NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 24 V 4.1864 8.0549 114.0708 60.2442 33.2940 175.1294 25 P 4.2571 0.0000 0.0000 62.1174 31.7598 175.1640 26 N 5.0929 9.1322 121.1414 53.1400 40.4093 173.8845 27 E 4.1812 8.1832 116.8425 54.9936 30.0242 175.5370 28 P 4.5528 0.0000 0.0000 62.9741 32.4234 175.9544 29 I 4.4033 8.6517 123.6456 59.4948 41.0572 173.9133 30 N 5.3097 8.5029 123.8410 51.2970 39.9464 174.7163 31 W 4.0301 9.5317 135.0000 57.4400 31.2180 175.4297 32 G 3.5848 6.4395 113.5768 45.2133 0.0000 171.9155 33 F 4.3269 6.8257 112.3726 55.4760 39.7856 173.9058 34 K 4.0478 8.5408 121.7531 56.0099 32.4537 177.7458 35 R 4.3855 8.3200 122.2005 55.9201 30.7326 176.4658 36 S 4.2699 8.6633 114.5708 58.5179 63.2119 173.7281 37 V 4.3757 7.7697 125.2840 62.2600 34.2312 174.8471 38 N 3.9662 9.4575 121.3559 54.5354 35.9413 173.9246 39 H 4.8434 8.0974 110.3997 56.3805 26.3253 174.5771 40 Q 4.6931 7.7703 117.3194 53.4254 30.3778 174.2363 41 P 4.1086 0.0000 0.0000 62.0869 31.9327 174.9057 42 P 4.6508 0.0000 0.0000 62.0426 32.3517 175.2162 43 D 4.8266 8.2495 117.7238 52.8869 43.6126 174.8388 44 A 3.8921 8.9118 128.8794 52.4878 18.7913 178.3678 45 G 4.0919 9.4361 102.4910 45.4572 0.0000 174.9283 46 K 3.8694 8.7777 119.0693 59.6858 32.1386 179.2954 47 Q 4.0101 8.1116 117.3336 59.2661 28.6231 178.9862 48 L 4.1634 7.8513 120.4616 57.9070 42.1223 178.5108 49 N 4.5664 8.6828 117.0665 56.4663 38.5745 177.4816 50 S 4.1659 8.5044 116.8941 61.6357 62.7563 176.5734 51 L 4.1795 7.7236 121.1289 58.2726 42.1529 178.7142 52 I 4.0673 8.3392 119.9952 64.7960 37.1813 178.3338 53 E 4.1026 8.7103 119.3629 59.2363 29.0547 179.3980 54 K 3.9881 8.1549 118.9041 58.4766 31.9369 176.8376 55 Y 4.5312 7.7720 115.1385 57.1539 38.7128 175.8092 56 D 4.8449 8.1905 117.0354 55.0986 39.0655 173.9343 57 A 4.3402 7.4779 121.8778 52.0860 19.1910 177.3320 58 F 5.0461 7.5073 113.0074 56.0074 40.8057 174.5490 59 Y 4.7188 8.3119 116.7278 56.2268 39.1755 175.0610 60 L 4.8973 7.4966 119.1910 52.8999 45.5056 177.1788 61 G 3.7353 8.9106 112.0014 46.2234 0.0000 174.9153 62 N 4.7990 9.3196 125.8706 53.2043 39.1522 176.4423 63 T 4.3435 8.6090 116.1268 62.6990 69.3028 175.3103 64 K 4.3598 8.7117 121.8339 56.7833 32.5291 175.9349 65 E 4.6158 7.5250 115.2503 53.9177 32.9614 176.4768 66 K 4.1325 8.1829 122.8274 56.0137 30.3644 175.0793 67 T 5.0170 7.7276 118.9788 61.3017 73.2460 173.3255 68 I 4.7344 7.9431 124.6429 59.5129 41.4406 173.9488 69 Y 5.5326 8.6098 122.9947 55.4394 40.7431 174.7272 70 L 4.7991 8.6389 124.9374 54.0428 43.0388 175.9720 71 T 5.0543 8.4395 112.8320 59.9720 72.8224 172.7607 72 F 5.4669 9.0846 120.2122 54.8429 43.6148 173.3221 73 D 5.2869 8.5638 121.0081 52.6942 43.0343 175.6401 74 N 4.4777 9.3874 120.6789 51.6968 40.8329 174.9768 75 G 3.9119 8.5352 113.2681 46.5267 0.0000 171.4989 76 Y 5.0373 7.2418 115.0551 56.3934 40.4254 172.7245 77 E 4.8037 8.9383 120.7348 54.6789 31.6449 174.6727 78 N 4.9505 8.9243 122.2133 53.2888 39.8430 174.8532 79 G 3.7153 8.7604 103.5841 45.2049 0.0000 174.4324 80 Y 4.7849 7.4111 115.6145 58.1326 39.1799 177.5069 81 T 3.9454 8.2450 117.8151 66.0269 68.5022 174.5546 82 P 4.2128 0.0000 0.0000 65.5580 31.3315 178.7505 83 K 4.0290 8.0703 116.8290 59.3294 31.9681 179.3506 84 V 3.6113 7.8979 118.5767 66.1160 31.4681 178.1490 85 L 3.9735 8.2356 118.9899 57.8314 41.3970 179.2449 86 D 4.3830 8.2109 119.0126 57.1915 40.7012 179.0069 87 V 3.6018 8.1045 119.0362 66.0530 31.5109 178.1074 88 L 4.0359 8.1402 118.8579 57.6073 41.4297 179.4752 89 K 3.9334 8.2149 119.6217 59.3025 31.9458 178.5969 90 K 3.8316 7.8887 118.7375 59.7668 32.2001 177.5865 91 H 4.5312 7.9856 112.6716 54.6350 29.6792 174.8624 92 R 3.7298 7.6506 120.4817 57.6326 28.8673 175.6528 93 V 4.4891 7.9846 115.7956 61.4388 34.2196 175.3159 94 T 4.5740 8.6492 123.9900 62.3544 69.5364 174.6497 95 G 4.1460 9.1744 113.8361 45.3465 0.0000 172.0847 96 T 5.0362 8.2150 116.5806 61.6197 71.5225 173.3021 97 F 5.0703 9.4214 126.5725 55.8078 41.3263 175.3165 98 F 4.7866 9.4849 124.7738 56.7371 39.6401 175.4249 99 V 4.9107 8.5931 118.1384 59.8719 34.4818 175.9672 100 T 5.4042 7.6484 114.0206 59.6429 71.1665 176.0944 101 G 2.1995 8.2498 108.5758 47.6567 0.0000 175.4301 102 H 3.9807 7.8195 120.1756 58.8829 29.8180 176.9265 103 F 3.9371 8.0457 122.2610 61.1782 39.0152 