NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5392 8.1627 120.2737 55.1458 33.8851 173.7830 2 K 4.8257 8.5873 124.9908 54.2273 35.2258 173.5657 3 I 4.5839 9.7654 129.9259 59.4372 40.4627 174.3014 4 D 5.0836 8.7528 126.9654 54.3747 41.7089 175.8651 5 I 4.3517 8.1681 122.4365 60.3998 41.3093 176.4739 6 L 3.7930 8.3856 124.0750 55.9731 39.9420 174.6767 7 D 4.7308 9.0619 117.2519 56.3865 40.2202 178.1707 8 K 4.4663 8.0567 114.8987 55.7548 34.5020 175.8828 9 G 4.2055 8.2379 108.3887 45.5913 0.0000 172.7964 10 F 5.4151 7.9317 112.8004 55.9508 41.8799 173.1720 11 V 4.8847 9.0519 119.8732 61.1975 34.4019 173.6892 12 E 5.1506 9.4684 129.0948 54.2005 32.5831 174.2473 13 L 4.3395 8.9648 130.0207 55.0496 42.2185 176.1514 14 V 3.9602 8.5863 127.2985 64.9042 32.3147 175.1076 15 D 4.8497 7.5349 117.7360 53.1285 45.0744 173.6881 16 V 4.5034 7.9198 120.0596 60.2494 34.6891 173.6339 17 M 4.1786 9.0011 124.4739 56.0035 33.8935 175.8381 18 G 4.0710 10.2648 113.4208 45.1502 0.0000 169.7599 19 N 4.6725 7.9785 113.5414 51.2616 39.6594 174.1501 20 D 4.5142 8.6275 116.4791 58.2791 40.6837 178.7948 21 L 4.1291 8.4305 119.4153 57.5668 41.5263 179.5355 22 S 4.1739 8.1809 115.0861 61.5337 62.6192 176.5431 23 A 4.2017 7.7999 124.7455 54.3903 18.0780 179.9453 24 V 3.5042 7.6336 116.3274 66.2426 31.8048 178.2390 25 R 3.9897 8.4434 118.0176 59.1747 29.9024 178.9761 26 A 3.8014 7.9193 120.1324 55.1208 18.2071 179.3080 27 A 3.9044 7.8180 118.0571 55.4412 18.5376 179.4572 28 R 4.0453 7.9437 113.3927 55.6483 31.6980 176.5325 29 V 3.2132 7.4095 118.0932 62.9511 30.1356 173.2490 30 S 4.3131 8.1488 112.9074 56.9725 65.5528 173.5102 *31 F 3.9443 8.6395 132.8872 58.6077 37.1781 175.2241 *36 K 4.2069 7.7702 128.6834 53.2593 34.1553 174.3586 37 D 4.5956 7.9866 125.6260 51.5571 43.9018 175.2467 38 E 3.7826 8.7150 127.4625 59.4248 29.7858 178.3317 39 E 3.8073 7.9250 117.8300 59.4839 29.6556 179.4905 40 R 3.9869 7.9782 117.5987 59.0890 30.2108 178.7068 41 D 4.3999 8.6500 119.2636 57.3570 40.7972 178.8831 42 R 3.7721 7.9839 118.9874 59.4044 29.8982 178.5522 43 H 4.2229 8.2989 118.0137 59.1275 29.7888 176.9846 44 L 3.9129 8.0458 122.0696 58.2830 41.9598 178.8729 45 I 3.9948 7.9100 119.6736 64.8034 37.0785 178.2962 46 E 4.1708 8.6235 119.3879 59.4093 29.2482 178.8440 47 Y 3.8516 8.2676 119.7824 60.5942 38.9074 177.9470 48 L 4.1248 8.5611 120.3264 58.1935 41.6828 179.2582 49 M 4.1336 8.3012 117.9844 58.6294 31.9928 178.1182 50 K 3.5884 7.8410 118.9774 58.9187 32.2248 177.4943 51 H 4.6464 7.4633 113.5036 54.5024 28.8686 175.1198 52 G 3.8993 7.3666 108.1557 46.9555 0.0000 174.9998 53 H 4.7276 8.0352 118.9143 54.6289 27.4597 174.8665 54 E 4.8626 8.4034 123.0380 57.1092 30.8845 178.6782 55 T 4.1448 8.0087 110.0291 64.3504 68.4912 174.4632 56 P 4.3256 0.0000 0.0000 65.0236 31.1880 177.8350 57 F 4.5545 7.8535 115.3479 59.0565 38.7211 176.7761 58 E 4.3427 8.1247 117.8379 58.3235 29.4381 177.4637 59 H 4.6141 7.9711 114.5474 55.0355 29.5632 174.2708 60 I 4.6009 7.2273 123.6743 59.5543 39.3225 174.9174 61 V 4.7840 8.2262 125.9743 61.0504 35.1612 174.0740 62 F 5.0180 9.2443 125.3532 55.8287 42.7741 174.1465 63 T 4.9812 8.4660 118.5732 61.9143 71.0054 173.4713 64 F 5.2455 9.4385 125.2811 55.9510 42.6759 174.0857 65 H 4.9391 9.2770 121.0572 54.3763 32.1907 172.6654 66 V 4.5374 8.3014 125.8550 60.6325 34.7969 173.8278 67 K 4.6828 7.9298 128.5117 54.5023 34.1440 174.5712 68 A 5.3508 9.2318 128.1276 50.5081 23.2402 173.6887 69 P 4.2640 0.0000 0.0000 62.1106 32.4222 177.5271 