NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3152 8.1749 117.3734 63.4867 69.8683 173.1640 3 Q 4.2624 8.4072 125.3308 53.6470 30.3962 173.7368 4 Q 4.1725 9.1243 123.9208 56.1723 31.1807 174.7928 5 D 4.7342 8.6142 125.8734 54.0851 42.0299 176.8911 6 F 4.5308 9.1595 126.2203 56.2909 37.6530 173.5697 7 R 5.0923 7.5086 118.5219 55.4103 33.5020 174.0473 8 T 4.5047 8.4350 121.7313 61.5696 73.3348 172.7466 9 K 4.7882 8.4358 125.3344 54.4102 34.4860 175.3715 10 V 4.4648 8.5070 125.5425 62.1807 35.1329 174.8240 11 D 4.2159 8.5639 127.0721 56.0074 40.1056 173.8111 12 N 5.0183 8.8724 125.2012 54.4298 40.1873 171.8383 13 T 4.9854 8.0752 113.3149 61.1736 72.6161 172.9757 14 V 4.7715 8.4505 126.8743 61.0433 33.7806 174.3945 15 F 5.4306 8.5404 122.8932 55.5084 41.3442 174.4743 16 G 4.6033 8.3948 107.3852 46.2120 0.0000 171.3223 17 V 4.9406 8.2186 119.3328 60.9654 34.1871 175.1929 18 R 5.1682 9.3996 127.8098 54.5081 33.4669 173.8448 19 A 5.3937 9.0451 126.7169 50.5985 21.6909 175.5749 20 T 4.9499 9.2497 119.1296 61.6312 71.7738 173.3342 21 A 4.7120 9.0990 128.9342 50.7881 19.8890 176.9474 22 L 4.3520 8.9924 124.1912 54.5212 41.4984 174.5581 23 I 4.3564 7.8811 122.8936 60.3030 38.5190 174.7809 24 V 5.0728 8.5316 127.1134 61.0760 33.7611 174.7135 25 Q 4.4689 9.1301 125.5784 55.5863 32.6082 174.7615 26 N 4.1433 9.6068 118.0821 54.7780 36.4712 173.9795 27 H 4.1695 8.4066 111.7469 56.8185 28.6359 173.1323 28 K 5.2417 8.0077 115.6293 54.0416 36.4494 174.7874 29 L 5.0628 9.0154 125.8391 53.4273 44.1246 175.0710 30 L 4.0040 8.5363 129.4860 54.7162 42.2738 176.1504 31 V 4.6676 8.8234 119.3147 59.7540 36.2125 174.3881 32 T 5.0541 9.0447 116.2274 60.2600 70.5971 172.3198 33 K 4.6146 8.0451 127.7552 54.6737 34.7535 175.3544 34 D 4.3211 9.2610 125.7958 54.3557 44.6972 175.2502 35 K 4.0054 9.7728 127.7476 57.5154 29.4295 175.4138 36 G 4.0815 7.9654 105.9946 45.2668 0.0000 172.8092 37 K 4.6398 7.4827 117.8857 55.1279 34.8359 175.1357 38 Y 4.9850 8.5550 119.8099 56.5681 40.9150 174.6409 39 Y 5.2941 9.3633 120.0399 56.3690 42.6770 174.7389 40 T 4.6569 8.4220 110.8186 60.6262 70.9823 174.6169 41 I 3.9054 8.2537 123.9351 60.5660 38.4080 176.7725 42 G 4.0112 8.1430 113.6488 45.7105 0.0000 170.7320 43 G 4.0291 7.6140 105.9228 45.8353 0.0000 172.2217 44 A 4.8218 8.6334 122.0724 51.9495 18.8769 178.0804 45 I 4.0081 8.7101 116.0233 61.0401 39.3763 175.3614 46 Q 4.8527 9.3540 122.6184 54.5588 30.6906 175.8725 47 V 3.8501 8.4678 122.4962 64.6169 31.8873 176.0828 48 N 4.4359 9.0317 122.4997 53.5688 35.9045 173.2135 49 E 4.6328 7.9722 120.0053 54.2318 31.5235 175.7041 50 S 4.4194 8.2709 120.4149 58.2766 65.3952 175.5722 51 T 3.7393 8.1612 113.8708 64.7626 68.5039 176.6211 52 E 3.2720 7.9543 121.0067 59.3315 29.4985 178.8554 53 D 4.2814 8.0312 118.5865 57.0807 40.7707 178.7161 54 A 4.2544 8.4274 123.1267 54.6585 18.4478 180.1089 55 V 3.6037 7.8087 117.7716 64.9109 31.4399 178.7905 56 V 3.5292 7.6521 118.9272 65.6328 31.3209 178.0241 57 R 3.8850 8.2159 118.7340 59.4088 29.8387 178.3371 58 E 3.9618 8.5876 118.8899 59.3626 29.4000 179.5080 59 V 3.5490 7.8897 118.2634 65.7366 31.6531 177.8754 60 K 4.0024 8.1002 119.3295 59.6465 31.8148 178.6159 61 E 3.9208 8.3150 117.7121 59.4972 29.5216 178.7060 62 E 4.8784 8.2468 118.4219 57.1715 29.9814 177.3705 63 L 4.4132 8.2607 117.1535 53.7640 43.3224 177.2755 64 G 3.9226 8.1153 105.8040 46.1426 0.0000 173.5921 65 V 4.7038 7.4282 110.5062 58.7436 35.4068 175.6226 66 K 4.4084 9.3530 121.6325 56.8321 33.1846 176.0037 67 A 4.9916 8.2202 122.8452 51.4340 22.4009 175.2887 68 Q 4.6576 9.0469 117.8428 53.8484 31.8546 