NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 P 4.3784 0.0000 0.0000 61.6700 32.8213 177.8736 18 L 3.7837 8.9064 126.9555 59.4354 41.5159 177.0286 19 T 3.8395 8.6396 116.2830 66.7460 68.8681 175.6643 20 E 3.9592 8.2052 119.7667 59.6681 29.5481 179.2166 21 I 3.6956 8.4119 120.0122 64.6283 37.2134 178.2532 22 Q 3.9669 8.1198 119.9311 59.1537 28.9902 177.9317 23 V 3.6202 8.1878 119.7353 66.4979 31.5175 177.9462 24 E 4.0811 8.5803 118.1897 59.3017 29.2800 179.4907 25 S 4.1771 8.1856 115.4733 61.7578 62.7740 176.1401 26 Y 4.0863 8.3268 122.1154 60.4157 38.6382 177.2666 27 K 3.9412 8.2416 119.5443 59.8207 32.0569 179.0538 28 K 3.9203 7.9939 117.7669 59.4730 32.3608 178.2904 29 A 4.0085 7.8718 121.0190 54.6103 17.9754 179.1474 30 L 3.9512 7.3738 116.1517 54.6183 42.6121 176.9938 31 Q 3.4697 8.3766 116.4051 56.7812 26.9921 176.0102 32 A 4.1657 8.3441 121.3907 55.0175 18.8123 178.9824 33 D 4.8460 8.0881 112.7356 53.7390 41.1796 176.0370 34 V 4.3443 7.1536 118.7317 58.6705 33.1093 174.0118 35 P 4.3152 0.0000 0.0000 61.9943 31.9240 175.0652 36 P 4.0808 0.0000 0.0000 65.8460 31.3427 178.4893 37 E 3.8892 8.1823 113.9380 59.1323 29.2427 178.1017 38 K 4.1938 7.7354 116.8715 57.4213 32.6425 177.4662 39 R 4.0329 7.7984 119.4432 55.8865 30.3216 176.6524 40 E 4.1748 8.5483 122.2015 55.7155 30.2323 176.4172 41 N 4.3318 8.5449 118.7190 53.9745 38.8160 174.6842 42 V 4.3476 8.4161 121.9369 61.9651 34.7151 174.4889 43 G 3.3312 7.7256 103.4616 48.1718 0.0000 176.2061 44 I 3.0040 7.1397 120.2251 63.3728 37.7184 178.1398 45 Q 4.1687 7.9910 119.6362 59.4168 29.2046 177.8624 46 A 4.0169 8.8169 122.2125 54.9880 18.0751 179.4164 47 A 3.8969 7.8136 118.9578 55.3719 18.6190 179.6044 48 F 4.2529 7.7895 116.1032 60.7215 38.7412 177.8044 49 K 3.8619 7.8629 117.0749 60.0199 31.9697 178.9069 50 E 4.1311 8.2005 117.7162 59.1920 29.4481 178.7246 51 T 4.2913 8.0534 114.5784 64.0977 69.3799 174.4072 52 F 4.9417 8.1371 123.3032 57.2082 39.5768 173.0904 53 P 5.3123 0.0000 0.0000 61.2282 33.3068 174.8843 54 I 4.2974 8.6504 126.4730 59.2917 39.4660 173.9788 55 E 5.2618 8.7386 128.6573 54.7517 32.3517 175.2800 56 E 4.7922 8.7450 122.0219 55.3278 34.5551 174.5927 57 G 4.2038 8.4150 108.6270 44.6636 0.0000 172.9643 *62 G 3.7081 8.3777 108.4538 45.0006 0.0000 173.0770 63 G 3.9937 8.2852 109.0983 45.5111 0.0000 172.2438 64 L 5.2072 8.5879 121.1773 52.5483 45.2824 175.6247 65 V 4.5401 8.4518 123.3892 61.0765 34.0302 173.7787 66 L 5.1401 8.9910 131.0144 53.6364 43.9475 174.5075 67 D 5.5271 8.9460 125.7927 52.5138 44.5895 174.2004 68 F 4.6225 8.5397 125.4410 57.2547 40.4756 174.1317 69 L 4.3500 7.4620 122.8634 55.7059 43.3941 176.3919 70 E 4.3555 6.5679 115.5976 54.9579 34.2331 173.1334 71 Y 4.9085 7.9877 118.4325 55.3520 41.3832 174.8827 72 R 4.9478 9.3077 119.9512 54.3866 33.7340 174.7616 73 I 5.1310 8.5116 116.0600 59.0216 39.8275 175.6150 