177.2808 104 V 3.5320 7.5546 116.6528 66.0214 31.4444 177.8805 105 K 4.0796 7.8777 117.1611 59.4569 31.9566 178.5790 106 D 4.3683 8.0696 117.6797 55.7870 42.4870 176.2192 107 Q 4.4454 7.8311 117.8164 53.1420 29.4124 174.4374 108 P 4.1799 0.0000 0.0000 66.3313 31.6319 178.1950 109 Q 3.9186 7.9345 117.1377 58.6270 28.5364 178.7228 110 L 3.9362 7.6742 119.5212 57.7600 41.7644 179.2934 111 I 3.6585 7.7090 119.8193 64.2880 37.0187 178.4261 112 K 3.9427 8.2598 120.7894 59.4037 31.9249 179.1958 113 R 3.9063 7.9599 118.4582 59.3308 29.9549 178.7511 114 M 3.9556 8.1180 118.7619 58.4394 31.8229 178.7774 115 S 4.0415 7.9256 112.8861 61.7045 62.4437 175.9970 116 D 4.3940 8.3860 120.3349 56.7209 40.4743 177.5025 117 E 4.5497 8.2790 117.8439 55.9346 30.0369 177.1758 118 G 3.8353 7.6798 106.5365 45.8065 0.0000 173.9061 119 H 4.8268 7.7705 116.7446 55.2031 30.5383 174.4251 120 I 4.5598 8.7200 120.2353 59.8910 39.5070 175.1511 121 I 4.7727 8.9950 127.9596 59.8554 38.5365 175.8305 122 G 3.6847 8.8890 115.1246 44.7313 0.0000 171.2383 123 N 5.3119 9.3141 119.2957 52.1059 40.4725 174.3788 124 H 5.0973 9.1176 125.3807 55.7025 31.0044 174.1229 125 S 4.6024 9.1654 110.0215 58.0946 64.1066 170.5440 126 F 3.7351 9.0108 123.9204 61.6087 39.1621 176.6135 127 H 4.8444 9.1890 114.1352 55.0391 29.2341 174.0968 128 H 3.9275 8.0431 118.5200 56.4682 28.3106 172.5067 129 P 4.5550 0.0000 0.0000 61.2052 33.2042 174.8013 130 D 4.4937 8.3629 117.9397 53.6489 41.0424 176.7673 131 L 4.1748 8.5642 127.8940 57.5442 41.8909 179.2342 132 T 4.2589 8.3401 108.2371 63.6084 68.8788 175.1310 133 T 4.3880 7.7233 111.2665 61.3984 69.2366 174.4680 134 K 4.8601 7.6674 121.7216 54.9581 34.8080 176.6852 135 T 4.4107 9.3028 112.8821 60.7999 71.1088 175.8012 136 A 4.0248 8.6837 123.2181 55.7598 18.3309 179.7170 137 D 4.3217 8.1256 116.5969 57.6288 40.8821 178.9433 138 Q 4.0141 8.1442 118.4848 59.0151 28.7548 178.8553 139 I 3.6869 8.3000 121.1456 64.4513 37.0807 178.1347 140 Q 3.9923 8.3380 120.5818 59.3997 28.8248 178.0642 141 D 4.3095 8.2166 118.9776 57.2704 41.2658 177.9429 142 E 4.0593 8.6294 119.6391 59.2618 29.2991 179.3470 143 L 4.0378 8.0408 118.8017 57.6668 41.8971 178.8177 144 D 4.4417 8.3902 118.1255 57.4846 41.1351 178.3244 145 S 4.1713 8.3580 115.8437 61.4873 62.6557 176.9984 146 V 3.7649 7.8643 121.0397 66.2872 31.4282 177.8262 147 N 4.4098 8.3410 115.7824 56.2114 38.3825 176.6638 148 E 3.9354 8.6507 121.0938 59.5125 29.6483 178.6009 149 E 4.0308 8.3049 119.1544 59.2218 29.6932 178.8886 150 V 3.6218 8.2127 118.5712 66.1930 31.6148 177.3329 151 Y 4.0984 8.6518 119.6473 60.6351 38.4054 177.7757 152 K 3.9572 8.1791 119.5065 59.6884 32.2391 178.5072 153 I 3.9028 7.3811 119.2026 64.0226 37.3519 177.6068 154 T 4.3323 8.1325 108.0929 60.6417 69.6960 175.6922 155 G 3.0550 7.8792 109.0114 45.3024 0.0000 172.8232 156 K 4.7123 7.4762 117.4964 54.6027 35.9499 175.8214 157 Q 4.4276 8.2710 120.3639 55.2291 31.1411 173.8918 158 D 4.6739 8.5914 125.4342 53.5749 41.7756 175.7983 159 N 4.2328 8.4004 117.6823 53.5159 39.1645 175.0988 160 L 4.0607 7.8218 120.9359 54.7135 42.5284 175.5613 161 Y 5.5012 8.6363 121.1259 56.1259 42.3428 174.2778 162 L 5.2428 9.5024 124.8427 53.2954 45.8855 175.1031 163 R 4.3798 8.5200 125.6105 53.4761 32.0965 173.4308 164 P 4.2784 0.0000 0.0000 61.9196 32.2111 174.3795 165 P 4.1120 0.0000 0.0000 64.4705 31.5979 176.5220 166 R 3.5510 9.5223 119.2955 56.6190 27.9999 176.4976 167 G 4.4098 8.6271 104.6202 46.5398 0.0000 173.2242 168 V 4.8664 7.9233 119.8907 61.8153 32.6039 175.3685 169 F 5.0754 8.8904 122.9182 58.0541 41.3030 172.8196 170 S 4.5041 8.6421 110.6147 57.1591 65.1989 176.8898 171 E 3.7731 8.6397 120.8073 59.5501 29.3145 178.0622 172 Y 4.0900 8.1124 119.5383 60.8412 38.8428 178.4287 173 V 3.2004 7.8174 119.0588 65.6627 31.5831 178.0888 174 L 3.8406 7.9449 118.9672 57.3589 41.4316 179.3042 175 K 3.9265 7.7850 119.9191 59.5142 32.2337 178.4881 176 E 3.8737 7.8714 119.7592 59.4851 29.4631 178.8923 177 T 3.9518 7.7818 109.8873 64.5355 68.7588 176.5801 178 K 4.2593 8.0963 124.0047 58.8185 31.9953 178.8192 179 R 3.9399 7.8686 118.3336 59.0635 30.0911 177.6360 180 L 4.4083 7.6590 116.1581 54.9238 41.8398 177.6707 181 G 3.8400 8.2166 107.8753 45.2878 0.0000 173.0090 182 Y 4.5081 8.2273 117.7609 56.8610 40.0284 174.2172 183 Q 