177.3293 69 A 3.6138 8.6289 124.8715 53.6543 18.9507 179.1499 70 G 4.1636 7.7891 102.5466 44.9803 0.0000 172.2648 71 Q 4.2777 8.4463 118.0460 55.7091 30.0317 175.5154 72 L 3.8317 8.6910 126.3098 55.1737 42.2869 175.9542 73 A 3.9246 8.7799 129.2238 53.5762 20.0765 176.9145 74 F 5.4418 7.5543 112.3069 55.7699 43.9348 174.0210 75 V 4.3468 8.6054 122.1733 61.0756 33.7473 174.3001 76 V 4.5183 8.5837 128.4664 61.0177 34.2158 173.8708 77 E 5.0264 8.8114 127.9236 54.9642 30.8175 174.9884 78 N 5.0759 9.4404 123.8500 51.8387 42.0368 172.9910 79 R 5.3756 8.7661 125.0026 54.5825 32.9300 175.0118 80 F 5.0255 8.5687 116.9650 56.2749 41.9526 172.3641 81 E 5.3655 9.0118 118.5404 54.6552 31.9589 176.1105 82 V 4.4141 8.8154 122.9507 62.3396 34.1699 175.1279 83 D 4.4899 10.0965 127.5610 55.4997 38.3523 174.7844 84 G 3.9473 8.5556 105.0279 45.3256 0.0000 173.7539 85 V 4.4023 7.7306 120.6989 61.3635 33.5021 175.1208 86 S 4.8970 8.4968 124.0120 58.3806 64.4505 172.7651 87 Y 4.9144 8.8599 121.0914 56.3182 41.6768 174.3569 88 H 5.0962 9.4439 122.6375 54.8861 32.8400 171.5307 89 N 5.6673 9.5336 123.9970 51.6456 41.8677 173.9278 90 I 4.8577 8.5631 123.1144 59.9317 39.4803 174.5737 91 E 5.3297 9.3329 126.2891 54.5834 33.3848 174.8675 92 F 4.9310 9.5527 122.9676 56.2381 41.4737 174.3542 93 H 5.3199 9.2565 122.7597 54.6060 30.4778 173.6452 94 Y 4.9124 9.0118 122.1581 56.1153 40.0978 176.0627 95 L 4.6369 8.7433 125.1112 52.7214 40.2156 176.0132 96 V 4.2327 7.7979 120.6750 62.6270 33.1318 174.7922 97 D 4.9190 8.8040 127.0077 52.5678 42.3197 175.9544 98 L 4.4902 8.6455 124.2346 54.8623 42.2746 177.2455 99 L 4.6523 8.8590 121.7505 54.8423 42.4843 175.9151 100 E 4.7776 7.8377 117.1132 54.1526 33.7895 174.6218 101 D 4.4821 8.5593 119.7845 54.3785 41.4095 176.7375 102 A 4.2549 8.5890 126.1936 51.3696 19.1196 175.8162 103 P 4.6649 0.0000 0.0000 62.0876 32.5963 176.5139 104 L 4.2951 8.3611 117.6135 56.6040 42.1782 176.6316 105 T 4.5743 7.4192 106.6338 58.9776 71.4744 172.4842 *107 Q 4.2517 8.3729 117.1810 56.6124 29.9270 173.6048 108 E 4.7512 8.5471 120.5095 56.0988 32.7566 174.7163 109 D 4.4588 9.7107 124.5616 55.4989 38.6403 173.7623 110 E 3.8120 8.4867 113.3259 56.9474 27.0315 174.0900 111 K 4.5430 7.8776 118.9205 54.6121 34.1546 175.7460 112 R 4.7597 8.3698 122.6767 55.0687 31.2909 175.8511 113 Q 4.5892 8.0779 119.0526 53.2062 32.8167 172.9407 114 P 4.5090 0.0000 0.0000 63.1187 32.8259 174.7720 115 C 5.1579 8.8109 119.4253 58.3552 30.8881 173.2234 116 E 4.7705 9.0240 120.2004 54.6039 34.0982 174.5367 117 W 5.0604 8.9034 122.8493 55.6287 30.4081 175.4027 118 I 4.5265 8.7799 126.2584 58.5567 40.3295 174.4769 119 D 4.8444 8.8013 128.1783 54.4889 41.3992 177.1084 120 L 3.9275 8.5313 125.9683 58.0368 41.7410 178.6086 121 D 4.6501 8.4099 115.6928 55.0655 41.0670 176.8146 122 K 4.8016 8.0264 118.0802 55.0717 33.0824 177.9481 123 L 3.8279 7.6734 121.3040 57.7301 41.5476 178.9237 124 Q 4.1723 7.9776 113.8390 57.5805 28.5675 176.0555 125 N 4.8741 8.3004 116.6214 52.7935 39.0792 173.8916 126 I 4.4766 7.0854 111.0924 58.9865 40.9672 176.0587 127 Q 4.3188 8.2864 121.3229 55.1939 26.7721 174.6490 128 L 4.6292 7.4867 123.3570 54.5468 44.1348 176.1682 129 V 4.5568 8.1068 118.9854 58.8438 35.0443 173.8593 130 P 4.5411 0.0000 0.0000 62.2665 32.9552 176.7906 131 V 4.1947 8.2705 112.9408 61.6667 32.3159 178.3109 132 F 4.1663 8.1806 114.3647 60.0326 37.3524 177.3079 133 L 3.1267 6.5102 118.6657 57.1692 40.9828 179.3952 134 K 3.8282 7.5736 118.1059 58.9291 32.0566 178.3152 135 T 4.3298 7.5907 108.2835 63.4805 69.7707 176.6855 136 A 4.1438 8.0320 122.9460 54.4823 