NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.2849 8.4444 120.2297 55.8488 30.4880 174.9192 4 K 4.0946 8.5922 126.3729 54.4780 33.0747 174.3297 5 T 4.3794 8.7502 117.8791 61.1038 71.4787 172.8406 6 C 4.9553 8.6762 118.5634 57.7334 41.4667 172.8434 7 D 5.1095 9.0300 122.8474 52.7738 42.8311 176.1539 8 L 5.3818 8.6741 122.8064 51.9498 44.2961 176.5680 9 V 3.6537 8.1832 120.3166 62.6914 31.9234 175.9023 10 G 4.0641 8.7694 109.7594 44.2017 0.0000 173.2256 11 E 4.1332 8.6535 119.0013 55.2093 30.1639 176.8929 12 K 4.0518 8.5586 120.7682 59.0769 32.5659 176.3723 13 G 4.1433 9.1333 111.5394 45.0148 0.0000 173.8550 14 K 4.5734 7.8815 118.9834 56.0613 32.6356 176.1203 15 E 4.4921 7.9083 117.4375 54.5934 31.5686 176.7558 16 S 4.1375 8.4253 113.9930 59.1167 63.6558 174.6705 17 E 4.0778 8.8267 128.6024 58.7897 29.3258 179.0400 18 K 3.9997 7.8126 119.1986 59.5400 32.1398 179.1010 19 E 4.0685 8.1370 118.3940 59.1844 29.4988 179.0943 20 L 4.0228 7.9926 118.8968 57.9226 41.7507 179.4705 21 A 4.0569 8.1955 120.5512 54.9980 18.2358 179.8132 22 L 3.9300 7.6248 117.5281 57.9719 41.5426 179.4763 23 L 4.1590 7.8086 117.5823 57.7855 41.8906 179.3754 24 K 4.0013 8.0623 118.2929 59.7170 31.8627 179.2343 25 R 3.8787 7.7290 117.1558 59.2092 30.1584 177.5808 26 L 4.3007 7.8855 116.5277 55.1031 41.8334 178.4376 27 T 2.4800 7.3689 117.9861 65.7895 68.2205 174.0095 28 P 4.3053 0.0000 0.0000 64.9106 31.4358 177.4691 29 L 4.3837 8.1624 119.1033 56.3624 41.6107 178.4581 30 F 4.5153 8.2303 117.4003 59.9394 38.8882 176.7685 31 Q 4.0835 8.0264 115.0640 57.3482 28.8970 176.0313 32 K 4.1442 7.6715 118.8966 55.4598 33.3563 175.6753 33 S 4.2178 7.4906 113.7909 56.4813 65.3023 172.8259 34 F 5.1040 8.5336 125.0744 55.6846 41.8839 174.0439 35 E 5.5555 8.9196 122.7102 54.2573 32.6475 175.1673 36 S 4.8802 9.5956 121.7567 58.1887 63.9688 174.5762 37 T 4.4986 8.2264 111.7244 61.3891 68.3685 174.7625 *44 M 4.3044 7.7033 121.5439 55.7960 35.0350 174.7740 45 Y 5.3986 7.8441 113.6794 56.0729 42.0110 174.8029 46 S 4.9866 8.9118 115.1627 56.8279 66.0324 172.2720 47 Y 5.3463 9.3414 123.0209 56.2506 41.6429 174.6017 48 V 4.9380 8.8311 123.0988 61.0783 34.8066 173.9115 49 F 5.4877 9.2859 129.7335 56.5485 42.4202 173.7787 50 R 4.4322 8.4128 123.3182 54.2437 33.9778 175.2000 51 V 3.8253 7.9893 122.1197 62.5080 31.4401 176.2970 52 C 3.5839 8.7240 124.6711 57.2252 38.1320 173.2043 53 R 3.8488 6.6223 116.5285 53.7610 32.7359 173.9861 54 E 4.2174 8.4291 123.2568 56.6773 29.6678 176.5239 55 A 4.1972 8.9445 130.1407 52.9400 19.5350 177.0234 56 G 4.0237 8.0638 104.7297 44.7148 0.0000 173.6160 57 Q 4.5719 9.1531 115.6809 55.9227 28.9240 176.0876 58 H 4.8633 7.8390 113.1340 55.1584 29.7827 173.4274 59 S 3.7398 8.1650 112.5525 59.8747 60.2202 173.2104 60 S 4.3771 8.2549 113.5219 58.2359 62.8472 174.8395 61 G 3.5151 8.7898 109.4125 46.1957 0.0000 173.4375 62 A 4.3258 8.2343 122.1355 51.5771 19.4604 179.1516 63 G 3.6504 8.9816 108.5464 46.8319 0.0000 173.4619 64 L 5.2690 7.7348 122.4227 54.0908 45.6364 174.7983 65 V 4.9300 8.9898 119.0837 59.5220 35.9410 174.2970 66 Q 4.4271 8.9483 124.2830 54.4201 31.4088 174.1527 67 I 4.7535 8.7261 128.4766 59.6509 39.4792 174.8590 68 Q 4.6473 9.0245 129.9132 55.5940 29.2643 176.3418 69 K 4.0273 8.7720 127.9476 59.7368 32.5811 179.9735 70 S 4.1151 8.3362 113.5166 60.4591 62.6833 174.3714 71 N 4.8131 7.6923 112.7123 51.4716 37.9059 175.6140 72 G 3.7887 8.5187 106.7392 45.7080 0.0000 173.7163 73 K 4.0220 7.5185 123.0620 56.4086 33.2015 175.1087 74 E 4.8823 8.7955 128.7487 55.0585 31.0667 174.6966 75 