NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 3.3044 8.1933 116.5789 57.9254 64.9868 171.9539 2 L 4.8991 7.8140 122.4832 53.0213 43.1192 174.6311 3 A 4.7580 9.5338 125.0546 50.4594 23.3924 175.6167 4 V 4.7222 8.5974 113.4566 59.4963 33.0392 176.2240 5 D 4.4810 8.9196 121.1117 55.1819 39.8666 176.4067 6 Q 4.4999 7.8990 117.7641 54.1255 31.0469 175.3828 7 T 4.2999 7.9330 108.3162 62.6045 69.7124 174.5054 8 R 4.7607 6.8483 116.0725 55.8464 32.0065 173.5236 9 Y 4.9003 8.9465 116.9866 56.3181 42.3515 174.5839 10 I 5.0565 8.5539 122.3670 59.7093 39.8838 175.0723 11 F 4.5022 9.9194 131.5177 56.7630 40.1866 174.8567 12 R 4.2907 8.3858 126.7726 55.7540 30.3845 178.4305 13 G 3.6509 8.7631 114.2192 48.1547 0.0000 173.9704 14 D 4.6094 7.9320 117.4031 54.4016 40.2668 176.7038 15 E 4.1751 8.1043 122.5958 56.6855 30.0178 177.4891 16 D 4.5236 8.6440 120.3837 55.9982 40.3121 176.0387 17 A 4.7076 7.1549 116.0363 51.6965 22.1918 175.1978 18 L 4.3544 8.1134 121.6035 53.6561 44.0715 175.2517 19 T 5.0604 8.5243 125.2298 62.7742 70.3305 174.6852 20 I 4.8887 8.4516 124.5770 58.8269 40.8912 172.1328 21 T 4.9754 8.9203 113.5866 60.2106 71.1300 173.2260 22 V 4.5598 8.6642 127.6030 60.4487 33.6104 175.1284 23 T 5.0243 9.1180 114.8768 59.8498 71.9040 172.7755 24 N 5.1354 9.0156 125.7472 53.0169 39.6506 175.0985 25 N 4.8037 8.6207 124.8127 53.4192 38.5307 171.4015 26 D 4.7021 8.8826 123.1458 54.6310 42.6572 177.4489 27 K 4.8345 8.5894 125.6338 53.7351 32.1460 173.4919 28 E 4.5938 8.2285 119.8898 59.0883 33.7937 176.7497 29 R 4.6029 7.8068 116.9986 55.7277 31.2369 178.0284 30 T 4.5923 8.2773 118.2180 62.7445 69.8943 174.1468 31 F 4.7339 8.8311 124.6972 55.6789 41.6349 176.0831 32 G 3.9763 9.1364 111.2652 46.0380 0.0000 172.5081 33 G 4.0105 7.1015 103.6759 45.0629 0.0000 172.7022 34 Q 5.9526 9.3644 122.1473 52.8093 32.7039 174.2922 35 A 5.9092 9.2218 124.0890 49.1892 22.2527 174.8838 36 W 5.0911 8.0669 116.4888 55.6933 31.8725 173.3228 37 V 5.3354 8.8452 119.9559 60.2039 33.3969 174.0560 38 D 5.2948 8.7659 126.3459 51.2496 43.2282 175.1864 39 N 4.9399 8.7334 116.3502 52.8930 39.4789 176.6907 40 I 3.5679 8.2491 115.4774 64.0775 37.6897 177.3684 41 V 4.0708 7.7490 117.9191 60.2095 31.7083 177.2547 42 E 3.5253 8.5704 122.7611 59.1413 28.9884 174.3336 43 K 4.1537 9.0875 123.7024 56.9739 30.4366 172.0221 44 D 4.6762 8.0390 119.4542 55.1450 42.7542 177.5821 45 T 4.6184 7.8975 116.7981 59.8815 70.0281 179.3275 46 R 3.4794 8.3151 121.0202 58.7919 29.2787 177.7971 *48 T 3.8273 8.3626 109.4910 63.4980 68.9286 173.0510 *49 F 5.5099 8.2431 122.6400 55.6852 41.7363 173.4052 50 V 4.3463 7.7863 116.3870 59.7439 34.2597 176.7851 51 V 3.6002 8.5359 127.6356 62.5458 31.3014 175.2783 52 T 3.7568 8.8734 120.0381 65.1224 67.8987 173.9890 53 P 4.7143 0.0000 0.0000 60.7373 30.0249 176.1893 54 S 4.5721 8.4504 117.8812 60.2720 64.5278 174.2903 55 F 5.4672 8.2239 121.6967 56.3230 41.9767 173.8419 56 F 4.8045 6.9011 121.0162 56.7031 41.6225 173.2961 57 K 4.7526 8.5515 121.1275 53.4143 36.0970 174.6976 58 V 4.4121 8.6257 121.4791 60.7586 34.4299 175.3123 59 K 4.4453 8.8458 127.4158 55.6771 33.4080 174.8049 60 P 4.5532 0.0000 0.0000 64.7717 31.6212 175.8041 61 N 4.3259 8.5078 116.4336 52.9493 37.1582 174.4468 62 G 4.0532 7.9630 106.5418 45.5437 0.0000 172.7981 63 Q 5.2782 8.3319 117.3453 54.3367 33.1740 175.0495 64 Q 4.5571 8.7650 121.2091 