18.6956 179.2362 137 L 4.3227 8.0440 119.2053 57.9753 42.1140 177.5470 138 P 4.3844 0.0000 0.0000 65.5369 31.3876 176.6544 139 D 4.6381 7.8354 117.0342 54.5200 41.1660 176.5299 140 W 4.4122 8.1240 130.3263 57.7789 31.0778 175.2442 141 E 4.2921 8.0891 122.9010 55.9651 29.6039 177.0063 142 G 2.9857 5.7030 106.7167 44.5765 0.0000 173.6073 143 Q 4.4587 6.1000 117.6455 53.0429 31.3678 174.9405 144 L 4.2970 8.6554 123.5550 56.3340 42.6009 176.3533 145 R 4.8433 9.1066 124.2054 54.6631 34.0629 173.8475 146 H 5.2318 8.9040 122.5620 55.1764 31.2558 174.0372 147 I 4.1616 8.5240 127.6308 59.9355 38.5091 174.9696 148 H 4.9702 8.0681 122.7367 53.6394 30.7946 174.8877 149 L 4.1779 8.4043 121.4601 54.9507 42.3179 177.9367 150 E 4.2104 8.6352 116.7259 56.3096 29.6961 176.4620 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 T 8.17 4.32 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 3 Q 8.41 4.26 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.90 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 4 Q 9.12 4.17 0.00 2.15 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.09 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 5 D 8.61 4.73 0.00 2.62 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 6 F 9.16 4.53 0.00 3.19 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 7.51 5.09 0.00 1.88 1.74 0.00 3.31 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.66 0.00 8 T 8.43 4.50 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 1.02 0.00 0.00 9 K 8.44 4.79 0.00 1.56 1.59 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.26 1.44 7.81 10 V 8.51 4.46 2.33 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 1.01 0.00 0.00 1.15 0.00 0.00 11 D 8.56 4.22 0.00 2.84 1.74 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 12 N 8.87 5.02 0.00 2.75 2.69 0.00 0.00 6.65 7.22 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 13 T 8.08 4.99 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 1.29 0.00 0.00 14 V 8.45 4.77 1.42 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 1.09 0.00 0.00 0.62 0.00 0.00 15 F 8.54 5.43 0.00 3.12 3.05 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 16 G 8.39 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.22 4.94 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 0.93 0.00 0.00 0.14 0.00 0.00 18 R 9.40 5.17 0.00 1.95 1.83 0.00 3.19 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 19 A 9.05 5.39 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 20 T 9.25 4.95 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 1.07 0.00 0.00 21 A 9.10 4.71 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 22 L 8.99 4.35 0.00 1.66 1.61 1.06 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.88 4.36 1.78 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.72 1.16 0.00 0.00 24 V 8.53 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 0.94 0.00 0.00 0.96 0.00 0.00 25 Q 9.13 4.47 0.00 1.26 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.02 0.00 0.00 0.00 0.00 0.00 2.24 2.45 0.00 26 N 9.61 4.14 0.00 2.64 2.77 0.00 0.00 6.99 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 27 H 8.41 4.17 0.00 3.39 3.38 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.01 5.24 0.00 2.04 1.93 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.58 7.81 29 L 9.02 5.06 0.00 1.71 1.49 0.94 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.54 4.00 0.00 0.27 1.00 -0.32 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.82 4.67 2.28 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 0.60 0.00 0.00 0.98 0.00 0.00 32 T 9.04 5.05 