NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 Y 4.6042 8.1444 118.8812 56.6383 39.5066 174.6603 9 D 4.4580 8.5136 121.4688 51.8558 42.1909 172.3788 10 V 4.0096 9.4210 129.3010 64.9609 31.8777 178.0415 11 K 4.0115 8.2522 118.7652 59.2159 32.0102 178.7163 12 E 3.9843 8.1330 118.0742 59.1500 29.4825 178.7663 13 A 4.0320 8.5903 121.3131 54.9322 18.3563 179.2422 14 L 3.8592 8.0994 118.9389 58.3723 42.1564 179.1377 15 V 3.5884 7.7932 118.0882 66.0979 31.1615 177.6200 16 F 4.2216 8.1055 118.9206 61.7183 39.4079 176.9378 17 T 3.6994 7.9640 108.4192 64.6169 68.7665 176.0024 18 Q 4.1319 8.3603 120.7897 58.5218 28.6403 178.4711 19 K 3.6844 7.9530 117.9600 57.0654 31.8438 177.9499 *21 A 4.1893 7.9134 122.2025 51.8402 20.6925 179.6863 22 Q 3.9388 8.0967 116.2778 59.3397 29.0144 178.3851 23 L 4.0141 8.0850 120.2101 57.8822 41.6549 179.5084 24 S 4.1371 7.9887 112.6575 61.1562 62.3803 175.9353 25 K 4.0630 8.4496 122.4392 59.3351 31.9935 178.6189 26 A 3.9994 8.0963 121.0763 55.0802 18.3375 179.3188 27 L 3.9119 8.2205 118.9443 58.1662 42.2273 178.9387 28 W 4.4407 8.3277 128.2651 60.5971 30.6885 178.0164 29 K 3.7041 8.3334 118.5182 59.2959 31.4699 179.2676 30 S 4.0263 7.8808 112.9279 61.3626 62.2992 176.3462 31 I 3.6413 7.5952 122.4291 64.3312 36.8161 177.7614 32 E 3.5422 7.5023 120.5089 59.1268 29.1998 178.9245 33 K 3.8967 7.8283 119.2664 59.7106 32.3428 178.4985 34 D 4.4305 8.0238 119.0995 57.1321 40.7795 178.7096 35 W 4.6564 8.8268 129.6234 60.6701 30.5710 178.1472 36 Q 4.1206 8.4816 117.0355 59.1315 28.4003 178.1710 37 Q 4.1983 8.3026 120.1160 58.7181 28.6224 178.2424 38 W 4.6863 8.1625 127.8443 60.9098 30.9589 177.3515 39 L 4.3243 8.0194 116.2030 55.5636 41.3059 178.7718 40 K 3.9654 8.0828 120.6553 59.1434 31.9911 176.7261 41 P 4.3374 0.0000 0.0000 64.6218 31.3398 176.9840 42 Y 4.3069 8.0802 113.9852 56.5897 39.0197 174.5301 43 D 4.4112 7.7438 118.5250 55.4435 40.4116 172.9705 44 L 4.9265 7.7898 115.8291 52.8013 44.7682 177.2235 45 N 4.6931 8.6224 120.6557 51.6623 40.3520 176.4510 46 I 2.9613 7.6737 120.1168 64.3218 36.8703 178.3950 47 N 4.1114 7.5139 116.7658 56.0055 38.2070 177.0975 48 E 3.8755 7.5354 119.4242 59.7464 29.7116 178.5747 49 H 4.2685 8.1724 118.0934 59.7193 29.8122 176.5887 50 H 4.5288 8.6370 120.1194 59.4565 29.7139 177.2110 51 I 3.7494 8.1089 121.7054 64.5092 36.9050 178.3206 52 L 3.9630 8.2680 119.9500 57.4922 41.4239 179.4220 53 W 3.7986 8.9391 128.5106 60.6087 30.7633 178.1387 54 I 3.8298 8.3377 119.7627 64.3849 36.5060 178.3783 55 A 4.0165 8.2006 121.7139 54.9774 17.7040 178.9327 56 Y 3.7404 8.0258 118.4320 60.9806 38.5696 178.3112 57 Q 3.9311 8.4490 119.3083 58.5605 29.2933 177.2113 58 L 4.3127 7.7449 116.6766 53.2924 43.0529 175.8383 59 N 3.9202 8.5913 114.8931 54.0985 36.1580 175.2808 60 G 3.9911 9.9709 103.9652 46.2168 0.0000 172.3814 61 A 4.9660 8.7070 123.6089 49.4559 22.6943 176.1165 62 S 4.3858 9.0016 115.8697 57.3843 65.5115 175.6528 63 I 3.7180 7.9876 123.6564 64.5658 36.7500 178.8344 64 S 4.0144 7.8695 113.4416 61.4146 62.2738 175.9029 65 E 3.7880 8.1492 121.1968 59.4244 29.1436 179.3432 66 I 3.7570 7.9687 119.6183 64.3415 36.9505 178.3709 67 A 3.9773 8.0479 120.6130 55.1433 18.4183 179.1315 68 K 3.9052 8.0124 118.1229 60.0166 32.0124 179.0642 69 F 4.2595 8.1673 118.0107 60.0391 39.0351 176.8651 70 G 3.4879 8.4065 107.7668 44.9530 0.0000 173.5506 71 V 3.0803 7.1623 118.3830 63.4127 29.7254 171.4262 *73 H 4.4998 7.7910 121.2699 54.9986 32.2386 172.6930 74 V 3.6082 8.0539 125.4694 66.5961 31.0930 178.6659 75 S 4.2505 8.2886 113.1504 61.7390 62.9726 176.4879 76 T 3.9145 8.0631 118.7229 66.2872 68.3285 176.3652 77 A 4.1388 8.3265 122.7983 55.1005 18.4208 179.4703 78 F 4.0984 8.5837 119.2976 61.4273 39.5486 176.5446 79 N 4.1609 8.5397 116.9838 57.1015 38.6850 176.8284 80 F 4.3466 8.2687 118.8139 60.4508 38.8959 177.9767 81 S 4.1010 8.3154 114.9825 61.4278 