NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1460 8.0093 121.4486 60.7713 38.7648 175.7751 2 S 4.0710 8.3922 120.4784 57.5031 64.6666 173.2217 3 P 4.3105 0.0000 0.0000 65.5244 31.5038 179.9165 4 N 4.3413 8.0820 115.8328 55.8874 37.2378 177.4048 5 V 3.5491 7.5079 119.6024 65.5809 31.6241 178.0202 6 L 3.9742 7.7293 118.3725 58.0268 41.5273 179.3388 7 N 4.4106 8.5566 116.7354 56.1323 38.3056 177.3067 8 N 4.3388 8.3217 118.0406 56.6346 38.6727 177.1675 9 M 4.0652 8.1347 120.0258 58.6149 31.8581 179.1194 10 K 4.0514 7.9408 117.2669 59.3362 32.5421 179.1030 11 S 4.2911 8.3124 113.7160 61.2594 62.3242 175.4148 12 Y 4.2196 8.4749 122.9447 60.9581 38.3494 178.0489 13 M 4.1826 8.2365 116.4949 57.8334 31.2684 177.8376 14 K 4.1920 7.7159 117.3213 56.7449 32.7086 176.3974 15 H 4.7326 7.2428 116.7298 54.0459 30.5272 175.4861 16 S 4.4227 8.2619 115.7133 58.1967 64.9769 174.9171 17 N 4.2828 8.6030 120.0759 56.5919 38.3120 177.7744 18 I 3.5589 7.6190 120.6705 64.1539 37.1527 178.0446 19 R 4.0175 7.9317 119.5568 59.9021 29.8219 178.3602 20 N 4.3938 8.1805 115.9062 55.9447 38.5528 177.5594 21 I 3.7285 8.1966 121.9643 64.4872 37.0904 178.3165 22 I 3.8410 7.8745 120.5012 64.6062 36.8784 178.4518 23 I 3.8746 8.1015 120.6889 64.6731 36.8875 178.1983 24 N 4.4057 8.5976 117.4723 56.2208 38.1681 177.4558 25 I 3.7781 7.7822 120.8206 64.8962 37.4117 178.3784 26 M 4.3310 8.0671 119.2872 58.3995 31.7612 178.7256 27 A 4.0504 8.4010 121.3711 55.2940 18.5093 179.1004 28 H 4.1207 8.6324 117.0490 59.6254 30.1025 177.4305 29 E 4.0724 8.2193 120.0725 59.2246 29.1276 179.3679 30 L 4.2577 7.9980 119.1353 57.6088 41.7441 179.1923 31 S 4.0715 8.1379 113.2482 61.2661 62.4318 176.4396 32 V 3.4605 7.7057 120.7890 66.0432 31.3691 177.7233 33 I 3.8403 7.5721 119.1375 64.8493 37.0536 177.9884 34 N 4.4149 8.5826 117.6661 56.4874 38.6973 176.7552 35 N 4.3538 8.1947 118.2165 56.4811 38.6690 176.8293 36 H 4.2669 7.9532 117.1842 59.2753 28.8214 177.8877 37 I 3.8656 8.0349 121.3408 64.1759 36.7893 178.4047 38 K 3.9736 8.3670 120.6121 59.5933 32.0040 178.0750 39 Y 4.0898 8.1685 119.7065 61.0390 38.7074 178.1753 40 I 3.8877 8.0914 120.5555 64.5842 37.2353 178.1950 41 N 4.6368 8.6967 117.6998 56.5828 38.4407 177.3779 42 E 4.0650 8.5677 120.2814 58.9982 29.5168 179.1388 43 L 3.8391 8.1928 120.9638 58.1233 42.2602 178.6228 44 F 3.6499 8.7894 121.0262 61.5097 39.0529 176.4178 45 Y 4.0374 8.0079 117.6869 60.7364 38.6794 177.9321 46 K 4.1286 7.9425 118.3530 59.4241 32.2181 179.1306 47 L 4.0401 7.5878 118.4749 56.6725 43.0221 178.2126 48 D 4.4711 7.2746 119.9773 53.2774 37.9046 176.6044 49 T 3.6974 7.6160 111.7957 62.9644 69.6708 175.8410 50 N 4.5353 7.6049 116.8869 51.9595 37.9631 174.3101 51 H 4.0835 7.3315 115.4391 57.4045 26.8310 174.6780 52 N 4.6879 8.4383 112.0114 52.3523 37.7698 175.9053 53 G 4.1517 9.1853 106.8052 46.0130 0.0000 173.2539 54 S 5.1350 8.3152 112.7917 56.7909 67.0359 173.1936 55 L 4.8953 8.9985 120.7766 52.8545 43.5411 177.1158 56 S 4.8124 8.9025 119.2236 58.0659 64.6489 175.2666 57 H 4.2270 9.0330 117.2192 59.1052 28.3119 177.8878 58 R 3.9075 8.0213 119.8183 59.5997 28.3712 177.9721 59 E 3.8997 8.0984 118.2510 59.6521 29.3486 179.6431 60 I 3.9100 7.5414 119.4528 64.2660 37.1900 177.5408 61 Y 3.8343 8.4414 120.8456 61.2469 38.4097 178.4175 62 T 3.9564 8.1782 112.5247 64.8905 67.4732 175.9901 63 V 3.7797 7.3140 119.6272 65.7949 31.7902 177.9509 64 L 3.9196 8.1422 118.7773 57.6895 40.9717 179.3439 65 A 3.8658 8.1128 121.1584 55.0923 18.1897 179.3967 66 S 4.3082 7.6665 109.9062 59.7808 63.3893 175.3896 67 V 4.2903 7.3219 119.9878 62.1614 32.2919 175.2447 68 G 4.0335 7.6117 104.0185 46.0144 0.0000 174.4473 69 I 3.8109 7.2910 121.1558 60.8289 37.8628 176.5974 70 K 3.7956 7.9289 123.7586 54.7685 34.2389 177.8489 71 K 3.6138 7.6984 123.1637 59.7214 31.8597 178.9368 72 W 4.2875 7.2114 116.0500 59.6182 27.9704 177.9141 73 D 4.3743 7.4314 