NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.1255 8.1633 120.7086 55.2561 34.0507 173.8741 2 R 4.9031 9.0136 118.9283 52.7171 34.4282 169.4154 3 V 5.0157 8.7547 122.7274 59.9445 35.6469 174.0373 4 V 4.9342 8.7344 123.8697 61.4018 33.6772 174.0820 5 I 4.9996 9.1459 129.2903 59.7060 39.6900 174.5297 6 Q 5.0552 8.8845 125.8763 53.8507 31.7447 174.9405 7 R 4.3035 8.5666 125.4731 56.3718 31.3491 175.6803 8 V 5.0263 8.9775 118.6228 59.7482 35.7864 176.5639 9 K 4.0967 9.2880 122.7817 58.3311 32.8737 176.9698 10 G 4.5416 7.7496 105.6741 45.8965 0.0000 171.6811 11 A 5.7641 8.1564 119.5419 51.8606 23.4039 175.7346 12 I 4.7604 8.2287 120.2105 59.4834 40.6437 174.1821 13 L 4.8598 9.1860 130.4994 54.0071 43.7290 175.5982 14 S 5.2279 8.7460 120.4372 57.4479 68.2618 172.8954 15 V 4.8687 8.7002 113.8432 60.0681 36.5736 174.6843 16 R 4.6444 8.5346 120.2061 55.5496 30.8941 176.7501 *26 E 4.3641 8.5838 122.0638 55.4782 31.4390 175.5892 27 L 4.9434 7.7114 116.7689 52.7492 45.4883 174.8522 28 E 4.6220 9.4273 124.8406 54.3849 31.4816 174.9146 29 I 4.4989 8.4488 128.8254 61.3546 37.5119 175.8852 30 I 4.5665 8.4101 118.5295 60.4293 39.4241 175.5310 31 S 4.5361 7.7434 114.7898 57.6000 65.5804 173.5122 32 E 5.2810 8.7686 127.2993 54.8498 32.6824 173.8540 33 I 4.8917 8.7126 118.5252 58.3306 41.5910 175.2471 34 K 4.7765 8.6594 128.6447 55.9003 30.7292 178.3331 35 N 4.6566 8.4971 124.9636 53.8604 39.2819 175.3204 36 G 4.7203 6.9679 106.7110 46.1699 0.0000 171.3627 37 L 5.3027 8.2598 120.3133 52.9907 45.4970 175.3118 38 I 4.6453 8.6430 122.1817 59.4161 40.6109 173.8792 39 C 5.0893 8.9476 127.6025 58.0010 30.7678 173.3163 40 F 4.8516 9.0967 124.6207 56.7115 39.7311 174.6541 41 L 5.0193 9.2875 127.9937 53.3895 44.0133 175.2288 42 G 4.3706 9.8294 117.9727 45.2936 0.0000 172.9066 43 I 5.0144 8.7276 127.2593 59.6643 37.0221 171.5290 44 H 3.9125 9.7122 130.5528 54.4838 30.8152 176.7511 45 K 3.8330 7.6872 126.9723 57.9020 31.4672 178.0313 46 N 4.8811 8.1903 114.8145 53.3014 38.7753 174.8382 47 D 4.7054 7.7607 119.0021 54.2880 41.5586 176.5032 48 T 4.6705 9.0588 114.0488 59.7392 71.1616 175.4467 49 W 4.6714 8.9532 132.8503 60.5746 30.6516 178.3642 50 E 4.0019 8.7467 119.0822 61.1025 29.0725 184.0224 51 D 4.5082 7.9342 119.0832 57.3709 40.9174 178.6294 52 A 3.8234 7.9793 120.5278 55.1593 18.2224 179.3054 53 L 3.4199 7.1188 117.2006 57.9152 41.6724 179.1487 54 Y 3.8884 7.8162 119.1510 60.8485 38.7154 177.8118 55 I 3.6126 7.5209 120.1559 64.8057 37.1382 178.0831 56 I 3.0244 7.5626 120.1051 64.4603 36.7632 178.4312 57 R 3.7267 8.0808 119.5614 59.1344 29.7421 178.8344 58 K 3.7490 7.6484 118.1076 59.7461 31.9985 179.0903 59 C 4.0653 8.1910 115.8184 62.7154 28.1322 175.6438 60 L 4.3961 7.6168 118.5062 55.5944 41.6885 177.0512 61 N 4.8907 7.6367 113.4177 52.7290 41.0492 174.9666 62 L 3.8536 8.0842 119.2531 55.3824 42.2831 176.8898 63 R 4.7965 8.6463 122.9547 55.9153 28.8527 176.2277 64 L 5.0588 8.6042 120.6178 54.1210 42.8775 176.2500 65 W 4.7996 8.5557 119.6850 54.8107 32.5529 175.0725 66 N 4.9730 8.6780 119.8109 52.4399 39.9578 174.3091 67 N 4.8083 8.6526 120.1857 55.5895 37.9681 174.9073 68 D 4.0024 7.5403 114.4476 56.2178 40.0812 173.4367 69 N 4.9176 9.0481 132.8813 53.6748 35.5353 176.9977 70 K 4.2746 7.6036 126.6663 53.6863 30.0170 177.2379 71 T 4.8486 7.8435 114.4619 60.8676 70.1484 175.2455 72 W 4.2689 8.0199 121.7316 58.6382 25.8567 173.8076 73 D 4.8053 8.6758 117.9595 55.2009 42.8549 175.9360 74 K 4.8046 8.1644 117.7491 53.6374 34.1806 176.1100 75 N 5.5431 8.9170 120.8143 50.8995 39.5665 176.2569 76 V 3.4319 8.7283 117.4164 65.0820 31.2860 178.2719 