NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9991 8.3393 109.7490 44.8898 0.0000 172.8652 3 P 4.5481 0.0000 0.0000 60.5981 32.6254 173.4495 4 N 4.6536 8.4783 118.5428 52.3753 40.4678 175.3628 5 P 3.7741 0.0000 0.0000 62.3840 31.2386 175.5697 *7 K 4.0031 7.5899 118.0145 57.6323 32.9440 175.8826 *9 Y 4.4362 8.0612 116.1327 58.6745 37.6645 172.6876 10 P 4.7374 0.0000 0.0000 62.3834 30.5621 176.8035 11 I 4.3418 7.4590 118.7813 59.5942 39.1106 174.2833 12 E 3.9373 8.8508 125.2388 58.8762 29.1810 176.1752 13 G 4.0785 9.0381 119.8440 43.6350 0.0000 172.4314 14 N 3.9297 6.5548 119.5583 53.4987 38.8725 175.6382 15 K 4.1936 8.5407 124.1004 54.0062 33.4218 172.9427 16 S 4.6515 7.9434 116.4041 60.9681 65.1864 174.4503 17 V 4.3970 7.2085 119.1361 62.4969 31.4454 175.5768 18 Q 4.5978 9.2464 126.8427 53.8505 32.5845 174.9910 19 F 5.0517 8.5559 123.2139 57.5490 39.7693 176.1489 20 I 4.0927 8.8517 122.5589 64.2996 37.5811 178.5039 21 K 3.7710 8.2360 124.8929 59.4441 31.0508 179.6325 22 P 4.3942 0.0000 0.0000 66.3147 30.9438 177.8081 23 I 3.7665 7.8349 119.4417 64.1096 37.1372 177.8908 24 L 4.2558 8.4475 118.6149 56.3195 41.3491 178.3750 25 E 4.2127 8.2621 121.6763 58.3636 29.6748 178.6265 26 K 4.1543 7.4884 121.8664 59.0253 32.3721 183.2854 27 L 4.3240 7.1618 118.8981 54.3988 42.2798 176.5520 28 E 4.1074 8.6015 122.8675 57.0436 30.5120 176.2203 29 N 4.2958 8.8415 119.9588 53.8920 36.4656 173.1168 30 V 4.6888 7.4989 118.1369 61.2060 33.2817 174.4091 31 E 4.7144 8.8924 129.5253 54.3825 31.8399 174.8204 32 V 4.8075 8.4281 125.5191 61.0615 35.1045 174.3346 33 G 4.7441 8.2885 112.4119 43.1747 0.0000 173.6395 34 E 3.6630 8.3765 121.2572 57.8493 29.8284 177.5460 35 Y 3.1165 7.5253 117.4788 57.8600 36.6481 169.7026 36 S 4.8530 7.5683 117.0224 58.5538 63.8529 173.1649 37 Y 5.4763 9.6669 122.9421 55.4077 41.4192 173.8015 38 Y 4.8426 9.2086 121.2826 55.7169 42.1282 173.7120 39 D 4.9991 7.3630 124.7270 52.0819 42.9846 175.6347 40 S 3.8948 8.2805 122.0395 58.1519 62.4440 174.1900 41 K 4.1369 8.8120 128.2433 58.9143 32.1857 177.1762 42 N 4.9184 9.2191 111.5693 52.2633 40.9188 174.9518 43 G 4.1123 8.1138 106.8794 44.9584 0.0000 174.4539 44 E 4.1344 8.0068 117.4549 56.7402 30.3169 176.6550 45 T 4.9013 8.1590 109.7972 59.6414 70.6988 175.5180 46 F 3.8168 8.9113 125.2092 61.1481 40.1015 176.7461 47 D 4.2990 8.4292 119.9396 56.4890 38.7185 178.7099 48 K 4.0543 7.6458 116.2155 57.7906 32.1078 177.2667 49 Q 4.2112 8.4206 118.7518 55.8749 30.2123 175.3647 50 I 4.2261 6.9459 120.6688 60.5304 37.8356 175.5020 51 L 4.2095 7.7915 125.3102 53.1169 45.4891 176.0979 52 Y 3.0953 7.1640 117.3343 59.6357 35.1183 171.5646 53 H 4.7911 6.6308 116.3029 53.9966 31.1383 170.3098 54 Y 4.7899 7.6465 122.4250 54.9529 40.1858 175.2249 55 P 4.2095 0.0000 0.0000 65.7627 31.5519 177.5995 56 I 4.0664 7.7833 114.9170 61.8814 37.6515 175.6039 57 L 4.4326 8.5215 121.5323 55.2307 42.7941 178.0729 58 N 4.4177 8.0627 113.9950 52.4510 35.8647 179.4047 59 D 4.9385 7.5641 117.0146 54.1007 40.7321 176.0049 60 K 4.8148 9.3831 119.9598 54.5957 35.9655 174.9347 61 L 4.9406 8.8624 126.3353 53.4660 43.9265 174.7914 62 K 4.9632 8.9413 129.1581 54.7342 34.3333 174.7863 63 I 4.8054 8.3605 128.1096 59.4060 40.3962 175.6903 64 G 4.1678 8.6169 118.7003 45.8011 0.0000 172.1699 65 K 4.6250 8.3218 120.6828 55.0566 35.3470 175.9187 66 F 4.0988 7.7672 119.4360 58.9356 36.2291 173.9135 67 C 5.2175 9.1813 119.1743 57.9572 31.9659 174.4523 68 S 5.1362 8.8999 119.0200 57.1994 64.7128 173.1105 69 I 4.6259 8.2477 126.4159 59.4484 39.5572 176.1216 70 G 4.2039 8.3825 114.4484 43.6286 0.0000 170.9747 71 P 4.4279 0.0000 0.0000 63.8147 31.8043 177.6481 72 G 3.8496 8.5641 108.5032 46.2961 0.0000 173.7057 73 V 4.1598 7.4656 119.7769 