NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2628 8.1593 117.3737 63.5580 69.8029 174.0004 2 S 4.4453 8.2968 121.1679 55.9642 66.5098 173.4542 3 K 4.0517 9.1334 123.2011 59.4952 32.3453 179.6967 4 K 3.8726 8.0525 118.3007 59.5594 31.8731 178.9301 5 K 4.0855 7.6456 117.5742 58.4719 32.1536 177.8020 6 R 4.3991 7.6210 116.1420 56.8609 30.9685 177.6821 7 Q 4.1054 7.9699 118.8472 56.9578 28.5334 176.2063 8 R 4.1473 7.4649 119.5462 57.7276 30.2957 176.6169 9 G 4.0872 9.0667 111.8303 45.4190 0.0000 174.3869 10 S 4.1418 7.9111 113.2915 58.9274 63.3092 174.1883 11 R 4.1637 7.9479 124.5966 56.8841 29.3057 176.3835 12 T 4.3054 7.6129 104.7040 61.1621 69.6623 174.2226 13 H 4.4588 8.4132 117.7527 56.1365 26.8177 175.7292 14 G 3.9398 8.4028 104.9469 45.8007 0.0000 174.8114 15 G 3.7610 8.4972 108.0629 45.7318 0.0000 176.1550 16 G 3.8841 7.9490 106.5303 44.6336 0.0000 173.2456 17 S 4.1293 8.6704 115.9065 59.0339 62.6755 175.1674 18 H 4.4280 8.9083 120.3624 56.8515 28.1694 175.7951 19 K 4.1488 7.6958 118.9594 56.9145 32.0860 177.5053 20 N 4.3585 7.6020 117.3806 56.0107 38.8984 177.2032 21 R 4.2656 7.4194 122.5340 56.2430 28.9997 177.7943 22 R 4.6146 7.4613 124.1115 56.1960 31.5629 179.6533 23 G 4.0632 8.4942 119.1975 45.3236 0.0000 173.1312 24 A 4.3146 8.6796 121.6541 54.2934 18.4894 179.9070 25 G 3.5638 8.0668 104.4232 47.8928 0.0000 174.8547 26 H 4.5412 8.0877 118.1650 57.6689 29.9776 176.2195 27 R 4.5699 7.5965 116.9160 55.3466 31.1150 175.6566 28 G 3.8361 8.1937 106.7918 46.8382 0.0000 174.2314 29 G 4.1200 8.1666 106.1605 44.2866 0.0000 174.8150 30 R 4.2322 8.5624 118.9564 56.3707 32.0030 177.7597 31 G 3.8794 8.1350 109.0987 47.5690 0.0000 174.2006 32 D 4.7911 8.4319 118.5508 53.9493 41.3457 176.0248 33 A 3.9767 7.4525 122.4398 53.5610 19.0835 178.8125 34 G 3.7832 8.9617 109.2120 46.0497 0.0000 175.3593 35 R 4.0746 7.6080 115.6884 57.4268 29.1853 177.1635 36 D 5.0973 7.8692 115.6307 52.7207 42.2549 175.2657 37 K 4.5302 8.8267 118.7613 57.0132 32.0863 178.7677 38 H 4.3345 9.8551 125.9893 58.5120 29.5053 175.6877 39 E 4.7290 7.4184 120.9200 55.6353 30.4731 178.0634 40 F 4.5712 8.2066 115.2392 59.2139 38.5583 175.1412 41 H 3.6887 5.6665 115.2402 57.4916 28.7246 174.3304 42 N 4.1887 8.8064 118.6641 54.1911 36.2966 173.3104 43 H 4.6885 7.8279 117.3653 54.3390 31.1756 174.9341 44 E 4.1411 8.5693 125.0091 55.7718 29.9297 175.3733 45 P 4.5480 0.0000 0.0000 62.1545 32.3154 176.1740 46 L 4.1163 8.0461 119.3049 55.1692 42.1969 175.9418 47 G 4.1454 8.2145 106.0505 43.9559 0.0000 173.5302 48 K 4.5863 8.0766 119.0398 55.0409 34.2016 176.3858 49 S 4.3997 8.5732 113.3915 58.3757 65.3792 176.2285 50 G 4.0251 8.9871 117.3538 45.4215 0.0000 171.3868 51 F 4.9555 8.1074 112.7613 55.7143 40.8871 173.1461 52 K 4.2917 8.3859 118.8548 54.5068 35.2169 176.6004 53 R 4.6095 8.1436 121.4163 54.1015 31.6122 174.7077 54 P 4.3698 0.0000 0.0000 62.9459 31.6560 177.4705 55 Q 3.9347 8.8366 121.0389 58.4543 28.7348 177.6182 56 K 4.3959 7.9763 114.5806 56.6394 32.9293 176.7267 57 V 4.3297 8.0228 117.6350 62.7781 31.8862 174.6653 58 Q 4.6768 7.8894 116.7345 54.2138 30.5779 174.5983 59 E 4.8289 8.5324 120.7799 53.9108 31.7673 175.1224 60 E 4.5046 8.5651 122.9674 54.2468 31.9439 174.4598 61 A 3.8674 8.2908 128.8625 51.1269 20.0138 176.1202 62 A 4.4592 8.6183 124.2725 50.9565 20.2485 176.7505 63 T 5.4470 8.1529 112.2060 59.8244 72.0127 173.4865 64 I 4.4488 7.8142 119.9447 60.1906 41.6414 172.7532 65 D 5.2086 8.5691 127.9696 53.2123 42.5053 177.7860 66 V 3.6215 8.6054 116.0228 64.8334 31.5833 178.8489 67 R 3.8484 7.7934 118.0920 59.5109 29.5867 178.1400 68 E 3.8886 7.9977 117.5188 59.4596 30.0000 178.3999 69 I 3.7623 7.7158 119.2494 64.5482 37.1211 177.4939 70 D 4.3350 8.7777 118.7970 57.7118 40.8776 178.3966 71 E 4.1489 8.1820 117.0946 58.1262 29.5308 177.3323 72 N 4.9632 7.8628 116.2594 52.8574 39.3367 176.7796 73 V 3.2557 7.2067 112.7301 64.8762 31.8920 177.7914 74 T 4.0365 7.7480 108.9185 64.8822 68.5738 175.2765 75 L 4.0594 7.9170 120.6407 57.2660 41.1245 177.8866 76 L 4.3438 7.8783 119.5824 54.2261 41.0689 178.4876 77 A 4.2128 7.8302 123.0873 55.1582 19.0052 179.4192 78 A 4.6012 7.2703 115.0880 52.0763 18.0096 