77 K 3.6119 7.7871 119.1032 58.9728 31.5160 178.5025 78 D 4.4009 8.6480 119.3872 57.1149 40.5373 178.2561 79 L 4.0586 6.8288 114.2940 52.9328 42.7798 176.0534 80 N 4.2505 7.8725 115.3926 53.5533 36.3544 172.3460 81 Y 5.0538 7.6787 114.3824 56.8705 41.2032 176.6704 82 E 4.9062 8.7044 119.5709 55.3048 32.4217 175.4864 83 L 5.3172 8.6181 120.5113 52.9084 45.8300 175.4579 84 L 5.0177 8.6901 124.3616 53.4562 44.7437 174.8955 85 I 4.7619 8.6534 128.1406 59.6980 39.4710 174.9999 86 V 4.6581 8.5509 126.5093 60.7132 34.4296 174.5815 87 S 4.6436 8.5632 123.2760 58.7513 63.2138 173.6209 88 Q 4.4638 9.6986 129.0624 54.9463 30.7963 174.8576 89 F 4.7578 9.0517 122.5305 58.7265 38.9690 177.7498 90 T 4.0328 7.0378 111.4262 63.5366 68.6858 176.1158 91 L 3.9329 7.3106 120.8648 57.2949 41.4349 177.3270 92 F 4.9301 8.3121 117.6387 57.2515 39.4392 175.5710 93 G 3.4581 7.6551 110.7391 44.6061 0.0000 173.8862 94 N 4.4618 8.9404 125.4277 53.5790 38.9574 175.0122 95 T 4.5423 8.4376 115.2181 61.3605 69.6329 175.2173 96 K 4.3804 8.2269 121.2534 55.7051 31.2336 176.0504 *99 N 4.6247 7.9510 115.0389 52.9976 40.5648 175.4004 100 K 4.6217 7.7918 118.5341 51.8435 35.3781 177.7498 101 P 4.2824 0.0000 0.0000 61.5746 32.0107 176.1555 102 D 4.4453 7.6967 119.1070 54.0440 41.8961 175.4330 103 F 5.2362 8.9359 131.9403 56.9931 39.7582 178.9265 *104 H 4.1197 8.7328 121.5162 58.5007 28.1747 179.2817 105 L 4.1163 7.8955 117.9206 54.7749 41.2646 178.1992 106 A 4.4497 7.3912 118.8944 52.9985 19.2014 176.8642 107 K 4.3206 8.1266 122.1283 55.4786 33.5372 176.9759 108 E 3.7856 8.8913 123.7934 57.1808 30.2663 173.3680 109 P 4.5901 0.0000 0.0000 65.5386 30.0383 178.3959 110 N 4.3656 8.3387 116.6354 56.9653 38.4253 177.9664 111 E 4.0365 8.0975 118.8412 60.9288 30.1601 181.0974 112 A 4.3696 8.7939 123.6093 55.2769 18.3350 179.3121 113 L 3.1114 8.3157 118.6983 58.2020 41.8314 179.4479 114 I 3.7215 7.2679 119.2428 64.3026 37.0587 177.8011 115 F 4.2279 8.3163 121.6418 61.7621 39.0970 176.3584 116 Y 4.2346 8.9519 119.0154 61.1793 38.7113 177.7968 117 N 4.3774 8.8883 119.8866 56.9606 38.6407 178.2099 118 K 3.9744 8.3714 125.2659 59.7626 31.7246 181.4548 119 I 3.9184 8.0109 121.7612 64.5187 37.2137 178.4432 120 I 3.8120 7.7423 120.4016 64.5615 36.7906 178.2275 121 D 4.3659 8.2414 119.5126 57.3369 40.7430 178.1274 122 E 3.9761 8.2928 119.7380 59.5599 29.5264 178.5602 123 F 4.0456 8.3628 117.8660 60.9851 38.8439 178.1277 124 K 4.1616 8.0856 118.2647 59.8994 31.8870 179.8635 125 K 4.1129 8.1406 123.2705 60.2179 31.7296 180.7692 126 Q 4.3762 8.5589 118.6870 56.2718 28.9655 177.9209 127 Y 4.7938 9.0599 116.0744 56.5283 39.1350 177.4502 128 N 4.9191 8.4098 114.2424 51.4496 42.3538 173.1994 129 D 4.2609 8.8988 124.6912 57.3343 41.2056 176.6898 130 D 4.5426 8.4616 116.1400 54.7331 41.7337 176.3795 131 K 4.2999 7.8266 117.2789 57.2773 33.9145 175.9604 132 I 4.7132 7.5550 120.9755 59.9113 38.3593 175.3429 133 K 4.8556 8.8319 125.6216 54.6679 36.2489 175.1414 134 I 5.2394 7.5925 114.3697 58.9879 41.2774 173.1663 135 G 4.0486 8.5177 110.6117 44.0384 0.0000 172.5009 136 K 4.3292 8.2401 121.4149 54.2383 31.9158 175.8587 137 F 3.7688 8.8488 128.2157 59.8483 39.4265 176.0148 138 G 3.9603 7.9816 113.8401 46.0464 0.0000 173.2315 139 N 4.7889 7.7298 116.8169 51.8902 39.8716 174.2623 140 Y 4.1337 8.5171 122.1024 57.9351 39.3131 174.8143 141 M 4.8666 7.7173 125.7327 53.4279 36.1013 174.8930 142 N 4.7101 9.2977 118.4581 52.2023 42.0060 172.9106 143 I 4.8696 8.3905 127.2424 59.7101 39.6542 175.3337 144 D 4.7206 8.9350 128.0918 53.0902 41.5542 175.3251 145 V 4.6152 8.2453 123.4360 61.5378 33.7392 