NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5312 8.1627 118.3429 55.3868 33.8439 172.6291 2 R 4.9232 8.4077 118.3136 53.9205 32.4581 169.6239 3 V 4.8804 9.3224 128.5535 61.0109 34.8692 173.3600 4 A 4.8833 8.7963 129.5396 50.3533 21.7020 175.7416 5 I 5.0008 8.3247 122.0985 58.8015 41.7215 172.9355 6 P 3.4420 0.0000 0.0000 62.2164 32.3523 175.0567 7 A 4.9770 8.3135 125.6939 50.1317 20.7806 176.3180 8 E 4.1344 8.7514 121.5821 58.3435 30.4188 175.9993 9 D 4.9114 7.8421 117.1815 52.4042 45.2614 174.0923 10 D 3.8970 7.5952 116.2902 53.7708 39.6852 177.6489 11 R 4.1123 7.8193 116.8040 56.4645 31.0991 177.3706 12 G 3.7443 7.4158 107.5595 46.5906 0.0000 176.5602 13 I 3.8931 8.2654 116.1258 62.1880 37.5796 177.2542 14 K 4.2920 7.7093 119.8431 56.7181 32.5291 176.3404 15 S 4.5261 7.8508 115.4264 57.5896 64.4193 172.4920 16 N 5.2351 8.2970 119.1792 51.4037 40.8938 174.9839 17 V 4.1517 8.1126 121.7530 63.1573 31.8358 176.0978 18 S 4.2390 8.7149 123.5620 58.4796 63.1004 175.6301 19 K 4.1278 8.8984 122.5559 58.7211 33.1965 175.7536 20 H 5.1108 7.7092 114.1641 53.4429 30.9990 173.3913 21 F 4.0488 8.8040 126.7341 59.8613 39.5747 174.0556 22 G 4.2034 8.1057 117.7319 46.1508 0.0000 175.0540 23 R 4.1810 7.5350 115.9493 56.2437 30.7135 177.2596 24 S 4.2387 7.3651 111.9607 58.4776 63.5269 174.2421 25 R 4.4350 8.3679 118.9535 56.1247 32.3374 174.8110 26 Y 5.3864 7.7023 116.2839 56.1674 42.5075 174.3170 27 F 4.9098 9.3460 120.0961 55.6349 43.7225 173.8635 28 V 4.8495 8.7305 122.1454 61.1629 34.1355 174.1207 29 F 5.1402 9.3253 126.8970 55.6765 41.5810 174.5681 30 V 4.8199 9.2650 124.5701 61.1406 34.4283 173.8870 31 D 5.2002 9.1719 128.8546 53.6472 42.0457 175.4155 32 I 4.9374 8.8501 125.3215 59.4903 39.8687 175.5246 33 E 4.4976 9.4313 126.4605 55.1171 32.4766 176.7477 34 G 3.7856 8.2501 116.2121 47.1796 0.0000 173.4135 35 E 4.3655 9.0389 123.9995 56.0569 29.7009 175.0535 36 D 4.8110 8.0484 120.5982 52.3278 42.8085 175.7103 37 V 4.2892 8.2590 124.0073 61.9064 31.0390 175.2875 38 K 4.3439 9.0420 128.2619 58.3001 32.9918 177.1440 39 N 4.7899 7.8048 116.3431 52.4527 42.3086 173.1749 40 V 4.9121 8.5132 125.1064 61.0730 34.4977 174.0842 41 E 4.6827 9.3224 127.7165 54.4795 32.8791 174.1955 42 V 4.8509 8.7860 126.8452 61.5602 33.1685 174.4817 43 V 4.8869 8.8786 120.8594 59.4595 35.6703 174.6463 44 E 5.0844 8.7770 119.4471 54.8604 31.9667 175.4960 45 V 3.4522 8.0389 121.5073 61.0773 32.3367 174.3092 46 P 4.1487 0.0000 0.0000 64.0741 33.0711 175.6459 47 F 3.9843 8.9472 123.2944 58.1498 36.0256 176.6537 *53 G 2.8065 8.7040 115.1569 45.5174 0.0000 173.9496 54 D 4.2891 7.6578 121.4836 57.3169 41.2339 178.3974 55 L 3.9529 7.7734 118.3782 57.7729 41.7179 177.8310 56 P 3.7814 0.0000 0.0000 65.6154 31.0645 178.4628 57 N 4.4007 8.0368 115.0525 55.9175 38.2218 177.0522 58 F 4.1327 8.5720 121.7172 61.4976 39.7328 177.0054 59 I 3.8984 8.1536 119.2346 64.3544 36.9410 178.1413 60 K 3.9027 8.4487 120.7069 59.9656 31.7810 178.4655 61 D 4.2948 8.2748 117.8148 57.0124 40.6963 177.4316 62 H 4.2395 7.5545 114.7933 55.0911 28.7729 176.1212 63 G 3.8276 8.0655 109.1697 45.2464 0.0000 173.7795 64 A 4.4805 7.7531 122.3291 51.8405 19.4809 177.7130 65 K 4.6543 8.8329 120.1229 56.1911 34.7516 176.0462 66 I 4.9830 7.6318 120.4983 59.2387 41.5547 174.2528 67 V 4.6077 8.4335 125.4363 60.9942 34.2093 173.9710 68 L 4.9504 8.4048 128.3773 53.3650 42.9723 175.9128 69 T 4.2340 9.1616 114.4620 60.8210 72.4767 172.7582 70 Y 4.2909 8.3445 123.4687 57.1356 38.7077 174.5151 71 G 3.7656 6.8995 103.7443 44.6285 0.0000 172.6998 72 I 4.7309 7.6263 120.1116 58.5019 40.9703 174.9410 73 G 4.0214 8.5344 112.5416 44.1642 0.0000 174.8153 74 R 3.9879 8.6153 121.4228 59.3565 30.1036 178.8199 75 R 4.0705 8.1456 117.7219 59.4839 30.0023 178.1410 76 A 3.9930 8.0628 119.9489 55.1627 18.3950 179.3506 77 I 3.8228 7.8431 118.2955 64.8530 37.2042 178.5107 78 E 4.0129 8.5601 119.5139 59.6216 28.8214 178.8430 79 Y 3.8209 8.3686 119.6893 