119.2533 57.1085 40.3683 178.3369 74 I 3.5209 7.7199 120.6873 64.6165 37.0683 178.2110 75 N 4.4242 8.2883 117.1168 56.4585 38.4651 177.7620 76 R 4.0097 7.8610 119.5135 59.1318 30.0382 179.1844 77 I 3.7194 8.0793 119.9987 64.2395 37.0593 178.3394 78 L 3.9412 8.2063 120.1357 58.1616 41.3379 179.7458 79 Q 4.0746 7.9585 115.5323 58.1483 28.6854 178.2323 80 A 4.1813 7.7363 121.4522 54.9264 18.6226 179.3156 81 L 4.1690 8.0335 116.7832 57.3882 43.3891 178.8810 82 D 4.7285 8.1226 119.7367 53.5254 37.5696 176.3733 83 I 3.7482 7.6782 121.9059 63.1271 38.8274 175.9770 84 N 4.6232 8.1974 114.9461 52.2696 39.3069 173.8531 85 D 4.4709 7.6947 117.5794 55.4445 40.1207 173.8042 86 R 4.2794 8.1527 116.1964 55.6268 31.4251 178.9591 87 G 3.9939 8.9646 105.9774 45.5370 0.0000 173.2189 88 N 5.2176 7.7908 115.0859 51.4140 42.3182 173.8194 89 I 4.8529 8.8468 124.8221 59.6801 40.0159 175.7948 90 T 4.5885 8.9206 117.5323 61.2034 70.4027 175.1400 91 Y 3.7149 8.9468 122.5005 61.3566 38.5552 178.5651 92 T 3.6802 7.9564 115.7376 66.7262 68.4075 176.3994 93 E 4.0512 8.0749 119.3968 59.1791 29.6066 178.9614 94 F 4.4427 8.5656 121.2321 61.5507 39.6811 177.2186 95 M 3.8841 8.1567 116.5154 58.0481 30.7601 178.2017 96 A 4.4691 8.0001 121.4296 55.0292 18.6347 179.2359 97 G 3.7707 7.7570 102.2710 46.5197 0.0000 174.9538 98 C 4.2676 7.6465 116.8857 59.7666 29.2475 173.0677 99 Y 3.9574 7.1838 121.1903 56.2247 39.0788 174.9032 100 R 3.9121 7.0397 127.0716 55.2550 29.8320 176.0737 101 W 4.4369 8.5151 126.1841 58.0367 29.7223 176.7599 102 K 3.8850 8.1140 121.8726 58.8212 31.7250 176.3122 103 N 4.3659 8.9920 120.8945 53.1997 35.0693 173.1266 104 I 4.0665 7.3496 120.2413 61.6720 35.7933 175.6111 *107 T 4.2213 7.5539 113.9644 60.8495 71.6483 174.6915 108 F 4.1451 8.8823 121.4936 61.1242 38.9980 178.0766 109 L 4.5311 8.3139 118.0229 57.5945 41.5509 179.2705 110 K 3.6581 8.6246 119.6325 59.4161 32.1332 178.7989 111 A 3.9910 8.2396 120.8786 54.9576 18.3548 179.5189 112 A 3.9970 8.2107 119.0500 55.3144 18.5091 179.3888 113 F 3.4065 8.4815 119.2966 61.5930 39.1525 177.1251 114 N 4.3336 8.2793 114.6348 56.3026 38.3901 177.2511 115 K 4.0863 7.8334 119.0090 59.4559 32.1591 179.1559 116 I 3.9602 7.1828 119.1632 63.2775 38.4245 177.2441 117 D 4.6136 7.6661 120.5472 52.9510 38.2618 176.2341 118 K 3.8105 8.1871 122.1632 59.0068 32.4560 177.8861 119 D 4.6941 8.1078 115.8786 53.2972 40.8895 176.2027 120 E 4.3243 7.8172 117.6168 57.4581 27.5383 175.0702 121 D 4.5975 7.9342 116.0923 53.3594 40.0781 177.2614 122 G 4.0904 9.2432 108.8918 45.7072 0.0000 172.8595 123 Y 5.1081 8.0561 115.8457 56.1260 42.0012 175.4078 124 I 4.3633 9.2521 125.4112 60.4917 38.0149 175.9492 125 S 4.9688 9.0382 123.1229 56.9894 65.0007 175.3751 126 K 3.8765 8.6657 120.3886 59.8330 31.7335 178.6529 127 S 4.1457 8.0393 113.8007 61.4062 63.0263 175.9911 128 D 4.3836 7.8995 122.8358 57.1983 40.4680 178.7058 129 I 3.8177 7.7193 120.2660 64.0577 37.0087 178.2792 130 V 3.6088 7.8907 118.5185 66.2157 31.5742 177.8200 131 S 4.2194 8.2338 112.6580 61.2906 62.0696 175.5812 132 L 4.0130 7.7882 121.8800 57.8314 41.9098 178.4632 133 V 4.2870 7.5724 110.6384 61.2962 31.7293 177.5964 134 H 4.2146 8.2590 117.8558 57.9637 28.3592 175.7774 135 D 4.8038 7.5963 117.7544 52.5510 39.6068 175.8055 136 K 4.6754 7.9383 118.5779 54.9355 35.4032 177.7908 137 V 3.6414 8.3410 120.7680 63.1319 31.7209 176.5912 138 L 4.2477 7.0663 120.9212 55.3918 41.9759 176.3495 139 D 5.0409 8.7340 119.6589 51.5500 42.1863 175.5335 140 N 4.3790 8.7153 114.9771 56.8784 38.9458 177.2577 141 N 4.2692 8.1492 118.4925 56.8192 39.2192 176.3963 142 D 4.4274 8.3468 119.6593 57.5513 41.0700 178.8491 143 I 3.8910 7.5497 119.5123 64.5435 37.1566 178.1658 144 D 4.4982 8.1881 119.6965 57.5243 40.6066 178.3646 145 N 4.3090 8.1288 116.7209 56.6230 38.6189 177.1057 146 F 4.0418 8.2116 121.1919 61.3857 39.4697 177.2177 147 F 3.6064 8.3376 117.0896 