63.5927 32.0915 175.2866 74 T 4.6895 9.1509 118.8057 59.8941 71.8770 172.8375 75 I 4.8313 7.9662 125.4029 59.7994 39.2482 174.7820 76 I 4.6016 8.4562 127.8283 59.8190 39.1140 175.6752 *78 N 4.7219 8.7425 121.1239 53.3071 40.3457 176.8616 79 G 4.0231 8.2138 106.0265 47.7007 0.0000 174.3602 80 A 3.5198 8.0308 122.7789 54.5605 18.5920 178.1496 81 N 4.5277 7.7770 112.6540 53.3344 39.3273 174.6209 82 H 4.3632 8.5051 119.3757 54.8863 29.9324 175.2446 83 R 3.9575 8.2852 123.1802 56.5813 30.3700 176.5354 *85 D 4.7466 8.4235 117.9182 52.6094 41.7820 176.0111 86 G 3.9864 7.5845 110.9005 44.0837 0.0000 172.1119 87 S 4.1799 8.8841 118.0910 59.2809 62.8012 174.3833 88 T 4.9181 8.3383 114.4989 60.8202 68.8630 173.3080 89 Y 4.2124 7.6110 124.0159 56.2104 39.7502 174.9437 90 P 4.5055 0.0000 0.0000 61.1742 29.6893 176.6808 91 F 4.0057 7.9534 121.7755 61.4101 39.4599 177.6434 92 N 5.0010 8.1155 115.2016 54.0678 37.8273 176.0758 93 L 3.8759 8.0564 119.8436 57.3657 41.5614 177.8910 94 F 4.7109 8.0855 113.7009 56.3353 40.1073 177.9013 95 G 3.6897 8.8905 111.8254 47.2973 0.0000 173.5398 96 N 4.0550 10.0694 110.0518 53.3092 34.7877 169.0913 97 G 4.3926 9.5562 110.9043 46.0809 0.0000 175.3743 98 W 4.6308 8.1698 118.9226 58.9240 29.3843 177.9689 99 E 4.2743 8.6041 118.1250 59.6250 28.9060 178.5872 100 K 4.1922 7.8649 118.7138 55.3919 31.5438 181.1829 101 H 4.6174 7.9052 116.4758 54.2407 29.4727 171.8536 *103 P 4.1479 0.0000 0.0000 61.8001 32.2964 176.6344 104 K 4.0678 8.9231 122.9146 57.3565 32.1570 178.0606 105 L 3.2796 7.3535 119.7944 55.8317 43.0848 178.3840 106 D 4.7289 8.1818 122.0265 57.0226 39.5274 178.6147 107 Q 4.3246 8.0637 114.7784 56.0368 28.2647 175.4466 108 L 4.6756 8.7391 118.2638 52.6823 43.5577 174.8545 109 P 4.2332 0.0000 0.0000 63.1470 31.7256 176.2701 110 I 4.3569 8.2146 123.5894 60.3869 39.6802 175.2745 111 K 4.3902 8.5088 128.0898 53.4573 33.0217 171.4670 112 G 4.0584 7.7279 102.2909 45.2704 0.0000 172.8576 113 D 4.8881 8.4466 120.0351 53.3482 43.5690 176.2334 114 T 4.6947 8.9059 116.4789 62.0646 71.4121 173.5973 115 I 4.7034 8.4322 127.7075 59.6633 40.0504 174.7489 116 I 4.3633 9.1559 130.1653 59.5631 38.7121 175.9477 117 G 3.9997 8.2714 119.4312 46.4276 0.0000 171.7352 118 N 4.5430 9.5048 119.6061 51.5184 41.0881 174.6143 119 D 5.2086 8.0184 118.6936 54.7897 40.1529 173.3596 120 V 4.7876 7.2344 119.0632 60.9422 34.9566 174.6180 121 W 5.1764 9.2356 135.0000 56.4358 32.0436 174.8791 122 I 4.3948 8.7055 129.8828 59.2941 38.6229 176.4001 123 G 3.8741 7.9804 115.7731 45.9823 0.0000 171.8793 124 K 4.3601 8.4614 119.9941 56.2938 33.8225 176.8072 125 D 4.5624 9.3077 124.5698 55.5928 38.9598 173.4585 126 V 4.5132 7.5110 117.3857 61.4296 34.4955 174.7147 127 V 4.8059 8.3356 126.2811 61.4200 33.9738 175.3102 128 I 4.2831 8.2857 129.6715 59.6388 39.5458 173.2319 *130 P 4.3286 0.0000 0.0000 63.9638 32.2101 175.5119 131 G 4.2053 8.2953 108.0546 44.8921 0.0000 175.0121 132 V 4.0816 7.5366 111.8859 61.0693 33.2761 175.5494 133 K 5.0856 9.8016 123.1895 54.7076 35.5051 175.0308 134 I 4.6382 9.9149 125.5615 59.1431 39.4533 175.7312 135 G 3.9056 8.9712 115.0669 45.8060 0.0000 173.0405 136 D 4.0649 8.7769 121.3772 55.0100 42.1707 177.2483 137 G 3.8840 8.5915 110.5426 45.8192 0.0000 172.5746 138 A 4.8916 7.3390 118.6348 50.1929 22.4364 177.1060 139 I 4.9112 8.1646 119.5083 59.5331 40.6865 174.6674 140 V 4.6972 8.8679 127.5271 60.7509 33.0721 175.0308 141 A 4.2258 8.8005 130.5985 51.5079 18.9073 176.8554 142 A 3.9140 8.5542 122.2057 51.9998 19.4017 176.7093 143 N 4.4821 8.2976 112.9035 53.1498 37.1127 174.7968 144 S 4.7166 7.6083 111.3874 57.3781 65.4691 173.0401 145 V 4.5218 8.7454 124.2170 60.8982 32.9765 173.6285 146 V 4.1404 8.4949 127.3626 62.3236 31.2336 