0687 8.0342 120.8808 61.2902 39.8948 176.8702 40 I 3.4574 8.0984 119.7986 64.4221 36.8197 178.6703 41 R 3.8787 8.0037 119.0740 59.0163 29.7169 178.5316 42 S 4.3967 7.6156 110.7873 59.4570 63.3533 175.3822 43 Q 4.0400 7.5946 121.4768 55.4753 30.0724 175.5633 44 G 3.8969 7.2410 107.7133 46.2811 0.0000 172.8524 45 I 4.2368 7.1102 117.7092 59.6863 39.0994 176.3687 46 S 4.1758 8.6373 120.3241 59.1896 63.9609 174.6523 47 S 3.5915 8.6946 122.9156 59.2224 60.1220 172.5824 48 L 4.2515 7.5041 120.7902 55.1092 42.9779 177.2444 49 K 4.4785 8.7766 126.3429 55.7740 34.1078 176.1072 50 V 4.8744 8.4792 122.7204 61.1711 34.4671 174.1228 51 W 5.8214 9.2101 128.1274 55.8918 32.0185 175.3557 52 T 5.4011 9.5226 118.3128 61.6198 73.1624 173.8920 53 S 4.9099 8.5015 118.3293 57.3145 65.4081 174.2907 54 H 4.6848 8.6445 117.2938 54.8689 27.1566 175.3485 *56 K 4.4068 7.7335 123.5067 56.3441 34.1721 178.9621 57 R 4.0297 7.9551 115.1508 59.7575 28.8440 178.8082 58 T 3.9412 7.8050 115.8818 66.3772 68.7346 176.7320 59 I 3.3687 7.6338 114.4699 64.1229 37.3391 177.8531 60 Q 3.9713 8.4483 120.3651 59.0059 28.2160 178.9947 61 T 3.8777 7.6509 113.2002 64.9799 67.2985 176.2759 62 A 3.8760 7.8418 122.8521 54.9512 18.0284 179.1364 63 E 4.0397 8.2383 116.6772 59.6364 29.6381 178.6917 64 A 4.4304 7.4177 117.3415 52.7772 18.8412 178.1617 65 L 4.0528 8.0118 118.5411 55.6807 42.2312 176.6857 66 G 4.2755 8.5734 105.8572 45.6574 0.0000 174.4202 67 V 3.9951 7.2215 111.0566 59.5567 32.5146 174.2009 68 P 4.4464 0.0000 0.0000 63.1224 31.9448 174.6994 69 Y 5.1799 7.2824 115.9331 55.8843 41.2063 173.3545 70 E 4.8626 9.6291 120.7580 54.5992 33.1967 174.2779 71 Q 5.2265 8.6089 122.5083 53.9622 31.4056 174.8779 72 W 4.6672 9.3972 123.9674 54.6524 31.4264 176.9985 73 K 4.0658 9.1366 125.7621 59.4788 31.9680 178.4737 74 A 4.0533 8.3113 120.1235 54.6255 18.2844 177.6390 75 L 4.5220 7.6434 114.0017 54.5730 42.0307 176.8543 76 N 4.5390 8.2407 117.5461 52.7491 38.9944 174.7147 77 E 4.0198 8.1557 121.9834 55.7439 30.3432 176.4295 78 I 3.7152 8.0892 123.6276 61.0701 38.5456 175.0167 79 D 4.5488 8.9888 127.2298 53.7811 41.4539 176.1570 80 A 4.6854 9.2768 129.2882 51.5769 20.2556 178.5049 81 G 3.8135 7.7306 110.0071 47.1143 0.0000 178.6173 82 V 3.6933 8.2633 126.0335 63.3825 31.3613 176.3556 83 C 4.2427 7.4712 117.4488 59.2669 28.0265 173.5440 84 E 3.7803 7.4521 120.1262 58.0429 29.7465 176.2294 85 E 3.4637 8.2521 122.9380 57.2941 26.5011 173.5904 *87 T 4.4448 7.0715 113.0282 61.6055 71.8038 174.5176 88 Y 4.0115 8.2124 117.8553 60.9752 37.8176 178.4235 89 E 4.0367 8.1707 119.2986 59.4264 29.6171 179.0167 90 E 3.9742 8.0011 118.1422 59.4726 29.4652 179.3070 91 I 3.9984 7.6302 118.1833 64.0885 37.7951 177.9932 92 Q 3.7596 7.8920 118.5008 58.3687 28.4611 177.9772 93 E 3.9885 7.8569 119.6508 59.4438 29.9638 177.9773 94 H 4.3339 8.2452 114.1567 56.8962 30.3098 175.1456 95 Y 5.0960 8.3025 117.9583 54.2392 38.6884 174.4715 96 P 4.4773 0.0000 0.0000 66.0067 31.8793 178.2573 97 E 4.0660 8.2481 116.9724 59.1187 29.7515 178.7416 98 E 4.2297 8.3362 120.5141 58.7295 29.6142 178.7248 99 F 4.3686 8.9191 120.8082 61.5373 38.9280 177.0993 100 A 3.9015 7.9802 120.3594 55.1183 18.0098 179.6661 101 L 3.8977 7.6839 116.4345 57.4605 41.7215 179.5757 102 R 3.0848 6.9231 118.7472 59.2908 29.8126 178.2874 103 D 4.2529 7.0344 117.2280 57.1284 40.7309 178.6884 104 Q 4.2480 7.1504 118.2747 57.9125 30.3827 176.6160 105 D 4.6815 7.6624 122.1777 52.2702 41.7800 175.0829 106 K 4.0932 8.3407 125.0546 58.5183 32.7675 177.6582 107 Y 4.2408 8.2789 119.9324 60.4485 38.9613 177.2136 108 R 4.1131 7.9309 117.0574 57.8267 30.9531 176.6575 109 Y 4.0353 7.9971 120.0506 57.4751 39.2667 174.8588 110 R 4.1164 6.8175 124.6661 54.0554 33.3768 175.2093 111 Y 4.4195 7.7835 119.7019 56.6025 38.9138 173.2664 112 P 4.3978 0.0000 0.0000 64.0728 31.4074 177.1114 113 K 4.0103 8.8392 121.5090 57.1837 29.6100 175.3648 114 G 4.3479 7.7933 107.6294 44.7233 0.0000 172.9171 115 E 5.0217 9.0744 119.2543 54.5844 