62.6345 176.6297 82 K 3.9371 8.2192 121.5339 59.6266 31.8243 179.3360 83 K 3.9328 7.9823 118.4139 59.6434 31.9514 179.4276 84 L 4.0078 8.1846 119.1458 57.5443 41.4737 179.2539 85 E 4.2242 8.2747 120.9439 58.9282 29.4371 178.7581 86 E 3.9850 8.0685 117.4297 59.2718 29.5639 178.9401 87 R 3.8960 7.6605 117.5912 57.3548 30.1655 177.2572 88 G 3.9803 7.7934 106.1206 45.4803 0.0000 173.4014 89 Y 4.8771 8.0726 117.2122 58.8604 39.0335 175.2223 90 L 5.2418 7.8179 118.2912 52.9585 46.7979 175.2695 91 R 4.7294 8.9363 116.9298 54.5283 33.1739 174.1168 92 F 5.1365 9.0192 119.6289 56.9430 40.5605 174.9249 93 S 4.9529 9.1114 116.6726 56.4312 67.2215 172.6269 94 K 4.6852 8.4320 119.8025 54.7819 34.6453 175.8013 95 R 4.1419 8.7694 127.8610 55.4844 30.5370 177.1526 96 L 3.9695 8.9059 124.2857 57.9690 41.6653 178.6874 97 N 4.4015 8.1952 113.6062 55.3911 37.3476 174.5779 98 D 4.7484 8.4552 118.5182 52.0686 41.5547 175.3155 99 K 4.1441 8.3700 122.9763 58.8139 32.8107 178.8637 100 R 4.0543 8.2010 117.0794 58.6725 30.1726 176.5594 101 N 4.8601 7.6452 112.5933 51.9104 40.6010 174.2115 102 T 4.6603 8.1429 117.4104 62.7818 70.4953 173.7174 103 Y 5.0545 8.8314 123.7019 56.4808 41.3164 174.8722 104 V 4.7997 8.8320 120.4219 61.3611 35.3636 174.0511 105 Q 4.8488 8.8186 126.8500 53.9866 32.9405 173.9833 106 L 4.5848 8.4837 125.0067 55.2319 42.5739 177.2646 107 T 4.3773 8.2337 114.1508 60.5492 70.9925 175.4680 108 E 3.7984 8.7371 119.1079 59.6079 29.4184 178.8944 109 E 3.9705 8.1470 119.1777 59.0208 29.5941 179.3241 110 G 3.3205 7.9745 105.7065 47.9350 0.0000 175.7676 111 T 3.5067 7.8382 118.5391 66.0500 68.3343 176.0957 112 E 3.4907 7.4451 120.9961 59.2779 29.5431 178.9681 113 V 3.4556 7.4181 118.0045 65.8253 31.4251 177.6436 114 F 3.5834 7.9944 120.2922 61.0600 39.2484 177.1474 115 W 4.4748 8.3479 118.9411 59.8297 28.6178 178.4768 116 S 4.1989 8.1487 112.3043 61.3360 62.1786 175.7079 117 L 3.7757 7.5938 121.7985 57.9101 40.8324 179.6533 118 L 3.9103 7.3225 118.5179 57.6975 41.1561 179.3017 119 E 4.3618 7.9105 118.6394 57.9921 29.5410 178.2488 120 E 4.4390 8.0011 117.3032 56.2054 29.9531 176.2808 121 F 3.3101 7.2899 121.0284 58.4363 39.6311 173.9684 122 D 4.1274 7.1893 126.9574 51.1342 42.5755 173.8340 123 P 3.3932 0.0000 0.0000 65.3309 31.1868 178.4797 124 T 4.0329 7.1134 107.2335 63.3461 68.5785 174.7974 125 R 4.3762 7.4901 120.6174 55.8365 30.4375 175.4406 126 N 4.9523 8.0081 117.4915 51.6446 41.2109 175.1283 127 A 4.0150 9.8445 130.9210 54.9161 18.3161 179.7659 128 V 3.5219 7.7610 115.9161 66.0233 32.0363 177.3616 129 F 4.2621 9.1065 120.7477 61.5350 39.1056 177.2080 130 K 3.9734 8.5569 118.1721 59.4799 31.6870 179.6252 131 G 3.7464 8.7392 105.4494 46.6698 0.0000 174.7231 132 S 4.7152 7.5683 114.6965 58.3590 63.3960 175.9515 133 Q 3.8012 7.6176 123.4022 58.8623 28.4576 176.6064 134 P 4.2511 0.0000 0.0000 65.6024 31.2740 178.6767 135 L 4.0827 7.8638 117.3674 57.8601 41.6363 178.5469 136 Y 4.4763 7.9629 120.8180 60.6029 38.4332 178.0358 137 H 4.1934 8.2954 116.2971 58.5374 28.8456 177.2998 138 L 3.8685 7.6828 121.5515 57.5144 41.9974 178.1631 139 F 4.7020 8.3933 115.8523 57.0002 39.8777 177.0798 140 G 3.6857 9.7356 106.7276 44.6966 0.0000 172.8222 141 K 4.1255 6.7709 116.8963 54.9872 35.2361 175.1637 142 F 4.6269 8.6385 118.8057 56.7831 39.4500 173.8375 143 P 4.3670 0.0000 0.0000 62.8567 31.6189 176.3979 144 E 3.9487 8.7420 121.5606 57.2674 30.2054 176.6493 145 V 3.2974 7.7971 110.8203 62.1564 29.2913 174.1823 146 A 4.0827 7.9332 123.1342 55.3950 19.0304 179.4412 147 E 4.2174 7.7787 115.3698 56.9944 26.9212 176.2382 *150 C 4.3843 7.8635 118.1039 59.1702 33.6855 175.0555 *152 I 4.3208 7.6198 120.7907 61.0589 38.8699 177.9713 153 R 4.1506 8.0285 119.4988 59.7780 29.6939 178.1500 154 H 4.2360 8.2335 115.3457 58.4607 28.7488 177.6052 155 I 3.8458 7.7474 120.5512 64.1036 37.4025 177.0464 156 Y 4.1583 8.4624 