74 G 4.0265 9.1026 115.1072 45.4741 0.0000 172.6149 75 D 4.8646 8.5098 119.7466 53.1866 41.6658 175.1198 76 P 4.6181 0.0000 0.0000 61.3427 32.2175 174.8516 77 P 4.1544 0.0000 0.0000 64.8577 31.5295 176.5757 78 F 5.0063 7.7564 116.4899 54.9180 41.4282 175.9912 79 S 4.6911 8.7594 120.2059 57.8795 65.1092 175.3077 80 Q 3.5262 8.3763 121.9469 59.4231 28.2829 179.2036 81 D 4.2775 8.0259 118.7948 57.6790 40.8681 178.4342 82 E 4.1786 7.7508 118.5816 59.1490 29.5010 179.5792 83 C 4.0753 8.3498 116.7191 62.9669 28.0227 176.4438 84 R 3.9436 7.7440 118.4855 59.0141 29.3507 178.7538 85 E 4.1159 8.4520 118.8572 58.7738 29.3319 178.5375 86 K 4.3494 8.3140 115.1312 54.8323 33.4809 175.9260 87 D 4.3589 7.9347 117.6192 55.9055 38.1385 171.4788 88 L 4.7758 7.8242 118.8373 53.3112 46.0147 176.6488 89 T 4.8862 8.3044 115.7305 62.4118 70.7057 174.6281 90 Y 4.7837 8.9130 128.8358 56.9514 38.3762 173.8663 91 Q 4.9929 8.1857 122.7978 54.5602 32.8896 173.0768 92 A 4.9704 8.9193 121.3680 49.2492 22.4731 173.9042 93 P 4.8647 0.0000 0.0000 62.7284 33.2845 175.0186 94 L 5.1685 8.9878 125.3652 53.9708 43.9715 174.8508 95 Y 5.1237 9.1120 124.2624 56.5669 40.9591 174.7271 96 A 4.9900 9.1023 122.7696 50.2230 22.7788 175.6071 97 R 4.4537 9.4303 124.1820 55.4970 30.6135 175.1720 98 L 5.1505 8.3478 125.9465 53.0254 45.8864 176.1738 99 Q 4.7180 8.5429 121.7561 54.9632 32.0999 173.2464 100 L 4.5309 8.8721 130.6526 54.7234 43.5124 175.3342 101 I 4.9481 8.6128 127.4461 59.8540 40.1486 174.4323 102 H 4.6317 9.1525 125.0432 54.9686 29.1854 176.4134 103 K 4.0160 8.6168 124.3126 59.6684 31.8441 178.7624 104 D 4.4808 8.3016 118.1113 56.5271 39.7315 177.5527 105 T 4.0371 8.0248 115.1670 65.4489 68.8998 176.0596 106 G 4.0322 8.6152 107.3611 44.5864 0.0000 173.5455 107 L 4.2596 7.7149 119.9193 54.8697 42.9685 176.0115 108 I 5.0049 8.2755 122.1457 59.4838 40.8346 175.0383 109 K 4.4877 9.2014 125.9513 54.7085 34.7108 174.7345 110 E 5.0025 8.7005 126.2995 55.1872 31.5320 174.7693 111 D 4.6592 8.6542 124.1078 53.1162 45.4648 174.0644 112 E 4.4204 8.9071 125.7047 56.0996 30.0600 176.1104 113 V 4.3174 8.9418 126.9137 61.0820 33.1016 174.9456 114 F 3.9259 9.1036 131.2482 58.1624 39.6586 174.4821 115 L 4.1983 7.8011 124.6374 54.2132 42.9969 175.5085 116 G 3.3280 5.3800 104.4631 43.7490 0.0000 171.7498 117 H 5.4122 8.5999 116.4624 54.0163 31.7685 173.3988 118 L 4.7459 8.7612 123.3171 52.4177 43.4438 174.5199 119 P 4.7399 0.0000 0.0000 62.7614 31.9400 175.7261 120 L 5.0644 8.4957 123.1051 53.5793 43.6042 176.1579 121 M 3.8087 8.6875 121.2519 54.6254 33.7306 175.1877 122 T 4.6597 7.6918 118.6914 61.1797 71.0783 175.7810 123 E 3.7861 8.5674 120.8845 58.7547 29.6722 177.8427 124 D 4.2581 7.9157 118.8175 55.6148 41.4613 176.7847 125 G 3.9022 8.8617 107.0722 44.6205 0.0000 172.8672 126 S 4.8562 7.5365 113.8876 56.6146 66.2318 172.8481 127 F 5.1159 9.6500 