32.6666 175.9370 116 S 4.7319 8.0831 115.2825 56.0864 65.9570 174.7752 117 Y 3.7585 8.4234 117.5747 60.9808 37.3622 178.3335 118 E 3.5748 7.2408 121.5169 58.5973 29.6528 178.7236 119 D 4.2680 7.7009 118.5278 57.0871 40.9206 178.4763 120 L 3.8298 7.7076 120.7784 58.2653 41.9171 179.0192 121 V 3.6256 7.9304 117.1281 66.1362 31.6271 177.5081 122 Q 4.0869 7.8091 119.2044 59.2057 28.8596 178.3732 123 R 4.0954 7.7468 115.1159 58.2401 29.7519 177.6353 124 L 4.2339 7.6857 119.0587 55.5464 40.8778 178.1802 125 E 3.8350 7.9575 120.0671 59.0210 29.2829 177.4837 126 P 4.4628 0.0000 0.0000 65.3065 31.6822 178.2298 127 V 2.8983 6.8864 115.7109 65.3300 31.2329 178.3843 128 I 3.9163 7.5972 117.7875 61.6007 36.5944 177.5870 *130 E 4.4196 8.1467 122.5965 56.3027 31.2599 177.3649 131 L 4.1174 8.5863 119.6654 58.1851 42.4360 177.7842 132 E 4.2164 8.7754 119.1256 59.1804 30.1305 177.8538 133 R 4.4319 7.3665 114.3697 54.3215 28.1875 174.0337 134 Q 4.5838 7.3993 117.6957 55.9125 33.3538 173.3072 135 E 4.4861 8.1117 115.9636 56.9232 31.2341 175.2242 136 N 5.1409 7.7768 113.4719 51.5752 42.7330 173.2058 137 V 4.6704 8.5617 122.9876 61.0197 35.4137 173.3760 138 L 4.9180 8.9657 130.4476 53.5284 44.1541 175.0332 139 V 4.6385 9.1594 127.4946 61.3897 33.4402 174.6503 140 I 4.7123 8.6443 131.1691 59.5606 38.0101 173.7891 141 C 4.9339 9.3257 128.2579 58.1091 32.1835 174.6471 142 H 5.3056 8.7306 114.2668 53.3273 32.3498 173.7497 143 Q 3.8391 9.0056 121.0868 59.5457 29.3343 177.6215 144 A 4.2977 8.6827 120.6984 55.3765 18.7079 180.3510 145 V 3.7936 7.5110 112.6568 63.8950 31.1445 177.8042 *147 R 4.3890 8.0964 119.1409 56.0950 31.9614 177.7730 148 C 4.2910 8.0662 115.0010 62.6266 28.0157 176.2236 149 L 4.0289 8.1258 120.6033 57.7974 41.3650 179.0174 150 L 4.1028 8.1927 119.5459 58.4614 41.9626 178.7113 151 A 4.1100 8.3282 120.5747 55.2018 18.3780 179.0353 152 Y 3.8105 7.7854 118.0554 61.0180 38.7303 178.2388 153 F 4.0405 7.7740 117.2377 60.3633 39.1325 176.3361 154 L 4.3129 8.5301 118.2641 53.8474 41.7875 176.1563 155 D 4.1823 7.3013 116.8753 55.1225 39.8374 173.1770 156 K 4.5950 8.2386 117.6806 55.1202 34.4879 177.8931 157 S 4.4941 8.5655 116.9307 57.4686 65.4048 175.5643 158 S 3.6023 8.2143 117.4062 61.3307 62.3791 176.2325 159 D 4.4650 7.7194 121.4176 57.4403 41.0102 178.0020 160 E 4.1477 7.9257 118.6543 59.1343 29.3781 178.7362 161 L 3.8187 8.0288 120.4239 58.0965 41.9413 177.2955 162 P 3.5167 0.0000 0.0000 64.1167 31.2842 176.5807 163 Y 4.5946 7.7227 114.8620 57.2587 38.5297 175.8915 164 L 4.0727 7.7393 120.9926 54.2950 42.1594 176.9608 165 K 4.0873 8.5623 124.2016 57.0403 32.7580 177.2563 166 C 4.8001 8.2286 124.5419 57.7130 28.8503 171.2005 167 P 4.4383 0.0000 0.0000 62.0769 31.6403 176.1536 168 L 4.1745 8.1199 120.6816 55.7715 42.9420 175.8270 169 H 2.9382 8.3588 118.5264 56.6029 26.1627 174.0498 170 T 5.1118 7.3005 105.3608 60.0790 71.2748 173.1237 171 V 4.4115 8.9276 126.5619 61.4340 33.9018 174.5054 172 L 4.9329 9.2199 128.0027 53.0025 43.8923 175.6289 173 K 4.3149 9.2472 127.8299 55.2190 33.2288 175.1492 174 L 5.1141 8.6723 129.0381 53.2182 44.3028 176.0325 175 T 4.5577 8.5192 113.6627 58.7513 70.6253 171.0802 176 P 4.7627 0.0000 0.0000 63.1571 32.2215 176.1571 177 V 4.3113 8.3703 122.8113 59.0672 34.7409 176.4409 178 A 3.9014 8.4780 122.3400 55.5560 17.9872 178.3908 179 Y 4.4957 7.4420 110.1593 57.3802 40.3971 174.7606 180 G 4.2022 6.6820 113.8010 44.9930 0.0000 174.1968 181 C 4.8117 8.5499 116.2320 58.3800 35.1911 172.9122 182 R 4.5556 8.6325 126.9044 55.7253 31.5975 175.0562 183 V 4.9165 8.1445 122.2334 61.1889 35.1697 174.0968 184 E 4.6754 9.0414 126.8176 54.5219 33.1272 173.6730 185 S 5.1449 8.8548 121.3531 56.6258 64.6008 172.8461 186 I 4.4323 9.0652 128.7513 59.6187 39.4089 174.0821 187 Y 4.7188 8.6773 129.3390 57.1136 39.5366 175.2530 188 L 4.2539 8.3372 128.2626 52.9375 41.5669 174.7660 189 N 3.9778 7.8839 121.7926 52.8487 39.2662 175.3571 190 V 4.0463 8.0423 124.5229 62.0974 31.3889 174.4629 