NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7104 8.2833 119.7063 52.6110 38.8105 170.8949 3 I 5.2215 7.3944 121.5661 57.9633 39.9591 173.5325 4 G 2.7143 8.3965 114.8740 44.1674 0.0000 171.3490 5 V 4.6361 8.5138 122.1361 60.8907 33.9323 174.4918 6 I 4.3405 8.3928 129.4538 59.9148 39.0704 175.1994 7 I 4.4935 8.2373 130.0753 59.5245 38.2577 175.5784 8 L 4.4045 8.9939 129.3658 54.5458 42.1070 177.4324 9 A 4.6206 8.9401 124.8343 51.6787 19.5609 176.3286 10 A 4.3569 8.1417 120.2038 54.4255 19.9826 178.9624 11 G 4.1130 7.5830 105.3617 45.6151 0.0000 172.4958 *19 D 3.9733 8.3145 123.7695 52.9367 42.4488 178.6127 20 K 3.9842 7.6742 118.9738 59.3926 32.8516 178.7245 21 L 3.9954 7.8322 118.8421 56.8253 41.6571 178.5125 22 L 4.1509 7.4589 116.9242 55.7790 42.4050 177.2608 23 A 4.0661 7.7366 121.9380 52.3858 18.8424 176.4958 24 K 4.8942 8.2715 119.4259 54.9242 33.8333 176.8015 25 I 4.2630 8.4048 125.2380 60.8880 38.8669 176.3121 26 D 4.2015 9.3653 126.6785 54.4761 36.5734 171.5211 27 N 4.5950 8.5009 115.4597 53.8873 36.7717 174.8687 28 T 4.6684 7.3179 108.3021 58.6403 71.4692 172.0188 29 P 4.7541 0.0000 0.0000 62.7970 32.2656 176.7826 30 I 3.7770 8.3947 122.7130 64.6799 37.4143 180.0959 31 I 3.9728 7.6133 120.2817 60.9934 37.3933 177.9814 *33 R 4.2404 8.2233 118.5970 56.1513 31.7428 178.1257 34 T 3.9279 7.9023 113.1089 66.7910 68.5728 176.2915 35 I 4.0637 7.7686 121.4951 64.1312 37.1185 178.2886 36 R 3.9172 7.7669 118.5731 59.5214 29.7502 178.7267 37 I 3.5145 7.8177 116.2518 63.7462 38.1803 176.1593 38 Y 4.3042 8.1521 115.6008 57.0782 38.3390 176.8847 39 G 3.8136 8.7087 113.0816 47.6886 0.0000 174.7956 40 D 4.7657 8.7286 122.9084 53.3236 39.4469 174.7784 41 L 4.2580 7.5438 119.5173 55.1609 42.3353 176.5690 42 E 4.3422 8.7694 122.9100 56.7483 30.3502 175.6084 43 K 5.4859 8.6447 125.4153 55.6363 36.1756 174.9563 44 I 4.8878 8.6439 114.1127 59.1921 41.8624 173.8355 45 I 5.0121 8.1846 114.8803 59.2511 40.8628 174.0210 46 I 4.9103 8.5358 126.5250 59.8674 39.3208 175.2480 47 V 4.8463 8.6427 119.1952 59.6904 36.4270 176.8386 48 G 4.1172 8.4953 112.9027 45.2010 0.0000 175.2064 49 K 2.4800 7.9480 124.6498 58.4052 31.8365 175.5090 50 Y 4.8315 7.4495 114.7025 56.4494 38.5986 177.9938 51 V 3.6592 7.8032 122.0500 65.0835 31.3590 177.2551 52 N 4.3796 8.0845 116.4456 55.7083 38.3874 175.2456 53 E 4.3680 7.9875 116.8794 56.6042 29.9608 177.8845 *55 L 4.2645 7.9886 122.5995 54.7095 43.6031 176.9342 56 P 3.6619 0.0000 0.0000 65.1282 31.2562 176.7953 57 L 4.4352 7.7951 115.2597 54.1875 41.9732 176.1052 58 L 4.5596 8.6225 121.0298 53.1162 43.4566 176.3756 *60 D 4.6445 8.5948 122.2653 52.5694 40.8456 175.1034 61 Q 4.5506 8.2302 117.3747 54.2676 33.0424 174.7663 62 I 3.9543 8.1469 120.8012 61.2328 38.1507 175.0474 63 V 4.7174 8.3114 127.4865 61.0674 33.6446 174.4874 64 I 4.3939 8.2825 129.0033 59.8094 39.1996 173.9280 65 Y 4.9325 8.5958 128.6714 56.4494 39.9309 173.9073 66 N 4.5353 8.2432 126.7877 51.4506 39.1769 173.3011 67 P 4.0283 0.0000 0.0000 64.4480 31.9150 176.6402 68 F 4.8228 8.1240 119.1854 56.8197 39.2188 178.0234 69 W 4.2460 7.8745 120.7596 59.4841 28.0039 177.2518 70 N 4.4872 7.1102 115.8053 55.3556 38.3331 175.0993 71 E 4.1109 8.0959 117.1386 56.5265 30.3102 176.1296 72 G 4.0596 7.9867 105.2016 43.8587 0.0000 174.6277 73 I 3.6940 9.1673 120.7902 64.2411 37.5832 178.3752 74 