175.8163 147 V 4.2754 8.4795 119.8817 61.2876 34.1277 175.7653 148 K 4.4762 7.7617 117.8894 55.3589 34.1927 175.6348 149 D 4.8924 8.4888 119.9653 53.8281 42.5747 176.6008 150 I 4.4390 8.1016 122.6501 59.2005 39.1408 175.4143 151 A 4.4072 8.5405 129.0529 51.2457 19.0342 175.3462 152 P 4.0620 0.0000 0.0000 63.9839 32.6132 176.4045 153 Y 4.2000 8.2152 114.4224 57.8290 35.2740 169.8392 *155 L 4.3491 7.9467 124.7553 54.7997 43.6859 174.8537 156 A 5.1978 8.5986 128.4409 50.5620 21.9857 175.1391 157 G 4.1463 9.1154 106.8165 46.0716 0.0000 171.9520 158 G 3.8382 7.8976 106.9883 43.8753 0.0000 172.9329 159 N 5.2518 8.0837 117.2357 51.6183 39.5025 172.3409 160 P 4.7842 0.0000 0.0000 61.7326 32.9244 176.0469 161 A 4.4525 8.2203 122.9644 52.0678 19.2690 176.6842 162 N 5.0282 9.3412 117.6409 51.1443 43.3351 174.2385 163 E 4.4098 8.7648 120.3904 56.6161 28.6190 177.1245 164 I 3.9774 9.5993 127.3829 62.6681 37.3360 176.8459 165 K 4.2568 7.4591 116.4710 56.0502 34.2340 174.5298 166 Q 4.3393 8.6684 119.4213 56.5248 29.1138 176.9807 167 R 4.1224 8.0976 118.8275 56.9536 30.6341 176.4749 168 F 5.1682 7.4597 114.9508 55.6004 43.1997 173.4858 169 D 4.4512 8.8439 121.7913 53.9828 39.4933 177.5324 170 Q 4.0926 8.8598 122.7649 58.5737 28.9451 177.7733 171 D 4.4422 7.9192 118.1263 57.3103 41.5520 177.9761 172 T 3.7681 8.1045 116.2932 66.7906 68.4678 176.1548 173 I 3.5767 7.8233 120.9504 64.5450 36.9237 177.5864 174 N 4.2862 7.8287 115.8508 56.8739 38.8464 177.0119 175 Q 4.1334 8.1671 118.7805 59.0989 28.8843 178.7565 176 L 3.9526 8.5333 120.6053 58.3120 41.5727 179.9551 177 L 4.3565 8.5335 117.1565 57.3703 41.5823 178.8156 178 D 4.4801 8.3286 118.2805 57.1121 41.2865 177.7141 179 I 3.9686 7.8135 119.9027 62.7807 39.7789 176.0284 180 K 2.4800 7.7057 120.2371 54.5466 28.6453 177.6150 181 W 2.0000 5.9096 121.4765 57.9553 28.6230 179.2995 182 W 3.8211 5.3025 115.0249 58.8674 27.1898 176.6615 183 N 4.7025 7.2111 115.2584 54.8742 38.4749 175.8099 184 W 4.6845 8.7938 118.2746 56.1650 29.9806 174.0025 185 P 4.3267 0.0000 0.0000 63.2453 31.7730 177.0219 186 I 3.8329 8.8850 122.1218 64.5250 37.5670 177.5522 187 D 4.4632 8.2736 118.2395 56.8903 39.2523 178.5804 188 I 3.8878 7.9240 120.8344 64.1251 37.0962 178.4386 189 I 3.8784 7.9063 120.1694 64.6032 36.8707 177.9366 190 N 3.8234 7.9851 117.7995 56.3380 38.5408 176.1431 191 E 4.7228 7.7809 112.6218 55.3901 30.4574 181.5704 192 N 5.0257 9.0061 113.8334 53.6050 41.7641 176.5387 193 I 3.3735 7.9297 121.4201 64.6636 37.0542 177.8581 194 D 4.8403 8.0155 121.4818 57.8271 40.6937 179.3911 195 K 4.4236 7.7630 124.6328 58.6247 31.6256 181.0420 196 I 3.6389 7.6439 118.8525 63.9360 36.8955 178.2094 197 L 3.8745 8.8224 119.7602 57.0474 41.8543 178.1175 198 D 4.5556 8.5869 117.5203 52.5146 39.5404 176.2500 199 N 3.8591 7.1769 116.9621 54.9999 37.9231 174.7798 200 S 4.3471 8.5682 113.7343 59.1865 63.0674 175.8064 201 I 3.6874 7.6769 112.9449 62.9343 37.3103 175.4606 202 I 3.9100 7.6655 119.4789 61.1897 37.4236 175.6188 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 G 8.34 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 3 P 0.00 4.55 0.00 2.60 2.22 0.00 3.99 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 2.36 2.24 0.00 4 N 8.48 4.65 0.00 2.77 2.84 0.00 0.00 7.04 7.69 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 5 P 0.00 3.77 0.00 1.55 0.62 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.51 0.00 *7 K 7.59 4.00 0.00 2.06 1.94 0.00 1.84 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.52 7.81 *9 Y 8.06 4.44 0.00 3.15 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 10 P 0.00 4.74 0.00 2.07 2.17 0.00 3.69 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.44 0.00 11 I 7.46 4.34 