60.1600 38.6517 177.7429 148 L 3.9984 8.0497 118.7724 57.7844 41.2085 179.5742 149 S 4.0145 7.7684 113.9922 61.6263 62.8673 176.4858 150 V 3.2240 6.5020 119.1184 66.0877 31.2231 177.0815 151 H 4.7629 7.7937 114.7545 57.1911 28.8702 176.8228 152 S 4.7613 7.5600 120.6021 60.2879 62.6629 180.0842 153 I 4.6023 7.5281 123.4612 62.4162 39.6989 176.0387 *163 I 3.8220 7.6366 117.3504 59.8087 36.9432 181.5636 164 N 4.9539 8.5204 128.0252 51.7739 37.8438 173.1365 165 K 5.2906 7.6699 117.0508 54.9796 37.5622 177.6356 166 I 5.1178 8.7888 121.4901 59.7494 40.7375 175.9934 167 S 4.4354 9.3477 122.4197 57.4888 64.4678 175.2591 168 F 3.2793 8.3544 121.4834 61.0386 38.7935 176.8120 169 Q 3.6116 7.7859 118.7247 59.1862 29.0192 177.9166 170 E 3.9601 8.1349 119.6491 59.0466 29.4292 179.1380 171 F 4.1712 8.4109 120.9482 61.2088 39.5802 177.0274 172 K 3.5425 8.1530 119.4503 59.5305 31.9282 178.4202 173 D 4.1927 8.1772 119.4467 57.3076 40.4730 178.1694 174 Y 3.8449 7.6002 118.8437 60.9097 39.1536 177.6153 175 M 3.5012 7.5594 119.4448 58.1431 31.9457 178.6868 176 L 3.4816 7.3860 119.1754 57.5574 41.5835 179.4979 177 S 4.1407 7.3330 111.9931 60.1798 62.9915 175.3523 178 T 4.1530 6.7052 111.8920 61.8197 69.2938 174.4886 179 F 4.6841 7.2570 125.2493 57.9946 39.0225 175.1779 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 I 8.01 4.15 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.05 0.89 0.00 0.00 2 S 8.39 4.07 0.00 4.11 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 3 P 0.00 4.31 0.00 2.17 2.14 0.00 3.59 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 2.10 2.14 0.00 4 N 8.08 4.34 0.00 2.97 3.06 0.00 0.00 5.93 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 5 V 7.51 3.55 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 0.98 0.00 0.00 0.89 0.00 0.00 6 L 7.73 3.97 0.00 1.87 1.70 0.92 1.02 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 7 N 8.56 4.41 0.00 2.89 2.87 0.00 0.00 7.08 6.50 0.00 0.00 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 N 8.32 4.34 0.00 2.89 2.82 0.00 0.00 6.96 7.26 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 9 M 8.13 4.07 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.53 0.00 10 K 7.94 4.05 0.00 1.91 1.90 0.00 1.85 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.53 7.81 11 S 8.31 4.29 0.00 3.96 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 12 Y 8.47 4.22 0.00 3.19 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 13 M 8.24 4.18 0.00 2.40 2.24 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.88 0.00 14 K 7.72 4.19 0.00 1.82 1.78 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.60 7.81 15 H 7.24 4.73 0.00 3.17 3.19 0.00 5.66 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.26 4.42 0.00 4.09 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 17 N 8.60 4.28 0.00 2.74 2.89 0.00 0.00 6.84 7.46 0.00 0.00 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 I 7.62 3.56 1.64 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.75 -0.13 0.00 0.00 19 R 7.93 4.02 0.00 2.02 2.08 0.00 3.29 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.89 0.00 20 N 8.18 4.39 0.00 2.76 2.72 0.00 0.00 7.09 7.34 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 21 I 8.20 3.73 1.98 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 1.53 1.07 0.91 0.00 0.00 22 I 7.87 3.84 2.19 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.99 1.26 0.00 0.00 23 I 8.10 3.87 2.27 0.00 0.00 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 1.91 1.19 1.08 0.00 0.00 24 N 8.60 4.41 0.00 2.98 2.94 0.00 0.00 7.04 8.07 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 25 I 7.78 3.78 2.18 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 1.58 1.59 1.02 0.00 0.00 26 M 8.07 4.33 0.00 2.15 2.38 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 3.02 0.00 27 A 8.40 4.05 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.63 4.12 0.00 3.24 