NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7613 8.2827 118.2214 52.2408 39.0021 174.7132 3 F 3.8516 8.7992 119.5488 59.7788 39.0694 172.0066 4 V 3.4423 8.6113 119.6524 64.7682 31.6829 177.6260 5 E 3.8914 8.4783 119.3234 58.8096 29.2975 178.9860 6 L 3.8388 7.7747 120.2891 58.1463 41.9687 178.9893 7 A 3.8186 7.3716 119.4909 54.9498 18.3707 179.4622 8 K 4.0702 8.1943 117.5842 59.3314 31.9067 179.6093 9 K 4.1338 7.9872 118.0221 58.1809 33.0428 177.7401 10 R 4.0100 7.4171 121.0359 56.5134 30.3542 174.8469 11 Y 4.8518 7.8844 121.6174 55.3546 41.3387 174.3302 12 S 4.4161 8.5841 116.3404 57.7568 63.1294 173.4615 13 C 4.4528 8.2928 126.9178 57.9569 32.3467 173.3559 14 R 4.0826 8.0939 123.9216 55.1233 31.1508 174.5051 15 N 4.9593 7.3576 117.2406 52.8396 42.0260 172.6980 16 Y 5.1166 8.6057 123.1252 55.9217 41.6223 175.3860 17 Q 4.3579 9.3663 121.8384 55.9101 29.3293 176.6062 18 D 4.4492 8.7828 119.7708 56.9543 41.1283 177.6054 19 R 3.8440 8.1429 118.4242 56.7636 30.1802 176.1232 20 K 4.2932 8.4751 124.1376 55.9538 32.9325 176.5940 21 V 4.0195 8.1324 121.1689 62.2256 32.2926 176.5097 22 E 4.1434 8.8556 126.9618 56.0778 31.1738 177.6127 23 K 3.8205 8.8360 123.7502 60.1808 31.6221 178.8432 24 E 3.9779 8.1481 117.9475 59.2719 29.3981 179.3720 25 K 4.0335 7.9640 118.1781 59.0732 32.3002 178.8123 26 L 3.9057 7.9160 120.6793 58.4069 41.9937 178.9248 27 E 4.0211 8.3685 118.4120 59.4578 29.1432 179.6044 28 K 4.1758 7.5758 116.8565 59.2306 32.4129 179.3376 29 V 3.7228 7.7355 118.6075 66.0986 31.5842 178.1371 30 L 4.0783 8.3547 119.0914 57.8127 41.2693 179.0607 31 D 4.3950 8.1255 118.8987 57.6769 40.8216 179.2494 32 V 3.8216 7.5839 110.2488 63.4067 31.3385 178.3309 33 A 3.9991 7.6022 120.4229 54.9911 18.2137 179.2087 34 R 4.0271 7.8144 116.0244 59.4359 30.4114 178.2609 35 I 3.8001 7.4824 118.5428 63.0862 37.4953 176.8332 36 A 3.9229 7.3259 121.8855 51.7586 18.6965 175.4351 37 P 4.6197 0.0000 0.0000 62.5690 32.7684 175.6480 38 T 4.7405 7.9655 108.0616 59.4215 72.0226 173.4390 39 G 3.7502 9.6160 112.7929 47.3456 0.0000 174.5367 40 G 3.5448 8.8451 112.1435 44.9606 0.0000 172.3940 41 N 4.1664 8.1214 115.6756 54.2900 37.8983 175.7189 42 R 3.9584 8.0534 116.4870 57.0273 30.9935 177.0493 43 Q 3.8419 8.2795 116.1765 55.2910 26.6183 172.0840 44 P 4.7442 0.0000 0.0000 63.3042 33.6009 177.7793 45 Q 4.6231 7.9105 120.1274 56.4953 30.3164 175.2000 46 R 4.7399 9.0047 121.9141 54.9970 33.3583 173.4309 47 L 5.1577 8.6148 125.9621 52.9541 44.7658 176.0429 48 I 4.3476 8.3470 123.3050 59.3351 39.9748 174.9399 49 V 4.0842 8.3797 128.1317 62.4846 32.3231 175.1299 50 I 4.6583 9.1024 129.4054 59.6735 39.5198 176.0679 51 Q 4.6172 8.7935 122.0270 54.6635 30.6038 175.0126 52 E 4.6342 7.7641 118.5803 54.4186 33.0192 176.4091 53 K 3.8494 8.3921 121.2000 59.7646 32.2756 178.3390 54 E 3.9709 8.2608 119.0627 59.4605 29.5519 178.9812 55 G 3.6894 8.0171 105.0288 47.8405 0.0000 175.5029 56 I 3.7573 7.9937 122.4299 64.3267 37.0103 178.3527 57 N 4.3806 8.5134 117.5767 56.0196 38.0800 177.6289 58 K 3.8617 7.9102 119.2229 59.4425 32.3823 178.8753 59 L 4.2213 8.1666 119.1392 58.1541 41.3771 179.9022 60 S 4.6672 7.8317 114.7558 60.6572 62.7356 176.5334 61 K 4.0690 7.8130 120.4611 58.5497 32.0020 178.0768 62 A 4.6188 8.0883 119.5943 51.8135 20.1332 175.9634 63 A 4.5260 6.9535 118.1788 51.2470 22.0392 174.6795 64 N 4.5494 8.3659 118.8500 52.8358 38.8167 174.5043 65 I 4.1913 7.9659 118.2714 60.0418 37.9883 175.2635 66 Y 3.9221 7.8359 116.2621 60.2004 35.7175 169.6169 67 D 4.4000 8.5464 114.3122 54.7786 38.8820 174.2000 68 A 3.6062 7.9045 120.9801 51.6215 18.7286 177.2119 69 P 4.4378 0.0000 0.0000 64.2830 31.9117 176.1474 70 L 4.8582 7.3339 120.8387 53.5498 45.7304 174.2226 71 A 4.9030 9.0800 126.8719 50.1185 23.0030 174.7102 72 I 4.6448 8.5495 121.6533 59.2824 40.2449 174.6283 73 L 4.3017 8.4144 