70 I 3.4552 8.5135 122.7302 64.7188 36.7939 178.7531 71 F 4.1728 8.3993 115.2488 59.8769 37.4397 177.8441 72 V 3.1787 6.4110 117.9689 65.6211 31.3841 177.6863 73 A 3.8473 7.7547 120.5706 55.1578 17.8383 179.8486 74 R 3.7162 7.8044 116.0845 59.3078 30.4557 179.0186 75 Q 4.1402 7.6444 117.5891 58.5510 28.7055 178.4925 76 W 4.1545 8.2599 129.3902 60.5764 30.6689 177.6446 77 F 3.6437 8.5476 114.6291 58.6333 38.2442 176.8575 78 R 4.4423 7.7623 117.4808 56.9889 30.3616 176.4090 79 H 4.6486 8.2937 116.6547 55.1096 27.6135 175.2779 80 R 4.2983 8.5605 124.3595 58.1555 30.4964 177.9423 81 I 4.1658 7.5468 119.1841 58.1275 35.6531 174.0928 82 A 4.3977 7.0223 125.4045 51.8029 21.8602 175.4592 83 S 4.8045 8.3149 114.7373 57.0750 66.8116 173.4351 84 Y 5.3449 8.5046 119.3932 56.5178 41.9582 174.5242 85 N 5.2140 9.4332 119.6932 51.7419 42.9858 173.0683 86 E 5.3735 8.9379 123.7236 53.7889 33.0098 174.9560 87 L 4.1329 8.7198 127.8084 55.7138 43.0343 176.1320 88 A 4.6276 8.7527 128.9359 50.4128 19.9218 178.0667 89 G 3.7162 8.6555 112.8049 48.5218 0.0000 174.8162 90 R 3.8849 7.7489 118.1447 58.2266 30.1982 176.7789 91 Y 4.7856 7.6847 113.0366 57.3813 40.2405 175.6158 92 S 4.8674 7.8388 113.7509 55.6334 65.2664 173.8241 93 K 4.2181 8.6148 124.4714 56.3922 32.3927 176.3834 94 L 4.4099 8.7880 127.2448 54.3798 42.3769 177.2015 95 S 4.5354 8.4818 118.9702 58.4221 63.9153 174.9021 96 Y 4.0010 8.2980 124.9713 57.4523 36.1837 174.2499 97 E 4.5239 7.2402 119.9469 54.3741 33.7965 175.3777 98 F 5.2628 8.6811 122.2540 55.7127 43.3482 173.7477 99 Y 5.1616 9.0173 124.2165 56.4558 39.3763 174.8030 100 I 4.1094 8.4468 128.1185 58.4679 38.7598 173.9754 101 P 4.0771 0.0000 0.0000 62.2768 32.0064 176.7761 102 S 4.4055 8.3540 115.5946 57.2444 64.2017 173.2433 103 P 4.2064 0.0000 0.0000 66.0534 30.7216 178.4900 104 E 3.9939 8.1261 117.0613 58.6576 29.3214 178.4443 105 R 3.3844 7.6455 118.3687 58.5024 30.4277 176.7520 106 L 4.7207 7.7193 116.1794 54.2548 42.9044 176.2002 107 E 4.1698 7.3322 119.3814 57.6293 29.9927 175.6127 108 G 4.1083 9.0591 114.5068 46.4706 0.0000 173.9423 109 Y 4.0282 7.3565 117.7812 56.6620 38.0878 175.4184 110 K 4.0888 8.7738 127.0821 56.5992 32.3134 175.8220 111 T 4.7419 8.2058 116.4174 59.8913 71.2699 174.3868 112 T 4.1631 8.4251 112.4626 62.8000 69.5523 174.4509 113 I 4.6104 7.2324 114.5630 57.7758 40.6496 173.3820 114 P 4.3034 0.0000 0.0000 62.4566 31.9231 175.6572 115 P 4.2066 0.0000 0.0000 65.9312 31.1970 178.4349 116 E 3.8944 8.3100 116.7176 59.8823 29.3702 179.4992 117 R 3.9383 8.1010 118.3164 59.0244 30.1113 178.6693 118 V 3.5205 7.6058 117.8094 66.1718 31.5106 177.7632 119 T 3.7757 8.0047 115.6010 66.6889 68.2844 175.9942 120 E 3.8847 8.1106 120.8841 59.2983 29.5320 178.9104 121 K 3.9041 8.5024 118.7299 59.5770 32.1043 179.4111 122 I 3.6351 7.7289 119.9308 64.4473 37.0487 178.4818 123 S 4.0438 8.2521 114.1826 61.1023 62.1471 175.7467 124 E 3.9293 8.3498 122.4823 59.3007 29.4432 178.9552 125 I 3.7134 7.5056 113.1049 63.7458 37.6483 178.0099 126 V 3.1572 7.5591 120.1474 65.8768 31.2501 177.4941 127 D 4.4913 8.1321 117.3610 57.2924 41.1545 178.4036 128 K 3.9456 8.1276 118.7208 59.3892 32.0360 179.1582 129 A 4.0201 8.4450 121.3830 55.4594 18.3103 178.9681 130 Y 4.2211 8.5030 118.4626 60.9511 38.7587 178.4059 131 R 3.8721 8.1425 119.6202 59.6015 30.1812 178.7069 132 T 3.8095 7.8988 115.3071 66.7183 68.4387 175.6191 133 Y 4.2098 8.1379 121.6709 61.1722 38.6356 178.5669 134 L 3.4903 7.7797 119.3519 57.4747 41.5818 179.3254 135 E 3.8733 