55.1382 32.7791 173.3130 65 T 4.9366 8.4011 116.4166 60.3070 71.0519 173.8416 66 L 4.7425 8.7946 125.8627 53.5972 45.6790 176.0537 67 R 4.9368 8.2784 122.8686 55.2778 32.2006 173.8893 68 I 4.5906 8.8509 128.5040 59.6316 38.6721 176.5360 69 I 4.4985 8.2180 127.6808 59.5658 37.6198 171.6056 70 M 4.0886 8.4049 125.2609 57.9373 31.0103 177.7469 *74 H 4.5449 8.8243 118.6120 54.0999 30.0881 170.6543 75 L 4.9238 7.3189 118.0222 52.0555 44.6309 178.5510 76 P 4.1568 0.0000 0.0000 64.7209 31.3461 177.0988 77 K 4.5907 8.8826 125.0390 55.0352 32.9002 173.3103 78 D 4.7452 7.9106 118.8728 54.8986 40.8302 180.9093 79 K 4.3834 7.2001 116.6950 54.3769 35.3968 180.0325 80 E 4.7552 8.9882 117.3016 57.2568 30.2807 176.9094 81 S 4.5998 8.5078 114.6153 57.3158 66.6349 173.4427 82 V 4.3644 7.6008 114.2137 60.5069 33.9995 174.4536 83 Y 4.4812 7.5284 117.2146 56.7403 43.2265 174.1106 84 W 5.2540 8.6490 122.4849 56.1761 30.7026 175.1471 85 L 4.7374 9.4494 128.0501 53.9026 43.3960 174.8262 86 N 5.0261 8.5323 123.2945 51.0361 41.9757 173.1824 87 L 5.0108 8.5257 124.5166 53.2821 45.4068 174.6516 88 Q 5.2240 9.3001 128.4586 54.3901 31.2299 174.3487 89 D 5.1983 8.9430 126.8319 52.8347 41.6433 176.6364 90 I 4.5571 8.8120 120.6239 58.7488 39.6168 173.4967 91 P 3.9155 0.0000 0.0000 61.4833 32.0957 174.9056 92 P 4.2394 0.0000 0.0000 61.8051 32.0053 176.6886 93 A 4.1042 8.3061 124.1135 52.4661 18.9400 176.8337 94 L 4.5798 8.1833 122.3242 53.4135 43.4337 177.4123 95 E 4.0310 8.7260 119.7292 56.6712 30.5601 176.2502 96 G 3.9163 8.4989 112.2604 44.7134 0.0000 172.3498 97 S 4.3235 8.2125 113.7792 57.3423 64.3838 171.6137 98 G 3.9020 7.8265 105.5120 43.9252 0.0000 172.5767 99 I 4.4928 8.0464 119.5928 59.1825 39.6884 175.0711 100 A 4.7408 8.4676 126.3782 50.2075 21.3445 175.5116 101 V 4.3291 8.4561 121.5897 60.8497 33.3112 174.7464 102 A 5.0317 8.5765 129.1684 50.2856 21.4714 174.7158 103 L 4.7321 9.5690 123.3949 52.8614 44.3818 175.5545 104 R 5.0332 8.6754 124.2484 54.9248 31.7775 174.6746 105 T 4.5636 8.8829 118.1394 59.9931 71.1881 173.5481 106 K 4.8848 8.4525 125.2662 54.6667 34.7675 174.8863 107 L 5.1200 8.9841 125.8474 52.8012 46.8917 175.7806 108 K 4.2764 8.7742 120.4407 56.3083 33.5795 175.9774 109 L 5.1365 8.8450 126.3888 53.4316 44.5430 175.1090 110 F 5.0918 9.4919 126.3508 56.8010 40.8556 174.3812 111 Y 5.2038 9.2624 123.6109 55.9048 41.6158 174.1707 112 R 4.5563 8.1556 127.4173 53.6835 31.9852 173.2767 113 P 4.3829 0.0000 0.0000 63.0420 32.2880 178.3126 114 K 3.7973 9.0195 123.1525 57.9017 31.7284 179.9452 115 A 4.0237 8.1945 123.3810 55.2857 18.3122 178.6496 116 L 4.5239 7.9499 113.9431 54.3076 41.5725 181.2381 117 L 4.0376 7.6965 120.1209 59.4658 41.8165 179.3524 118 E 4.1456 8.3800 113.7752 57.6741 30.0357 180.5918 119 G 3.9982 7.6106 106.7148 43.4191 0.0000 173.7896 *122 G 2.6811 8.3092 109.2078 44.9718 0.0000 172.5407 123 A 4.1941 7.8620 129.5599 52.8282 19.0063 178.8605 124 E 3.2763 7.4256 112.8777 58.3549 29.8531 182.8143 125 E 4.3026 7.5339 118.2529 57.0376 29.9761 176.4446 126 G 4.0165 9.1291 113.8955 46.2544 0.0000 174.8595 127 I 3.8595 7.3742 120.5428 60.7219 36.3173 181.1783 128 S 4.6037 8.9727 123.7800 57.4498 64.3596 173.1936 129 L 4.8047 8.3428 124.5143 53.4204 41.9714 175.5968 130 Q 4.5333 8.9931 123.3885 54.5061 31.1882 174.1929 131 S 5.0852 8.4768 114.8558 56.8521 65.1235 173.0169 132 R 4.8407 8.3984 