177.1536 79 D 4.4942 8.7280 119.7195 56.4635 44.6481 176.0120 80 D 4.1631 7.7202 122.6124 52.2994 41.1722 175.3869 81 V 4.3182 7.8193 120.5275 61.1315 31.8801 175.0267 82 A 4.4801 7.7387 127.4333 50.3174 21.0286 177.2880 83 E 3.7095 8.7667 112.8254 59.2110 29.8298 177.0399 *89 F 4.5052 7.7458 117.7263 57.4734 41.0173 173.5127 90 R 5.1441 8.2328 120.9197 54.8558 31.3859 175.9512 91 V 4.4336 8.8580 125.9025 60.1299 35.0380 174.4377 92 D 4.7582 8.8263 124.9661 52.5175 40.4869 176.1408 93 V 3.6138 8.2810 127.5948 66.0389 31.7111 178.5383 94 R 4.0427 7.9493 117.4232 59.2772 29.9084 177.1352 95 D 4.6502 8.3004 115.2595 54.6914 41.2096 176.8165 96 V 4.0908 8.0191 119.4616 63.9902 32.9386 176.5700 97 V 3.7119 7.5324 118.9451 62.5374 31.8260 175.4265 98 E 4.1642 8.5979 126.2269 56.7731 29.9547 176.7662 99 E 3.7390 8.7954 116.8779 57.3279 27.2385 175.8124 100 A 4.2995 7.6366 119.5250 53.1437 18.7024 178.6815 101 D 4.5900 7.8406 117.3208 56.9267 41.5630 178.5565 102 D 4.4793 8.0239 114.3815 53.4329 39.2130 175.3997 103 A 4.7560 7.3926 121.6726 50.8144 21.2625 177.4222 104 D 4.7195 8.4274 120.1890 57.0830 42.1581 175.7621 105 Y 4.6919 7.1668 114.2146 56.4283 40.6741 172.8691 106 V 4.7777 9.8728 121.6339 61.0797 34.0144 174.2572 107 K 4.8660 9.1630 128.8882 54.5824 35.5038 174.5656 108 V 4.5614 8.2206 127.3707 61.6869 33.1170 174.7719 109 L 4.8272 9.4170 128.6786 52.5555 44.5660 176.7135 110 G 4.4203 7.7583 106.6342 45.7333 0.0000 174.0675 111 A 4.4275 7.8797 121.0322 51.9306 20.7210 178.4826 112 G 3.9085 8.9279 109.1088 44.2065 0.0000 172.0218 113 Q 4.5852 8.2411 117.7193 54.1042 31.6299 175.6479 114 V 4.3065 7.8347 117.5775 61.7670 32.3154 174.2994 115 R 4.3877 8.6536 124.2713 56.1206 30.0525 175.8050 116 H 5.0996 7.5623 114.6178 53.9154 32.8478 172.2339 117 E 4.8518 8.7024 118.7185 54.7229 30.4981 175.6031 118 L 5.1889 8.5788 123.5209 53.0744 46.4065 175.7931 119 T 4.9107 9.1273 119.3054 62.1524 70.6338 172.8960 120 L 5.1492 8.5878 127.3658 53.1776 44.3566 175.9794 121 I 5.6016 8.8355 123.7942 59.0546 39.7266 174.5377 122 A 4.8852 8.6120 127.2901 50.5065 22.6705 176.2850 123 D 4.5029 8.6754 117.6168 56.2677 41.8336 176.0847 124 D 4.7540 6.9383 116.4945 53.8896 44.2356 174.7512 125 F 5.4696 9.0126 121.4124 55.7968 43.4335 174.2357 126 S 4.6581 8.5324 114.8131 57.2846 65.1141 174.5425 127 E 3.9652 9.2552 121.7802 60.1056 29.2967 179.6796 128 G 3.7165 8.2062 104.4582 47.6307 0.0000 175.1526 129 A 4.0962 7.9913 123.0392 55.2474 18.3319 179.8481 130 R 3.7398 8.0176 116.0278 59.4087 30.3721 178.6897 131 E 3.8932 8.1799 118.2175 59.7141 29.3791 180.1651 132 K 3.9210 7.9682 117.5768 59.4246 32.1724 179.4436 133 V 3.6223 7.6714 118.4431 66.2353 31.3475 177.9637 134 E 4.8254 8.0288 119.9668 58.9913 29.1351 179.3751 135 G 3.7938 7.8552 104.3109 46.8506 0.0000 174.0547 136 A 4.7988 7.9329 123.3906 51.6122 21.2042 176.4350 137 G 3.9780 8.2990 106.1874 48.1849 0.0000 172.6989 138 G 4.4612 7.9236 104.8792 44.4154 0.0000 171.6401 139 S 5.1833 9.0213 113.6262 56.2839 67.0721 173.1794 140 V 4.4751 8.0605 119.0869 61.0881 34.0043 174.1217 141 E 4.5958 9.5311 128.7135 54.3939 31.6460 174.9802 142 L 4.8750 8.5535 127.8591 54.7421 42.7024 176.6254 143 T 4.0947 8.6814 123.4397 63.9013 69.7058 175.3298 144 D 5.1146 8.7495 123.0189 57.3196 40.5818 178.7206 145 L 4.0583 7.9633 119.2709 58.1290 42.2577 178.7901 146 G 4.1773 7.4357 102.4416 45.9650 0.0000 173.1045 147 E 4.4641 8.4931 122.8680 56.7512 29.0421 176.9794 148 E 4.5200 7.7895 111.9863 56.2353 31.2054 177.2752 149 R 4.3731 7.7967 119.7139 54.6672 29.8948 176.1297 150 Q 4.3077 8.1995 122.4106 56.8194 29.3403 173.3033 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 T 8.16 4.26 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 1.20 0.00 0.00 2 S 8.30 4.45 0.00 4.09 3.87 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 3 K 9.13 4.05 0.00 1.84 1.84 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.52 7.81 4 K 8.05 3.87 0.00 1.83 1.86 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.52 7.81 5 K 7.65 4.09 0.00 1.68 2.00 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.52 7.81 6 R 7.62 4.40 0.00 1.93 1.92 0.00 3.20 0.00 0.00 3.21 