8.2445 118.6973 59.4079 29.4361 179.4265 136 L 3.9037 8.1657 119.1523 57.7894 41.6614 179.4207 137 I 3.6564 7.4953 119.7028 64.7169 36.8452 178.1246 138 E 3.8920 8.0732 117.9337 59.7490 29.3760 179.4801 139 S 4.2970 7.9604 113.7479 59.6793 62.9309 175.2407 140 G 3.9960 7.8425 109.4864 44.8532 0.0000 173.7811 141 V 3.7272 7.4879 120.2738 61.4451 32.1511 174.5431 142 P 4.2342 0.0000 0.0000 63.1591 32.9998 177.2497 143 R 3.9957 8.7283 120.9088 59.6097 29.8789 179.1206 144 E 3.9460 8.1621 115.5236 58.9272 29.6602 178.7109 145 V 3.9146 7.5264 118.0322 65.1999 32.3342 177.3906 146 A 4.1225 8.3297 121.1663 55.2432 18.1920 179.2265 147 R 4.1069 8.3913 113.1705 57.7560 29.4998 178.4023 148 I 3.8577 7.7408 113.7501 63.2756 37.7341 177.5111 149 V 3.9483 7.2020 111.8479 61.2816 32.0783 176.1185 150 L 4.3290 7.3934 120.3097 53.5071 42.3777 175.2703 151 P 4.6337 0.0000 0.0000 62.1157 32.4812 177.0153 152 L 4.2865 8.4559 118.4275 57.2794 42.4715 178.2665 153 N 5.1178 8.4339 115.3126 52.9093 38.7995 174.7592 154 L 3.8259 8.0905 123.4562 55.9288 43.1917 175.6011 155 Y 4.5284 8.5105 124.5722 58.0007 38.8155 174.6970 156 T 4.7215 9.4375 118.7726 60.1686 71.7170 172.1849 157 R 5.1867 8.3615 122.5837 54.5555 33.6376 173.5343 158 F 5.6703 8.7754 119.8548 55.6572 42.2174 172.9941 159 F 5.1312 9.7983 119.3482 56.2939 40.9670 174.7611 160 W 5.3040 9.4438 133.2778 56.0023 33.6344 173.8887 161 T 5.0962 8.8275 124.7873 61.6646 70.6843 173.7251 162 V 4.5132 8.2548 125.6286 59.9400 35.1154 174.5913 163 N 5.0142 8.5062 119.9946 51.5669 39.1662 175.8948 164 A 3.7963 8.8279 120.9868 54.7736 18.2441 180.2841 165 R 3.7755 8.0389 117.2685 59.8336 30.4137 178.5678 166 S 4.1880 8.7624 113.3086 61.1048 62.2416 175.8085 167 L 3.9244 7.9407 123.5733 58.1386 41.7086 178.8582 168 M 3.5597 7.7436 118.8775 57.8573 31.8537 178.0041 169 N 4.3507 8.1106 117.3073 56.8186 39.0820 176.3027 170 F 4.0595 8.3526 121.8362 61.6795 39.3838 177.1876 171 L 4.0385 8.4725 118.4538 57.8119 41.1687 179.1814 172 N 4.5033 8.3220 115.8352 56.3112 38.5913 176.7818 173 L 4.2517 7.6597 118.2092 56.3936 42.2664 178.4319 174 R 4.1466 7.8926 117.0107 56.3860 32.1763 176.4373 175 A 4.5481 7.4698 123.0934 49.6256 17.2506 175.8108 176 D 4.8167 7.2301 120.0405 52.3303 44.5725 176.2205 177 S 4.3620 9.0917 120.5545 60.5033 63.2053 175.0010 178 H 4.3909 8.0447 117.6636 57.8411 28.9037 175.9247 179 A 4.1927 7.6431 121.6496 51.3256 19.0022 177.5215 180 Q 4.1912 8.4777 120.7564 55.8198 30.9780 177.1569 181 W 4.3115 9.1643 135.0000 61.0254 30.6545 178.0288 182 E 3.8462 8.6148 117.7533 59.5341 29.0380 178.9494 183 I 3.9299 7.6937 117.5884 63.3632 38.1281 177.4957 184 Q 4.1767 7.7756 120.7347 58.5002 28.0588 178.9518 185 Q 3.6990 7.3794 118.3253 58.9963 28.4781 178.4651 186 Y 3.9112 7.6583 116.1577 60.9695 37.8702 178.4693 187 A 4.1511 8.0292 121.7131 55.0794 18.4040 179.7160 188 L 3.9284 7.9981 117.4320 57.7035 41.7796 179.4785 189 A 3.9592 7.6353 120.1041 55.2702 18.3039 179.5808 190 I 3.5366 8.0060 118.1891 64.6169 37.1190 178.4940 191 A 4.2113 8.2729 121.5162 55.2057 18.2252 179.6710 192 R 3.6403 8.0347 117.1928 59.5410 30.1811 178.9084 193 I 3.7303 7.7095 119.3245 64.3519 37.0747 178.1004 194 F 4.2957 8.3868 121.6888 61.2881 39.0304 177.0739 195 K 3.2869 7.9388 119.4669 59.1537 31.5611 178.7496 196 E 3.9660 7.6395 118.0131 59.3078 29.5075 179.0277 197 K 4.2566 8.0699 116.9995 57.7816 33.9691 177.2084 198 C 4.9789 8.1755 116.1352 56.7601 28.7763 172.8441 199 P 4.4158 0.0000 0.0000 65.1645 31.3293 