130.5182 54.1596 43.2829 175.5469 74 V 4.3080 8.8155 128.1066 61.8147 32.8096 174.5241 75 C 5.1326 9.0394 126.4112 58.1096 31.4492 172.9971 76 G 4.3142 8.9500 108.4028 44.5321 0.0000 172.0402 77 D 5.2255 9.0868 125.6090 52.9673 41.3706 177.0773 78 K 4.1543 9.1157 127.4796 59.1473 32.1495 178.4115 79 D 4.5862 8.6844 118.5554 55.4052 41.1808 176.9769 80 K 4.4743 7.7433 117.4110 57.2001 34.4176 177.3386 81 V 3.8299 7.6863 117.1116 61.2003 31.9997 175.5654 82 W 4.5199 8.7916 131.9733 58.0108 31.9543 174.5396 83 T 4.5675 8.0253 123.3319 61.3986 69.8683 174.1014 84 R 2.5100 7.7927 128.1740 55.0403 30.2387 175.4533 85 P 4.1524 0.0000 0.0000 65.5734 31.8119 177.5071 86 F 4.2283 8.4844 119.4841 60.7602 39.1242 175.1979 87 D 4.5613 7.7582 114.3138 52.0124 40.2509 176.1457 88 G 3.7304 8.5089 107.9132 45.7666 0.0000 173.6358 89 K 4.0461 7.9368 121.9911 55.8887 32.5856 176.1280 90 Q 4.7976 8.3272 125.0832 55.0959 30.4445 175.5541 91 L 4.6105 8.4438 120.2794 55.4254 41.8112 179.4558 92 T 3.8990 7.8660 118.6103 67.1431 68.5328 176.0689 93 D 4.4895 8.0845 120.1400 57.2461 40.9294 178.5744 94 I 3.7520 7.7623 120.0157 64.4050 37.3550 177.7069 95 D 4.4409 8.4386 119.7947 57.9667 40.7575 179.4499 96 T 3.9744 7.8124 109.7733 64.8069 68.6968 176.7004 97 S 4.5353 8.1480 117.8798 61.1786 62.9060 176.5751 98 I 3.7885 8.0394 122.8442 64.3503 36.6535 178.4681 99 V 3.5369 7.3745 117.1271 66.4707 31.4367 177.9211 100 T 3.7753 7.8711 114.2493 66.3809 68.1965 175.9389 101 D 4.8950 8.5705 119.5666 57.2238 42.9909 177.1449 102 H 4.4006 8.2655 117.9812 56.2923 25.1494 175.4858 *105 L 4.3032 7.6401 123.2821 54.7458 44.0851 179.6243 106 Q 3.9448 8.3921 118.8517 59.0634 28.9554 177.7798 107 A 3.9848 8.0285 121.3425 55.6950 18.3658 179.6011 108 T 4.0913 7.7701 114.8717 66.2696 68.3815 176.3602 109 E 4.0193 7.9211 119.7729 58.8419 29.6826 177.8788 110 L 4.4874 7.3350 116.1056 54.3279 41.8943 177.4698 111 G 3.9749 7.9284 107.2408 45.3479 0.0000 173.3497 112 L 4.2513 7.6920 120.3156 53.5187 42.8072 176.6763 113 A 4.2799 8.4627 126.0269 52.2327 19.5201 176.3220 114 S 5.4372 8.3072 112.2946 58.4839 66.7483 173.5636 115 V 4.8403 8.0989 118.8708 60.0378 34.6558 173.4229 116 W 4.6951 9.0245 134.3351 57.0409 31.7526 175.2365 117 V 4.7588 9.3898 126.9765 61.7092 33.4020 175.3778 118 C 5.0437 9.3321 123.6642 59.8381 30.2386 174.2636 119 Y 4.6470 8.0045 122.7540 56.0141 36.7978 173.7062 120 F 5.1825 7.1754 116.1682 53.8560 41.8051 176.0291 121 N 4.6835 9.0495 120.9178 52.4472 38.8908 174.0762 122 P 4.7475 0.0000 0.0000 65.9498 31.6163 178.0994 123 D 4.3942 8.2801 118.5782 57.2454 40.6690 178.7020 124 I 3.7797 8.0050 119.9447 64.4085 37.2049 178.2967 125 I 3.9270 7.9203 120.7470 64.4137 36.9207 178.5197 126 R 3.9361 8.3801 119.7661 59.3073 29.8223 178.2200 127 E 3.8966 8.3193 119.0426 59.5376 29.5245 178.6935 128 E 3.8445 8.4510 117.5503 58.5435 29.4811 178.3951 129 F 4.5750 7.9380 114.8292 55.8213 39.9202 175.8249 130 S 3.7352 7.8242 113.7206 59.3328 60.9235 172.9879 131 L 4.1732 7.8535 119.2944 53.8598 42.3879 176.2866 132 P 4.5691 0.0000 0.0000 62.2688 32.1384 177.0662 133 D 4.4675 8.5548 118.8947 57.2363 41.0335 177.8299 134 N 4.5439 8.2056 116.3105 54.8044 38.7220 174.7217 135 L 4.9917 7.7664 120.2659 53.2460 43.1173 175.6012 136 E 4.7471 8.8852 125.9863 53.6183 31.6796 173.0102 137 P 4.6193 0.0000 0.0000 63.3046 31.7798 174.7497 138 I 4.5703 9.1675 124.3505 62.4705 38.9004 175.4759 139 N 5.3522 8.0324 118.2064 51.4344 42.9480 172.9095 140 I 4.5636 8.7504 123.2699 59.5022 39.8517 174.3410 141 L 4.6054 8.5254 130.6395 53.5863 43.3943 175.8927 142 L 4.8392 8.0742 126.7590 52.9016 44.2298 176.0755 *144 G 4.1118 8.1115 104.8650 46.6441 0.0000 170.6371 145 Y 5.2867 8.6231 118.5779 55.7014 40.8522 175.5624 146 E 4.2904 9.0036 122.4851 56.8412 29.9261 177.2741 147 S 4.5501 8.5747 118.3151 