60.5569 38.7282 178.1575 80 F 4.3265 8.6283 119.0353 60.8454 39.0552 177.3993 81 N 4.6284 8.9303 117.9183 55.8076 38.0971 177.6211 82 S 4.1881 8.2496 114.8499 60.5776 63.1211 175.4653 83 L 4.5663 7.3386 120.2337 53.9083 41.5600 176.7931 84 G 3.9187 8.0466 106.6411 46.2239 0.0000 173.3540 85 I 4.7132 8.0700 120.6203 59.3675 39.7063 175.1244 86 S 4.7801 8.5746 122.5185 57.2823 64.9890 173.3290 87 V 4.5433 8.1860 122.1150 60.9838 34.3304 174.5317 88 V 4.4424 8.9630 127.7120 61.3350 33.5227 174.7193 89 T 4.2742 8.5048 117.6375 60.7182 71.3484 174.8660 90 G 3.6997 7.6161 109.9283 45.4951 0.0000 173.2469 91 V 4.1631 7.7247 120.8457 61.9716 32.2074 174.6832 92 Y 4.7313 7.8704 123.6254 55.6055 41.4944 173.4226 93 G 3.7289 8.6018 104.3609 44.0648 0.0000 172.5877 94 R 4.5329 8.3526 117.9066 56.2099 31.9569 178.2246 95 I 3.7215 8.5074 127.0122 64.2287 37.0489 178.8320 96 S 4.1236 8.2636 115.5066 61.8055 62.5528 176.5403 97 D 4.3228 7.9654 121.9471 56.8155 40.6392 178.6315 98 V 3.5160 7.7613 118.8170 66.1136 31.4909 178.2322 99 I 3.7659 7.8097 119.4996 64.1562 36.8641 178.3693 100 K 3.9348 7.9542 119.9990 59.3290 31.9394 178.6962 101 A 3.9417 8.2080 121.2055 55.0891 18.3433 179.1110 102 F 3.9209 8.7786 119.4086 61.7762 39.2383 177.2134 103 I 3.7896 7.8851 117.9075 64.0902 36.9167 177.5863 104 G 4.0253 7.6425 103.6649 43.8985 0.0000 174.1272 105 G 3.8688 7.5707 106.4051 45.8311 0.0000 175.2884 106 K 4.5776 7.5206 116.4636 54.3439 32.1566 175.7283 107 L 4.2153 7.5311 120.9033 54.0528 43.5147 176.0964 108 K 4.3287 8.3432 124.8360 55.3429 32.1005 175.9799 109 I 4.4778 7.9632 125.0689 59.3833 39.0442 175.8138 110 D 4.7078 9.3907 125.8426 53.0785 39.8419 176.1450 111 Y 4.2508 8.4624 124.6349 60.4559 38.2167 177.3996 112 D 4.8641 8.4402 118.9223 53.6157 41.0533 178.1201 113 W 4.3577 7.9033 117.5177 57.7257 27.9754 176.8600 114 K 3.7062 7.1406 119.7150 57.9372 32.2122 175.8735 115 E 4.1301 7.6449 120.5845 56.3840 29.6744 176.1703 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 4.53 0.00 2.13 2.35 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.55 0.00 2 R 8.41 4.92 0.00 2.01 1.98 0.00 3.17 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.84 0.00 3 V 9.32 4.88 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 0.51 0.00 0.00 0.77 0.00 0.00 4 A 8.80 4.88 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.32 5.00 1.73 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 1.12 0.31 0.78 0.00 0.00 6 P 0.00 3.44 0.00 1.77 1.66 0.00 3.67 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 7 A 8.31 4.98 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.75 4.13 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 2.30 2.27 0.00 9 D 7.84 4.91 0.00 2.56 2.37 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 10 D 7.60 3.90 0.00 2.34 1.54 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 11 R 7.82 4.11 0.00 1.79 1.90 0.00 3.22 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.53 0.00 12 G 7.42 3.74 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 0.00 0.00 0.00 13 I 8.27 3.89 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 1.40 0.53 0.90 0.00 0.00 14 K 7.71 4.29 0.00 1.90 1.85 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.33 7.81 15 S 7.85 4.53 0.00 3.80 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 16 N 8.30 5.24 0.00 2.77 2.65 0.00 0.00 6.43 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 17 V 8.11 4.15 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 0.80 0.00 0.00 0.86 0.00 0.00 18 S 8.71 4.24 0.00 3.88 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 19 K 8.90 4.13 0.00 1.64 1.83 0.00 1.40 0.00 0.00 1.46 0.00 0.00 2.55 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.97 1.25 7.81 20 H 7.71 5.11 0.00 3.15 3.25 0.00 5.62 0.00 0.00 0.00 0.00 6.