120.4840 56.0508 41.7510 175.0310 128 I 4.5956 8.4557 122.8665 60.0211 39.0424 174.5402 129 I 4.6342 8.5778 128.3988 60.0839 40.1121 176.2876 130 N 4.2617 9.4789 126.2153 54.3261 36.5740 174.5331 131 G 4.0412 8.4793 108.4077 45.3652 0.0000 173.5505 132 A 4.3133 8.1972 122.6515 50.9728 19.3659 177.0526 133 D 4.9761 8.6847 122.9070 55.3704 42.2224 176.0989 134 R 5.0256 9.6578 121.4771 54.9297 35.1703 174.2070 135 V 4.7746 8.8863 122.2746 61.2324 35.1834 173.9945 136 I 4.4663 8.5759 127.0482 59.7325 38.7132 175.1146 137 V 4.2060 8.2786 126.9296 60.9143 32.6525 174.9284 138 S 4.4761 8.5996 122.5620 57.9806 63.7304 173.7895 139 Q 4.1897 8.6280 123.2748 55.9720 28.8293 175.6273 *332 G 3.6848 7.7668 106.6167 46.2998 0.0000 171.8692 333 G 4.1792 9.0873 108.9020 44.8267 0.0000 174.3562 334 R 4.5173 7.4844 115.2685 53.7878 31.3842 176.1013 335 T 4.0982 8.5165 116.4735 61.6782 69.4201 174.7435 336 V 3.8771 8.4624 121.9620 65.9816 31.4126 177.9333 337 G 3.7958 8.3958 105.5165 47.9160 0.0000 175.5846 338 E 3.9245 8.1636 120.5823 59.0273 29.6709 178.8139 339 L 4.2284 8.0338 119.2434 58.3269 41.7974 179.5608 340 M 2.8590 8.4918 117.5963 58.1712 32.1060 177.6820 341 A 3.7615 7.9640 121.2521 55.4558 18.6305 179.0931 342 D 4.2970 8.8141 118.1578 57.8689 41.0717 179.2319 343 Q 3.9614 7.8244 119.5579 58.7149 28.8216 178.0030 344 F 3.8400 8.0680 122.0093 61.2648 39.4618 177.2023 345 R 3.7790 7.7394 117.8106 59.3451 29.6988 179.2054 346 V 3.6791 7.4305 116.9548 65.8978 31.3601 178.4033 347 G 3.3524 7.7401 105.3338 47.4356 0.0000 175.5252 348 L 3.7999 8.1794 122.9115 57.6526 42.2259 178.8451 349 A 3.9495 8.4576 121.1631 54.9694 18.1160 179.8987 350 R 3.8680 7.6621 116.9387 59.3020 30.0939 178.9599 351 L 3.8927 7.6302 120.0808 58.0514 41.9779 178.8212 352 A 3.8254 7.9029 120.7533 54.9549 17.8780 179.8913 353 R 3.8773 7.6105 115.8911 59.3800 30.3530 179.1444 354 G 3.8854 7.7241 105.8947 47.9174 0.0000 175.9080 355 V 4.1856 7.8837 122.9107 64.0725 30.2633 178.0259 356 R 3.8122 8.0025 120.5282 59.1751 29.9271 178.2734 357 E 4.1430 9.3374 118.5804 58.8222 29.5337 178.7833 358 R 4.4077 7.4435 115.7414 57.1744 30.5624 177.7177 359 M 4.3412 7.9159 117.3753 56.4306 31.9622 176.5715 360 V 4.1466 6.8336 115.2687 64.8659 33.0380 176.9035 361 M 4.1334 7.8556 117.7724 58.1177 31.8628 177.3717 362 G 3.7869 7.7269 106.5705 44.9244 0.0000 172.9826 363 S 4.5716 8.2648 113.7073 56.0211 63.0800 172.9932 364 P 4.2127 0.0000 0.0000 65.8754 31.3915 178.5119 365 D 4.4007 8.2634 116.8495 56.8913 40.7468 177.1618 366 T 4.4640 7.8054 106.1588 61.0385 69.5069 174.5022 367 L 4.2225 7.8892 124.1005 54.9789 42.2570 176.8558 368 T 4.8179 8.1423 112.8381 58.3550 73.4134 173.0982 369 P 4.2487 0.0000 0.0000 66.0196 30.9326 178.1511 370 A 4.0048 8.0291 119.0318 55.0592 18.3968 179.1795 371 K 4.0763 7.5206 114.5004 59.7720 32.6120 179.3850 372 L 4.2291 8.3060 