175.6024 146 T 4.5039 8.5950 124.5733 61.6138 69.6474 172.6968 147 N 4.7985 8.6359 123.8246 53.3173 39.4001 175.2086 148 D 4.2688 10.1067 125.2651 51.5342 39.9263 176.0074 149 G 4.3851 8.2549 116.9581 45.2859 0.0000 169.5113 150 P 4.4891 0.0000 0.0000 61.1403 33.1500 176.1473 151 V 4.4223 8.0885 118.3498 61.7371 34.2474 174.0258 152 T 5.2279 8.6967 124.6276 61.8341 70.9888 173.6766 153 I 4.6130 8.9064 127.3570 59.5212 40.3997 173.8946 154 Y 5.2978 8.6922 127.0436 55.9602 41.3364 174.6757 155 I 4.4631 7.8279 125.4245 59.4829 42.3028 173.8243 156 D 5.0563 8.2372 124.5624 52.4523 43.3465 175.9345 157 T 3.7126 8.7630 117.9422 64.1164 69.0802 174.9677 158 H 4.6798 8.1464 118.3344 56.1849 28.4133 175.0614 159 D 4.5390 7.8386 125.8638 54.5038 41.0808 175.9714 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.16 5.13 0.00 1.73 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.01 4.90 0.00 1.27 1.63 0.00 2.25 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.63 0.00 3 V 8.75 5.02 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 0.73 0.00 0.00 1.05 0.00 0.00 4 V 8.73 4.93 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 1.06 0.00 0.00 1.09 0.00 0.00 5 I 9.15 5.00 1.90 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 1.27 0.70 0.92 0.00 0.00 6 Q 8.88 5.06 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.01 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 7 R 8.57 4.30 0.00 1.66 1.64 0.00 2.21 0.00 0.00 2.53 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.65 0.00 8 V 8.98 5.03 2.34 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 0.73 0.00 0.00 1.00 0.00 0.00 9 K 9.29 4.10 0.00 1.59 1.85 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 3.46 0.00 0.00 0.00 0.00 1.48 1.55 7.81 10 G 7.75 4.54 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 11 A 8.16 5.76 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 12 I 8.23 4.76 1.87 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 1.22 1.01 0.91 0.00 0.00 13 L 9.19 4.86 0.00 1.64 1.60 0.87 0.80 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 14 S 8.75 5.23 0.00 3.82 3.71 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 15 V 8.70 4.87 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 0.90 0.00 0.00 1.03 0.00 0.00 16 R 8.53 4.64 0.00 1.82 1.87 0.00 2.82 0.00 0.00 3.01 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 *26 E 8.58 4.36 0.00 1.94 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 2.19 2.41 0.00 27 L 7.71 4.94 0.00 1.64 1.53 0.98 0.99 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 28 E 9.43 4.62 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 29 I 8.45 4.50 1.88 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 1.41 0.66 0.91 0.00 0.00 30 I 8.41 4.57 1.89 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 1.29 0.68 0.97 0.00 0.00 31 S 7.74 4.54 0.00 3.90 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 32 E 8.77 5.28 0.00 1.95 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 2.17 2.43 0.00 33 I 8.71 4.89 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.73 0.92 0.00 0.00 34 K 8.66 4.78 0.00 1.73 1.26 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.51 7.81 35 N 8.50 4.66 0.00 1.44 1.67 0.00 0.00 6.71 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 36 G 6.97 4.