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 7 Q 7.97 4.11 0.00 1.79 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.98 0.00 0.00 0.00 0.00 0.00 2.63 2.43 0.00 8 R 7.46 4.15 0.00 1.79 1.89 0.00 3.35 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 9 G 9.07 4.09 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 0.00 0.00 0.00 10 S 7.91 4.14 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.95 4.16 0.00 1.98 2.10 0.00 3.20 0.00 0.00 3.26 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 12 T 7.61 4.31 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 1.31 0.00 0.00 13 H 8.41 4.46 0.00 3.20 3.37 0.00 5.69 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 14 G 8.40 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 15 G 8.50 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 0.00 0.00 0.00 16 G 7.95 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 17 S 8.67 4.13 0.00 3.88 3.77 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 0.00 0.00 0.00 0.00 18 H 8.91 4.43 0.00 3.31 3.37 0.00 5.57 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.70 4.15 0.00 1.73 1.81 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.27 1.30 7.81 20 N 7.60 4.36 0.00 2.73 2.64 0.00 0.00 6.96 7.02 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 21 R 7.42 4.27 0.00 1.76 1.88 0.00 3.15 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 22 R 7.46 4.61 0.00 1.72 1.04 0.00 3.21 0.00 0.00 3.19 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.71 0.00 23 G 8.49 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 24 A 8.68 4.31 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.07 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 H 8.09 4.54 0.00 3.19 3.47 0.00 5.90 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 27 R 7.60 4.57 0.00 2.02 1.90 0.00 3.35 0.00 0.00 3.23 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 28 G 8.19 3.84 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 0.00 0.00 0.00 29 G 8.17 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 30 R 8.56 4.23 0.00 1.90 1.86 0.00 3.29 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 31 G 8.13 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 32 D 8.43 4.79 0.00 2.73 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 33 A 7.45 3.98 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 34 G 8.96 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 35 R 7.61 4.07 0.00 1.48 1.89 0.00 2.73 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 36 D 7.87 5.10 0.00 2.73 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.83 4.53 0.00 1.78 1.34 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.36 1.51 7.81 38 H 9.86 4.33 0.00 3.31 3.45 0.00 5.47 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.42 4.73 0.00 1.82 1.88 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 2.17 1.94 0.00 40 F 8.21 4.57 0.00 3.20 3.25 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 41 H 5.67 3.69 0.00 2.97 3.06 0.00 5.81 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 42 N 8.81 4.19 0.00 2.83 2.87 0.00 0.00 6.95 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 43 H 7.83 4.69 0.00 3.42 3.22 0.00 5.96 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 44 E 8.57 4.14 0.00 2.03 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 2.32 2.25 0.00 45 P 0.00 4.55 0.00 2.19 2.08 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 46 L 8.05 4.12 0.00 1.66 1.64 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.21 4.15 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 0.00 48 K 8.08 4.59 0.00 1.76 1.75 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.41 7.81 49 S 8.57 4.40 0.00 3.80 3.70 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 50 G 8.99 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 51 F 8.11 4.96 0.00 3.12 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 52 K 8.39 4.29 0.00 1.71 1.64 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.74 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.22 1.37 7.81 53 R 8.14 4.61 0.00 1.81 1.92 0.00 3.35 0.00 0.00 3.32 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.63 