178.8273 200 W 4.4872 8.6400 118.8955 59.8507 29.0634 178.6679 201 T 4.0057 8.5116 115.7613 66.6262 67.8380 176.4671 202 F 4.0196 8.0601 122.3948 61.2906 39.4046 176.9407 203 E 3.9335 8.5702 118.0209 59.4837 29.2893 179.3087 204 A 4.1381 8.3353 120.7815 54.9571 18.3659 179.1703 205 F 4.2102 8.7083 119.6350 61.8001 39.2177 177.3795 206 L 3.4964 7.5194 117.0843 57.5710 41.4168 179.2419 207 K 3.8892 7.7035 118.5174 58.5688 32.1181 177.1204 208 Y 4.7292 7.8741 113.7814 57.7687 40.4807 176.0537 209 A 4.6268 7.8389 119.3899 52.2892 21.3569 175.7131 210 Y 3.9421 7.6338 117.8529 57.7814 38.7873 175.7675 211 K 4.0324 8.7892 126.3313 56.1348 32.9404 176.7630 212 G 3.6756 5.3800 108.3042 43.8805 0.0000 172.6930 213 D 4.8888 8.4790 116.1014 52.9117 41.1955 177.1118 214 I 4.1178 7.9208 113.6497 63.2396 38.3921 177.9868 215 L 4.0082 8.1285 120.0347 56.9300 41.4486 178.2664 216 K 4.1920 8.1605 116.2808 57.7493 32.3628 177.1458 217 E 4.5019 8.2181 117.0560 56.0388 30.6327 176.1720 218 V 4.0076 7.6453 123.1131 62.8632 31.8765 174.7800 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 4.54 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 2 K 8.59 4.83 0.00 1.67 1.53 0.00 1.54 0.00 0.00 1.41 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.13 1.31 7.81 3 I 9.77 4.58 1.88 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 1.23 0.71 0.88 0.00 0.00 4 D 8.75 5.08 0.00 2.57 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.17 4.35 1.04 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 1.14 0.29 0.03 0.00 0.00 6 L 8.39 3.79 0.00 1.97 1.81 0.55 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 7 D 9.06 4.73 0.00 2.95 3.11 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 8 K 8.06 4.47 0.00 0.79 1.31 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.25 1.42 7.81 9 G 8.24 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.93 5.42 0.00 3.05 3.07 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 0.00 0.00 0.00 0.00 11 V 9.05 4.88 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 1.03 0.00 0.00 1.17 0.00 0.00 12 E 9.47 5.15 0.00 1.90 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 2.14 2.13 0.00 13 L 8.96 4.34 0.00 1.66 1.54 0.73 0.92 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 14 V 8.59 3.96 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 0.81 0.00 0.00 0.50 0.00 0.00 15 D 7.53 4.85 0.00 2.66 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 16 V 7.92 4.50 1.67 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 0.57 0.00 0.00 0.23 0.00 0.00 17 M 9.00 4.18 0.00 1.94 1.84 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 18 G 10.26 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 N 7.98 4.67 0.00 2.69 2.81 0.00 0.00 7.42 8.59 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 20 D 8.63 4.51 0.00 2.25 2.97 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 21 L 8.43 4.13 0.00 1.83 1.74 0.97 1.42 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 22 S 8.18 4.17 0.00 4.03 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 23 A 7.80 4.20 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 24 V 7.63 3.50 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 1.10 0.00 0.00 1.08 0.00 0.00 25 R 8.44 3.99 0.00 1.95 2.00 0.00 3.18 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.86 0.00 26 A 7.92 3.80 1.13 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 0.00 0.00 27 A 7.82 3.90 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.94 4.05 0.00 1.79 