122.2592 53.5878 33.8300 175.0734 133 P 4.3665 0.0000 0.0000 65.2791 31.4344 177.6764 134 D 4.3758 8.0074 116.7763 55.1110 40.8379 177.2701 135 G 3.9226 8.0051 107.1604 45.4940 0.0000 173.4253 136 R 4.4814 7.5500 118.8743 55.1859 32.3443 175.0680 137 T 4.9312 8.4083 117.4739 60.8015 69.8954 172.8446 138 M 5.1476 9.0692 127.7117 53.4136 35.7986 174.4228 139 L 4.8481 9.2808 126.0934 54.1071 43.8087 175.3002 140 V 4.8509 8.7500 126.7982 61.1177 34.7476 174.2649 141 N 5.1093 8.9688 127.4043 52.8562 38.5465 174.5061 142 T 4.6570 8.2202 116.4325 61.4057 69.5720 174.8143 143 T 4.6896 8.0180 111.7100 60.2069 71.5648 171.9728 144 P 4.3621 0.0000 0.0000 63.3411 31.8017 175.4181 145 Y 4.8187 7.3770 115.9655 56.1229 40.0526 175.4609 146 I 4.1899 8.2144 122.6546 60.8388 38.3575 175.5159 147 F 4.9948 8.9005 123.6217 55.7193 42.8616 174.4013 148 A 5.1291 8.5866 122.9549 49.3471 20.3277 173.8234 149 I 4.5270 8.7161 121.4759 60.9721 37.6903 176.2573 150 G 3.9581 9.4754 117.8775 48.8625 0.0000 174.6510 151 S 4.8742 7.8605 116.4801 57.1979 67.2876 176.3827 152 L 4.9611 8.5396 121.5747 53.3580 43.3540 175.3548 153 L 5.0349 8.4379 124.8141 51.9478 43.6110 175.4256 154 D 5.3364 7.7669 120.6323 51.9975 38.0319 179.7124 155 G 3.7976 9.0630 107.9934 46.5845 0.0000 173.9406 156 N 5.1926 7.8086 127.6991 54.6846 38.9096 175.8266 157 G 3.6529 7.5113 110.3356 45.4815 0.0000 173.6041 158 K 4.3861 8.6787 129.2333 56.3211 32.6001 175.0209 159 K 4.6540 8.8822 125.6618 54.6832 35.2307 178.4925 160 I 3.9042 8.4117 125.2540 58.1928 37.0309 173.0509 *165 G 3.7855 7.9158 105.8325 46.6412 0.0000 173.1756 166 T 4.6183 7.1358 111.9766 60.4691 71.0686 172.7984 167 T 4.0136 8.4660 127.7960 65.4163 69.1614 175.2924 168 Q 4.0422 8.8322 122.3797 56.7364 27.4975 173.2463 169 K 4.4392 8.8262 124.0677 56.5504 31.1361 179.2063 170 L 4.3727 7.2902 121.8301 57.0150 41.1144 182.0726 171 L 4.2824 7.7916 117.1689 56.7814 41.5878 179.4737 172 M 5.2016 7.5290 117.9783 55.7809 31.4577 176.8305 *173 F 4.6364 8.9607 121.6283 56.4004 38.8292 178.0075 174 M 4.5784 8.6574 125.0261 53.6070 33.5815 174.2791 175 P 4.4453 0.0000 0.0000 64.2854 31.7349 177.2611 176 G 4.0074 9.1318 112.8969 44.9008 0.0000 173.3854 177 D 4.6380 8.1280 122.5479 55.0345 42.1795 175.7801 178 E 5.2011 8.6661 118.8179 54.8222 33.1032 175.7735 179 V 4.4785 8.5729 123.7201 60.2196 35.3676 173.8876 180 Q 4.7929 8.7474 128.8386 55.8808 29.7580 174.9564 181 V 4.6764 8.3614 120.5072 59.8507 36.6096 176.0636 182 K 4.2023 8.5860 122.8738 54.5741 32.0807 178.0337 183 G 3.9384 8.5163 107.8393 47.2185 0.0000 173.7056 184 N 4.7649 7.8528 116.9392 52.6194 37.5219 174.5265 185 V 4.5154 7.5455 119.7761 62.1948 34.3434 176.3137 *187 K 4.4177 8.0231 126.5341 55.3637 34.4934 174.2021 188 V 4.9006 8.4641 108.6982 61.7000 36.5714 174.9614 189 D 5.1016 8.9027 125.1050 53.8337 41.7515 175.2267 190 S 5.2445 9.2391 119.5907 55.9973 65.4639 173.1024 191 L 4.7869 8.9089 128.4639 54.8133 42.0490 177.2826 192 N 4.7554 9.0526 122.3404 51.8561 38.6972 175.4411 193 D 4.3843 8.6125 117.0057 56.5933 40.7203 176.8725 194 Y 4.2698 7.9853 115.5498 57.1507 38.3133 175.8716 195 G 3.8658 8.6183 110.4871 46.8490 0.0000 173.7288 196 E 4.7668 7.8906 117.4729 53.9543 32.2885 178.6456 197 L 4.6371 8.6126 125.0327 54.3923 42.8139 176.7984 198 Q 4.5144 8.9031 121.1700 54.3713 33.1660 174.6390 199 T 4.5520 8.1316 114.0990 61.6529 