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.26 5.30 0.00 1.68 1.60 1.09 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.64 4.65 1.77 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 1.49 0.88 0.00 0.00 39 C 8.95 5.09 0.00 2.75 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 9.10 4.85 0.00 2.99 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 9.29 5.02 0.00 1.92 1.81 1.14 1.06 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 42 G 9.83 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.73 5.01 1.87 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 1.23 0.73 0.91 0.00 0.00 44 H 9.71 3.91 0.00 3.22 3.46 0.00 5.57 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.69 3.83 0.00 1.86 1.73 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.40 1.30 7.81 46 N 8.19 4.88 0.00 2.58 2.82 0.00 0.00 6.93 8.06 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 47 D 7.76 4.71 0.00 2.64 2.34 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 48 T 9.06 4.67 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 49 W 8.95 4.67 0.00 3.57 3.23 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 0.00 50 E 8.75 4.00 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 51 D 7.93 4.51 0.00 3.01 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 52 A 7.98 3.82 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.12 3.42 0.00 1.64 1.55 0.94 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.82 3.89 0.00 3.01 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 55 I 7.52 3.61 1.98 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 1.79 0.81 1.01 0.00 0.00 56 I 7.56 3.02 1.49 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 1.00 -0.17 0.00 0.00 57 R 8.08 3.73 0.00 1.65 1.82 0.00 3.00 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.54 0.00 58 K 7.65 3.75 0.00 1.72 1.67 0.00 1.56 0.00 0.00 1.37 0.00 0.00 2.55 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.73 1.12 7.81 59 C 8.19 4.07 0.00 3.23 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 60 L 7.62 4.40 0.00 1.75 1.64 0.98 1.14 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 61 N 7.64 4.89 0.00 2.69 2.76 0.00 0.00 6.97 9.18 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 62 L 8.08 3.85 0.00 1.71 1.64 0.88 1.03 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 63 R 8.65 4.80 0.00 2.01 2.02 0.00 3.13 0.00 0.00 3.38 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.72 0.00 64 L 8.60 5.06 0.00 0.85 1.28 0.81 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 65 W 8.56 4.80 0.00 3.47 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 66 N 8.68 4.97 0.00 2.59 2.63 0.00 0.00 6.48 6.92 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 67 N 8.65 4.81 0.00 2.62 2.71 0.00 0.00 7.21 8.54 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 68 D 7.54 4.00 0.00 2.73 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 69 N 9.05 4.92 0.00 2.94 3.29 0.00 0.00 6.19 7.13 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 70 K 7.60 4.27 0.00 1.71 1.78 0.00 1.78 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.00 7.81 71 T 7.84 4.85 3.57 0.00 0.00 0.00 0.00 0.00 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 72 W 8.02 4.27 0.00 3.56 3.34 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 73 D 8.68 4.81 0.00 2.79 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.16 4.80 0.00 1.99 1.65 0.00 2.10 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.43 0.92 7.81 75 N 8.92 5.54 0.00 3.15 3.12 0.00 0.00 6.48 7.68 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 76 V 8.73 3.43 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 0.89 0.00 0.00 1.11 0.00 0.00 77 K 7.79 3.61 0.00 1.59 1.63 0.00 1.38 0.00 0.00 1.44 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.30 1.10 7.81 78 D 8.65 4.40 0.00 2.73 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 79 L 6.83 4.06 0.00 