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.80 4.05 0.00 3.17 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.11 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 23 R 7.54 4.18 0.00 1.79 1.96 0.00 3.26 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 24 S 7.37 4.24 0.00 3.80 3.83 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 25 R 8.37 4.44 0.00 1.39 1.44 0.00 3.14 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.43 0.00 26 Y 7.70 5.39 0.00 2.77 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 27 F 9.35 4.91 0.00 3.15 2.58 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 0.00 28 V 8.73 4.85 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 0.95 0.00 0.00 0.89 0.00 0.00 29 F 9.33 5.14 0.00 3.05 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 9.27 4.82 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 1.07 0.00 0.00 0.90 0.00 0.00 31 D 9.17 5.20 0.00 2.73 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.85 4.94 1.96 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 1.28 0.64 1.04 0.00 0.00 33 E 9.43 4.50 0.00 1.91 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 2.37 0.00 34 G 8.25 3.79 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 0.00 0.00 0.00 35 E 9.04 4.37 0.00 1.97 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 2.27 2.32 0.00 36 D 8.05 4.81 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 37 V 8.26 4.29 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 0.82 0.00 0.00 0.95 0.00 0.00 38 K 9.04 4.34 0.00 1.77 1.86 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.54 7.81 39 N 7.80 4.79 0.00 2.74 2.62 0.00 0.00 6.63 7.71 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 40 V 8.51 4.91 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 0.87 0.00 0.00 0.95 0.00 0.00 41 E 9.32 4.68 0.00 2.12 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 42 V 8.79 4.85 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.96 0.00 0.00 43 V 8.88 4.89 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 0.92 0.00 0.00 1.33 0.00 0.00 44 E 8.78 5.08 0.00 1.80 1.83 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 2.30 2.30 0.00 45 V 8.04 3.45 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 1.01 0.00 0.00 46 P 0.00 4.15 0.00 1.83 1.73 0.00 3.04 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.03 0.00 47 F 8.95 3.98 0.00 3.11 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 *53 G 8.70 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 0.00 0.00 0.00 54 D 7.66 4.29 0.00 2.66 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.77 3.95 0.00 1.72 1.97 0.52 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 3.78 0.00 1.68 1.32 0.00 3.24 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.20 0.00 57 N 8.04 4.40 0.00 3.06 2.90 0.00 0.00 6.62 7.85 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 58 F 8.57 4.13 0.00 2.97 3.25 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 59 I 8.15 3.90 2.45 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.11 1.13 0.00 0.00 60 K 8.45 3.90 0.00 2.00 1.86 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.56 7.81 61 D 8.27 4.29 0.00 2.72 2.58 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 0.00 62 H 7.55 4.24 0.00 2.53 2.07 0.00 5.88 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 63 G 8.07 3.83 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 0.00 0.00 0.00 64 A 7.75 4.48 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 65 K 8.83 4.65 0.00 1.74 1.84 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.41 7.81 66 I 7.63 4.98 1.78 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 1.25 0.89 0.80 0.00 0.00 67 V 8.43 4.61 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 0.68 0.00 0.00 0.42 0.00 0.00 68 L 8.40 4.95 0.00 1.37 1.42 0.43 0.41 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 69 T 9.16 4.23 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 1.09 0.00 0.00 70 Y 8.34 4.29 0.00 3.09 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 71 G 6.90 3.77 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 