NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 26 E 4.3527 8.4449 120.2340 56.2620 30.5447 177.9528 27 N 4.5982 9.1527 121.8823 51.1051 38.0297 170.9969 28 L 4.7741 8.8485 122.6913 53.0518 45.6386 174.7978 29 H 5.6530 8.3845 121.9301 53.0804 30.9482 174.1662 30 F 4.2970 9.1828 122.6812 57.4574 39.3239 174.3625 31 G 4.0989 9.2152 109.5292 44.8291 0.0000 170.6059 32 Y 4.8332 8.0753 121.0783 55.8036 39.6911 174.8650 33 W 4.6108 9.4481 128.7552 54.8987 30.4607 177.4365 34 E 3.7275 9.1465 126.4039 58.9220 29.5090 177.0311 *41 S 4.4617 7.7250 111.7609 57.5392 63.9953 174.6047 42 V 3.8971 8.5917 121.7863 65.4486 30.7122 178.3906 43 D 4.3140 8.0293 118.6516 57.3369 40.7210 177.8726 44 D 4.2990 7.7370 118.9766 57.5501 40.7708 179.2265 45 A 3.5427 7.3420 120.1711 55.2855 18.3010 179.5060 46 T 3.7442 7.3054 113.8045 67.0445 68.2876 176.5570 47 D 4.3753 8.0929 120.4656 56.9909 40.8312 178.5616 48 R 4.3663 7.5036 120.1917 57.7636 29.9700 178.0834 49 L 3.8489 7.9636 120.1115 58.3185 42.1295 178.7751 50 T 3.8894 7.5844 114.6910 66.7469 68.1696 175.8896 51 D 4.5616 7.7651 120.5827 57.3450 40.7725 178.3871 52 E 3.9974 7.6510 116.2401 56.9162 29.0410 178.0739 *54 I 4.2377 7.6666 112.3035 60.6517 39.4967 177.5129 55 A 3.9838 7.6377 122.2070 54.5815 18.3029 178.5560 56 L 3.9717 7.7841 116.6316 57.6199 42.2623 176.8525 57 L 4.2355 7.5531 118.9344 53.5266 40.8605 176.7202 58 D 4.5103 7.8707 124.9852 53.6703 39.3981 174.5012 59 V 4.4856 8.1033 122.5778 59.4398 34.6005 174.9834 60 R 4.6330 8.3591 124.3803 54.1425 32.0775 174.7817 61 S 4.0875 8.3730 112.3550 59.9631 62.7031 174.4875 62 G 3.8287 8.8440 115.1746 46.3480 0.0000 173.2516 63 D 4.8457 7.3959 118.7339 53.4668 43.0770 175.7020 64 R 4.7939 9.0976 118.9943 54.6904 33.0021 174.9918 65 V 4.6345 8.5812 124.8174 60.8661 34.1763 174.0309 66 L 4.2718 8.0171 129.7728 53.4687 44.1651 174.6871 67 D 5.3429 8.5630 125.3373 52.3216 42.9696 173.8496 68 V 3.8702 8.9280 125.7562 63.0347 31.8032 175.0049 69 G 3.6474 8.6642 118.4555 46.2882 0.0000 172.4219 70 C 4.4054 8.0055 114.0896 58.2673 31.8473 176.0262 71 G 3.6714 7.7335 109.5087 47.2246 0.0000 174.4009 72 I 3.9238 8.2038 117.1685 60.7911 38.1747 177.1898 73 G 3.7750 7.9866 109.3597 45.7649 0.0000 175.9576 74 K 4.0104 8.0703 120.9050 58.8613 32.0494 177.4647 75 P 4.3585 0.0000 0.0000 65.4709 31.3845 178.5120 76 A 4.2724 8.2775 119.3119 55.0911 18.2679 179.7704 77 V 3.6056 8.0399 116.9629 66.2675 31.2870 178.3408 78 R 4.0314 8.2225 118.0287 58.6482 29.9019 178.3483 79 L 3.8504 8.0869 120.4431 58.2683 41.9835 178.5958 80 A 4.0121 7.6540 119.0554 55.2856 18.3279 179.3074 81 T 4.0442 7.6505 107.0706 64.4467 69.2144 176.5027 82 A 4.2579 7.3739 121.6453 52.8445 19.0917 177.3531 83 R 4.5564 7.1821 114.5163 54.9203 35.0612 175.1050 84 D 4.6650 8.4164 121.7460 53.7293 39.3436 174.2033 85 V 4.8274 7.3124 113.1841 59.7118 35.9287 177.0989 86 R 4.3979 9.1629 120.6429 54.7367 32.1082 175.0360 87 V 4.5609 7.8199 124.1600 61.6980 33.2372 174.7931 88 T 4.9823 8.9905 118.1080 59.8859 72.1010 173.1306 89 G 4.8653 8.6928 109.6376 44.6988 0.0000 171.3648 90 I 5.7973 8.6362 115.2940 58.3087 41.3116 174.1306 91 S 4.8501 8.2589 116.1244 57.6299 65.5504 174.3903 92 I 3.9273 8.4873 122.6554 61.4776 38.6261 175.6936 93 S 4.7772 7.9173 115.1926 56.9033 64.1803 174.3545 94 R 3.9933 8.5784 128.7227 59.0437 30.0305 177.1449 95 P 4.2933 0.0000 0.0000 65.6509 31.2076 178.7174 96 Q 3.9499 8.0085 116.5582 58.6823 28.5568 178.6414 97 V 3.5484 7.7127 119.1193 66.1704 31.4490 177.6915 98 N 4.3332 8.0617 115.9185 56.6873 