3.55 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.22 4.07 0.00 2.34 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 2.32 2.39 0.00 30 L 8.00 4.26 0.00 1.98 1.74 0.80 0.63 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 31 S 8.14 4.07 0.00 4.04 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 32 V 7.71 3.46 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 0.92 0.00 0.00 0.84 0.00 0.00 33 I 7.57 3.84 2.12 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.90 0.98 0.00 0.00 34 N 8.58 4.41 0.00 2.79 3.05 0.00 0.00 7.31 6.63 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 35 N 8.19 4.35 0.00 2.88 2.81 0.00 0.00 6.89 7.54 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 36 H 7.95 4.27 0.00 3.54 3.38 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 8.03 3.87 1.94 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 1.37 0.90 1.03 0.00 0.00 38 K 8.37 3.97 0.00 2.07 2.04 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.48 7.81 39 Y 8.17 4.09 0.00 3.19 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 40 I 8.09 3.89 2.14 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.80 1.04 0.00 0.00 41 N 8.70 4.64 0.00 2.94 2.93 0.00 0.00 7.01 7.21 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 42 E 8.57 4.07 0.00 2.01 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 2.31 2.45 0.00 43 L 8.19 3.84 0.00 1.56 2.03 0.93 0.95 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 44 F 8.79 3.65 0.00 3.42 3.39 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 45 Y 8.01 4.04 0.00 3.22 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 46 K 7.94 4.13 0.00 1.93 1.85 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.62 7.81 47 L 7.59 4.04 0.00 1.15 1.45 0.79 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 48 D 7.27 4.47 0.00 2.11 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 0.00 0.00 0.00 49 T 7.62 3.70 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 1.13 0.00 0.00 50 N 7.60 4.54 0.00 2.82 2.86 0.00 0.00 7.13 7.78 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 51 H 7.33 4.08 0.00 3.21 3.26 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.44 4.69 0.00 2.81 2.87 0.00 0.00 6.35 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 9.19 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 54 S 8.32 5.14 0.00 4.08 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 55 L 9.00 4.90 0.00 1.50 1.45 0.09 0.27 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 56 S 8.90 4.81 0.00 3.91 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 57 H 9.03 4.23 0.00 3.20 3.46 0.00 5.65 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 58 R 8.02 3.91 0.00 1.84 1.91 0.00 3.15 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 59 E 8.10 3.90 0.00 2.13 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 2.23 2.29 0.00 60 I 7.54 3.91 2.04 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 1.40 0.75 0.98 0.00 0.00 61 Y 8.44 3.83 0.00 3.18 3.04 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 0.00 0.00 0.00 62 T 8.18 3.96 4.29 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 1.29 0.00 0.00 63 V 7.31 3.78 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 0.99 0.00 0.00 0.91 0.00 0.00 64 L 8.14 3.92 0.00 1.51 1.55 0.87 1.35 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 65 A 8.11 3.87 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 66 S 7.67 4.31 0.00 4.01 4.12 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 0.00 0.00 0.00 0.00 67 V 7.32 4.29 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 0.90 0.00 0.00 0.94 0.00 0.00 68 G 7.61 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 7.29 3.81 1.68 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 1.35 0.77 0.75 0.00 0.00 70 K 7.93 3.80 0.00 0.79 0.74 0.00 1.40 0.00 0.00 1.42 0.00 0.00 2.82 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.25 