0.00 54 P 0.00 4.37 0.00 2.23 2.22 0.00 3.80 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 2.11 2.03 0.00 55 Q 8.84 3.93 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.13 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 56 K 7.98 4.40 0.00 1.86 1.90 0.00 1.53 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.42 7.81 57 V 8.02 4.33 2.23 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 0.86 0.00 0.00 0.95 0.00 0.00 58 Q 7.89 4.68 0.00 2.21 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.50 6.51 0.00 0.00 0.00 0.00 0.00 2.26 2.53 0.00 59 E 8.53 4.83 0.00 2.03 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 2.32 2.29 0.00 60 E 8.57 4.50 0.00 1.94 1.71 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 2.14 2.19 0.00 61 A 8.29 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.62 4.46 1.18 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 0.00 0.00 63 T 8.15 5.45 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 1.16 0.00 0.00 64 I 7.81 4.45 1.84 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 1.33 1.26 0.93 0.00 0.00 65 D 8.57 5.21 0.00 2.63 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 66 V 8.61 3.62 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.99 0.00 0.00 67 R 7.79 3.85 0.00 1.89 2.02 0.00 3.09 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 1.62 1.65 0.00 68 E 8.00 3.89 0.00 2.00 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 2.30 2.33 0.00 69 I 7.72 3.76 2.01 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 1.52 0.40 0.90 0.00 0.00 70 D 8.78 4.34 0.00 2.79 2.68 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 71 E 8.18 4.15 0.00 2.00 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 2.33 2.61 0.00 72 N 7.86 4.96 0.00 2.68 2.71 0.00 0.00 6.81 7.79 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 73 V 7.21 3.26 0.78 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 0.46 0.00 0.00 0.62 0.00 0.00 74 T 7.75 4.04 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 75 L 7.92 4.06 0.00 1.72 1.77 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.88 4.34 0.00 1.85 1.62 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.83 4.21 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.27 4.60 1.28 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 79 D 8.73 4.49 0.00 2.81 2.59 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 0.00 0.00 0.00 80 D 7.72 4.16 0.00 3.17 2.77 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 0.00 0.00 0.00 0.00 81 V 7.82 4.32 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 0.46 0.00 0.00 1.01 0.00 0.00 82 A 7.74 4.48 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 83 E 8.77 3.71 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 *89 F 7.75 4.51 0.00 2.98 3.29 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 90 R 8.23 5.14 0.00 1.89 1.87 0.00 3.23 0.00 0.00 3.49 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 91 V 8.86 4.43 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.95 0.00 0.00 92 D 8.83 4.76 0.00 2.73 2.85 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 93 V 8.28 3.61 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 0.67 0.00 0.00 0.95 0.00 0.00 94 R 7.95 4.04 0.00 2.07 2.00 0.00 3.22 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 95 D 8.30 4.65 0.00 2.72 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 96 V 8.02 4.09 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 0.74 0.00 0.00 0.93 0.00 0.00 97 V 7.53 3.71 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.97 0.00 0.00 98 E 8.60 4.16 0.00 2.05 1.83 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 2.38 2.31 0.00 99 E 8.80 3.74 0.00 2.15 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 2.27 2.26 0.00 100 A 7.64 4.30 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 0.00 101 D 7.84 4.59 0.00 2.72 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 0.00 102 D 8.02 4.48 0.00 2.76 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.39 4.76 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 0.00 104 D 8.43 4.72 0.00 2.69 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 0.00 105 Y 7.17 4.69 