38.3197 177.4243 99 Q 3.9836 8.0662 118.9876 58.8405 28.7993 178.8274 100 A 4.3215 7.8987 123.3921 54.6659 18.2988 179.4948 101 N 4.6562 8.5120 114.8091 56.1893 38.5867 177.5170 102 A 4.1032 7.9136 122.4078 54.6955 18.2490 179.6774 103 R 3.8268 7.6941 116.4662 59.5640 30.4743 178.1399 104 A 4.2067 8.1104 120.6851 55.7248 18.3091 179.8002 105 T 3.9282 8.3346 107.3214 64.5273 68.5900 176.3847 106 A 4.0617 8.0260 122.9282 54.0431 18.1793 177.7546 107 A 4.3659 7.9439 119.2173 51.5978 19.1057 178.3028 108 G 4.1574 7.6655 104.3046 47.0320 0.0000 174.7026 109 L 4.4055 7.4101 118.0556 54.4212 42.0259 178.5311 110 A 4.0401 7.9305 124.3248 55.4250 18.4239 179.6058 111 N 4.6022 8.0971 109.2431 54.1088 36.9356 174.3130 112 R 4.7012 8.0755 116.0003 56.9856 37.6338 174.8821 113 V 4.9763 7.8105 120.6686 61.1011 32.0428 175.5035 114 T 4.8358 7.9698 117.2701 59.8997 72.6024 172.6545 115 F 5.5778 8.9949 120.5097 56.0456 42.9321 174.4507 116 S 4.8924 9.2814 115.8487 56.6126 66.9206 172.5776 117 Y 4.6881 8.8815 122.3366 57.9515 39.1369 174.8223 118 A 3.8088 7.4947 125.2305 51.4786 22.7610 175.2143 119 D 4.5167 8.3833 119.3961 52.6740 42.9457 177.2452 120 A 4.1964 7.9819 128.6977 52.1991 17.4138 179.3482 *122 D 4.3956 7.6981 120.5145 54.9791 41.3508 174.4846 123 L 4.1769 8.6361 122.6922 53.3889 42.4795 175.7236 124 P 4.4092 0.0000 0.0000 63.2877 32.0412 176.4354 125 F 4.5518 7.1610 117.9908 57.1625 39.5270 174.8974 126 E 4.3013 8.5692 123.2562 55.9349 30.1400 176.2616 127 D 4.9106 8.9105 118.8318 54.6540 41.8698 177.3252 128 A 3.9460 8.0696 120.3587 53.6298 15.2856 176.7868 129 S 4.6058 8.6874 114.5804 56.8479 64.7514 174.8368 130 F 4.7758 7.6652 118.5175 56.0534 42.8378 175.3031 131 D 4.5323 8.9467 123.0735 57.0714 41.7986 176.4968 132 A 5.0398 7.8306 117.9955 50.2982 23.2305 175.0578 133 V 4.7483 8.5317 120.2335 60.6804 34.7442 174.5282 134 W 5.9998 9.2989 123.1087 53.7292 32.2004 174.1442 135 A 4.9269 8.6202 122.9058 50.1655 20.1273 173.7219 136 L 3.8178 8.0777 122.1511 54.0184 42.4412 175.1172 137 E 3.8515 9.3737 129.2856 57.2630 28.6432 176.1749 138 S 4.5430 7.7605 112.1184 58.5258 65.3091 175.8725 139 L 4.0206 7.9952 120.1158 57.7463 41.6600 177.8395 140 H 4.5648 7.8231 112.2427 57.2226 28.9446 175.1473 141 H 5.0087 7.4962 120.0146 54.2203 26.8714 173.1953 *143 P 4.3270 0.0000 0.0000 62.0737 33.7530 176.9157 144 D 4.3943 7.5603 117.7377 51.9363 42.1456 175.4580 145 R 4.2062 8.5875 124.9832 57.9817 29.5547 178.6321 146 G 3.5805 7.8632 107.6839 48.1294 0.0000 176.0673 147 R 3.9633 8.0477 120.4368 58.5696 29.7840 179.1111 148 A 3.9885 7.8489 119.5292 55.0570 18.5950 179.1197 149 L 4.0890 7.3736 116.2706 58.0164 41.8259 179.2071 150 R 4.0849 7.8253 117.1668 59.3629 30.4864 178.2364 151 E 4.1791 8.3105 118.8509 56.4622 29.8481 177.9488 *153 A 4.3396 8.0599 121.4193 51.6219 21.0639 179.6724 154 R 3.7702 7.8678 116.2800 58.7991 30.4101 178.0483 155 V 4.1166 7.7277 115.7655 63.3104 32.3039 174.7399 156 L 4.6848 7.3887 122.5994 55.0382 43.3420 176.3351 157 R 4.5701 8.4704 121.9846 54.4345 31.6495 173.8414 158 P 4.5909 0.0000 0.0000 64.6229 31.2878 176.8225 159 G 3.9042 9.1072 112.2740 44.9870 0.0000 173.5664 160 G 3.9995 7.9596 107.6559 46.4664 0.0000 172.6758 161 T 5.2574 8.3228 109.6904 59.7297 72.5871 173.1519 162 V 5.0431 8.7515 120.6648 61.2703 35.5512 173.7551 163 A 5.3309 8.9428 127.8161 50.3169 22.6740 174.9640 164 I 5.0408 8.5399 120.5304 59.5030 41.7100 174.1589 165 A 5.0291 8.0740 127.7471 50.2741 21.4001 174.4522 166 D 3.9968 7.2624 118.7913 52.8874 45.4798 174.9492 167 