1.31 7.81 71 K 7.70 3.61 0.00 1.78 1.70 0.00 1.88 0.00 0.00 2.03 0.00 0.00 3.13 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.70 1.72 7.81 72 W 7.21 4.29 0.00 3.61 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.43 4.37 0.00 2.64 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 74 I 7.72 3.52 1.49 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.49 0.39 0.00 0.00 75 N 8.29 4.42 0.00 2.82 2.95 0.00 0.00 7.10 7.19 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 76 R 7.86 4.01 0.00 1.98 2.01 0.00 3.21 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.91 0.00 77 I 8.08 3.72 2.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.80 0.91 0.00 0.00 78 L 8.21 3.94 0.00 1.80 1.54 1.04 0.87 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 79 Q 7.96 4.07 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.98 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 80 A 7.74 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.03 4.17 0.00 1.82 1.84 1.07 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.12 4.73 0.00 2.90 2.65 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 83 I 7.68 3.75 1.90 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 1.42 0.94 0.93 0.00 0.00 84 N 8.20 4.62 0.00 2.78 2.85 0.00 0.00 7.03 8.06 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 85 D 7.69 4.47 0.00 2.74 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 86 R 8.15 4.28 0.00 1.94 1.96 0.00 3.29 0.00 0.00 3.36 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 87 G 8.96 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 88 N 7.79 5.22 0.00 2.64 2.72 0.00 0.00 6.76 7.33 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 89 I 8.85 4.85 2.10 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.75 1.11 0.00 0.00 90 T 8.92 4.59 4.35 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 1.29 0.00 0.00 91 Y 8.95 3.71 0.00 2.35 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 92 T 7.96 3.68 4.28 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 1.23 0.00 0.00 93 E 8.07 4.05 0.00 2.19 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 0.00 2.39 2.36 0.00 94 F 8.57 4.44 0.00 3.26 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 95 M 8.16 3.88 0.00 1.89 1.99 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.22 0.00 96 A 8.00 4.47 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 G 7.76 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 C 7.65 4.27 0.00 2.71 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 99 Y 7.18 3.96 0.00 2.73 2.25 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 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8.62 3.66 0.00 1.69 1.66 0.00 1.33 0.00 0.00 0.93 0.00 0.00 2.13 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.30 1.14 7.81 111 A 8.24 3.99 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 0.00 112 A 8.21 4.00 1.72 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 0.00 0.00 113 F 8.48 3.41 0.00 2.97 3.22 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 0.00 114 N 8.28 4.33 0.00 2.89 2.87 0.00 0.00 7.13 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 0.00 115 K 7.83 4.09 0.00 1.91 1.87 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.66 7.81 116 I 7.18 3.96 1.63 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 1.35 0.52 0.77 0.00 0.00 117 D 7.67 4.61 0.00 2.12 2.35 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 0.00 118 K 8.19 3.81 0.00 1.82 1.85 0.00 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2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.27 1.17 7.81 127 S 8.04 4.15 0.00 4.09 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 0.00 128 D 7.90 4.38 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 0.00 129 I 7.72 3.82 2.27 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.04 0.89 0.00 0.00 130 V 7.89 3.61 2.24 