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.84 0.90 0.00 0.00 12 E 8.85 3.94 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 13 G 9.04 4.08 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 0.00 14 N 6.55 3.93 0.00 2.87 2.80 0.00 0.00 6.81 7.49 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 15 K 8.54 4.19 0.00 1.72 1.61 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.23 0.95 7.81 16 S 7.94 4.65 0.00 3.85 4.10 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 17 V 7.21 4.40 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 0.68 0.00 0.00 1.12 0.00 0.00 18 Q 9.25 4.60 0.00 2.08 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.66 0.00 19 F 8.56 5.05 0.00 3.00 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 20 I 8.85 4.09 1.88 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 1.50 1.19 0.62 0.00 0.00 21 K 8.24 3.77 0.00 1.78 1.85 0.00 1.82 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.10 7.81 22 P 0.00 4.39 0.00 2.17 2.21 0.00 3.67 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.10 0.00 23 I 7.83 3.77 2.04 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 1.58 1.07 0.92 0.00 0.00 24 L 8.45 4.26 0.00 1.68 1.71 1.06 0.66 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 25 E 8.26 4.21 0.00 1.92 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 26 K 7.49 4.15 0.00 1.94 1.70 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.39 1.34 7.81 27 L 7.16 4.32 0.00 1.77 1.62 0.86 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.60 4.11 0.00 1.99 1.78 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 2.36 2.32 0.00 29 N 8.84 4.30 0.00 2.97 2.88 0.00 0.00 6.51 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 30 V 7.50 4.69 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 0.72 0.00 0.00 0.87 0.00 0.00 31 E 8.89 4.71 0.00 2.06 1.73 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 2.17 2.19 0.00 32 V 8.43 4.81 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 0.82 0.00 0.00 0.93 0.00 0.00 33 G 8.29 4.74 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 34 E 8.38 3.66 0.00 1.25 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 2.21 2.17 0.00 35 Y 7.53 3.12 0.00 2.11 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 36 S 7.57 4.85 0.00 3.84 3.80 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 37 Y 9.67 5.48 0.00 3.22 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 38 Y 9.21 4.84 0.00 2.24 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 39 D 7.36 5.00 0.00 2.49 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 0.00 0.00 0.00 0.00 40 S 8.28 3.89 0.00 4.13 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 41 K 8.81 4.14 0.00 1.83 2.03 0.00 1.81 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.41 7.81 42 N 9.22 4.92 0.00 2.70 2.77 0.00 0.00 7.29 8.24 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 43 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 44 E 8.01 4.13 0.00 2.14 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 0.00 2.49 2.36 0.00 45 T 8.16 4.90 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 1.32 0.00 0.00 46 F 8.91 3.82 0.00 2.85 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 47 D 8.43 4.30 0.00 2.78 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 48 K 7.65 4.05 0.00 1.88 1.83 0.00 1.56 0.00 0.00 1.85 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.40 7.81 49 Q 8.42 4.21 0.00 0.95 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.97 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 50 I 6.95 4.23 1.61 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 -0.01 0.62 0.00 0.00 51 L 7.79 4.21 0.00 1.09 0.46 0.79 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 7.16 3.10 0.00 3.13 