S 4.1696 8.0707 115.0148 61.4306 62.8109 176.5941 75 T 3.8433 7.9845 113.5224 64.7605 68.5197 176.7769 76 S 4.1281 8.0168 117.6038 61.1783 62.9438 176.2838 77 L 3.9518 7.9260 123.0766 58.0264 41.8332 179.1732 78 K 3.9502 8.3239 118.8160 59.1826 31.7255 179.1396 79 L 4.0667 7.8649 119.9292 58.2265 42.5062 179.0793 80 G 3.6775 8.1903 105.5370 47.3564 0.0000 175.5395 81 L 3.9742 7.9642 122.7439 57.9197 41.8278 178.9224 82 R 4.0144 7.8876 117.8478 58.7634 30.0657 177.6284 83 F 4.2566 7.8048 118.7893 59.3567 39.5190 175.3322 84 F 4.7583 7.9391 119.5715 57.5824 39.8539 177.7809 85 K 4.2712 8.7610 127.1031 58.0868 31.5545 180.7929 86 D 4.7671 8.2751 114.3760 54.9122 40.6301 180.5804 87 Y 4.3397 8.0744 115.0691 58.7781 38.7144 176.4882 88 D 4.6396 9.6863 121.1344 57.5003 41.9128 176.6254 89 A 5.0217 7.7210 116.9739 51.2030 22.7309 175.4262 90 V 4.6243 8.9634 112.5987 59.4985 35.7801 174.9561 91 L 4.8332 8.6936 126.6975 53.4737 43.2293 175.4656 92 V 4.3639 8.4984 127.9959 62.2673 32.5554 174.6546 93 A 4.8570 9.0459 130.0331 50.0671 22.6899 174.4465 94 L 4.8575 8.2825 119.5147 52.8851 43.8242 177.7577 95 G 3.7880 9.2579 111.3195 47.3046 0.0000 174.1312 96 D 4.6712 7.4314 122.2687 51.2514 37.9914 175.3176 *98 P 4.2198 0.0000 0.0000 62.8678 33.1698 177.8327 99 F 4.7996 7.4344 116.1493 57.3795 39.8637 175.8575 100 V 3.8604 7.6713 120.6866 63.0441 32.1996 175.3195 101 T 4.6663 8.4287 114.0905 59.4248 72.5344 175.3050 102 K 3.7901 8.5033 122.0458 59.6774 32.0600 179.2901 103 E 3.9600 8.0904 117.2843 59.5176 29.4708 178.6839 104 D 4.3286 8.1324 120.0707 57.0229 40.8328 178.9137 105 V 3.5257 7.6930 118.3868 66.2087 31.4796 177.4580 106 N 4.2794 8.0889 116.0437 56.5390 38.4336 177.3621 107 K 3.9596 8.0346 119.4464 59.6610 31.9347 179.2192 108 I 3.7470 7.4750 118.8764 64.5304 37.5385 178.3091 109 I 3.8656 8.2062 114.1436 64.0317 37.1290 177.7511 110 N 4.4073 8.4215 118.6248 56.7373 38.9445 176.6782 111 T 4.2919 7.9547 115.4867 64.3680 68.6078 173.9920 112 F 4.4659 7.9589 125.2201 59.0611 39.0018 174.7363 113 K 4.4961 8.0472 129.1435 51.2694 34.9849 172.4797 114 P 4.1334 0.0000 0.0000 66.9821 31.2097 178.2598 115 N 4.4106 7.9462 115.5965 54.8631 37.8670 181.0467 116 C 4.6413 7.8546 116.7292 57.1711 38.8119 173.7576 117 K 4.2224 9.4235 124.9549 57.5918 32.6645 176.7399 118 A 4.5925 7.4787 119.0431 50.9901 22.6295 175.1915 119 V 4.6324 8.6191 121.8055 61.2390 34.1381 174.3143 120 I 4.7935 8.4195 129.5237 58.8457 39.6118 173.5897 121 P 4.7453 0.0000 0.0000 62.8374 32.4952 175.2430 122 T 5.1614 8.9031 117.7600 60.9384 71.2502 172.6112 123 H 5.1196 8.9801 127.5544 54.3646 31.9721 173.2269 124 K 3.5976 9.8124 129.0709 57.2905 29.2605 178.2070 125 G 3.9961 8.1310 105.9032 46.0143 0.0000 173.1115 126 E 4.1108 7.8370 120.4827 56.0061 30.0424 175.8910 127 R 4.8799 8.5630 123.0709 55.0064 31.8506 175.7927 128 G 4.3886 9.3061 115.5997 45.0229 0.0000 171.2642 129 N 5.3147 8.5473 118.6472 50.5748 43.7087 172.1795 130 P 4.7857 0.0000 0.0000 62.2539 32.5987 175.8419 131 V 4.1150 8.3766 123.6481 62.0542 33.2833 174.2949 132 L 4.7439 8.7789 130.8185 54.2449 42.9153 174.9221 133 I 4.7458 8.6824 128.9261 59.8408 39.4321 175.9891 134 S 4.8803 8.5096 123.0405 57.8356 64.9743 175.8259 135 K 2.0000 8.6298 126.2001 59.6248 30.9013 180.1447 136 S 4.3267 7.9538 113.5081 61.6556 63.0483 176.3113 137 L 4.2542 