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 R 8.15 4.49 0.00 2.08 1.98 0.00 2.66 0.00 0.00 3.87 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.43 0.00 2 S 8.59 4.58 0.00 3.93 3.34 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 3 I 9.28 4.60 1.41 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.30 0.64 0.00 0.00 4 Y 9.46 4.98 0.00 2.87 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 5 L 9.10 5.36 0.00 1.55 1.59 1.04 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 6 C 8.86 5.11 0.00 3.23 3.09 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 0.00 0.00 0.00 7 R 8.26 5.14 0.00 1.80 1.92 0.00 2.99 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.41 0.00 8 H 8.40 4.13 0.00 3.30 3.41 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.81 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 0.00 0.00 0.00 10 E 9.09 4.23 0.00 1.99 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 0.00 2.41 2.35 0.00 11 S 9.79 4.99 0.00 4.05 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.83 4.00 0.00 2.01 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 0.00 2.50 2.50 0.00 13 L 7.93 4.05 0.00 1.76 1.88 0.91 0.51 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 14 N 8.02 4.35 0.00 3.09 2.89 0.00 0.00 6.54 6.44 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 15 L 7.71 4.03 0.00 1.84 1.88 1.02 0.80 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 16 R 7.53 4.42 0.00 1.82 1.95 0.00 3.28 0.00 0.00 3.23 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 17 G 7.93 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.11 4.57 0.00 1.74 1.84 0.00 3.14 0.00 0.00 3.53 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 19 I 7.98 4.15 1.84 0.00 0.00 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 1.18 0.59 0.66 0.00 0.00 20 G 9.53 3.71 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 0.00 0.00 0.00 21 G 10.07 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 0.00 0.00 0.00 22 D 7.87 4.66 0.00 2.57 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 23 S 8.00 4.47 0.00 3.91 3.86 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 24 G 8.12 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 0.00 0.00 0.00 25 L 8.57 4.79 0.00 1.52 1.62 1.09 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 26 S 9.04 4.54 0.00 3.89 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 27 A 8.95 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 28 R 8.02 4.27 0.00 2.13 2.25 0.00 3.06 0.00 0.00 3.39 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 29 G 8.21 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 30 K 7.93 3.83 0.00 1.95 1.60 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.58 7.81 31 Q 8.02 4.20 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.90 0.00 0.00 0.00 0.00 0.00 2.54 2.44 0.00 32 Y 7.63 4.00 0.00 2.59 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 33 A 7.68 3.75 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 34 Y 7.77 4.21 0.00 3.15 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 35 A 7.91 4.03 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 36 L 7.87 3.73 0.00 0.90 1.51 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.68 4.01 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 38 N 8.05 4.27 0.00 3.06 2.89 0.00 0.00 6.61 8.12 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 39 F 8.03 4.07 0.00 2.99 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 40 I 8.10 3.46 1.83 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.08 0.75 0.00 0.00 41 R 8.00 3.88 0.00 1.89 1.91 0.00 3.08 0.00 0.00 3.19 7.56 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.22 1.00 0.00 0.00 60 Q 8.45 3.97 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 61 T 7.65 3.88 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 1.36 0.00 0.00 62 A 7.84 3.88 0.63 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 63 E 8.24 4.04 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.57 0.00 64 A 7.42 4.43 1.31 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 0.00 0.00 0.00 65 L 8.01 4.05 0.00 1.77 1.76 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.57 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 0.00 0.00 0.00 0.00 67 V 7.22 4.