70.2530 174.1973 200 W 5.1377 8.7471 122.7761 55.7371 34.1293 174.1070 201 T 4.3532 8.8776 122.5922 63.7905 68.4372 174.4511 202 I 4.0478 8.3317 120.8336 59.1542 40.1386 174.6609 203 N 4.1682 8.2296 117.7938 54.8603 36.8879 174.0175 204 K 4.2085 7.6808 120.7534 56.5576 32.7132 176.7068 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 S 8.19 3.30 0.00 3.55 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 7.81 4.90 0.00 1.49 1.63 1.08 0.48 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 3 A 9.53 4.76 1.17 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 4 V 8.60 4.72 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 0.81 0.00 0.00 1.13 0.00 0.00 5 D 8.92 4.48 0.00 2.81 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 6 Q 7.90 4.50 0.00 0.93 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.12 1.69 0.00 7 T 7.93 4.30 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 1.19 0.00 0.00 8 R 6.85 4.76 0.00 2.07 1.99 0.00 3.17 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.94 0.00 9 Y 8.95 4.90 0.00 3.04 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 10 I 8.55 5.06 1.90 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 1.28 0.67 0.95 0.00 0.00 11 F 9.92 4.50 0.00 3.24 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 12 R 8.39 4.29 0.00 1.73 1.93 0.00 3.14 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 13 G 8.76 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 0.00 0.00 0.00 14 D 7.93 4.61 0.00 2.79 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 15 E 8.10 4.18 0.00 1.79 1.84 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 2.25 2.21 0.00 16 D 8.64 4.52 0.00 2.70 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 17 A 7.15 4.71 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 18 L 8.11 4.35 0.00 1.36 1.45 1.02 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.52 5.06 4.19 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 1.20 0.00 0.00 20 I 8.45 4.89 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 1.28 0.86 0.91 0.00 0.00 21 T 8.92 4.98 4.22 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 1.19 0.00 0.00 22 V 8.66 4.56 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 0.62 0.00 0.00 1.04 0.00 0.00 23 T 9.12 5.02 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 1.28 0.00 0.00 24 N 9.02 5.14 0.00 2.86 2.90 0.00 0.00 7.34 6.23 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 25 N 8.62 4.80 0.00 2.58 2.69 0.00 0.00 6.94 8.05 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 26 D 8.88 4.70 0.00 3.04 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 27 K 8.59 4.83 0.00 1.81 1.65 0.00 1.70 0.00 0.00 0.61 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.30 0.97 7.81 28 E 8.23 4.59 0.00 1.81 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 2.26 2.27 0.00 29 R 7.81 4.60 0.00 1.56 1.70 0.00 3.26 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.47 0.00 30 T 8.28 4.59 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 1.22 0.00 0.00 31 F 8.83 4.73 0.00 3.07 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 32 G 9.14 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 0.00 0.00 0.00 33 G 7.10 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 9.36 5.95 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 2.69 2.45 0.00 35 A 9.22 5.91 