F 4.4521 7.6074 121.4157 57.6564 39.7721 175.0272 168 V 4.5703 9.0827 121.5667 61.1187 35.4998 173.8891 169 L 4.4061 8.6703 128.7073 54.0510 42.6414 175.9326 170 L 4.3386 9.5689 129.8746 55.6286 40.8391 177.0334 171 A 4.5495 7.8053 125.6103 49.9169 20.9535 175.5063 172 P 4.2952 0.0000 0.0000 63.3144 31.5701 176.0814 173 V 4.4535 8.0594 119.3226 60.0755 33.5622 174.5509 174 E 4.6878 7.9344 120.1789 55.5855 34.2671 176.4637 175 G 3.9054 8.4657 113.5859 46.7931 0.0000 175.9307 176 A 4.0111 8.8421 126.8126 54.7470 17.5774 179.8133 177 K 3.9061 7.7878 116.4526 59.3117 32.1478 179.2565 178 K 3.9300 7.8828 119.6443 59.7076 32.0321 178.5282 179 E 4.0502 8.1638 116.9117 58.9315 29.3779 178.1318 180 A 4.2672 7.9708 120.0690 53.1913 18.6346 179.0752 181 V 3.7731 7.3363 115.7806 65.3314 32.3043 177.6266 182 D 4.4297 8.0926 117.5683 56.3530 40.7021 178.6494 183 A 3.9710 7.8120 122.1005 55.2629 18.4887 179.4721 184 F 4.2263 7.7989 118.8038 61.3619 39.4141 177.6122 185 R 3.7977 8.4924 118.1084 59.1329 29.6551 178.8821 186 A 4.1137 7.8134 119.5537 54.9510 18.4028 179.6602 187 G 3.7371 7.9342 103.5230 46.9036 0.0000 175.3751 188 G 3.9186 7.4902 104.8055 42.6900 0.0000 173.5684 189 G 3.9413 7.9608 107.2657 46.3367 0.0000 176.4571 190 V 4.0881 7.6144 117.7173 61.6229 30.7361 175.0354 191 L 4.1472 8.7709 126.1088 56.4004 41.8230 177.7406 192 S 4.5355 7.8907 116.5974 56.8026 63.1910 172.9218 193 L 4.7601 8.3726 127.6388 53.6756 44.4218 174.8762 194 G 4.3865 7.9248 116.4295 44.3001 0.0000 170.7161 195 G 4.5444 8.5193 108.3083 45.8084 0.0000 175.4252 196 I 3.9500 8.3981 119.9956 64.2653 37.0289 178.4191 197 D 4.3627 8.0818 119.6083 56.6604 39.1389 178.1663 198 E 3.9493 8.2057 120.3341 58.6651 29.7346 178.1098 199 Y 3.8904 7.8311 119.4890 60.7669 38.9448 177.4845 200 E 4.0665 8.6294 119.8612 59.5304 29.4302 179.5857 201 S 4.1273 8.2993 115.1455 61.7894 62.7180 176.4046 202 D 4.3430 7.6605 119.9865 57.4391 39.2575 178.8150 203 V 3.7851 7.7971 118.2335 66.1017 31.4635 178.3927 204 R 4.5219 7.9674 119.2070 58.4641 29.9015 178.4016 205 Q 4.6830 8.2436 117.3020 55.4514 29.3221 176.8072 206 A 4.6081 8.0718 119.6858 51.9743 20.1845 176.6573 207 E 3.8488 8.4103 115.5267 59.2765 27.0570 174.4834 208 L 4.9755 7.2346 115.2838 52.9482 45.7804 176.0001 209 V 4.6337 8.7691 121.7745 61.0393 33.7032 174.9927 210 V 4.4591 8.4944 128.3817 61.7600 31.7434 175.8571 211 T 4.5667 8.9123 114.3146 62.0923 71.3166 174.5533 212 S 4.5892 7.7484 116.6888 57.2656 66.0095 173.0368 213 T 4.8860 8.5063 123.1309 62.0441 72.0326 173.4754 214 V 4.2894 8.6503 126.6976 60.8371 34.6641 174.0541 215 D 4.5463 8.9307 128.6584 54.0827 41.4289 175.4175 216 I 4.4218 8.8738 127.0951 61.4344 37.7493 177.8809 217 S 4.1701 8.5623 118.8839 62.2068 62.4543 176.6928 218 A 3.9804 8.0834 121.0468 54.7261 18.0297 178.4360 219 Q 4.5373 8.4964 115.9757 55.4739 29.4153 176.8313 220 A 4.8210 7.9301 122.5823 51.6301 20.8206 178.1324 221 R 3.9384 8.1117 117.0879 59.4497 30.1423 176.5535 222 P 4.1368 0.0000 0.0000 64.2936 31.0433 178.2159 223 S 4.2371 7.8834 114.7968 61.3745 62.5165 176.6846 224 L 3.5754 7.5193 121.7543 57.6350 41.4589 179.4873 225 V 3.5153 7.4395 117.5789 65.9046 31.6607 177.7453 226 K 3.8729 7.9093 119.3342 59.5069 31.8293 178.9541 227 T 4.0699 7.7522 115.8706 66.3229 68.7881 176.4541 228 A 4.1820 8.3689 123.0612 55.8505 17.8633 179.6744 229 E 4.2130 8.9924 118.0117 58.9204 29.2396 179.5657 230 A 4.0720 7.7066 119.8428 54.9765 18.5880 179.3799 231 F 4.1563 8.5972 116.5848 60.5730 38.8677 177.8739 232 E 4.0507 8.3018 117.9274 