T 4.6408 8.5518 124.3154 61.6482 71.3817 173.8413 76 V 4.0126 8.6290 127.2454 62.6742 31.9001 176.6367 77 V 3.6565 8.8545 129.3100 65.2253 32.8660 175.8625 78 G 4.4682 7.7924 104.6570 45.2186 0.0000 172.3297 79 R 5.1041 8.9803 121.6657 52.9111 32.9217 177.1781 80 F 4.0840 8.1728 117.2346 58.0509 38.1551 176.1834 81 N 4.5476 7.4020 117.9738 54.2246 37.7669 174.8849 82 E 4.7890 7.9969 118.3457 54.9457 29.1166 174.3499 83 T 5.1608 8.9344 118.7892 62.0793 71.6853 174.5694 84 Q 4.9675 9.0204 125.7483 54.5444 32.7591 173.7059 85 I 5.2892 9.2280 125.8270 59.8468 41.5158 173.6089 86 F 5.2352 8.8508 123.2341 55.7479 41.8086 172.9386 87 Q 4.4034 8.5919 116.4756 54.1959 32.1608 174.5274 88 G 3.1022 6.6738 107.5667 44.2511 0.0000 173.4782 89 S 4.2366 8.5740 115.2643 61.5809 63.3231 175.1025 90 N 5.2557 7.9485 117.8741 51.0753 37.4518 174.0905 91 W 5.6163 7.5815 114.2237 56.8096 31.9496 172.9844 92 I 4.9408 9.2002 121.4973 59.8677 41.2063 173.8085 93 M 4.9463 9.1369 126.6880 53.5765 34.5295 174.0018 94 L 5.1992 8.6426 127.9779 53.2919 45.3758 174.9746 95 I 5.1011 8.8643 125.9569 59.7600 41.3755 173.7033 96 Y 5.5145 9.0580 124.3693 56.6226 40.6200 175.7103 97 K 4.8059 9.0836 125.0815 54.9991 35.6999 176.8563 98 G 4.0423 8.2287 106.8605 47.0238 0.0000 174.2662 99 G 4.0470 7.8619 107.7087 44.1992 0.0000 173.9650 100 D 4.6438 8.9242 119.6113 54.3574 41.8623 176.5397 101 E 4.6385 8.5792 121.4262 56.3943 30.5565 176.4853 102 Y 4.3869 8.8861 121.2972 58.4639 38.8288 176.4492 103 D 4.8625 9.0202 120.8516 55.1839 42.0975 176.8947 104 N 4.9502 8.0554 111.9562 54.3496 44.3619 174.5218 105 H 4.4213 8.2193 114.5040 55.0065 30.3070 175.0037 106 C 4.8856 8.7735 113.8341 57.1508 37.6114 174.2644 107 G 4.1133 8.7136 102.4242 46.4858 0.0000 174.1826 108 R 4.5545 8.5529 115.0094 55.8008 28.4100 176.5999 109 E 4.5256 7.9390 114.7426 55.6359 31.7226 175.6335 110 Q 4.5453 8.5551 119.0881 55.6395 29.6009 176.8131 111 R 4.3108 8.6131 122.3385 56.8330 31.7016 175.5429 112 R 5.2639 8.7728 119.1638 54.9929 34.1677 173.1669 113 A 5.4639 9.3298 127.0388 50.2220 21.9835 175.1231 114 V 4.6368 9.4625 123.1747 61.0526 34.3662 174.3493 115 V 4.6870 8.9158 128.5694 61.3140 34.0863 173.7247 116 M 4.5653 8.9957 129.0205 54.3093 33.7572 174.6638 117 I 4.7826 8.9330 128.7865 60.1274 38.9710 175.2955 118 S 5.0810 8.7931 124.0269 56.8738 65.1683 173.2506 119 C 4.7802 8.6146 123.5638 57.1608 39.7534 173.2210 120 N 4.7153 8.5628 124.3687 52.9964 40.0409 174.9313 121 R 3.9505 8.8027 126.5545 59.0039 30.3415 177.7380 122 H 4.6236 8.0973 112.8580 56.6470 29.3862 175.0410 123 T 4.6988 7.6059 114.1083 60.2533 70.5095 174.2180 124 L 3.9949 9.0047 128.5582 57.2496 42.5032 177.2989 125 A 4.4918 7.2264 116.3489 51.7177 22.7583 174.6433 126 D 4.4168 8.7762 121.1580 54.9595 44.8545 175.0101 127 N 4.4506 9.0293 115.5310 54.1748 35.5308 174.4820 128 F 4.6967 8.4553 120.4601 58.4836 40.2408 173.9697 129 N 4.5876 8.2807 121.5465 51.3062 43.4732 172.3007 130 P 4.1089 0.0000 0.0000 62.9619 31.7497 175.9507 131 V 4.0543 8.0478 124.0696 63.5294 32.6019 175.6171 132 S 4.4130 6.7851 112.0013 57.7713 65.8157 173.7241 133 E 4.3848 8.4327 120.7677 54.1417 31.8309 174.4572 134 E 4.1374 8.3829 129.5654 54.3080 30.4683 175.7665 135 R 4.1182 8.1542 122.7286 55.7217 30.3002 175.7488 136 G 3.9746 8.5172 105.0576 45.6611 0.0000 173.9537 137 K 4.6304 7.3914 118.6431 54.0804 34.6573 177.7753 138 V 3.7428 8.2457 113.8316 63.8062 31.7514 175.9984 139 Q 4.5594 7.9296 115.1264 56.2505 30.6754 172.4817 140 D 4.4562 8.9626 114.8472 55.8045 37.7964 174.6872 141 C 