0.00 72 I 7.63 4.73 1.74 0.00 0.00 0.41 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 0.58 0.60 0.00 0.00 73 G 8.53 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 0.00 0.00 0.00 74 R 8.62 3.99 0.00 1.97 2.01 0.00 3.40 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.76 0.00 75 R 8.15 4.07 0.00 2.03 1.99 0.00 3.36 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.88 0.00 76 A 8.06 3.99 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 77 I 7.84 3.82 2.12 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.79 0.97 0.00 0.00 78 E 8.56 4.01 0.00 2.22 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 2.37 2.49 0.00 79 Y 8.37 3.82 0.00 3.25 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 80 F 8.63 4.33 0.00 3.44 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 81 N 8.93 4.63 0.00 3.10 2.91 0.00 0.00 6.31 8.41 0.00 0.00 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 S 8.25 4.19 0.00 3.88 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 83 L 7.34 4.57 0.00 1.97 1.82 1.15 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.05 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.07 4.71 2.29 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.56 0.90 0.00 0.00 86 S 8.57 4.78 0.00 3.81 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 87 V 8.19 4.54 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 0.51 0.00 0.00 0.60 0.00 0.00 88 V 8.96 4.44 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 0.92 0.00 0.00 0.97 0.00 0.00 89 T 8.50 4.27 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 0.96 0.00 0.00 90 G 7.62 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.72 4.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.86 0.00 0.00 92 Y 7.87 4.73 0.00 2.96 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 93 G 8.60 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 94 R 8.35 4.53 0.00 1.86 1.76 0.00 3.16 0.00 0.00 3.31 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.68 0.00 95 I 8.51 3.72 1.81 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.75 0.84 0.00 0.00 96 S 8.26 4.12 0.00 4.02 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 0.00 97 D 7.97 4.32 0.00 2.82 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.76 3.52 2.17 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 0.95 0.00 0.00 0.86 0.00 0.00 99 I 7.81 3.77 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 1.35 0.38 0.94 0.00 0.00 100 K 7.95 3.93 0.00 1.80 1.94 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.46 7.81 101 A 8.21 3.94 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 0.00 102 F 8.78 3.92 0.00 3.19 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 0.00 103 I 7.89 3.79 2.04 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 1.55 0.95 1.00 0.00 0.00 104 G 7.64 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 G 7.57 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 0.00 0.00 0.00 106 K 7.52 4.58 0.00 1.65 1.72 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.32 7.81 107 L 7.53 4.22 0.00 1.59 1.55 1.03 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.34 4.33 0.00 1.57 1.70 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.43 7.81 109 I 7.96 4.48 1.26 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 1.20 0.73 0.67 0.00 0.00 110 D 9.39 4.71 0.00 2.80 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 0.00 111 Y 8.46 4.25 0.00 3.07 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 0.00 112 D 8.44 4.86 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 0.00 113 W 7.90 4.36 0.00 2.43 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 0.00 114 K 7.14 3.71 0.00 0.96 1.48 0.00 0.84 0.00 0.00 1.22 0.00 0.00 2.84 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.00 0.41 7.81 115 E 7.64 4.13 0.00 2.06 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.47 0.00 * Residues marked with a * may have inaccurate shift predictions.