2.85 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 53 H 6.63 4.79 0.00 2.82 2.93 0.00 5.70 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.65 4.79 0.00 3.05 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 55 P 0.00 4.21 0.00 2.17 2.37 0.00 3.68 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 2.13 2.08 0.00 56 I 7.78 4.07 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 1.40 0.62 0.92 0.00 0.00 57 L 8.52 4.43 0.00 1.84 1.69 1.10 0.59 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 58 N 8.06 4.42 0.00 2.94 2.81 0.00 0.00 7.01 7.90 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 59 D 7.56 4.94 0.00 2.85 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 60 K 9.38 4.81 0.00 1.91 1.70 0.00 1.52 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.39 7.81 61 L 8.86 4.94 0.00 1.59 1.45 0.84 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.94 4.96 0.00 1.81 1.60 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.28 1.34 7.81 63 I 8.36 4.81 1.84 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.71 0.86 0.00 0.00 64 G 8.62 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 0.00 0.00 0.00 0.00 65 K 8.32 4.62 0.00 1.64 1.70 0.00 2.05 0.00 0.00 2.01 0.00 0.00 2.89 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.30 1.39 7.81 66 F 7.77 4.10 0.00 3.14 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 67 C 9.18 5.22 0.00 2.80 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 68 S 8.90 5.14 0.00 4.09 4.10 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 69 I 8.25 4.63 1.74 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.81 0.97 0.00 0.00 70 G 8.38 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 71 P 0.00 4.43 0.00 2.21 2.17 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.92 0.00 72 G 8.56 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 0.00 0.00 0.00 73 V 7.47 4.16 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.07 0.00 0.00 74 T 9.15 4.69 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 1.75 1.79 0.00 *85 D 8.42 4.75 0.00 2.85 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 86 G 7.58 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.88 4.18 0.00 3.90 3.93 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 88 T 8.34 4.92 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 1.28 0.00 0.00 89 Y 7.61 4.21 0.00 2.76 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 4.51 0.00 1.99 1.93 0.00 2.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 91 F 7.95 4.01 0.00 3.03 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.12 5.00 0.00 2.89 3.03 0.00 0.00 6.05 7.79 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 93 L 8.06 3.88 0.00 0.65 0.81 0.51 0.79 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 94 F 8.09 4.71 0.00 3.48 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 95 G 8.89 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 96 N 10.07 4.05 0.00 2.87 2.70 0.00 0.00 6.80 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 G 9.56 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 98 W 8.17 4.63 0.00 3.71 3.61 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 99 E 8.60 4.27 0.00 2.13 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 0.00 2.34 2.31 0.00 100 K 7.86 4.19 0.00 1.78 1.74 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.28 7.81 101 H 7.91 4.62 0.00 3.35 3.26 0.00 5.65 0.00 0.00 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0.00 0.00 119 D 8.02 5.21 0.00 2.73 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 0.00 120 V 7.23 4.79 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 0.97 0.00 0.00 0.81 0.00 0.00 121 W 9.24 5.18 0.00 3.46 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 