1.96 0.00 3.31 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 29 V 7.41 3.21 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108 G 9.06 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 0.00 109 Y 7.36 4.03 0.00 3.14 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 0.00 110 K 8.77 4.09 0.00 1.98 1.77 0.00 1.83 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.42 1.00 7.81 111 T 8.21 4.74 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 0.00 112 T 8.43 4.16 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 0.00 113 I 7.23 4.61 1.86 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 1.39 0.72 0.90 0.00 0.00 114 P 0.00 4.30 0.00 2.18 2.02 0.00 3.60 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 2.11 2.11 0.00 115 P 0.00 4.21 0.00 2.13 2.20 0.00 3.62 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 2.11 2.19 0.00 116 E 8.31 3.89 0.00 2.08 2.02 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 2.41 1.97 0.00 117 R 8.10 3.94 0.00 1.94 1.90 0.00 3.25 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 118 V 7.61 3.52 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 0.94 0.00 0.00 0.89 0.00 0.00 119 T 8.00 3.78 4.41 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 0.00 0.00 0.00 1.17 0.00 0.00 120 E 8.11 3.88 0.00 2.03 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 0.00 2.29 2.35 0.00 121 K 8.50 3.90 0.00 1.85 1.81 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.57 1.61 7.81 122 I 7.73 3.64 1.92 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.76 0.82 0.00 0.00 123 S 8.25 4.04 0.00 3.92 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 0.00 124 E 8.35 3.93 0.00 2.17 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 2.29 2.31 0.00 125 I 7.51 3.71 1.83 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 1.65 0.73 0.88 0.00 0.00 126 V 7.56 3.16 2.12 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 0.27 0.00 0.00 0.70 0.00 0.00 127 D 8.13 4.49 0.00 3.03 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 0.00 128 K 8.13 3.95 0.00 2.01 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.62 7.81 129 A 8.44 4.02 1.37 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 0.00 130 Y 8.50 4.22 0.00 3.39 3.15 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 0.00 131 R 8.14 3.87 0.00 2.07 2.10 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.66 0.00 132 T 7.90 3.81 4.44 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 1.23 0.00 0.00 133 Y 8.14 4.21 0.00 2.99 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 7.78 3.49 0.00 1.69 1.51 0.92 0.62 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 0.00 135 E 8.24 3.87 0.00 2.15 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 2.29 2.49 0.00 136 L 8.17 3.90 0.00 1.70 1.67 0.95 0.81 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 0.00 137 I 7.50 3.66 1.66 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 1.01 0.10 0.76 0.00 0.00 138 E 8.07 3.89 0.00 2.27 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 2.35 2.24 0.00 139 S 7.96 4.30 0.00 3.99 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 0.00 140 G 7.84 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 0.00 0.00 0.00 141 V 7.49 3.73 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 0.81 0.00 0.00 0.91 0.00 0.00 142 P 0.00 4.23 0.00 2.19 1.99 0.00 3.66 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 143 R 8.73 4.00 0.00 1.86 2.21 0.00 3.18 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.72 