4.5182 8.6294 124.4781 55.0336 31.2173 174.3150 184 T 4.5174 8.3162 123.4041 62.5290 70.2064 173.6522 185 V 3.5003 7.9860 127.4686 60.5417 32.4847 174.7854 186 F 4.7054 7.9252 134.8977 56.6779 40.1824 175.4371 187 W 5.0348 7.5343 123.2274 56.9966 30.2989 174.1826 188 S 4.2735 9.5182 111.7638 57.6769 64.0448 174.2981 189 V 4.8298 8.0606 120.6857 61.6416 34.5635 173.3895 190 A 5.0736 8.9247 127.4657 51.5142 22.1118 174.7879 191 F 4.7788 7.7318 113.7862 55.8838 40.7239 175.1211 192 V 3.7454 8.4779 120.9910 61.8092 29.5137 174.4037 193 D 5.0462 8.2618 124.2576 52.1926 39.8859 176.9141 194 W 4.6879 7.3182 113.3236 56.4690 29.3784 175.3135 195 K 4.2635 7.1573 119.9946 55.1793 30.8178 177.2931 196 I 3.8504 8.3727 126.3250 63.9216 37.2344 177.2046 197 N 4.6797 8.0459 115.0850 53.4742 37.8308 175.5373 198 N 4.7814 7.6073 116.4998 53.1043 40.1129 172.6181 199 Q 4.2608 7.8133 117.7228 54.2188 28.5141 176.3965 200 K 3.8723 8.2465 123.5205 57.3286 32.7617 176.8923 201 G 3.7936 8.2211 104.0089 43.9949 0.0000 174.3383 202 K 4.0296 8.8074 118.1531 59.5352 32.1052 178.3556 203 K 3.9467 8.1271 119.3439 59.6870 31.9366 177.6452 204 Y 3.9531 8.1621 118.9572 60.7391 38.6864 178.0322 205 A 3.6635 7.8177 120.2031 55.1493 18.5709 178.7881 206 Y 3.9482 8.2552 118.3253 61.1234 38.7969 178.1076 207 D 4.1383 8.6075 119.8873 57.6673 40.8228 178.7046 208 H 3.7822 7.2917 116.3261 59.0111 28.3545 177.8591 209 M 4.0368 7.4563 119.1959 58.0623 31.4425 178.8127 210 I 3.7812 7.2673 120.1005 64.2088 37.1952 178.5004 211 K 3.9849 7.8115 117.9694 59.5450 31.9134 178.3650 212 Q 4.2061 8.0404 114.9317 56.3726 29.4186 176.2626 213 A 4.1189 7.6753 121.0237 52.3184 19.1753 176.2154 214 H 5.3065 8.2012 114.3827 53.7402 31.1125 171.4681 215 P 4.5448 0.0000 0.0000 64.2440 31.6979 177.2058 216 G 4.0814 9.2714 110.2014 45.4111 0.0000 172.9925 217 A 4.4758 7.9185 122.5007 52.2862 19.8141 176.9824 218 I 5.0530 9.1652 123.5822 59.9364 39.0807 174.7072 219 Y 4.8993 9.0346 126.0238 57.3793 39.4822 174.6239 220 L 4.8407 8.6893 125.7225 52.4382 43.9415 175.4391 221 L 4.6304 8.2935 125.7456 53.1711 45.7243 175.4916 222 H 5.2034 9.4485 118.5121 54.0386 31.7599 174.3267 223 T 4.7511 8.3924 107.1076 61.7982 68.9440 175.1391 224 V 4.3485 8.0155 115.1359 62.2765 33.0868 175.9973 225 S 4.7603 7.8532 114.9521 56.2868 63.4682 172.8414 226 R 3.5025 8.6208 126.2012 58.2576 30.1203 175.7689 227 D 5.2223 8.6270 121.7417 54.6417 38.8821 175.1752 228 N 4.3555 7.8105 120.1271 56.1042 36.9543 177.0735 229 A 4.0706 7.8407 122.5555 55.0453 18.6058 179.3219 230 E 3.9313 8.1599 116.4960 59.2873 29.5702 179.2053 231 A 4.1080 8.3360 121.1605 55.1791 18.4439 179.4299 232 L 4.0293 8.2159 118.9099 58.1846 42.1570 178.5686 233 D 4.3791 8.3789 118.1032 57.6663 41.1354 178.1238 234 D 4.3983 8.3041 119.0235 57.3181 40.7261 178.6521 235 A 4.1619 8.7489 121.7834 55.2670 18.3671 179.8391 236 I 3.5878 8.1423 118.7087 64.6262 36.9681 178.6191 237 T 3.9035 7.8226 116.5644 67.0941 68.4039 176.4163 238 D 4.5146 8.6025 120.7806 57.1553 40.8594 178.8957 239 L 4.1707 8.5019 120.1761 57.5784 41.5290 179.5686 240 K 4.4374 8.4087 120.0309 59.0018 31.7853 179.4865 241 K 4.0266 7.7808 117.7270 59.4407 32.0712 178.6653 242 Q 4.3124 7.7306 115.2110 56.5401 28.7294 176.8469 243 G 3.9216 8.1192 109.0091 45.1457 0.0000 173.1780 244 Y 4.5007 7.9984 117.4200 57.3193 39.7970 174.5954 245 T 4.7087 8.5785 118.7020 61.8232 71.9453 173.0009 246 F 4.9839 8.9224 124.2635 55.9713 40.7168 175.2628 247 K 4.8616 8.4945 122.6697 54.4633 36.3215 175.8776 248 S 5.0988 9.2696 116.9561 57.1497 64.9270 175.5334 249 I 3.6618 7.7884 121.2374 64.4521 36.4766 178.6281 250 D 4.6615 7.9922 120.8290 56.9532 40.6423 178.3208 251 D 4.4921 8.3951 119.6166 57.1053 40.6738 178.4293 252 L 3.9148 8.0881 120.9363 58.4502 41.8057 179.0274 253 M 3.9376 7.8505 116.9585 58.2926 32.3346 178.1522 254 F 4.3191 8.4132 120.7403 61.6121 39.3923 177.0821 255 E 3.8333 8.4773 117.1970 58.6589 29.3289 178.6398 256 K 4.1595 7.4602 116.5517 57.7307 33.1913 178.1625 257 E 3.8823 7.5417 123.0308 59.9525 29.6622 176.6818 *258 M 4.2790 7.8781 120.0165 54.6728 32.2267 176.9101 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 24 V 8.05 4.19 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 1.04 0.00 0.00 1.11 0.00 0.00 25 P 0.00 4.26 0.00 2.28 