4.8973 8.7408 116.2909 56.4938 40.5032 173.5994 142 F 5.1103 7.9094 113.2988 57.1272 41.3292 172.1829 143 Y 4.8344 9.1236 117.8382 56.1786 40.4690 174.5752 144 L 5.2890 8.5495 126.1197 53.4406 44.7499 175.1244 145 F 5.1378 9.2472 123.4106 55.8961 43.9565 173.3889 146 E 5.2187 8.8069 118.4000 55.4787 34.0631 174.4108 147 M 5.1892 8.7869 119.9865 54.9413 36.4676 172.9259 148 D 5.4230 8.9509 123.1939 53.0460 44.1753 175.6092 149 S 5.0196 8.7072 113.3212 57.5935 65.9228 176.6814 150 S 4.2726 9.2871 122.8209 61.0921 63.0027 176.5688 151 L 3.8961 7.6095 120.1636 57.3934 41.3846 177.6871 152 A 4.2960 8.1084 119.9939 52.6284 18.6933 176.3096 153 C 4.6615 7.8517 114.0837 56.1280 41.6132 174.1488 154 S 4.2985 8.3535 116.8139 58.8271 63.0567 174.2407 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 3 E 8.44 4.28 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 4 K 8.59 4.09 0.00 1.80 1.73 0.00 1.71 0.00 0.00 1.78 0.00 0.00 3.26 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.57 1.72 7.81 5 T 8.75 4.38 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 1.09 0.00 0.00 6 C 8.68 4.96 0.00 2.96 3.20 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 7 D 9.03 5.11 0.00 2.70 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 8 L 8.67 5.38 0.00 1.57 1.79 0.98 1.20 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 9 V 8.18 3.65 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 0.73 0.00 0.00 0.95 0.00 0.00 10 G 8.77 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 11 E 8.65 4.13 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.25 0.00 12 K 8.56 4.05 0.00 1.87 1.89 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.49 7.81 13 G 9.13 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 0.00 0.00 0.00 0.00 14 K 7.88 4.57 0.00 1.72 1.81 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.38 7.81 15 E 7.91 4.49 0.00 1.96 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 2.29 2.36 0.00 16 S 8.43 4.14 0.00 3.90 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 17 E 8.83 4.08 0.00 2.13 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 2.38 2.46 0.00 18 K 7.81 4.00 0.00 1.81 1.86 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.48 7.81 19 E 8.14 4.07 0.00 2.19 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 0.00 2.74 2.46 0.00 20 L 7.99 4.02 0.00 1.89 1.75 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.20 4.06 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 22 L 7.62 3.93 0.00 1.93 1.76 0.94 0.51 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 23 L 7.81 4.16 0.00 1.89 1.97 1.03 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.06 4.00 0.00 2.03 1.84 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.59 7.81 25 R 7.73 3.88 0.00 1.90 2.10 0.00 3.23 0.00 0.00 3.33 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 26 L 7.89 4.30 0.00 2.00 1.79 1.03 0.50 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 27 T 7.37 2.48 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 0.87 0.00 0.00 28 P 0.00 4.31 0.00 2.18 2.11 0.00 3.65 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.99 0.00 29 L 8.16 4.38 0.00 1.97 2.00 1.01 1.25 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 30 F 8.23 4.52 0.00 2.95 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 31 Q 8.03 4.08 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.96 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 32 K 7.67 4.14 0.00 1.37 1.21 0.00 1.69 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.31 7.81 33 S 7.49 4.22 0.00 