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 76 N 8.24 4.54 0.00 2.76 2.74 0.00 0.00 6.84 7.59 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 77 E 8.16 4.02 0.00 1.51 1.67 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 2.24 2.29 0.00 78 I 8.09 3.72 1.58 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.69 0.73 0.00 0.00 79 D 8.99 4.55 0.00 2.75 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 80 A 9.28 4.69 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 81 G 7.73 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 82 V 8.26 3.69 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 0.24 0.00 0.00 0.95 0.00 0.00 83 C 7.47 4.24 0.00 2.49 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.45 3.78 0.00 1.94 1.86 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.21 0.00 119 D 7.70 4.27 0.00 2.98 2.61 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 0.00 120 L 7.71 3.83 0.00 1.73 1.81 0.87 0.57 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 0.00 121 V 7.93 3.63 2.32 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 0.94 0.00 0.00 1.17 0.00 0.00 122 Q 7.81 4.09 0.00 2.15 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.60 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 123 R 7.75 4.10 0.00 2.04 2.04 0.00 3.11 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 124 L 7.69 4.23 0.00 1.86 1.66 0.93 0.89 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 0.00 125 E 7.96 3.84 0.00 2.17 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 2.26 2.47 0.00 126 P 0.00 4.46 0.00 2.44 2.27 0.00 3.68 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 2.13 2.09 0.00 127 V 6.89 2.90 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 0.77 0.00 0.00 0.15 0.00 0.00 128 I 7.60 3.92 1.61 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.45 -0.21 0.00 0.00 *130 E 8.15 4.42 0.00 2.46 2.39 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 2.68 3.10 0.00 131 L 8.59 4.12 0.00 2.20 2.09 0.42 1.10 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 0.00 132 E 8.78 4.22 0.00 2.29 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 0.00 2.45 2.43 0.00 133 R 7.37 4.43 0.00 2.09 2.04 0.00 3.34 0.00 0.00 3.30 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.92 0.00 134 Q 7.40 4.58 0.00 2.25 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.77 6.93 0.00 0.00 0.00 0.00 0.00 2.67 2.43 0.00 135 E 8.11 4.49 0.00 1.87 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 0.00 2.32 2.26 0.00 136 N 7.78 5.14 0.00 2.58 2.69 0.00 0.00 6.25 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 0.00 137 V 8.56 4.67 1.69 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 -0.07 0.00 0.00 0.49 0.00 0.00 138 L 8.97 4.92 0.00 1.61 1.44 0.99 0.66 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 0.00 139 V 9.16 4.64 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.84 0.00 0.00 140 I 8.64 4.71 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.06 0.93 0.00 0.00 141 C 9.33 4.93 0.00 2.94 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 0.00 142 H 8.73 5.31 0.00 3.27 3.40 0.00 5.63 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 Q 9.01 3.84 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.06 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 144 A 8.68 4.30 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 0.00 145 V 7.51 3.79 2.30 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 1.00 0.00 0.00 0.98 0.00 0.00 *147 R 8.10 4.39 0.00 2.35 2.23 0.00 3.39 0.00 0.00 3.50 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.96 0.00 148 C 8.07 4.29 0.00 3.23 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 0.00 149 L 8.13 4.03 0.00 1.85 1.96 1.01 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.19 4.10 0.00 1.85 1.91 1.