1.98 0.00 3.76 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 26 N 9.13 5.09 0.00 2.47 2.65 0.00 0.00 7.09 7.65 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 27 E 8.18 4.18 0.00 1.86 1.83 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 2.28 2.25 0.00 28 P 0.00 4.55 0.00 1.88 1.95 0.00 3.57 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 29 I 8.65 4.40 0.56 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.54 0.51 0.00 0.00 30 N 8.50 5.31 0.00 2.55 2.76 0.00 0.00 7.00 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 31 W 9.53 4.03 0.00 2.92 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 32 G 6.44 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 6.83 4.33 0.00 2.92 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.54 4.05 0.00 1.79 1.80 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.40 7.81 35 R 8.32 4.39 0.00 1.83 1.96 0.00 3.22 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.53 0.00 36 S 8.66 4.27 0.00 3.80 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 37 V 7.77 4.38 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 0.98 0.00 0.00 0.99 0.00 0.00 38 N 9.46 3.97 0.00 2.92 2.89 0.00 0.00 7.02 8.16 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 39 H 8.10 4.84 0.00 3.39 3.49 0.00 5.73 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 7.77 4.69 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.94 6.84 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 41 P 0.00 4.11 0.00 2.05 2.01 0.00 3.70 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 2.31 0.00 42 P 0.00 4.65 0.00 2.01 2.34 0.00 3.59 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.13 0.00 43 D 8.25 4.83 0.00 2.63 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.91 3.89 0.67 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 0.00 0.00 45 G 9.44 4.09 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 0.00 0.00 0.00 46 K 8.78 3.87 0.00 1.82 1.92 0.00 1.70 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.57 7.81 47 Q 8.11 4.01 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 48 L 7.85 4.16 0.00 1.79 1.65 0.98 0.21 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 49 N 8.68 4.57 0.00 3.02 2.97 0.00 0.00 6.96 7.13 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 50 S 8.50 4.17 0.00 3.97 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 51 L 7.72 4.18 0.00 1.95 1.90 1.02 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.34 4.07 2.43 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 1.74 0.80 1.14 0.00 0.00 53 E 8.71 4.10 0.00 2.16 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 2.38 2.42 0.00 54 K 8.15 3.99 0.00 2.03 1.72 0.00 0.75 0.00 0.00 1.40 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.55 7.81 55 Y 7.77 4.53 0.00 3.20 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 56 D 8.19 4.84 0.00 2.94 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 57 A 7.48 4.34 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 58 F 7.51 5.05 0.00 3.16 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 59 Y 8.31 4.72 0.00 2.97 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.50 4.90 0.00 1.18 1.46 0.75 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.91 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 62 N 9.32 4.80 0.00 2.83 2.82 0.00 0.00 7.38 6.73 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 63 T 8.61 4.34 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 1.27 0.00 0.00 64 K 8.71 4.36 0.00 1.84 1.87 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.35 7.81 65 E 7.53 4.62 0.00 1.89 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 2.29 2.20 0.00 66 K 8.18 4.13 0.00 1.57 1.45 0.00 1.32 0.00 0.00 1.38 0.00 0.00 2.16 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.30 0.89 7.81 67 T 7.73 5.02 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 0.55 0.00 0.00 68 I 7.94 4.73 0.68 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.49 0.27 0.00 0.00 69 Y 8.61 5.53 0.00 2.90 2.88 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 70 L 8.64 4.80 0.00 1.60 1.30 0.77 0.37 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 71 T 8.44 5.05 4.50 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 0.00 0.00 0.00 1.32 0.00 0.00 72 F 9.08 5.47 0.00 2.61 2.82 