60.3597 63.8336 173.7629 148 K 4.6616 7.6684 116.4179 54.3952 35.6740 175.4283 149 I 3.6946 8.2265 119.5358 60.8097 37.2562 174.7501 150 P 3.9321 0.0000 0.0000 62.1314 31.7893 176.0097 151 E 3.8094 6.1750 118.5506 55.8512 30.1368 177.1192 152 S 4.1334 8.2270 116.0099 57.7987 62.9280 173.6087 153 P 4.8074 0.0000 0.0000 64.3788 31.2742 176.7929 154 E 4.6041 7.9913 117.1456 56.2146 29.5887 177.7919 155 R 4.0686 7.7253 118.1510 58.7943 29.6699 178.1404 156 H 4.4135 8.0613 118.2164 57.9666 28.4255 176.7772 157 E 3.9774 8.2451 120.3169 58.7314 29.4841 177.9560 158 K 4.3305 8.0938 117.3520 57.2542 33.0118 177.3530 159 T 4.4653 7.5123 106.8202 61.2794 69.5075 174.0005 160 R 4.7873 7.6488 119.9539 54.2975 34.0838 175.5389 161 V 3.8460 8.1712 113.6315 60.5075 32.4388 174.6469 162 P 4.3904 0.0000 0.0000 62.5111 31.9991 177.3770 163 L 3.9432 8.7131 122.9335 58.5141 41.6770 179.5592 164 S 4.1444 8.1321 112.5200 61.3115 62.7554 175.7003 165 E 4.2139 8.2142 121.1976 57.5658 29.4667 177.0476 166 I 4.3283 7.7608 110.5026 60.1598 39.0463 175.6038 167 V 4.2973 7.6439 120.8346 60.9211 33.7040 174.1803 168 S 4.7906 8.1920 119.5942 56.6437 66.2344 171.9740 169 Y 4.4795 8.4116 117.8544 57.3508 39.5670 175.0676 170 E 4.3869 9.3831 128.6516 56.3537 28.1278 174.3304 171 T 4.7350 7.2883 104.4376 58.9244 72.1658 173.5971 172 L 4.3966 8.4934 119.5877 54.6331 41.6088 177.5295 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 4.76 0.00 3.03 3.08 0.00 0.00 5.75 7.23 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 3 F 8.80 3.85 0.00 3.30 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.61 3.44 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 0.84 0.00 0.00 0.91 0.00 0.00 5 E 8.48 3.89 0.00 2.15 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 0.00 2.31 2.45 0.00 6 L 7.77 3.84 0.00 1.67 1.52 0.92 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 7 A 7.37 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.19 4.07 0.00 1.95 2.06 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.47 7.81 9 K 7.99 4.13 0.00 1.95 2.05 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.71 1.48 7.81 10 R 7.42 4.01 0.00 1.83 2.07 0.00 3.28 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 11 Y 7.88 4.85 0.00 3.11 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 12 S 8.58 4.42 0.00 3.90 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 C 8.29 4.45 0.00 2.27 2.40 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 14 R 8.09 4.08 0.00 1.43 0.84 0.00 3.07 0.00 0.00 2.69 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.26 0.00 15 N 7.36 4.96 0.00 2.67 2.53 0.00 0.00 6.87 7.56 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 16 Y 8.61 5.12 0.00 2.94 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 17 Q 9.37 4.36 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.01 0.00 0.00 0.00 0.00 0.00 2.46 2.68 0.00 18 D 8.78 4.45 0.00 2.70 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 19 R 8.14 3.84 0.00 1.75 2.01 0.00 2.93 0.00 0.00 2.50 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 20 K 8.48 4.29 0.00 1.83 1.76 0.00 1.83 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.39 7.81 21 V 8.13 4.02 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 0.77 0.00 0.00 0.85 0.00 0.00 22 E 8.86 4.14 0.00 2.16 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 0.00 2.44 2.48 0.00 23 K 8.84 3.82 0.00 1.82 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.56 7.81 24 E 8.15 3.98 0.00 2.12 2.00 0.00 0.00 0.00 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 2.47 0.00 25 K 7.96 4.03 0.00 1.95 1.85 0.00 1.91 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.55 7.81 26 L 7.92 3.91 0.00 1.75 1.85 0.88 0.95 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 27 E 8.37 4.02 0.00 2.05 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 2.48 0.00 28 K 7.58 4.18 0.00 1.88 1.88 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.64 7.81 29 V 7.74 3.72 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.97 0.00 0.00 30 L 8.35 4.08 0.00 1.80 1.68 0.89 1.02 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 31 D 8.13 4.39 0.00 2.89 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 32 V 7.58 3.82 2.16 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 0.78 0.00 0.00 1.04 0.00 0.00 33 A 7.60 4.