114.8347 56.6370 38.3177 177.1696 157 G 4.2047 7.8953 104.8142 45.3741 0.0000 174.3572 158 D 4.2969 8.6513 119.1138 57.4851 41.0727 177.8674 159 D 4.6438 8.4309 117.5898 57.7871 41.1524 179.4705 160 F 4.1491 7.8424 121.1272 58.7070 39.2716 176.7219 *162 E 4.7013 8.2021 118.5715 55.6897 31.2639 178.0109 163 I 3.0639 6.9044 118.1421 63.5973 38.3863 177.8267 164 F 4.5881 7.5584 118.0750 60.0038 38.7732 176.9114 165 E 3.9668 8.0096 119.6291 59.2550 29.4635 178.6711 166 T 4.6328 7.3625 104.3824 60.4293 69.4608 176.1777 167 S 4.1443 7.9421 120.9469 61.3924 63.0593 175.5452 168 L 4.8204 7.7240 118.2656 54.2747 43.6852 177.5388 169 T 3.8932 7.6665 115.0928 67.9422 68.2100 175.6971 170 N 4.4629 8.0620 117.1725 56.5747 38.5892 177.5600 171 I 4.1706 8.0226 120.7732 64.5513 37.0612 177.8431 172 D 4.4473 8.3945 118.3635 57.1488 41.1427 177.4694 173 N 4.5717 7.8157 114.1760 54.8613 39.0557 176.1173 174 D 4.4100 7.8996 119.7851 53.7392 41.8020 175.8580 175 F 5.2671 7.4323 116.5504 55.3507 42.6047 174.4503 176 E 4.7945 9.0906 119.6117 54.6975 32.8606 174.9920 177 S 4.9516 8.5379 117.0721 57.8708 63.8957 174.4402 178 V 4.1963 8.4323 118.4555 60.4489 34.3890 175.5938 179 N 4.2195 9.3099 123.9708 54.6820 35.0879 174.9682 180 G 3.9649 8.3092 101.3986 46.0511 0.0000 173.1133 181 K 4.7296 7.5197 117.7491 53.9552 36.1447 175.5976 182 L 4.7540 8.3874 122.3764 54.7240 43.2263 176.1059 183 K 5.0345 9.2212 122.2055 54.0841 35.9922 175.6738 184 K 3.3958 9.1906 127.1563 56.8239 32.2846 176.0407 185 K 4.5378 8.2672 126.4194 54.5155 35.4370 175.9885 186 A 3.8953 8.2303 124.2246 51.9320 18.4509 177.7349 187 K 4.0347 8.4190 123.1923 56.9455 32.2945 176.4868 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 8 Y 8.14 4.60 0.00 3.06 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 9 D 8.51 4.46 0.00 2.93 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 10 V 9.42 4.01 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.05 0.00 0.00 11 K 8.25 4.01 0.00 2.01 1.93 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.53 7.81 12 E 8.13 3.98 0.00 2.33 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 0.00 2.34 2.36 0.00 13 A 8.59 4.03 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.10 3.86 0.00 1.85 1.85 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 15 V 7.79 3.59 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 1.07 0.00 0.00 1.02 0.00 0.00 16 F 8.11 4.22 0.00 3.04 3.26 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 17 T 7.96 3.70 4.17 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 1.30 0.00 0.00 18 Q 8.36 4.13 0.00 2.27 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.09 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 19 K 7.95 3.68 0.00 1.89 1.93 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.39 1.46 7.81 *21 A 7.91 4.19 1.32 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 0.00 0.00 0.00 22 Q 8.10 3.94 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 23 L 8.09 4.01 0.00 1.88 1.71 0.94 0.91 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 24 S 7.99 4.14 0.00 3.90 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.45 4.06 0.00 2.02 1.84 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.55 7.81 26 A 8.10 4.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.22 3.91 0.00 1.95 1.80 0.