0.00 122 I 8.71 4.39 1.87 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 1.17 1.64 0.88 0.00 0.00 123 G 7.98 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 0.00 124 K 8.46 4.36 0.00 1.85 1.65 0.00 1.87 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.59 7.81 125 D 9.31 4.56 0.00 2.82 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 V 7.51 4.51 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 0.98 0.00 0.00 0.94 0.00 0.00 127 V 8.34 4.81 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 0.97 0.00 0.00 0.93 0.00 0.00 128 I 8.29 4.28 1.85 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 1.22 0.84 0.89 0.00 0.00 *130 P 0.00 4.33 0.00 2.05 2.15 0.00 3.62 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 1.91 2.29 0.00 131 G 8.30 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 0.00 132 V 7.54 4.08 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 0.88 0.00 0.00 0.91 0.00 0.00 133 K 9.80 5.09 0.00 1.60 1.64 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.66 7.81 134 I 9.91 4.64 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 1.12 1.04 0.85 0.00 0.00 135 G 8.97 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 0.00 0.00 0.00 136 D 8.78 4.06 0.00 2.56 2.43 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 0.00 137 G 8.59 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.34 4.89 1.27 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 0.00 0.00 139 I 8.16 4.91 1.95 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.05 0.96 0.00 0.00 140 V 8.87 4.70 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 0.85 0.00 0.00 0.88 0.00 0.00 141 A 8.80 4.23 1.16 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 0.00 0.00 142 A 8.55 3.91 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 N 8.30 4.48 0.00 2.75 2.85 0.00 0.00 6.84 8.27 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 0.00 144 S 7.61 4.72 0.00 4.19 3.65 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 0.00 145 V 8.75 4.52 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 0.87 0.00 0.00 0.91 0.00 0.00 146 V 8.49 4.14 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 0.79 0.00 0.00 0.89 0.00 0.00 147 V 8.48 4.28 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 0.82 0.00 0.00 0.92 0.00 0.00 148 K 7.76 4.48 0.00 1.62 1.76 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.45 7.81 149 D 8.49 4.89 0.00 2.55 2.57 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 0.00 150 I 8.10 4.44 1.84 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 1.14 0.64 0.88 0.00 0.00 151 A 8.54 4.41 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 P 0.00 4.06 0.00 2.12 2.12 0.00 3.88 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 153 Y 8.22 4.20 0.00 3.25 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 *155 L 7.95 4.35 0.00 1.79 1.73 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 156 A 8.60 5.20 1.19 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 0.00 0.00 157 G 9.12 4.15 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 0.00 158 G 7.90 3.84 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 0.00 0.00 0.00 159 N 8.08 5.25 0.00 2.65 2.67 0.00 0.00 6.91 7.69 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 0.00 160 P 0.00 4.78 0.00 2.10 2.01 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 161 A 8.22 4.45 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 0.00 162 N 9.34 5.03 0.00 2.63 2.66 0.00 0.00 7.03 7.75 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 0.00 163 E 8.76 4.41 0.00 1.85 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 2.32 2.34 0.00 164 I 9.60 3.98 1.93 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 1.27 