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.81 4.03 0.00 1.81 2.10 0.00 3.24 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 35 I 7.48 3.80 1.91 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 1.46 0.77 0.94 0.00 0.00 36 A 7.33 3.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.62 0.00 2.17 2.04 0.00 3.61 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 1.96 1.94 0.00 38 T 7.97 4.74 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 1.24 0.00 0.00 39 G 9.62 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 40 G 8.85 3.54 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 0.00 41 N 8.12 4.17 0.00 2.76 2.82 0.00 0.00 7.12 7.20 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 42 R 8.05 3.96 0.00 1.90 2.14 0.00 3.73 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.84 0.00 43 Q 8.28 3.84 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.94 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 44 P 0.00 4.74 0.00 2.14 2.38 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 45 Q 7.91 4.62 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.27 0.00 46 R 9.00 4.74 0.00 1.88 1.73 0.00 3.07 0.00 0.00 3.15 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 47 L 8.61 5.16 0.00 1.46 1.45 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 48 I 8.35 4.35 1.58 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.89 0.83 0.00 0.00 49 V 8.38 4.08 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 0.73 0.00 0.00 0.88 0.00 0.00 50 I 9.10 4.66 1.80 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.52 0.97 0.00 0.00 51 Q 8.79 4.62 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.84 0.00 0.00 0.00 0.00 0.00 2.20 2.35 0.00 52 E 7.76 4.63 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 53 K 8.39 3.85 0.00 1.91 1.80 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.51 1.07 7.81 54 E 8.26 3.97 0.00 2.04 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 2.29 2.32 0.00 55 G 8.02 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 56 I 7.99 3.76 1.87 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 1.68 0.79 0.90 0.00 0.00 57 N 8.51 4.38 0.00 2.90 2.84 0.00 0.00 7.06 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 58 K 7.91 3.86 0.00 1.78 1.51 0.00 1.12 0.00 0.00 0.75 0.00 0.00 2.90 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.40 1.49 7.81 59 L 8.17 4.22 0.00 1.92 1.71 0.84 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 60 S 7.83 4.67 0.00 3.95 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.81 4.07 0.00 1.88 1.87 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.62 7.81 62 A 8.09 4.62 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 6.95 4.53 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 64 N 8.37 4.55 0.00 2.44 2.33 0.00 0.00 6.85 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 65 I 7.97 4.19 1.81 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 1.34 0.69 0.85 0.00 0.00 66 Y 7.84 3.92 0.00 3.41 3.38 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 67 D 8.55 4.40 0.00 2.87 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 68 A 7.90 3.61 0.77 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 0.00 0.00 69 P 0.00 4.44 0.00 2.20 2.21 0.00 3.36 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.14 0.00 70 L 7.33 4.86 0.00 1.67 1.38 