0.29 0.13 0.19 0.67 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 80 N 7.87 4.25 0.00 2.71 2.84 0.00 0.00 6.87 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 7.68 5.05 0.00 2.73 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 82 E 8.70 4.91 0.00 1.95 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 2.23 2.29 0.00 83 L 8.62 5.32 0.00 1.51 1.39 1.18 0.45 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 84 L 8.69 5.02 0.00 1.66 1.39 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.65 4.76 1.79 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.38 0.95 0.00 0.00 86 V 8.55 4.66 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.81 0.00 0.00 87 S 8.56 4.64 0.00 3.01 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 88 Q 9.70 4.46 0.00 2.31 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.61 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 89 F 9.05 4.76 0.00 3.53 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 T 7.04 4.03 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 0.64 0.00 0.00 91 L 7.31 3.93 0.00 1.42 1.50 1.04 0.73 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 92 F 8.31 4.93 0.00 3.42 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 93 G 7.66 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.94 4.46 0.00 2.73 2.66 0.00 0.00 6.31 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 95 T 8.44 4.54 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 96 K 8.23 4.38 0.00 1.70 1.76 0.00 1.85 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.35 1.34 7.81 *99 N 7.95 4.62 0.00 2.73 2.87 0.00 0.00 6.86 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 0.00 100 K 7.79 4.62 0.00 1.71 1.51 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.24 1.00 7.81 101 P 0.00 4.28 0.00 2.17 1.69 0.00 3.77 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.01 0.00 102 D 7.70 4.45 0.00 2.67 2.44 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 0.00 103 F 8.94 5.24 0.00 3.23 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *104 H 8.73 4.12 0.00 2.92 3.01 0.00 7.20 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.90 4.12 0.00 1.57 1.69 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.39 4.45 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 0.00 107 K 8.13 4.32 0.00 1.88 1.74 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.32 7.81 108 E 8.89 3.79 0.00 1.69 1.87 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 2.33 1.96 0.00 109 P 0.00 4.59 0.00 2.15 2.21 0.00 3.56 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 110 N 8.34 4.37 0.00 2.75 2.86 0.00 0.00 7.10 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 0.00 111 E 8.10 4.04 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.94 0.00 112 A 8.79 4.37 1.65 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 0.00 0.00 113 L 8.32 3.11 0.00 0.48 1.39 0.47 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.27 3.72 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 1.40 0.75 0.93 0.00 0.00 115 F 8.32 4.23 0.00 3.18 3.47 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 0.00 116 Y 8.95 4.23 0.00 3.52 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 N 8.89 4.38 0.00 2.97 2.92 0.00 0.00 7.25 8.20 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 0.00 118 K 8.37 3.97 0.00 1.74 1.82 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.35 7.81 119 I 8.01 3.92 1.94 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 1.11 0.42 0.98 0.00 0.00 120 I 7.74 3.81 1.94 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 1.00 1.08 0.91 0.00 0.00 121 