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 28 W 8.33 4.44 0.00 3.56 3.28 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 29 K 8.33 3.70 0.00 1.84 1.80 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.13 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.71 1.64 7.81 30 S 7.88 4.03 0.00 3.89 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 31 I 7.60 3.64 1.95 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 1.45 0.62 1.07 0.00 0.00 32 E 7.50 3.54 0.00 1.16 1.55 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 2.11 2.06 0.00 33 K 7.83 3.90 0.00 1.91 1.90 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.47 7.81 34 D 8.02 4.43 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 35 W 8.83 4.66 0.00 3.61 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 36 Q 8.48 4.12 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.71 0.00 0.00 0.00 0.00 0.00 2.63 2.42 0.00 37 Q 8.30 4.20 0.00 2.37 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.71 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 38 W 8.16 4.69 0.00 3.42 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 39 L 8.02 4.32 0.00 1.80 1.82 0.86 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.08 3.97 0.00 2.09 1.87 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.14 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.52 7.81 41 P 0.00 4.34 0.00 1.65 1.96 0.00 4.02 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 42 Y 8.08 4.31 0.00 3.00 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 43 D 7.74 4.41 0.00 2.73 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 44 L 7.79 4.93 0.00 1.63 1.52 0.82 1.27 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 45 N 8.62 4.69 0.00 2.84 2.93 0.00 0.00 6.94 7.51 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 46 I 7.67 2.96 1.46 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.20 -0.05 0.00 0.00 47 N 7.51 4.11 0.00 1.65 2.33 0.00 0.00 7.13 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 48 E 7.54 3.88 0.00 2.13 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 0.00 2.46 2.06 0.00 49 H 8.17 4.27 0.00 3.19 3.58 0.00 5.61 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.64 4.53 0.00 3.49 3.44 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 8.11 3.75 2.07 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 1.57 0.94 0.92 0.00 0.00 52 L 8.27 3.96 0.00 2.00 1.70 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 53 W 8.94 3.80 0.00 3.82 3.31 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 54 I 8.34 3.83 1.96 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 1.49 0.93 1.01 0.00 0.00 55 A 8.20 4.02 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 56 Y 8.03 3.74 0.00 2.20 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 57 Q 8.45 3.93 0.00 2.42 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.62 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 58 L 7.74 4.31 0.00 1.77 1.68 0.94 0.71 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 59 N 8.59 3.92 0.00 2.82 2.80 0.00 0.00 7.17 7.53 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 60 G 9.97 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 61 A 8.71 4.97 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 62 S 9.00 4.39 0.00 3.57 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 63 I 7.99 3.72 1.92 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.33 1.04 0.00 0.00 64 S 7.87 4.01 0.00 3.82 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 65 E 8.15 3.79 0.00 2.29 2.25 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 2.49 2.38 0.00 66 I 7.97 3.76 2.05 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.83 0.95 0.00 0.00 67 A 8.05 3.98 1.32 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 0.00 0.00 0.00 68 K 8.01 3.91 0.00 1.70 1.47 0.00 1.29 0.00 0.00 0.61 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.06 1.39 7.81 69 F 8.17 4.26 0.00 3.06 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 70 G 8.41 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.16 3.08 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 0.72 0.00 0.00 0.95 0.00 0.00 *73 H 7.79 4.50 0.00 3.35 3.24 0.00 5.95 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.05 3.61 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 1.10 0.00 0.00 0.86 0.00 0.00 75 S 8.29 4.25 0.00 4.15 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.06 