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 71 A 9.08 4.90 1.08 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 72 I 8.55 4.64 1.72 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.69 0.78 0.00 0.00 73 L 8.41 4.30 0.00 1.34 1.17 0.49 -0.12 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 74 V 8.82 4.31 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 0.77 0.00 0.00 0.72 0.00 0.00 75 C 9.04 5.13 0.00 2.96 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 76 G 8.95 4.31 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 0.00 77 D 9.09 5.23 0.00 2.75 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 78 K 9.12 4.15 0.00 1.73 1.87 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.54 7.81 79 D 8.68 4.59 0.00 2.84 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 80 K 7.74 4.47 0.00 1.86 1.84 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.50 7.81 81 V 7.69 3.83 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 1.08 0.00 0.00 82 W 8.79 4.52 0.00 3.36 3.17 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 83 T 8.03 4.57 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 84 R 7.79 2.51 0.00 0.99 1.64 0.00 3.25 0.00 0.00 3.35 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 85 P 0.00 4.15 0.00 2.14 2.12 0.00 3.81 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.07 0.00 86 F 8.48 4.23 0.00 2.99 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 7.76 4.56 0.00 2.78 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 88 G 8.51 3.73 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 0.00 0.00 0.00 89 K 7.94 4.05 0.00 1.82 1.76 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.39 7.81 90 Q 8.33 4.80 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.32 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 91 L 8.44 4.61 0.00 1.85 1.77 1.21 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 92 T 7.87 3.90 4.28 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 1.25 0.00 0.00 93 D 8.08 4.49 0.00 2.73 2.78 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 94 I 7.76 3.75 2.05 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.70 0.97 0.00 0.00 95 D 8.44 4.44 0.00 2.72 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 96 T 7.81 3.97 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 1.31 0.00 0.00 97 S 8.15 4.54 0.00 4.16 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.04 3.79 2.03 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 1.46 0.84 0.90 0.00 0.00 99 V 7.37 3.54 2.20 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 0.78 0.00 0.00 0.95 0.00 0.00 100 T 7.87 3.78 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 101 D 8.57 4.90 0.00 3.12 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 0.00 102 H 8.27 4.40 0.00 3.55 3.30 0.00 5.89 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *105 L 7.64 4.30 0.00 1.96 1.86 1.23 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 8.39 3.94 0.00 2.29 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.76 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 107 A 8.03 3.98 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 T 7.77 4.09 4.39 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 1.22 0.00 0.00 109 E 7.92 4.02 0.00 2.02 2.15 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 2.34 2.37 0.00 110 L 7.33 4.49 0.00 1.81 1.69 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 111 G 7.93 3.97 0.00 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0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 128 E 8.45 3.84 0.00 1.81 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 129 F 7.94 4.57 0.00 3.19 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 0.00 130 S 7.82 3.74 0.00 3.92 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 L 7.85 4.17 0.00 