8.0964 121.1767 56.0418 41.4449 178.9153 138 F 4.1097 8.3920 118.7659 61.0060 38.6892 177.4071 139 N 4.4765 8.4022 116.2714 56.9591 38.7368 177.3229 140 E 4.1608 8.2031 119.2170 61.4005 29.8362 180.7812 141 I 4.0403 8.3080 122.4306 64.2002 37.8112 178.1745 142 E 4.2167 7.9503 120.0064 60.5240 29.6449 182.6553 143 K 4.4445 7.6830 120.5075 57.6328 32.3874 182.8163 144 L 4.4309 7.0800 117.7690 55.7786 41.8927 176.7480 145 R 4.5990 7.8778 118.9053 55.5516 35.1402 176.3622 146 G 3.9766 8.5017 107.5114 46.0106 0.0000 174.2094 147 D 5.2383 8.3734 115.7028 54.1110 41.2642 178.8430 148 V 3.6859 6.7526 110.0386 62.0122 32.4460 177.8792 149 G 3.9904 8.0188 104.5586 44.8924 0.0000 173.9698 150 A 4.0022 8.6128 121.1336 54.9254 17.9266 180.1152 151 R 3.9273 8.0684 113.8280 58.9552 29.0207 179.0532 152 V 3.6673 7.3295 119.0710 66.0863 31.7838 177.6110 153 I 3.9417 7.9532 119.7617 64.2134 35.6621 178.1143 154 L 4.0018 8.0384 119.3884 58.1930 41.1755 179.2928 155 N 4.6941 7.8803 116.6720 56.4631 38.4787 178.0653 156 K 4.1440 7.9209 124.9267 58.8740 32.2859 180.7454 157 I 4.0120 6.5348 112.8983 61.1771 38.2333 176.3829 158 K 4.3575 8.3374 123.2483 53.6455 32.8021 178.3708 159 I 3.7642 8.6901 124.6978 64.5775 37.8745 177.9005 160 E 4.3468 8.2671 115.1989 57.9931 29.5468 181.3156 161 E 4.7361 8.4121 116.0200 57.5599 32.6133 179.4458 162 L 4.8909 7.7997 123.7824 53.7841 42.6287 174.7998 163 C 4.4444 8.5383 121.5723 56.4679 41.5134 172.4960 164 F 5.6942 8.3123 119.8359 55.1957 42.8374 174.8185 165 I 4.2700 8.1899 118.5355 60.1381 40.9914 173.3476 166 E 4.6172 9.0760 129.7111 57.7908 30.4470 176.1735 167 C 5.3925 9.5787 122.2762 57.8963 32.6819 173.4436 168 S 4.4102 9.2976 117.5657 58.6621 63.5787 175.3457 169 E 3.9705 8.4424 118.2939 59.5521 29.1769 176.7057 170 G 3.9750 7.8590 106.2169 48.1366 0.0000 175.9334 171 V 4.0906 7.6055 121.3973 64.4077 31.2273 177.0819 172 L 4.5624 7.8683 116.6364 53.7341 43.2150 176.1577 173 I 4.4668 7.0177 112.7146 59.0810 39.2485 174.2005 174 D 5.2347 8.4493 121.2550 51.7815 42.7600 174.0172 175 I 4.7036 8.5183 118.6986 59.6974 40.6840 173.4985 176 D 4.7759 8.3767 124.7319 53.4561 44.5557 173.7435 177 K 4.6927 8.5227 118.0496 54.3457 35.3720 175.7810 178 K 4.4504 8.4560 122.6962 55.0624 33.6125 177.3201 179 E 4.1542 9.0138 118.7537 56.5587 29.4526 173.7181 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 N 8.28 4.71 0.00 2.43 2.81 0.00 0.00 6.54 6.71 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 3 I 7.39 5.22 1.89 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.69 0.87 0.00 0.00 4 G 8.40 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 0.00 0.00 0.00 5 V 8.51 4.64 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 0.57 0.00 0.00 0.92 0.00 0.00 6 I 8.39 4.34 1.82 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 1.47 0.52 0.88 0.00 0.00 7 I 8.24 4.49 1.75 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.33 0.81 0.00 0.00 8 L 8.99 4.40 0.00 1.53 1.60 0.90 0.67 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 9 A 8.94 4.62 1.22 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 10 A 8.14 4.36 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 11 G 7.58 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 *19 D 8.31 3.97 0.00 2.64 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 20 K 7.67 3.98 0.00 1.87 