0.00 144 E 8.16 3.95 0.00 2.04 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 2.25 2.35 0.00 145 V 7.53 3.91 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 1.06 0.00 0.00 0.93 0.00 0.00 146 A 8.33 4.12 1.40 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 0.00 0.00 147 R 8.39 4.11 0.00 1.98 2.17 0.00 2.83 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 2.03 0.00 148 I 7.74 3.86 1.88 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 1.73 0.61 0.96 0.00 0.00 149 V 7.20 3.95 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 0.80 0.00 0.00 1.11 0.00 0.00 150 L 7.39 4.33 0.00 1.71 1.75 0.36 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 151 P 0.00 4.63 0.00 2.40 2.19 0.00 3.97 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 2.33 1.89 0.00 152 L 8.46 4.29 0.00 1.65 1.89 0.91 0.55 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 0.00 153 N 8.43 5.12 0.00 3.19 3.25 0.00 0.00 5.90 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 0.00 154 L 8.09 3.83 0.00 1.94 1.57 0.35 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 155 Y 8.51 4.53 0.00 2.86 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 0.00 156 T 9.44 4.72 4.16 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 1.19 0.00 0.00 157 R 8.36 5.19 0.00 1.92 1.80 0.00 3.41 0.00 0.00 3.39 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.53 0.00 158 F 8.78 5.67 0.00 3.43 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 0.00 159 F 9.80 5.13 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 0.00 160 W 9.44 5.30 0.00 3.27 3.11 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 0.00 161 T 8.83 5.10 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 1.11 0.00 0.00 162 V 8.25 4.51 1.39 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 -0.42 0.00 0.00 0.57 0.00 0.00 163 N 8.51 5.01 0.00 3.18 2.92 0.00 0.00 6.08 7.25 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 0.00 164 A 8.83 3.80 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 R 8.04 3.78 0.00 2.01 2.14 0.00 3.34 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.78 0.00 166 S 8.76 4.19 0.00 3.92 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 0.00 167 L 7.94 3.92 0.00 1.55 1.36 0.69 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 168 M 7.74 3.56 0.00 1.46 1.97 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 1.45 0.00 169 N 8.11 4.35 0.00 2.94 3.12 0.00 0.00 6.81 7.74 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 0.00 170 F 8.35 4.06 0.00 3.16 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 0.00 171 L 8.47 4.04 0.00 2.14 1.99 1.15 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 172 N 8.32 4.50 0.00 3.05 2.93 0.00 0.00 7.04 7.47 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 0.00 173 L 7.66 4.25 0.00 1.57 1.65 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 174 R 7.89 4.15 0.00 0.88 1.28 0.00 2.95 0.00 0.00 2.91 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.50 0.00 175 A 7.47 4.55 1.37 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 0.00 176 D 7.23 4.82 0.00 2.83 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 0.00 177 S 9.09 4.36 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 0.00 178 H 8.04 4.39 0.00 3.24 3.41 0.00 5.85 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 A 7.64 4.19 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 0.00 180 Q 8.48 4.19 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.77 0.00 0.00 0.00 0.00 