59.4969 28.9918 179.1059 233 N 4.5616 7.8739 114.4679 55.2144 38.9620 176.2262 234 A 4.7955 7.3708 122.6303 51.1358 19.2354 178.5439 235 R 3.9072 7.9978 121.9152 61.2881 29.8246 178.8500 236 S 4.1300 7.9859 112.5628 61.4374 62.7712 176.0028 237 Q 4.2048 8.1645 119.4963 57.4077 28.6129 177.7023 238 V 4.3221 7.5014 118.5306 64.4655 32.3653 177.2383 239 E 3.9095 8.2995 118.8188 59.2133 29.1439 178.0666 240 P 4.2881 0.0000 0.0000 64.8706 31.4899 177.9299 241 F 4.5094 7.6683 114.9556 58.0697 39.5917 175.5579 *243 G 3.6954 7.4625 107.6427 44.1789 0.0000 173.4929 244 A 3.9595 8.7349 124.6366 56.0285 18.3718 179.2081 245 E 3.7773 8.5691 114.4043 61.0081 29.1893 179.7278 246 G 3.6054 7.8289 107.8362 47.8320 0.0000 174.6599 247 L 3.9717 7.6962 121.7774 58.1033 42.3317 178.5437 248 D 4.5073 8.2858 119.2685 56.9208 40.8200 178.8811 249 R 4.2762 7.7002 115.7533 56.3749 29.5183 178.8607 *251 I 3.8144 8.0349 119.8902 62.4512 39.2987 178.0344 252 A 3.9939 8.0704 122.0937 55.5391 18.0865 179.5992 253 T 3.9556 8.2603 111.9294 65.0438 67.4078 176.7956 254 F 4.4047 8.1455 119.4201 60.8284 38.8558 177.7062 255 R 4.0679 8.1131 116.5098 59.0779 29.7281 179.1458 256 G 3.7094 8.1526 105.7566 47.6145 0.0000 175.6554 257 L 3.8474 8.0794 122.7221 57.6865 41.9365 178.6416 258 A 3.9768 7.7081 119.4588 54.0903 18.2145 177.5222 259 E 4.4565 7.4981 116.3704 55.3421 30.3122 175.7265 260 V 4.2812 7.8283 117.5845 58.7013 32.5323 174.1196 261 P 4.2109 0.0000 0.0000 65.9128 31.3495 177.9008 262 E 4.1346 8.3304 116.1292 58.6127 30.4012 176.4889 263 A 4.6428 7.8022 122.0201 50.8574 20.0259 176.8889 264 G 4.2671 9.0699 109.2021 45.4052 0.0000 170.5528 265 Y 5.1524 8.7887 119.7221 55.6742 42.5316 174.3295 266 V 4.9341 7.8474 124.1839 59.9455 35.4999 173.9903 267 L 5.1550 8.6591 123.7084 52.9427 44.3188 175.3226 268 I 4.9822 8.7534 118.1406 58.9912 40.3482 174.6302 269 G 4.4730 9.4341 114.4620 44.6007 0.0000 172.2303 270 A 5.4372 8.8330 124.0131 50.1432 23.6378 174.7276 271 R 5.1328 9.1702 115.0792 54.4797 33.9584 173.7533 272 K 4.8987 8.4030 120.6327 53.4471 34.5818 174.4096 273 P 4.4239 0.0000 0.0000 63.2965 31.0074 175.9382 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 26 E 8.44 4.35 0.00 1.95 1.82 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 2.41 2.25 0.00 27 N 9.15 4.60 0.00 2.85 2.89 0.00 0.00 6.56 6.97 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 28 L 8.85 4.77 0.00 1.81 1.73 0.49 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 29 H 8.38 5.65 0.00 3.24 3.27 0.00 5.81 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 9.18 4.30 0.00 2.98 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 31 G 9.22 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 0.00 0.00 0.00 32 Y 8.08 4.83 0.00 2.82 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 33 W 9.45 4.61 0.00 3.13 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 34 E 9.15 3.73 0.00 1.96 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 2.34 2.41 0.00 *41 S 7.72 4.46 0.00 4.12 4.06 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 42 V 8.59 3.90 2.27 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 0.93 0.00 0.00 1.12 0.00 0.00 43 D 8.03 4.31 0.00 2.77 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 44 D 7.74 4.30 0.00 2.59 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 45 A 7.34 3.54 0.03 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 46 T 7.31 3.74 4.33 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 1.19 0.00 0.00 47 D 8.09 4.38 0.00 2.83 