3.91 4.55 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 1.53 0.00 0.00 77 A 8.33 4.14 1.47 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 78 F 8.58 4.10 0.00 3.23 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.54 4.16 0.00 2.85 2.77 0.00 0.00 7.32 8.04 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 80 F 8.27 4.35 0.00 3.28 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 81 S 8.32 4.10 0.00 3.96 3.64 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 82 K 8.22 3.94 0.00 1.78 1.75 0.00 1.63 0.00 0.00 1.31 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.49 1.41 7.81 83 K 7.98 3.93 0.00 2.05 1.90 0.00 1.46 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.52 7.81 84 L 8.18 4.01 0.00 1.88 1.77 1.01 0.85 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 85 E 8.27 4.22 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 86 E 8.07 3.98 0.00 2.09 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 2.33 2.31 0.00 87 R 7.66 3.90 0.00 1.80 1.44 0.00 3.11 0.00 0.00 3.04 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.34 0.00 88 G 7.79 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 89 Y 8.07 4.88 0.00 2.84 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 90 L 7.82 5.24 0.00 1.47 1.31 0.83 0.78 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 91 R 8.94 4.73 0.00 1.85 2.00 0.00 2.79 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 92 F 9.02 5.14 0.00 2.97 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 93 S 9.11 4.95 0.00 3.91 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 94 K 8.43 4.69 0.00 1.81 1.76 0.00 1.85 0.00 0.00 1.80 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.72 7.81 95 R 8.77 4.14 0.00 1.76 1.85 0.00 2.21 0.00 0.00 2.86 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.23 0.00 96 L 8.91 3.97 0.00 1.62 1.76 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 97 N 8.20 4.40 0.00 2.82 2.97 0.00 0.00 5.68 8.06 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 P 0.00 3.39 0.00 0.49 1.30 0.00 3.19 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.45 0.00 124 T 7.11 4.03 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 125 R 7.49 4.38 0.00 1.72 1.84 0.00 3.01 0.00 0.00 3.06 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.40 0.00 126 N 8.01 4.95 0.00 2.48 2.69 0.00 0.00 7.11 7.46 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 0.00 127 A 9.84 4.02 1.35 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 0.00 0.00 0.00 128 V 7.76 3.52 2.25 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 0.92 0.00 0.00 0.97 0.00 0.00 129 F 9.11 4.26 0.00 3.13 3.30 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 0.00 130 K 8.56 3.97 0.00 2.00 1.86 0.00 1.75 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.60 1.73 7.81 131 G 8.74 3.75 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 0.00 0.00 0.00 132 S 7.57 4.72 0.00 4.16 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Q 7.62 3.80 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 6.80 0.00 0.00 0.00 0.00 0.00 2.05 2.31 0.00 134 P 0.00 4.25 0.00 2.16 2.10 0.00 3.66 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 2.11 2.17 0.00 135 L 7.86 4.08 0.00 1.97 1.89 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 136 Y 7.96 4.48 0.00 2.75 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 0.00 137 H 8.30 4.19 0.00 3.21 3.34 0.00 5.90 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 7.68 3.87 0.00 1.54 1.44 0.68 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 139 F 8.39 4.70 0.00 3.06 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 9.74 3.69 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 0.00 0.00 0.00 141 K 6.77 4.13 0.00 1.91 1.80 0.00 1.49 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.40 7.81 142 F 8.64 4.63 0.00 3.24 