0.00 2.90 2.61 0.00 181 W 9.16 4.31 0.00 3.50 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 E 8.61 3.85 0.00 2.29 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.68 0.00 183 I 7.69 3.93 1.75 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.10 0.81 0.00 0.00 184 Q 7.78 4.18 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.58 0.00 0.00 0.00 0.00 0.00 2.58 2.45 0.00 185 Q 7.38 3.70 0.00 1.71 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 186 Y 7.66 3.91 0.00 3.20 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 0.00 187 A 8.03 4.15 1.23 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 0.00 0.00 188 L 8.00 3.93 0.00 1.81 1.69 0.85 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 189 A 7.64 3.96 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 0.00 190 I 8.01 3.54 2.09 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.82 0.78 0.00 0.00 191 A 8.27 4.21 1.58 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 0.00 0.00 192 R 8.03 3.64 0.00 1.99 2.10 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 193 I 7.71 3.73 2.21 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.88 1.06 0.00 0.00 194 F 8.39 4.30 0.00 2.84 3.15 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 0.00 195 K 7.94 3.29 0.00 0.79 1.41 0.00 1.30 0.00 0.00 1.36 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.14 1.05 7.81 196 E 7.64 3.97 0.00 2.47 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 2.34 2.22 0.00 197 K 8.07 4.26 0.00 2.09 1.93 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.68 1.82 7.81 198 C 8.18 4.98 0.00 2.83 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 P 0.00 4.42 0.00 2.34 2.34 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 1.73 1.75 0.00 200 W 8.64 4.49 0.00 3.51 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 T 8.51 4.01 4.30 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 1.18 0.00 0.00 202 F 8.06 4.02 0.00 2.60 3.02 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 0.00 203 E 8.57 3.93 0.00 2.36 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.61 0.00 204 A 8.34 4.14 1.59 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 0.00 0.00 205 F 8.71 4.21 0.00 3.05 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 0.00 206 L 7.52 3.50 0.00 1.51 1.46 0.69 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 207 K 7.70 3.89 0.00 1.72 1.47 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.63 1.16 7.81 208 Y 7.87 4.73 0.00 3.16 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 0.00 209 A 7.84 4.63 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 0.00 210 Y 7.63 3.94 0.00 1.43 2.36 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 0.00 211 K 8.79 4.03 0.00 1.59 1.67 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.53 7.81 212 G 5.38 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 0.00 0.00 0.00 213 D 8.48 4.89 0.00 2.73 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 0.00 214 I 7.92 4.12 1.92 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 1.63 0.92 0.95 0.00 0.00 215 L 8.13 4.01 0.00 0.94 1.50 0.63 0.79 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 0.00 216 K 8.16 4.19 0.00 1.83 1.88 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.56 7.81 217 E 8.22 4.50 0.00 2.35 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 2.26 2.09 0.00 218 V 7.65 4.01 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 0.82 0.00 0.00 1.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.