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 1.31 0.00 0.00 33 K 8.05 4.61 0.00 1.23 1.38 0.00 1.61 0.00 0.00 1.43 0.00 0.00 2.64 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.90 0.21 7.81 34 D 9.26 4.32 0.00 2.78 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 35 K 9.77 4.01 0.00 1.91 1.81 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.40 7.81 36 G 7.97 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 37 K 7.48 4.64 0.00 1.67 1.24 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.38 7.81 38 Y 8.55 4.99 0.00 2.61 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 39 Y 9.36 5.29 0.00 2.76 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.42 4.66 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 1.15 0.00 0.00 41 I 8.25 3.91 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.68 0.95 0.00 0.00 42 G 8.14 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 0.00 0.00 0.00 43 G 7.61 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 44 A 8.63 4.82 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 45 I 8.71 4.01 1.86 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.21 0.89 0.00 0.00 46 Q 9.35 4.85 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.02 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 47 V 8.47 3.85 2.03 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 0.64 0.00 0.00 0.75 0.00 0.00 48 N 9.03 4.44 0.00 2.94 2.98 0.00 0.00 6.89 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 49 E 7.97 4.63 0.00 2.02 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 2.19 2.20 0.00 50 S 8.27 4.42 0.00 4.18 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 51 T 8.16 3.74 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 0.11 0.00 0.00 52 E 7.95 3.27 0.00 1.95 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 2.31 2.11 0.00 53 D 8.03 4.28 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 54 A 8.43 4.25 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 55 V 7.81 3.60 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 0.48 0.00 0.00 1.02 0.00 0.00 56 V 7.65 3.53 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 1.01 0.00 0.00 0.91 0.00 0.00 57 R 8.22 3.89 0.00 1.92 2.10 0.00 3.26 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 58 E 8.59 3.96 0.00 2.13 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 2.51 2.47 0.00 59 V 7.89 3.55 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 1.11 0.00 0.00 0.98 0.00 0.00 60 K 8.10 4.00 0.00 1.86 1.98 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 61 E 8.32 3.92 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 62 E 8.25 4.88 0.00 1.98 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 2.46 2.26 0.00 63 L 8.26 4.41 0.00 1.72 1.69 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.12 3.92 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 0.00 0.00 0.00 65 V 7.43 4.70 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 0.88 0.00 0.00 0.95 0.00 0.00 66 K 9.35 4.41 0.00 1.67 1.72 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.56 7.81 67 A 8.22 4.99 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 68 Q 9.05 4.66 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 69 A 8.63 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.79 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 0.00 0.00 0.00 71 Q 8.45 4.28 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 7.05 0.00 0.00 0.00 0.00 0.00 2.58 2.46 0.00 72 L 8.69 3.83 0.00 1.43 1.54 0.36 1.13 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 73 A 8.78 3.92 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 