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 0.00 143 P 0.00 4.37 0.00 2.21 2.10 0.00 4.08 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 144 E 8.74 3.95 0.00 1.87 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 2.24 2.33 0.00 145 V 7.80 3.30 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 0.73 0.00 0.00 0.91 0.00 0.00 146 A 7.93 4.08 1.25 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 0.00 147 E 7.78 4.22 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 2.32 2.30 0.00 *150 C 7.86 4.38 0.00 3.15 3.13 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 0.00 0.00 0.00 0.00 *152 I 7.62 4.32 2.01 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.77 1.01 0.00 0.00 153 R 8.03 4.15 0.00 1.99 2.00 0.00 3.21 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 154 H 8.23 4.24 0.00 3.23 3.37 0.00 5.70 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 0.00 155 I 7.75 3.85 1.92 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 1.60 0.49 0.37 0.00 0.00 156 Y 8.46 4.16 0.00 2.78 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 0.00 157 G 7.90 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 D 8.65 4.30 0.00 2.74 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 8.43 4.64 0.00 2.75 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 F 7.84 4.15 0.00 3.15 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *162 E 8.20 4.70 0.00 2.32 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 2.35 2.51 0.00 163 I 6.90 3.06 0.56 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.62 -0.14 0.00 0.00 164 F 7.56 4.59 0.00 3.16 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 0.00 165 E 8.01 3.97 0.00 2.27 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 0.00 2.36 2.35 0.00 166 T 7.36 4.63 4.19 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 1.17 0.00 0.00 167 S 7.94 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 0.00 168 L 7.72 4.82 0.00 1.67 1.62 0.96 0.89 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 0.00 169 T 7.67 3.89 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 0.00 170 N 8.06 4.46 0.00 2.65 2.62 0.00 0.00 6.95 7.32 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 0.00 171 I 8.02 4.17 2.05 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.74 0.96 0.00 0.00 172 D 8.39 4.45 0.00 2.79 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 0.00 173 N 7.82 4.57 0.00 2.81 2.85 0.00 0.00 6.97 7.94 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 0.00 174 D 7.90 4.41 0.00 2.89 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 0.00 0.00 0.00 175 F 7.43 5.27 0.00 2.96 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 0.00 176 E 9.09 4.79 0.00 2.01 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 0.00 2.27 2.26 0.00 177 S 8.54 4.95 0.00 3.80 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 0.00 178 V 8.43 4.20 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 0.98 0.00 0.00 0.94 0.00 0.00 179 N 9.31 4.22 0.00 2.87 2.90 0.00 0.00 7.12 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 0.00 180 G 8.31 3.96 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 0.00 0.00 0.00 181 K 7.52 4.73 0.00 1.60 1.64 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.22 1.29 7.81 182 L 8.39 4.75 0.00 1.63 1.44 0.53 0.72 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 0.00 183 K 9.22 5.03 0.00 1.64 1.66 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.51 7.81 184 K 9.19 3.40 0.00 1.35 1.44 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.40 0.68 7.81 185 K 8.27 4.54 0.00 1.61 1.65 0.00 1.60 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.22 7.81 186 A 8.23 3.90 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 K 8.42 4.03 0.00 1.59 1.63 0.00 1.89 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.59 7.81 * Residues marked with a * may have inaccurate shift predictions.