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 48 R 7.50 4.37 0.00 1.87 1.94 0.00 3.29 0.00 0.00 2.92 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 49 L 7.96 3.85 0.00 1.80 1.66 0.87 0.88 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 50 T 7.58 3.89 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 1.25 0.00 0.00 51 D 7.77 4.56 0.00 2.80 2.67 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 0.00 0.00 0.00 0.00 52 E 7.65 4.00 0.00 1.99 1.82 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 1.99 2.21 0.00 *54 I 7.67 4.24 1.94 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 1.50 0.81 1.20 0.00 0.00 55 A 7.64 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.78 3.97 0.00 1.80 1.78 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.55 4.24 0.00 1.84 1.58 0.59 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 58 D 7.87 4.51 0.00 2.76 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 59 V 8.10 4.49 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 0.85 0.00 0.00 0.88 0.00 0.00 60 R 8.36 4.63 0.00 1.99 2.04 0.00 3.00 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.56 0.00 61 S 8.37 4.09 0.00 3.83 3.78 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 62 G 8.84 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 63 D 7.40 4.85 0.00 2.76 2.54 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 64 R 9.10 4.79 0.00 1.74 1.70 0.00 2.94 0.00 0.00 2.87 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.44 0.00 65 V 8.58 4.63 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 0.43 0.00 0.00 0.70 0.00 0.00 66 L 8.02 4.27 0.00 0.27 0.43 0.76 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.56 5.34 0.00 2.81 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 135 A 8.62 4.93 1.25 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 0.00 0.00 136 L 8.08 3.82 0.00 0.88 1.28 0.20 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 137 E 9.37 3.85 0.00 2.15 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 2.02 1.82 0.00 138 S 7.76 4.54 0.00 3.99 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 0.00 139 L 8.00 4.02 0.00 1.80 1.83 0.94 1.18 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 0.00 140 H 7.82 4.56 0.00 3.50 3.63 0.00 5.53 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 H 7.50 5.01 0.00 3.28 3.30 0.00 5.88 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *143 P 0.00 4.33 0.00 2.06 2.16 0.00 3.68 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 1.93 2.09 0.00 144 D 7.56 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0.00 0.00 0.00 0.00 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 R 7.87 3.77 0.00 2.09 2.12 0.00 3.10 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.59 0.00 155 V 7.73 4.12 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 1.33 0.00 0.00 1.19 0.00 0.00 156 L 7.39 4.68 0.00 1.87 1.53 1.06 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 157 R 8.47 4.57 0.00 1.93 2.03 0.00 2.82 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.57 0.00 158 P 0.00 4.59 0.00 2.09 2.12 0.00 3.78 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 1.99 1.99 0.00 159 G 9.11 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 0.00 0.00 0.00 160 G 7.96 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 0.00 161 T 8.32 5.26 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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3.93 0.00 1.86 2.04 0.00 1.77 0.00 0.00 1.88 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.70 7.81 179 E 8.16 4.05 0.00 