2.04 0.00 1.46 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.41 7.81 21 L 7.83 4.00 0.00 1.69 1.71 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.46 4.15 0.00 1.58 1.66 0.84 0.51 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 23 A 7.74 4.07 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 24 K 8.27 4.89 0.00 1.74 1.73 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.42 7.81 25 I 8.40 4.26 1.87 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 0.98 1.00 0.00 0.00 26 D 9.37 4.20 0.00 2.86 2.60 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 27 N 8.50 4.60 0.00 2.89 3.03 0.00 0.00 6.97 7.54 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 28 T 7.32 4.67 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 1.26 0.00 0.00 29 P 0.00 4.75 0.00 2.03 2.00 0.00 3.66 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 2.01 2.09 0.00 30 I 8.39 3.78 1.94 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 1.13 0.92 0.80 0.00 0.00 31 I 7.61 3.97 1.83 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 1.27 1.20 0.95 0.00 0.00 *33 R 8.22 4.24 0.00 1.96 1.90 0.00 3.32 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 34 T 7.90 3.93 4.38 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 1.33 0.00 0.00 35 I 7.77 4.06 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.03 0.94 0.00 0.00 36 R 7.77 3.92 0.00 1.98 1.99 0.00 3.31 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 37 I 7.82 3.51 1.68 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 -0.36 0.99 0.00 0.00 38 Y 8.15 4.30 0.00 3.16 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 39 G 8.71 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 40 D 8.73 4.77 0.00 2.71 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 41 L 7.54 4.26 0.00 1.85 1.69 1.11 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.77 4.34 0.00 2.18 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 2.59 2.61 0.00 43 K 8.64 5.49 0.00 1.79 1.72 0.00 1.56 0.00 0.00 1.79 0.00 0.00 3.24 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.44 7.81 44 I 8.64 4.89 1.46 0.00 0.00 0.43 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 0.76 -0.15 0.00 0.00 45 I 8.18 5.01 1.80 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 1.18 0.61 0.85 0.00 0.00 46 I 8.54 4.91 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.66 0.92 0.00 0.00 47 V 8.64 4.85 2.10 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 0.73 0.00 0.00 1.02 0.00 0.00 48 G 8.50 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 49 K 7.95 2.48 0.00 0.79 0.74 0.00 1.24 0.00 0.00 0.77 0.00 0.00 2.40 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.30 0.21 7.81 50 Y 7.45 4.83 0.00 2.97 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 51 V 7.80 3.66 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 0.40 0.00 0.00 0.83 0.00 0.00 52 N 8.08 4.38 0.00 2.69 2.89 0.00 0.00 6.88 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 53 E 7.99 4.37 0.00 2.06 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 2.31 2.30 0.00 *55 L 7.99 4.26 0.00 1.93 1.66 0.90 0.92 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 56 P 0.00 3.66 0.00 2.06 2.11 0.00 3.82 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 2.08 2.11 0.00 57 L 7.80 4.44 0.00 1.60 1.66 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.62 