0.00 3.08 2.98 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 0.00 106 V 9.87 4.78 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.91 0.00 0.00 107 K 9.16 4.87 0.00 2.00 1.61 0.00 1.93 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.56 7.81 108 V 8.22 4.56 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 1.01 0.00 0.00 0.74 0.00 0.00 109 L 9.42 4.83 0.00 1.76 1.55 0.92 -0.24 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 0.00 110 G 7.76 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 0.00 0.00 0.00 0.00 111 A 7.88 4.43 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 0.00 112 G 8.93 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 0.00 113 Q 8.24 4.59 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.93 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 114 V 7.83 4.31 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 0.95 0.00 0.00 0.94 0.00 0.00 115 R 8.65 4.39 0.00 1.60 1.84 0.00 3.15 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 116 H 7.56 5.10 0.00 3.21 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.70 4.85 0.00 2.09 2.21 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 2.29 2.24 0.00 118 L 8.58 5.19 0.00 1.63 1.63 1.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 119 T 9.13 4.91 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 1.25 0.00 0.00 120 L 8.59 5.15 0.00 1.87 1.90 1.08 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.84 5.60 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.76 1.02 0.00 0.00 122 A 8.61 4.89 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 0.00 123 D 8.68 4.50 0.00 2.93 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 0.00 124 D 6.94 4.75 0.00 2.63 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 0.00 0.00 0.00 125 F 9.01 5.47 0.00 2.85 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.53 4.66 0.00 3.91 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 0.00 127 E 9.26 3.97 0.00 2.07 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 2.54 2.42 0.00 128 G 8.21 3.72 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 0.00 0.00 0.00 129 A 7.99 4.10 1.54 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 0.00 0.00 130 R 8.02 3.74 0.00 2.02 1.92 0.00 3.15 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.64 0.00 131 E 8.18 3.89 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 132 K 7.97 3.92 0.00 1.98 1.85 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.65 7.81 133 V 7.67 3.62 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.07 0.00 0.00 134 E 8.03 4.83 0.00 2.01 1.95 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 2.41 2.27 0.00 135 G 7.86 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 0.00 136 A 7.93 4.80 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.30 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 0.00 138 G 7.92 4.46 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 0.00 0.00 0.00 139 S 9.02 5.18 0.00 3.80 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 0.00 140 V 8.06 4.48 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 -0.56 0.00 0.00 0.27 0.00 0.00 141 E 9.53 4.60 0.00 2.04 1.88 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 2.23 2.21 0.00 142 L 8.55 4.87 0.00 1.71 1.63 1.23 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.68 4.09 4.35 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 1.26 0.00 0.00 144 D 8.75 5.11 0.00 2.70 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 0.00 145 L 7.96 4.06 0.00 1.65 1.85 1.06 1.01 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 0.00 146 G 7.44 4.18 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 0.00 0.00 0.00 147 E 8.49 4.46 0.00 2.14 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 2.32 2.52 0.00 148 E 7.79 4.52 0.00 1.81 1.83 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 2.17 2.54 0.00 149 R 7.80 4.37 0.00 1.76 1.87 0.00 3.32 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 150 Q 8.20 4.31 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.65 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 * Residues marked with a * may have inaccurate shift predictions.