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 0.00 0.00 0.00 73 D 8.56 5.29 0.00 2.31 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 74 N 9.39 4.48 0.00 1.74 1.42 0.00 0.00 6.44 7.62 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 75 G 8.54 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 76 Y 7.24 5.04 0.00 3.19 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.94 4.80 0.00 1.96 1.88 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 2.15 2.38 0.00 78 N 8.92 4.95 0.00 2.89 2.92 0.00 0.00 7.32 7.98 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 79 G 8.76 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 0.00 0.00 0.00 80 Y 7.41 4.78 0.00 3.31 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 81 T 8.25 3.95 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 1.12 0.00 0.00 82 P 0.00 4.21 0.00 2.15 2.08 0.00 3.54 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 83 K 8.07 4.03 0.00 2.06 1.92 0.00 1.75 0.00 0.00 1.83 0.00 0.00 3.14 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.58 1.58 7.81 84 V 7.90 3.61 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 0.82 0.00 0.00 1.01 0.00 0.00 85 L 8.24 3.97 0.00 1.81 1.66 0.75 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 86 D 8.21 4.38 0.00 2.86 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 87 V 8.10 3.60 2.28 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 1.11 0.00 0.00 1.07 0.00 0.00 88 L 8.14 4.04 0.00 1.93 2.03 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 89 K 8.21 3.93 0.00 1.95 1.96 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.45 7.81 90 K 7.89 3.83 0.00 1.80 1.95 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.19 1.40 7.81 91 H 7.99 4.53 0.00 3.12 3.22 0.00 5.86 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 92 R 7.65 3.73 0.00 1.92 1.95 0.00 3.22 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 93 V 7.98 4.49 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.75 0.00 0.00 94 T 8.65 4.57 4.32 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 1.32 0.00 0.00 95 G 9.17 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 96 T 8.21 5.04 4.14 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 0.69 0.00 0.00 97 F 9.42 5.07 0.00 2.85 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 98 F 9.48 4.79 0.00 3.05 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.59 4.91 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 0.00 0.72 0.00 0.00 1.06 0.00 0.00 100 T 7.65 5.40 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 1.24 0.00 0.00 101 G 8.25 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 0.00 0.00 0.00 102 H 7.82 3.98 0.00 3.20 3.33 0.00 5.68 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 0.00 103 F 8.05 3.94 0.00 3.41 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 0.00 104 V 7.55 3.53 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 1.09 0.00 0.00 105 K 7.88 4.08 0.00 1.67 1.83 0.00 1.96 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.53 1.68 7.81 106 D 8.07 4.37 0.00 2.34 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Q 7.83 4.45 0.00 1.15 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.54 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 108 P 0.00 4.18 0.00 2.20 2.26 0.00 3.65 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 109 Q 7.93 3.92 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 110 L 7.67 3.94 0.00 1.72 1.67 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.71 3.66 2.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.01 0.91 0.00 0.00 112 K 8.26 3.94 0.00 1.92 1.91 0.00 1.47 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.65 7.81 113 R 7.96 3.91 0.00 1.99 1.89 0.00 3.15 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 114 M 8.12 3.96 0.00 1.90 2.15 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 1.56 0.00 115 S 7.93 4.04 0.00 3.89 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 0.00 116 D 8.39 4.39 0.00 2.65 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 0.00 117 E 8.28 4.55 0.00 2.06 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 2.28 2.29 0.00 118 G 7.68 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 0.00 119 H 7.77 4.83 0.00 3.31 3.76 0.00 5.82 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 