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 151 A 8.33 4.11 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 0.00 152 Y 7.79 3.81 0.00 2.86 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 0.00 153 F 7.77 4.04 0.00 3.17 3.09 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 0.00 0.00 0.00 154 L 8.53 4.31 0.00 1.71 1.71 0.96 1.15 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 0.00 155 D 7.30 4.18 0.00 2.68 2.61 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 0.00 156 K 8.24 4.59 0.00 1.72 1.78 0.00 1.76 0.00 0.00 1.85 0.00 0.00 3.20 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.51 7.81 157 S 8.57 4.49 0.00 3.97 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 0.00 158 S 8.21 3.60 0.00 2.72 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 0.00 159 D 7.72 4.46 0.00 2.62 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 0.00 160 E 7.93 4.15 0.00 2.12 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 2.30 2.28 0.00 161 L 8.03 3.82 0.00 1.82 1.72 0.99 1.26 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 0.00 162 P 0.00 3.52 0.00 1.18 1.10 0.00 3.75 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 1.77 1.31 0.00 163 Y 7.72 4.59 0.00 2.96 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 0.00 164 L 7.74 4.07 0.00 1.80 1.64 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 165 K 8.56 4.09 0.00 1.72 1.75 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.46 7.81 166 C 8.23 4.80 0.00 2.97 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 P 0.00 4.44 0.00 2.02 1.94 0.00 3.67 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 168 L 8.12 4.17 0.00 1.64 1.38 0.84 0.91 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 0.00 169 H 8.36 2.94 0.00 3.47 3.40 0.00 5.63 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 T 7.30 5.11 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 171 V 8.93 4.41 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 1.20 0.00 0.00 0.83 0.00 0.00 172 L 9.22 4.93 0.00 1.69 1.57 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 173 K 9.25 4.31 0.00 1.61 1.60 0.00 1.59 0.00 0.00 1.81 0.00 0.00 2.73 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.07 0.46 7.81 174 L 8.67 5.11 0.00 1.28 1.38 0.88 0.43 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 0.00 175 T 8.52 4.56 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 1.08 0.00 0.00 176 P 0.00 4.76 0.00 1.89 2.05 0.00 3.64 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.91 0.00 177 V 8.37 4.31 1.80 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 -0.35 0.00 0.00 0.65 0.00 0.00 178 A 8.48 3.90 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 0.00 179 Y 7.44 4.50 0.00 3.03 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 0.00 180 G 6.68 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 0.00 0.00 0.00 181 C 8.55 4.81 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 0.00 182 R 8.63 4.56 0.00 1.95 1.74 0.00 3.10 0.00 0.00 3.13 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 183 V 8.14 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 0.83 0.00 0.00 0.95 0.00 0.00 184 E 9.04 4.68 0.00 2.04 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 2.23 2.26 0.00 185 S 8.85 5.14 0.00 3.90 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 0.00 186 I 9.07 4.43 1.45 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 1.21 0.48 0.75 0.00 0.00 187 Y 8.68 4.72 0.00 2.90 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 0.00 188 L 8.34 4.25 0.00 1.80 1.64 0.69 1.15 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 0.00 189 N 7.88 3.98 0.00 2.52 2.65 0.00 0.00 7.02 7.71 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 0.00 190 V 8.04 4.05 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 0.84 0.00 0.00 1.01 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.