4.56 0.00 1.55 1.53 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 *60 D 8.59 4.64 0.00 2.81 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 8.23 4.55 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.53 6.94 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 62 I 8.15 3.95 1.66 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.11 0.62 0.00 0.00 63 V 8.31 4.72 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 0.80 0.00 0.00 0.92 0.00 0.00 64 I 8.28 4.39 1.76 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.46 0.87 0.00 0.00 65 Y 8.60 4.93 0.00 2.89 2.86 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 66 N 8.24 4.54 0.00 2.63 2.57 0.00 0.00 7.28 8.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.03 0.00 1.56 1.90 0.00 3.26 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.30 0.00 68 F 8.12 4.82 0.00 3.09 3.08 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 69 W 7.87 4.25 0.00 3.47 3.20 0.00 0.00 0.00 0.00 0.00 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0.00 2.68 2.60 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 87 Y 8.07 4.34 0.00 3.12 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 88 D 9.69 4.64 0.00 2.78 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 89 A 7.72 5.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.96 4.62 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 0.53 0.00 0.00 0.78 0.00 0.00 91 L 8.69 4.83 0.00 1.63 1.46 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.50 4.36 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 0.91 0.00 0.00 93 A 9.05 4.86 0.85 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 0.00 0.00 94 L 8.28 4.86 0.00 1.65 1.79 0.91 1.03 0.00 0.00 0.00 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112 F 7.96 4.47 0.00 2.91 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 0.00 113 K 8.05 4.50 0.00 1.68 1.62 0.00 1.85 0.00 0.00 1.87 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 0.95 7.81 114 P 0.00 4.13 0.00 2.07 2.09 0.00 3.59 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 1.89 1.88 0.00 115 N 7.95 4.41 0.00 2.77 2.77 0.00 0.00 6.72 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 0.00 116 C 7.85 4.64 0.00 3.23 3.33 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 0.00 117 K 9.42 4.22 0.00 1.77 1.88 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.41 7.81 118 A 7.48 4.59 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 V 8.62 4.63 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 1.08 0.00 0.00 1.04 0.00 0.00 120 I 8.42 4.79 2.12 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.10 4.25 0.00 2.08 1.84 1.02 0.94 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 0.00 138 F 8.39 4.11 0.00 3.26 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 0.00 139 N 8.40 4.48 0.00 2.75 2.92 0.00 0.00 6.76 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 0.00 140 E 8.20 4.16 0.00 1.97 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 1.95 0.00 141 I 8.31 4.04 1.85 0.00 0.00 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 1.34 1.36 0.93 0.00 0.00 142 E 7.95 4.22 0.00 2.12 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 2.26 2.19 0.00 143 K 7.68 4.44 0.00 1.87 1.74 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.37 1.34 7.81 144 L 7.08 4.43 0.00 1.78 