2.28 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 2.53 2.44 0.00 180 A 7.97 4.27 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 0.00 181 V 7.34 3.77 2.33 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 1.17 0.00 0.00 0.92 0.00 0.00 182 D 8.09 4.43 0.00 2.81 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 0.00 183 A 7.81 3.97 1.43 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 0.00 0.00 184 F 7.80 4.23 0.00 3.19 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 0.00 185 R 8.49 3.80 0.00 2.03 2.07 0.00 3.22 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.00 0.00 186 A 7.81 4.11 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 0.00 187 G 7.93 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 0.00 188 G 7.49 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 0.00 189 G 7.96 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 190 V 7.61 4.09 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 0.90 0.00 0.00 0.73 0.00 0.00 191 L 8.77 4.15 0.00 1.72 1.71 1.03 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 192 S 7.89 4.54 0.00 3.84 3.72 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 0.00 193 L 8.37 4.76 0.00 1.63 1.53 1.05 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 194 G 7.92 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 203 V 7.80 3.79 2.27 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 1.06 0.00 0.00 1.07 0.00 0.00 204 R 7.97 4.52 0.00 2.06 1.97 0.00 3.20 0.00 0.00 3.27 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 205 Q 8.24 4.68 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.36 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 206 A 8.07 4.61 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 E 8.41 3.85 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 208 L 7.23 4.98 0.00 1.81 1.54 0.95 0.80 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 0.00 209 V 8.77 4.63 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 1.03 0.00 0.00 0.94 0.00 0.00 210 V 8.49 4.46 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 0.79 0.00 0.00 0.93 0.00 0.00 211 T 8.91 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0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.51 0.00 0.00 0.00 0.00 0.00 1.57 1.97 0.00 220 A 7.93 4.82 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 0.00 221 R 8.11 3.94 0.00 1.92 1.96 0.00 3.17 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 222 P 0.00 4.14 0.00 1.28 1.61 0.00 3.57 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.00 0.00 223 S 7.88 4.24 0.00 3.65 3.62 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 0.00 224 L 7.52 3.58 0.00 1.51 1.63 0.91 0.20 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 0.00 225 V 7.44 3.52 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 1.03 0.00 0.00 0.85 0.00 0.00 226 K 7.91 3.87 0.00 1.60 1.72 0.00 1.12 0.00 0.00 0.61 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 1.44 7.81 227 T 7.75 4.07 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 228 A 8.37 4.18 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 229 E 8.99 4.21 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 2.33 2.18 0.00 230 A 7.71 4.07 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 0.00 231 F 8.60 4.16 0.00 3.20 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 0.00 232 E 8.30 4.05 0.00 2.24 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 2.36 2.40 0.00 233 N 7.87 4.56 0.00 2.73 2.88 0.00 0.00 6.92 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 