0.70 0.91 0.00 0.00 165 K 7.46 4.26 0.00 1.78 1.73 0.00 1.45 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.18 1.37 7.81 166 Q 8.67 4.34 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.97 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 167 R 8.10 4.12 0.00 0.67 1.32 0.00 3.19 0.00 0.00 3.41 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 168 F 7.46 5.17 0.00 2.92 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 0.00 169 D 8.84 4.45 0.00 2.92 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 0.00 170 Q 8.86 4.09 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.87 0.00 0.00 0.00 0.00 0.00 2.65 2.41 0.00 171 D 7.92 4.44 0.00 2.76 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 0.00 172 T 8.10 3.77 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 0.81 0.00 0.00 173 I 7.82 3.58 2.08 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 1.68 0.68 1.13 0.00 0.00 174 N 7.83 4.29 0.00 2.91 2.95 0.00 0.00 7.19 8.09 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 0.00 175 Q 8.17 4.13 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 176 L 8.53 3.95 0.00 1.72 1.86 0.44 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 177 L 8.53 4.36 0.00 1.72 1.91 1.12 1.41 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 0.00 178 D 8.33 4.48 0.00 2.87 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 0.00 179 I 7.81 3.97 2.04 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.07 1.02 0.00 0.00 180 K 7.71 2.48 0.00 1.89 1.78 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.27 1.23 7.81 181 W 5.91 2.00 0.00 1.80 1.74 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 0.00 182 W 5.30 3.82 0.00 3.29 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 0.00 183 N 7.21 4.70 0.00 2.85 3.03 0.00 0.00 6.99 9.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 W 8.79 4.68 0.00 3.30 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 0.00 185 P 0.00 4.33 0.00 2.32 2.07 0.00 3.72 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 186 I 8.89 3.83 2.06 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 1.86 1.33 1.01 0.00 0.00 187 D 8.27 4.46 0.00 2.89 2.85 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 0.00 188 I 7.92 3.89 2.17 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.28 0.74 0.00 0.00 189 I 7.91 3.88 1.95 0.00 0.00 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 1.94 1.38 0.78 0.00 0.00 190 N 7.99 3.82 0.00 2.76 2.92 0.00 0.00 6.82 7.24 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 0.00 191 E 7.78 4.72 0.00 2.00 1.78 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 2.16 2.11 0.00 192 N 9.01 5.03 0.00 2.85 2.86 0.00 0.00 7.04 5.25 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 0.00 193 I 7.93 3.37 1.76 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.65 0.77 0.00 0.00 194 D 8.02 4.84 0.00 2.61 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 0.00 195 K 7.76 4.42 0.00 1.76 1.82 0.00 1.85 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 0.95 7.81 196 I 7.64 3.64 1.37 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.18 -0.92 0.00 0.00 197 L 8.82 3.87 0.00 1.63 1.63 0.83 0.90 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 0.00 198 D 8.59 4.56 0.00 2.76 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 0.00 199 N 7.18 3.86 0.00 2.73 2.63 0.00 0.00 6.99 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 S 8.57 4.35 0.00 4.04 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 0.00 201 I 7.68 3.69 2.06 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 1.13 0.50 1.00 0.00 0.00 202 I 7.67 3.91 2.15 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.56 0.83 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.