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 36 W 8.07 5.09 0.00 3.42 3.29 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 37 V 8.85 5.34 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 1.12 0.00 0.00 0.92 0.00 0.00 38 D 8.77 5.29 0.00 2.94 3.00 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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8.36 3.83 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 1.10 0.00 0.00 *49 F 8.24 5.51 0.00 2.05 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 0.00 0.00 0.00 50 V 7.79 4.35 2.08 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 0.85 0.00 0.00 0.93 0.00 0.00 51 V 8.54 3.60 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 0.96 0.00 0.00 0.98 0.00 0.00 52 T 8.87 3.76 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 53 P 0.00 4.71 0.00 2.05 2.11 0.00 3.65 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 1.90 2.04 0.00 54 S 8.45 4.57 0.00 4.07 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 55 F 8.22 5.47 0.00 3.00 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 56 F 6.90 4.80 0.00 3.10 3.03 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 1.40 1.92 0.00 65 T 8.40 4.94 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 1.16 0.00 0.00 66 L 8.79 4.74 0.00 1.42 1.44 0.77 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.28 4.94 0.00 1.47 1.79 0.00 3.24 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 68 I 8.85 4.59 2.00 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 1.08 0.46 1.04 0.00 0.00 69 I 8.22 4.50 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.74 0.91 0.00 0.00 70 M 8.40 4.09 0.00 1.88 1.63 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 *74 H 8.82 4.54 0.00 3.00 2.98 0.00 7.20 0.00 0.00 0.00 0.00 6.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.32 4.92 0.00 1.60 1.40 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.16 0.00 2.08 2.09 0.00 3.65 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 2.06 2.13 0.00 77 K 8.88 4.59 0.00 1.73 1.64 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.24 0.95 7.81 78 D 7.91 4.75 0.00 2.68 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 79 K 7.20 4.38 0.00 1.72 1.57 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.24 0.99 7.81 80 E 8.99 4.76 0.00 1.72 1.93 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 2.29 1.91 0.00 81 S 8.51 4.60 0.00 3.50 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 82 V 7.60 4.36 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 -0.27 0.00 0.00 0.64 0.00 0.00 83 Y 7.53 4.48 0.00 2.80 2.71 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 84 W 8.65 5.25 0.00 3.62 2.92 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.38 4.15 0.00 1.99 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 2.23 1.87 0.00 119 G 7.61 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 *122 G 8.31 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 0.00 0.00 0.00 123 A 7.86 4.19 1.32 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 0.00 0.00 124 E 7.43 3.28 0.00 1.90 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 2.32 1.92 0.00 125 E 7.53 4.30 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 2.67 2.30 0.00 126 G 9.13 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 0.00 127 I 7.37 3.86 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.70 0.91 0.00 0.00 