I 8.72 4.56 1.89 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 1.32 0.70 1.03 0.00 0.00 121 I 8.99 4.77 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.61 0.96 0.00 0.00 122 G 8.89 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 N 9.31 5.31 0.00 3.02 2.85 0.00 0.00 7.07 7.98 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 0.00 124 H 9.12 5.10 0.00 3.34 3.34 0.00 6.06 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 S 9.17 4.60 0.00 4.23 4.14 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 0.00 126 F 9.01 3.74 0.00 3.29 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 0.00 127 H 9.19 4.84 0.00 3.32 3.41 0.00 6.06 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 H 8.04 3.93 0.00 3.24 3.38 0.00 5.94 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 0.00 129 P 0.00 4.55 0.00 2.24 2.10 0.00 3.85 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 130 D 8.36 4.49 0.00 2.71 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 0.00 131 L 8.56 4.17 0.00 1.79 1.73 0.87 0.66 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 0.00 132 T 8.34 4.26 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 1.30 0.00 0.00 133 T 7.72 4.39 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 1.22 0.00 0.00 134 K 7.67 4.86 0.00 1.97 1.79 0.00 1.81 0.00 0.00 1.79 0.00 0.00 3.10 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.52 7.81 135 T 9.30 4.41 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 1.28 0.00 0.00 136 A 8.68 4.02 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 D 8.13 4.32 0.00 2.76 2.75 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 0.00 138 Q 8.14 4.01 0.00 2.38 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 139 I 8.30 3.69 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 1.41 1.09 0.83 0.00 0.00 140 Q 8.34 3.99 0.00 2.13 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 141 D 8.22 4.31 0.00 2.85 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 0.00 142 E 8.63 4.06 0.00 2.19 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 2.53 2.56 0.00 143 L 8.04 4.04 0.00 1.66 1.48 0.17 0.56 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 0.00 144 D 8.39 4.44 0.00 2.87 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 0.00 145 S 8.36 4.17 0.00 3.99 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 0.00 146 V 7.86 3.76 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 1.22 0.00 0.00 1.11 0.00 0.00 147 N 8.34 4.41 0.00 2.97 2.94 0.00 0.00 6.67 7.66 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 0.00 148 E 8.65 3.94 0.00 2.09 2.21 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 2.34 2.44 0.00 149 E 8.30 4.03 0.00 2.35 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 2.41 2.43 0.00 150 V 8.21 3.62 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 1.00 0.00 0.00 1.04 0.00 0.00 151 Y 8.65 4.10 0.00 3.12 3.12 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 0.00 152 K 8.18 3.96 0.00 1.89 2.09 0.00 1.88 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.54 7.81 153 I 7.38 3.90 2.02 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 1.56 0.73 0.87 0.00 0.00 154 T 8.13 4.33 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 1.22 0.00 0.00 155 G 7.88 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 0.00 0.00 0.00 156 K 7.48 4.71 0.00 1.70 1.70 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.50 7.81 157 Q 8.27 4.43 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.04 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 158 D 8.59 4.67 0.00 2.76 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 0.00 159 N 8.40 4.23 0.00 2.53 2.35 0.00 0.00 6.95 7.85 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 0.00 160 L 7.82 4.06 0.00 1.23 0.64 0.71 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 161 Y 8.64 5.50 0.00 2.97 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 L 9.50 5.24 0.00 1.55 1.44 0.85 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 163 R 8.52 4.38 0.00 0.67 1.19 0.00 2.93 0.00 0.00 2.85 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.33 0.00 164 P 0.00 4.28 0.00 2.39 2.13 0.00 3.53 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 165 P 0.00 4.11 0.00 2.20 1.51 0.00 3.72 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 