3.59 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 F 8.53 5.10 0.00 2.78 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 35 E 8.92 5.56 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.61 0.00 36 S 9.60 4.88 0.00 4.09 4.16 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 37 T 8.23 4.50 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 *44 M 7.70 4.30 0.00 1.21 1.80 0.00 0.00 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 1.87 0.00 45 Y 7.84 5.40 0.00 2.82 2.42 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 0.00 46 S 8.91 4.99 0.00 3.92 3.68 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 0.00 0.00 0.00 0.00 47 Y 9.34 5.35 0.00 3.33 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 48 V 8.83 4.94 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 0.92 0.00 0.00 0.99 0.00 0.00 49 F 9.29 5.49 0.00 2.48 1.78 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 50 R 8.41 4.43 0.00 1.56 1.43 0.00 3.04 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.37 0.00 51 V 7.99 3.83 2.22 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 1.25 0.00 0.00 0.89 0.00 0.00 52 C 8.72 3.58 0.00 1.70 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 53 R 6.62 3.85 0.00 1.39 1.39 0.00 3.29 0.00 0.00 3.02 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.39 0.00 54 E 8.43 4.22 0.00 2.05 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 2.30 2.54 0.00 55 A 8.94 4.20 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 56 G 8.06 4.02 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 0.00 0.00 0.00 57 Q 9.15 4.57 0.00 1.83 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.28 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 58 H 7.84 4.86 0.00 3.08 3.23 0.00 5.85 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.16 3.74 0.00 3.97 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.25 4.38 0.00 3.82 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 61 G 8.79 3.52 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 0.00 0.00 0.00 62 A 8.23 4.33 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 63 G 8.98 3.65 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 0.00 0.00 0.00 64 L 7.73 5.27 0.00 2.05 1.61 0.18 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.99 4.93 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 0.62 0.00 0.00 0.95 0.00 0.00 66 Q 8.95 4.43 0.00 1.89 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 1.69 1.28 0.00 67 I 8.73 4.75 1.87 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 1.11 0.47 0.93 0.00 0.00 68 Q 9.02 4.65 0.00 2.39 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 69 K 8.77 4.03 0.00 1.71 1.86 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.43 7.81 70 S 8.34 4.12 0.00 3.97 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 71 N 7.69 4.81 0.00 2.96 3.04 0.00 0.00 6.88 7.70 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 72 G 8.52 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 0.00 0.00 0.00 73 K 7.52 4.02 0.00 2.05 1.74 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.38 7.81 74 E 8.80 4.88 0.00 2.05 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 2.21 2.32 0.00 75 T 8.55 4.64 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 1.09 0.00 0.00 76 V 8.63 4.01 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 0.89 0.00 0.00 0.89 0.00 0.00 77 V 8.85 3.66 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 0.43 0.00 0.00 0.73 0.00 0.00 78 G 7.79 4.47 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 0.00 79 