128 S 8.97 4.60 0.00 3.78 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 0.00 129 L 8.34 4.80 0.00 1.58 1.70 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 130 Q 8.99 4.53 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.49 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 131 S 8.48 5.09 0.00 3.85 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 0.00 132 R 8.40 4.84 0.00 2.01 1.76 0.00 3.23 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 133 P 0.00 4.37 0.00 2.04 2.11 0.00 3.68 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 2.03 2.11 0.00 134 D 8.01 4.38 0.00 2.67 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 0.00 135 G 8.01 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 0.00 136 R 7.55 4.48 0.00 1.78 1.85 0.00 3.11 0.00 0.00 3.43 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.62 0.00 137 T 8.41 4.93 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 0.00 138 M 9.07 5.15 0.00 1.90 1.91 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 139 L 9.28 4.85 0.00 1.71 1.54 0.90 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 140 V 8.75 4.85 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 0.95 0.00 0.00 0.94 0.00 0.00 141 N 8.97 5.11 0.00 2.96 2.98 0.00 0.00 6.54 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 T 8.22 4.66 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 143 T 8.02 4.69 4.49 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 1.47 0.00 0.00 144 P 0.00 4.36 0.00 1.46 2.03 0.00 3.63 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 1.87 1.99 0.00 145 Y 7.38 4.82 0.00 2.12 2.45 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 0.00 146 I 8.21 4.19 1.75 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.32 0.90 0.00 0.00 147 F 8.90 4.99 0.00 3.05 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 0.00 148 A 8.59 5.13 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 0.00 149 I 8.72 4.53 2.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.68 0.97 0.00 0.00 150 G 9.48 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 S 7.86 4.87 0.00 3.38 3.66 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 0.00 152 L 8.54 4.96 0.00 1.79 1.61 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 153 L 8.44 5.03 0.00 1.60 1.68 0.92 1.12 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 0.00 154 D 7.77 5.34 0.00 2.86 1.84 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 0.00 155 G 9.06 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 0.00 0.00 0.00 156 N 7.81 5.19 0.00 2.84 2.94 0.00 0.00 6.91 7.29 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 0.00 157 G 7.51 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 0.00 0.00 0.00 158 K 8.68 4.39 0.00 1.55 1.64 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.37 1.04 7.81 159 K 8.88 4.65 0.00 1.45 1.55 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.24 7.81 160 I 8.41 3.90 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 1.28 1.10 0.91 0.00 0.00 *165 G 7.92 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 0.00 166 T 7.14 4.62 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 167 T 8.47 4.01 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 168 Q 8.83 4.04 0.00 2.26 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.01 0.00 0.00 0.00 0.00 0.00 2.14 1.90 0.00 169 K 8.83 4.44 0.00 1.95 