2.14 2.16 0.00 166 R 9.52 3.55 0.00 1.95 2.02 0.00 3.34 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 167 G 8.63 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 V 7.92 4.87 2.16 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 0.95 0.00 0.00 1.02 0.00 0.00 169 F 8.89 5.08 0.00 3.13 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 0.00 170 S 8.64 4.50 0.00 3.91 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 0.00 171 E 8.64 3.77 0.00 2.12 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 2.46 2.37 0.00 172 Y 8.11 4.09 0.00 3.12 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 0.00 173 V 7.82 3.20 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.99 0.00 0.00 174 L 7.94 3.84 0.00 1.29 1.24 1.12 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 175 K 7.78 3.93 0.00 1.74 1.85 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.72 7.81 176 E 7.87 3.87 0.00 1.77 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.24 0.00 177 T 7.78 3.95 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 1.10 0.00 0.00 178 K 8.10 4.26 0.00 2.05 2.19 0.00 2.03 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.53 1.38 7.81 179 R 7.87 3.94 0.00 2.07 2.09 0.00 3.34 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 180 L 7.66 4.41 0.00 2.10 1.93 0.96 1.05 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 0.00 181 G 8.22 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 0.00 182 Y 8.23 4.51 0.00 3.12 2.88 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 0.00 183 Q 8.63 4.52 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.81 2.59 0.00 184 T 8.32 4.52 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 0.10 0.00 0.00 185 V 7.99 3.50 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 0.56 0.00 0.00 0.75 0.00 0.00 186 F 7.93 4.71 0.00 1.69 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 W 7.53 5.03 0.00 3.61 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 0.00 188 S 9.52 4.27 0.00 3.89 4.32 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 0.00 189 V 8.06 4.83 1.57 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 0.65 0.00 0.00 0.79 0.00 0.00 190 A 8.92 5.07 1.26 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 0.00 0.00 0.00 191 F 7.73 4.78 0.00 2.92 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 0.00 192 V 8.48 3.75 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 -0.04 0.00 0.00 0.96 0.00 0.00 193 D 8.26 5.05 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 0.00 194 W 7.32 4.69 0.00 3.35 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 0.00 195 K 7.16 4.26 0.00 1.37 1.56 0.00 1.18 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.92 0.21 7.81 196 I 8.37 3.85 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 1.69 0.93 0.99 0.00 0.00 197 N 8.05 4.68 0.00 2.82 2.93 0.00 0.00 5.74 8.04 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 0.00 198 N 7.61 4.78 0.00 2.59 2.56 0.00 0.00 7.12 6.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 Q 7.81 4.26 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 200 K 8.25 3.87 0.00 1.40 1.66 0.00 0.61 0.00 0.00 0.88 0.00 0.00 2.74 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.18 1.27 7.81 201 G 8.22 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 0.00 202 K 8.81 4.03 0.00 1.84 1.82 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.52 1.61 7.81 203 K 8.13 3.95 0.00 1.89 1.86 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.69 1.58 7.81 204 Y 8.16 3.95 0.00 3.13 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 0.00 205 A 7.82 3.66 1.61 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 0.00 206 Y 8.26 3.95 0.00 3.12 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 0.00 207 D 8.61 4.14 0.00 2.49 2.50 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 0.00 0.00 0.00 0.00 208 H 7.29 3.78 0.00 1.91 2.35 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 0.00 209 M 7.46 4.04 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.93 0.00 210 I 7.27 3.78 1.66 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 0.57 0.63 0.84 0.00 0.00 211 K 7.81 3.98 0.00 1.65 1.79 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.39 7.81 212 Q 8.04 4.21 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 