F 7.55 5.44 0.00 2.86 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 75 V 8.61 4.35 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 0.56 0.00 0.00 0.50 0.00 0.00 76 V 8.58 4.52 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 0.54 0.00 0.00 0.34 0.00 0.00 77 E 8.81 5.03 0.00 1.86 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 2.30 2.26 0.00 78 N 9.44 5.08 0.00 2.88 2.86 0.00 0.00 6.57 7.86 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 79 R 8.77 5.38 0.00 1.75 1.83 0.00 3.25 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.52 0.00 80 F 8.57 5.03 0.00 3.14 3.15 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 81 E 9.01 5.37 0.00 1.96 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 2.29 2.27 0.00 82 V 8.82 4.41 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 1.15 0.00 0.00 1.08 0.00 0.00 83 D 10.10 4.49 0.00 2.90 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 84 G 8.56 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 0.00 0.00 0.00 85 V 7.73 4.40 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 0.54 0.00 0.00 0.94 0.00 0.00 86 S 8.50 4.90 0.00 3.75 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 87 Y 8.86 4.91 0.00 1.43 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 0.00 0.00 0.00 0.00 88 H 9.44 5.10 0.00 3.15 3.19 0.00 5.56 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 N 9.53 5.67 0.00 2.89 2.83 0.00 0.00 6.58 7.10 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 90 I 8.56 4.86 1.91 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 1.24 0.92 0.86 0.00 0.00 91 E 9.33 5.33 0.00 1.97 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 2.34 2.36 0.00 92 F 9.55 4.93 0.00 3.01 2.97 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 93 H 9.26 5.32 0.00 3.45 3.44 0.00 5.78 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 9.01 4.91 0.00 2.90 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 95 L 8.74 4.64 0.00 1.47 1.57 0.08 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 96 V 7.80 4.23 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 1.18 0.00 0.00 1.02 0.00 0.00 97 D 8.80 4.92 0.00 2.66 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 98 L 8.65 4.49 0.00 1.62 1.82 1.10 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.86 4.65 0.00 1.62 1.70 0.92 0.99 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 0.00 100 E 7.84 4.78 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 2.22 2.33 0.00 101 D 8.56 4.48 0.00 2.70 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 0.00 102 A 8.59 4.25 1.56 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 0.00 103 P 0.00 4.66 0.00 2.31 2.10 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 2.10 2.26 0.00 104 L 8.36 4.30 0.00 1.80 1.77 0.97 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 105 T 7.42 4.57 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 *107 Q 8.37 4.25 0.00 2.26 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.66 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 108 E 8.55 4.75 0.00 1.93 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 2.16 2.24 0.00 109 D 9.71 4.46 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 0.00 110 E 8.49 3.81 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 111 K 7.88 4.54 0.00 1.85 1.65 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.46 7.81 112 R 8.37 4.76 0.00 1.75 1.82 0.00 3.18 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 113 Q 8.08 4.59 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 7.08 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 