R 8.98 5.10 0.00 1.63 1.66 0.00 3.15 0.00 0.00 3.14 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.38 0.00 80 F 8.17 4.08 0.00 3.04 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 81 N 7.40 4.55 0.00 2.72 2.66 0.00 0.00 5.87 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 82 E 8.00 4.79 0.00 2.12 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 2.22 2.23 0.00 83 T 8.93 5.16 4.53 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 84 Q 9.02 4.97 0.00 2.21 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.73 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 85 I 9.23 5.29 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 1.31 1.04 1.00 0.00 0.00 86 F 8.85 5.24 0.00 3.08 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 87 Q 8.59 4.40 0.00 1.91 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 88 G 6.67 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 89 S 8.57 4.24 0.00 3.93 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 90 N 7.95 5.26 0.00 2.77 2.98 0.00 0.00 6.27 8.88 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 91 W 7.58 5.62 0.00 3.38 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 I 9.20 4.94 1.88 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 1.00 0.55 0.94 0.00 0.00 93 M 9.14 4.95 0.00 0.87 1.67 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.21 0.00 94 L 8.64 5.20 0.00 1.72 1.33 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.86 5.10 1.97 0.00 0.00 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 1.24 0.89 1.01 0.00 0.00 96 Y 9.06 5.51 0.00 2.94 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 9.08 4.81 0.00 1.87 1.83 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.49 7.81 98 G 8.23 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 99 G 7.86 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 0.00 0.00 0.00 0.00 100 D 8.92 4.64 0.00 2.46 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.58 4.64 0.00 1.87 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 2.35 2.35 0.00 102 Y 8.89 4.39 0.00 3.02 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 0.00 103 D 9.02 4.86 0.00 2.74 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 0.00 104 N 8.06 4.95 0.00 2.65 2.72 0.00 0.00 6.96 8.16 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 0.00 105 H 8.22 4.42 0.00 2.65 2.89 0.00 5.96 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 C 8.77 4.89 0.00 2.81 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 0.00 107 G 8.71 4.11 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 0.00 108 R 8.55 4.55 0.00 1.98 2.14 0.00 3.16 0.00 0.00 3.17 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.54 0.00 109 E 7.94 4.53 0.00 2.18 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 2.64 2.55 0.00 110 Q 8.56 4.55 0.00 2.02 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.06 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 111 R 8.61 4.31 0.00 1.64 1.89 0.00 2.98 0.00 0.00 2.82 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.16 0.00 112 R 8.77 5.26 0.00 2.03 1.99 0.00 3.27 0.00 0.00 3.45 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.78 0.00 113 A 9.33 5.46 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 0.00 114 V 9.46 4.64 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 0.93 0.00 0.00 0.85 0.00 0.00 115 V 8.92 4.69 1.79 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 0.63 0.00 0.00 0.35 0.00 0.00 116 M 9.00 4.57 0.00 2.09 1.81 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 117 I 8.93 4.78 1.98 