1.88 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.24 0.99 7.81 170 L 7.29 4.37 0.00 1.61 1.69 0.92 0.59 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 0.00 171 L 7.79 4.28 0.00 1.56 1.70 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 172 M 7.53 5.20 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.63 0.00 *173 F 8.96 4.64 0.00 2.01 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 0.00 0.00 0.00 174 M 8.66 4.58 0.00 1.92 2.31 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.67 0.00 175 P 0.00 4.45 0.00 2.01 2.20 0.00 3.63 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.10 0.00 176 G 9.13 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 D 8.13 4.64 0.00 2.93 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 0.00 178 E 8.67 5.20 0.00 1.70 1.68 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 2.11 1.83 0.00 179 V 8.57 4.48 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 0.89 0.00 0.00 0.95 0.00 0.00 180 Q 8.75 4.79 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 181 V 8.36 4.68 2.08 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 0.70 0.00 0.00 0.93 0.00 0.00 182 K 8.59 4.20 0.00 1.68 1.69 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.01 7.81 183 G 8.52 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 0.00 184 N 7.85 4.76 0.00 3.00 3.03 0.00 0.00 6.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 V 7.55 4.52 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 0.80 0.00 0.00 0.93 0.00 0.00 *187 K 8.02 4.42 0.00 1.51 1.74 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.78 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.05 7.81 188 V 8.46 4.90 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 0.70 0.00 0.00 0.95 0.00 0.00 189 D 8.90 5.10 0.00 2.63 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 0.00 190 S 9.24 5.24 0.00 3.92 3.97 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 0.00 191 L 8.91 4.79 0.00 1.59 1.64 0.95 1.17 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 0.00 192 N 9.05 4.76 0.00 3.01 3.13 0.00 0.00 6.56 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 0.00 193 D 8.61 4.38 0.00 2.65 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 0.00 194 Y 7.99 4.27 0.00 2.93 2.94 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 0.00 195 G 8.62 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 0.00 196 E 7.89 4.77 0.00 1.65 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 2.21 1.87 0.00 197 L 8.61 4.64 0.00 1.53 1.79 0.93 0.97 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 0.00 198 Q 8.90 4.51 0.00 2.23 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.98 0.00 0.00 0.00 0.00 0.00 2.19 2.34 0.00 199 T 8.13 4.55 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 1.21 0.00 0.00 200 W 8.75 5.14 0.00 3.23 3.01 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 0.00 0.00 0.00 0.00 201 T 8.88 4.35 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 1.23 0.00 0.00 202 I 8.33 4.05 1.81 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 1.21 0.82 0.92 0.00 0.00 203 N 8.23 4.17 0.00 2.87 2.86 0.00 0.00 7.02 5.98 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 0.00 204 K 7.68 4.21 0.00 1.74 1.66 0.00 1.99 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.40 7.81 * Residues marked with a * may have inaccurate shift predictions.