1.61 0.94 0.62 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 0.00 145 R 7.88 4.60 0.00 1.77 1.71 0.00 3.17 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 146 G 8.50 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 0.00 147 D 8.37 5.24 0.00 2.65 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 0.00 148 V 6.75 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 0.73 0.00 0.00 0.95 0.00 0.00 149 G 8.02 3.99 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 0.00 150 A 8.61 4.00 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 0.00 151 R 8.07 3.93 0.00 2.07 2.24 0.00 2.99 0.00 0.00 3.28 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 152 V 7.33 3.67 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 0.86 0.00 0.00 1.04 0.00 0.00 153 I 7.95 3.94 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.43 0.94 0.00 0.00 154 L 8.04 4.00 0.00 1.72 1.78 0.95 0.74 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 0.00 155 N 7.88 4.69 0.00 2.91 2.91 0.00 0.00 6.92 7.49 0.00 0.00 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 7.92 4.14 0.00 1.86 1.73 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.39 1.32 7.81 157 I 6.53 4.01 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.02 0.99 0.00 0.00 158 K 8.34 4.36 0.00 1.70 1.72 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 0.99 7.81 159 I 8.69 3.76 1.96 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.12 0.96 0.00 0.00 160 E 8.27 4.35 0.00 2.03 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 2.23 1.88 0.00 161 E 8.41 4.74 0.00 1.61 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 2.14 2.13 0.00 162 L 7.80 4.89 0.00 1.50 1.47 0.81 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 163 C 8.54 4.44 0.00 2.88 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 0.00 164 F 8.31 5.69 0.00 2.94 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 0.00 165 I 8.19 4.27 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 1.40 1.41 0.97 0.00 0.00 166 E 9.08 4.62 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.31 0.00 167 C 9.58 5.39 0.00 2.70 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 0.00 168 S 9.30 4.41 0.00 3.96 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 0.00 169 E 8.44 3.97 0.00 2.00 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 2.31 1.94 0.00 170 G 7.86 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 0.00 171 V 7.61 4.09 2.26 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 1.47 0.00 0.00 0.96 0.00 0.00 172 L 7.87 4.56 0.00 1.82 1.70 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 173 I 7.02 4.47 1.99 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.88 0.90 0.00 0.00 174 D 8.45 5.23 0.00 2.91 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 0.00 175 I 8.52 4.70 1.96 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 1.15 1.04 0.94 0.00 0.00 176 D 8.38 4.78 0.00 2.69 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 K 8.52 4.69 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 2.77 0.00 0.00 0.00 0.00 1.30 1.37 7.81 178 K 8.46 4.45 0.00 1.73 1.73 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.41 7.81 179 E 9.01 4.15 0.00 1.98 1.76 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 2.24 1.91 0.00 * Residues marked with a * may have inaccurate shift predictions.