1.70 1.64 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 132 P 0.00 4.57 0.00 2.41 2.19 0.00 3.72 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.00 0.00 133 D 8.55 4.47 0.00 2.70 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 N 8.21 4.54 0.00 2.88 3.13 0.00 0.00 6.22 6.67 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 0.00 135 L 7.77 4.99 0.00 1.59 1.65 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.89 4.75 0.00 2.07 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 2.28 0.00 137 P 0.00 4.62 0.00 2.08 1.99 0.00 3.88 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 2.25 2.10 0.00 138 I 9.17 4.57 1.96 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 1.42 0.98 1.10 0.00 0.00 139 N 8.03 5.35 0.00 2.32 2.14 0.00 0.00 6.80 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 0.00 140 I 8.75 4.56 1.84 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.12 0.78 0.00 0.00 141 L 8.53 4.61 0.00 1.35 1.31 0.86 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.07 4.84 0.00 1.76 1.39 1.09 0.56 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 *144 G 8.11 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 0.00 145 Y 8.62 5.29 0.00 2.98 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 E 9.00 4.29 0.00 1.99 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 2.37 2.58 0.00 147 S 8.57 4.55 0.00 3.78 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 K 7.67 4.66 0.00 1.77 1.75 0.00 1.55 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 1.38 7.81 149 I 8.23 3.69 1.81 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 1.44 0.51 0.84 0.00 0.00 150 P 0.00 3.93 0.00 1.96 2.26 0.00 3.72 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.98 0.00 151 E 6.18 3.81 0.00 1.56 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 1.70 2.15 0.00 152 S 8.23 4.13 0.00 3.78 3.66 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 0.00 153 P 0.00 4.81 0.00 2.08 2.10 0.00 3.73 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 154 E 7.99 4.60 0.00 1.95 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 2.26 2.36 0.00 155 R 7.73 4.07 0.00 1.94 2.14 0.00 2.69 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.42 0.00 156 H 8.06 4.41 0.00 3.26 3.42 0.00 6.10 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 0.00 157 E 8.25 3.98 0.00 1.97 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 2.30 2.41 0.00 158 K 8.09 4.33 0.00 1.85 1.82 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.55 7.81 159 T 7.51 4.47 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 160 R 7.65 4.79 0.00 1.97 1.82 0.00 3.35 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 161 V 8.17 3.85 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 0.70 0.00 0.00 0.93 0.00 0.00 162 P 0.00 4.39 0.00 2.18 1.98 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 163 L 8.71 3.94 0.00 1.76 1.70 0.92 0.89 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 0.00 164 S 8.13 4.14 0.00 4.09 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 0.00 165 E 8.21 4.21 0.00 2.10 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 2.34 2.31 0.00 166 I 7.76 4.33 1.85 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 1.26 0.62 0.90 0.00 0.00 167 V 7.64 4.30 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 0.52 0.00 0.00 0.87 0.00 0.00 168 S 8.19 4.79 0.00 4.03 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 0.00 169 Y 8.41 4.48 0.00 2.94 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 0.00 170 E 9.38 4.39 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 171 T 7.29 4.73 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 1.22 0.00 0.00 172 L 8.49 4.40 0.00 1.65 1.65 0.92 0.92 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 * Residues marked with a * may have inaccurate shift predictions.