A 7.37 4.80 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 235 R 8.00 3.91 0.00 2.20 1.98 0.00 3.20 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 1.74 1.78 0.00 236 S 7.99 4.13 0.00 3.89 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 0.00 237 Q 8.16 4.20 0.00 2.36 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.60 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 238 V 7.50 4.32 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 1.34 0.00 0.00 1.17 0.00 0.00 239 E 8.30 3.91 0.00 2.08 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 2.33 2.54 0.00 240 P 0.00 4.29 0.00 1.46 1.89 0.00 3.44 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 1.76 2.02 0.00 241 F 7.67 4.51 0.00 3.09 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 *243 G 7.46 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 0.00 244 A 8.73 3.96 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 0.00 245 E 8.57 3.78 0.00 1.96 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 2.40 2.35 0.00 246 G 7.83 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 0.00 0.00 0.00 247 L 7.70 3.97 0.00 1.83 1.83 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 248 D 8.29 4.51 0.00 2.92 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 0.00 249 R 7.70 4.28 0.00 1.97 2.10 0.00 2.76 0.00 0.00 3.13 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.51 0.00 *251 I 8.03 3.81 1.93 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 1.30 0.81 0.93 0.00 0.00 252 A 8.07 3.99 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 253 T 8.26 3.96 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 254 F 8.15 4.40 0.00 3.16 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 0.00 255 R 8.11 4.07 0.00 1.81 2.00 0.00 3.18 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.99 0.00 256 G 8.15 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 0.00 0.00 0.00 257 L 8.08 3.85 0.00 1.71 1.42 0.64 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 258 A 7.71 3.98 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 0.00 259 E 7.50 4.46 0.00 1.86 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 2.18 2.22 0.00 260 V 7.83 4.28 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 0.76 0.00 0.00 1.00 0.00 0.00 261 P 0.00 4.21 0.00 2.05 2.18 0.00 3.68 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 2.03 2.13 0.00 262 E 8.33 4.13 0.00 1.96 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 263 A 7.80 4.64 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 0.00 264 G 9.07 4.27 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 0.00 265 Y 8.79 5.15 0.00 2.98 2.67 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 0.00 0.00 0.00 0.00 266 V 7.85 4.93 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 0.34 0.00 0.00 0.85 0.00 0.00 267 L 8.66 5.16 0.00 1.61 1.58 0.92 0.78 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 0.00 268 I 8.75 4.98 1.79 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.62 0.75 0.00 0.00 269 G 9.43 4.47 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 0.00 270 A 8.83 5.44 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 0.00 271 R 9.17 5.13 0.00 1.95 2.00 0.00 2.74 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 272 K 8.40 4.90 0.00 1.88 1.69 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.34 1.36 7.81 273 P 0.00 4.42 0.00 2.22 2.04 0.00 3.95 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 2.00 1.98 0.00 * Residues marked with a * may have inaccurate shift predictions.