114 P 0.00 4.51 0.00 2.10 2.16 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 115 C 8.81 5.16 0.00 2.72 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 E 9.02 4.77 0.00 1.93 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 2.29 2.34 0.00 117 W 8.90 5.06 0.00 3.17 3.15 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 0.00 118 I 8.78 4.53 1.77 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.42 0.83 0.00 0.00 119 D 8.80 4.84 0.00 2.82 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 0.00 120 L 8.53 3.93 0.00 1.58 1.67 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 121 D 8.41 4.65 0.00 2.80 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 0.00 122 K 8.03 4.80 0.00 1.81 1.72 0.00 1.67 0.00 0.00 1.90 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.46 7.81 123 L 7.67 3.83 0.00 1.63 1.59 0.83 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 7.98 4.17 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.20 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 125 N 8.30 4.87 0.00 2.87 2.78 0.00 0.00 6.42 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 0.00 126 I 7.09 4.48 1.17 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 1.17 0.38 0.46 0.00 0.00 127 Q 8.29 4.32 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.12 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 128 L 7.49 4.63 0.00 1.59 1.36 0.86 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 129 V 8.11 4.56 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.59 0.00 0.00 130 P 0.00 4.54 0.00 2.35 2.10 0.00 3.57 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 1.95 2.13 0.00 131 V 8.27 4.19 2.03 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 0.78 0.00 0.00 0.93 0.00 0.00 132 F 8.18 4.17 0.00 3.05 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 0.00 133 L 6.51 3.13 0.00 1.34 1.37 0.71 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 134 K 7.57 3.83 0.00 1.75 1.80 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.29 7.81 135 T 7.59 4.33 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 1.20 0.00 0.00 136 A 8.03 4.14 1.42 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 0.00 137 L 8.04 4.32 0.00 1.77 1.75 0.95 0.68 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 0.00 138 P 0.00 4.38 0.00 2.25 2.33 0.00 3.93 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 2.15 2.05 0.00 139 D 7.84 4.64 0.00 2.84 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 W 8.12 4.41 0.00 3.57 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 E 8.09 4.29 0.00 1.68 1.68 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 2.12 2.38 0.00 142 G 5.70 2.99 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 0.00 0.00 0.00 0.00 0.00 0.00 143 Q 6.10 4.46 0.00 1.82 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 144 L 8.66 4.30 0.00 1.70 1.66 0.98 0.91 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 0.00 145 R 9.11 4.84 0.00 2.19 2.01 0.00 3.31 0.00 0.00 3.53 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 146 H 8.90 5.23 0.00 3.11 3.21 0.00 5.72 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 I 8.52 4.16 1.18 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 0.90 -0.36 0.17 0.00 0.00 148 H 8.07 4.97 0.00 3.01 3.08 0.00 5.72 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 L 8.40 4.18 0.00 1.66 1.63 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 150 E 8.64 4.21 0.00 1.99 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.87 0.00 * Residues marked with a * may have inaccurate shift predictions.