213 A 7.68 4.12 1.21 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 0.00 214 H 8.20 5.31 0.00 3.38 3.46 0.00 5.47 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 P 0.00 4.54 0.00 2.19 2.20 0.00 3.94 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 216 G 9.27 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 0.00 217 A 7.92 4.48 1.26 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 0.00 0.00 0.00 218 I 9.17 5.05 2.22 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.77 1.12 0.00 0.00 219 Y 9.03 4.90 0.00 2.81 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 0.00 220 L 8.69 4.84 0.00 1.21 1.07 -0.51 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 221 L 8.29 4.63 0.00 1.06 1.45 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 222 H 9.45 5.20 0.00 3.16 3.26 0.00 5.79 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 T 8.39 4.75 4.34 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 1.29 0.00 0.00 224 V 8.02 4.35 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 0.29 0.00 0.00 1.04 0.00 0.00 225 S 7.85 4.76 0.00 4.11 3.76 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 0.00 226 R 8.62 3.50 0.00 1.96 1.86 0.00 3.48 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 227 D 8.63 5.22 0.00 2.87 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 0.00 228 N 7.81 4.36 0.00 3.04 3.22 0.00 0.00 6.88 7.17 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 0.00 229 A 7.84 4.07 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 0.00 230 E 8.16 3.93 0.00 2.20 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 231 A 8.34 4.11 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 232 L 8.22 4.03 0.00 2.01 1.96 0.98 1.27 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 0.00 233 D 8.38 4.38 0.00 3.01 2.87 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 0.00 234 D 8.30 4.40 0.00 3.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.75 4.16 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 0.00 236 I 8.14 3.59 1.45 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.42 0.26 0.00 0.00 237 T 7.82 3.90 4.45 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 1.27 0.00 0.00 238 D 8.60 4.51 0.00 2.87 2.84 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 0.00 239 L 8.50 4.17 0.00 1.98 1.63 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 240 K 8.41 4.44 0.00 2.16 1.96 0.00 1.75 0.00 0.00 1.84 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.69 1.75 7.81 241 K 7.78 4.03 0.00 1.93 1.92 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.73 7.81 242 Q 7.73 4.31 0.00 2.36 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.68 0.00 0.00 0.00 0.00 0.00 2.45 2.70 0.00 243 G 8.12 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 0.00 244 Y 8.00 4.50 0.00 2.93 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 245 T 8.58 4.71 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 1.19 0.00 0.00 246 F 8.92 4.98 0.00 2.82 2.92 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 0.00 247 K 8.49 4.86 0.00 1.53 1.91 0.00 1.62 0.00 0.00 1.88 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.23 7.81 248 S 9.27 5.10 0.00 4.05 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 0.00 249 I 7.79 3.66 1.51 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 1.49 0.89 0.31 0.00 0.00 250 D 7.99 4.66 0.00 2.77 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 0.00 251 D 8.40 4.49 0.00 3.02 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 0.00 252 L 8.09 3.91 0.00 1.47 1.64 -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 253 M 7.85 3.94 0.00 2.15 2.39 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.04 3.01 0.00 254 F 8.41 4.32 0.00 3.15 3.26 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 0.00 255 E 8.48 3.83 0.00 2.08 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 2.45 2.64 0.00 256 K 7.46 4.16 0.00 1.73 1.78 0.00 1.38 0.00 0.00 1.23 0.00 0.00 2.85 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.51 1.30 7.81 257 E 7.54 3.88 0.00 1.93 2.16 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 2.15 2.25 0.00 *258 M 7.88 4.28 0.00 1.82 1.86 0.00 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 * Residues marked with a * may have inaccurate shift predictions.