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 0.81 0.00 0.00 1.02 0.00 0.00 131 S 8.23 4.22 0.00 3.93 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 0.00 132 L 7.79 4.01 0.00 1.76 1.85 0.92 0.76 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 0.00 133 V 7.57 4.29 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 0.81 0.00 0.00 1.04 0.00 0.00 134 H 8.26 4.21 0.00 3.29 3.59 0.00 5.53 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 D 7.60 4.80 0.00 2.69 2.49 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 0.00 136 K 7.94 4.68 0.00 1.83 1.67 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.30 1.45 7.81 137 V 8.34 3.64 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 0.72 0.00 0.00 0.93 0.00 0.00 138 L 7.07 4.25 0.00 1.75 1.78 0.89 0.92 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 0.00 139 D 8.73 5.04 0.00 2.86 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 0.00 140 N 8.72 4.38 0.00 2.79 2.86 0.00 0.00 6.56 6.71 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 0.00 141 N 8.15 4.27 0.00 2.87 2.97 0.00 0.00 7.08 9.28 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 0.00 142 D 8.35 4.43 0.00 2.89 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 0.00 143 I 7.55 3.89 2.09 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.33 1.21 0.00 0.00 144 D 8.19 4.50 0.00 2.90 2.77 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 0.00 145 N 8.13 4.31 0.00 3.05 2.94 0.00 0.00 6.70 7.86 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 0.00 146 F 8.21 4.04 0.00 3.02 3.24 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 0.00 147 F 8.34 3.61 0.00 3.27 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 L 8.05 4.00 0.00 1.87 1.72 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 149 S 7.77 4.01 0.00 3.51 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 0.00 150 V 6.50 3.22 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 0.51 0.00 0.00 -0.57 0.00 0.00 151 H 7.79 4.76 0.00 3.27 3.30 0.00 5.72 0.00 0.00 0.00 0.00 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 S 7.56 4.76 0.00 3.73 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 0.00 153 I 7.53 4.60 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.09 0.88 0.00 0.00 *163 I 7.64 3.82 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 1.30 0.63 0.91 0.00 0.00 164 N 8.52 4.95 0.00 2.54 2.56 0.00 0.00 7.00 6.68 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 0.00 165 K 7.67 5.29 0.00 1.79 1.89 0.00 1.62 0.00 0.00 1.42 0.00 0.00 2.75 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.44 7.81 166 I 8.79 5.12 2.07 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 1.18 0.94 1.12 0.00 0.00 167 S 9.35 4.44 0.00 3.76 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 0.00 168 F 8.35 3.28 0.00 1.90 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 0.00 169 Q 7.79 3.61 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 170 E 8.13 3.96 0.00 2.14 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 2.37 2.35 0.00 171 F 8.41 4.17 0.00 3.36 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 0.00 172 K 8.15 3.54 0.00 0.88 1.47 0.00 1.50 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.26 1.32 7.81 173 D 8.18 4.19 0.00 2.65 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 0.00 174 Y 7.60 3.84 0.00 2.76 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 0.00 175 M 7.56 3.50 0.00 1.59 1.58 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.05 0.00 176 L 7.39 3.48 0.00 1.53 1.59 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 177 S 7.33 4.14 0.00 3.86 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 0.00 178 T 6.71 4.15 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 0.41 0.00 0.00 179 F 7.26 4.68 0.00 3.09 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 * Residues marked with a * may have inaccurate shift predictions.