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 1.22 0.60 0.92 0.00 0.00 118 S 8.79 5.08 0.00 3.95 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 0.00 119 C 8.61 4.78 0.00 3.16 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 0.00 120 N 8.56 4.72 0.00 2.80 2.67 0.00 0.00 7.21 7.65 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 0.00 121 R 8.80 3.95 0.00 1.64 1.91 0.00 3.39 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 122 H 8.10 4.62 0.00 3.28 3.37 0.00 5.84 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 0.00 123 T 7.61 4.70 4.29 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 1.26 0.00 0.00 124 L 9.00 3.99 0.00 1.66 1.74 0.93 1.11 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 0.00 125 A 7.23 4.49 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 0.00 126 D 8.78 4.42 0.00 2.80 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 0.00 127 N 9.03 4.45 0.00 2.96 2.95 0.00 0.00 6.84 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 0.00 128 F 8.46 4.70 0.00 2.97 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 0.00 129 N 8.28 4.59 0.00 2.54 2.50 0.00 0.00 6.63 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 P 0.00 4.11 0.00 1.72 1.34 0.00 3.56 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 2.05 1.90 0.00 131 V 8.05 4.05 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 0.68 0.00 0.00 0.81 0.00 0.00 132 S 6.79 4.41 0.00 3.69 3.76 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 0.00 133 E 8.43 4.38 0.00 1.39 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.47 0.00 134 E 8.38 4.14 0.00 1.38 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 2.02 2.03 0.00 135 R 8.15 4.12 0.00 1.42 1.76 0.00 2.58 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.39 0.00 136 G 8.52 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 0.00 137 K 7.39 4.63 0.00 1.84 1.75 0.00 1.70 0.00 0.00 1.85 0.00 0.00 3.18 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.53 7.81 138 V 8.25 3.74 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 0.70 0.00 0.00 0.93 0.00 0.00 139 Q 7.93 4.56 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.86 0.00 0.00 0.00 0.00 0.00 2.19 2.35 0.00 140 D 8.96 4.46 0.00 2.93 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 C 8.74 4.90 0.00 3.08 3.21 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 0.00 142 F 7.91 5.11 0.00 3.19 3.19 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 0.00 143 Y 9.12 4.83 0.00 3.21 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 0.00 144 L 8.55 5.29 0.00 1.96 1.40 1.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 145 F 9.25 5.14 0.00 2.88 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 0.00 146 E 8.81 5.22 0.00 1.80 1.73 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 2.16 2.16 0.00 147 M 8.79 5.19 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.45 0.00 148 D 8.95 5.42 0.00 2.73 2.56 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 0.00 149 S 8.71 5.02 0.00 3.83 3.65 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 0.00 150 S 9.29 4.27 0.00 4.00 4.29 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 0.00 151 L 7.61 3.90 0.00 1.64 1.77 0.92 1.24 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 0.00 152 A 8.11 4.30 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 C 7.85 4.66 0.00 3.05 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 S 8.35 4.30 0.00 3.85 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 * Residues marked with a * may have inaccurate shift predictions.