D 8.24 4.37 0.00 2.93 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.29 3.98 0.00 2.42 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 123 F 8.36 4.05 0.00 3.31 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 K 8.09 4.16 0.00 1.89 1.89 0.00 1.91 0.00 0.00 1.89 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.65 7.81 125 K 8.14 4.11 0.00 1.84 1.73 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.36 7.81 126 Q 8.56 4.38 0.00 1.98 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 127 Y 9.06 4.79 0.00 3.04 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 0.00 0.00 0.00 0.00 128 N 8.41 4.92 0.00 2.60 1.86 0.00 0.00 6.49 8.49 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 0.00 129 D 8.90 4.26 0.00 2.64 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 0.00 130 D 8.46 4.54 0.00 2.84 2.56 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 0.00 131 K 7.83 4.30 0.00 0.94 1.49 0.00 1.79 0.00 0.00 1.52 0.00 0.00 2.71 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.87 0.64 7.81 132 I 7.56 4.71 1.85 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.98 0.77 0.00 0.00 133 K 8.83 4.86 0.00 1.60 1.63 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.30 1.45 7.81 134 I 7.59 5.24 2.08 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 1.29 1.86 1.01 0.00 0.00 135 G 8.52 4.05 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 0.00 0.00 0.00 136 K 8.24 4.33 0.00 1.83 1.76 0.00 1.80 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.47 7.81 137 F 8.85 3.77 0.00 2.99 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 0.00 138 G 7.98 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 0.00 139 N 7.73 4.79 0.00 2.94 2.82 0.00 0.00 6.89 7.57 0.00 0.00 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 Y 8.52 4.13 0.00 2.96 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 0.00 141 M 7.72 4.87 0.00 1.79 1.77 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.45 0.00 142 N 9.30 4.71 0.00 2.81 2.66 0.00 0.00 7.40 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 0.00 143 I 8.39 4.87 1.92 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 1.31 0.74 0.95 0.00 0.00 144 D 8.94 4.72 0.00 2.61 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 0.00 145 V 8.25 4.62 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 1.00 0.00 0.00 146 T 8.60 4.50 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 147 N 8.64 4.80 0.00 2.62 2.77 0.00 0.00 6.96 8.06 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 0.00 148 D 10.11 4.27 0.00 2.73 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 G 8.25 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 0.00 0.00 0.00 0.00 150 P 0.00 4.49 0.00 2.06 2.00 0.00 3.63 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 151 V 8.09 4.42 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 1.23 0.00 0.00 0.84 0.00 0.00 152 T 8.70 5.23 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 1.25 0.00 0.00 153 I 8.91 4.61 1.88 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 1.11 1.20 0.90 0.00 0.00 154 Y 8.69 5.30 0.00 2.88 2.80 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 0.00 155 I 7.83 4.46 1.75 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.48 0.97 0.00 0.00 156 D 8.24 5.06 0.00 2.59 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 0.00 157 T 8.76 3.71 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 1.31 0.00 0.00 158 H 8.15 4.68 0.00 3.47 3.32 0.00 5.60 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 7.84 4.54 0.00 2.64 2.50 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.