119.3329 56.0404 41.3157 177.2215 373 V 4.3198 7.3818 119.1069 61.4381 32.0683 174.2649 374 N 4.9249 8.6299 126.1726 52.0486 40.4906 174.9266 375 S 4.4113 8.5326 119.5427 59.0913 63.5914 176.1172 376 R 4.1199 7.5177 123.5089 58.4518 29.8225 176.7784 377 P 4.2049 0.0000 0.0000 65.4230 31.3840 178.1532 378 L 3.6961 7.7561 118.4616 58.2688 41.9597 178.3969 379 E 3.8914 8.1888 118.0289 59.6476 29.4751 179.5424 380 A 4.0834 8.7676 121.1157 55.0208 18.5242 179.5349 381 A 3.9122 8.2771 119.6732 55.4068 18.3659 179.9559 382 L 4.1171 8.5651 117.6128 57.7136 41.5188 180.0640 383 R 4.1081 8.1464 118.4703 59.1859 30.1539 178.6244 384 E 3.9015 8.1952 118.4492 59.4404 29.2185 178.8401 385 F 4.0321 7.8146 118.9487 61.7909 39.4655 177.0220 386 F 3.9673 7.7651 116.5871 60.0131 38.8050 177.5535 387 S 4.4817 8.5238 115.1155 60.6674 62.8048 175.3340 388 R 4.1028 7.3972 121.7633 56.1585 29.7086 175.6900 389 S 4.5169 7.9201 117.6444 58.0211 65.6572 173.2110 390 Q 4.5541 8.3692 119.3698 54.6036 32.6712 174.7997 391 L 4.5932 8.6184 126.4934 54.4203 42.2881 177.3074 392 S 4.2735 8.1578 117.0248 58.7517 62.7356 174.1482 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 17 P 0.00 4.38 0.00 2.20 1.54 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 18 L 8.91 3.78 0.00 1.84 1.69 0.99 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.64 3.84 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 1.24 0.00 0.00 20 E 8.21 3.96 0.00 2.10 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 2.41 2.42 0.00 21 I 8.41 3.70 2.19 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.98 0.94 0.00 0.00 22 Q 8.12 3.97 0.00 2.38 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.73 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 23 V 8.19 3.62 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 1.00 0.00 0.00 1.03 0.00 0.00 24 E 8.58 4.08 0.00 2.27 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 2.35 2.42 0.00 25 S 8.19 4.18 0.00 4.13 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 26 Y 8.33 4.09 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 27 K 8.24 3.94 0.00 2.14 1.91 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.69 7.81 28 K 7.99 3.92 0.00 1.93 2.00 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.51 7.81 29 A 7.87 4.01 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.37 3.95 0.00 1.56 1.67 0.20 0.86 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 31 Q 8.38 3.47 0.00 2.39 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.53 0.00 32 A 8.34 4.17 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.09 4.85 0.00 2.67 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.15 4.34 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 0.76 0.00 0.00 0.92 0.00 0.00 35 P 0.00 4.32 0.00 2.59 2.19 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 36 P 0.00 4.08 0.00 2.08 1.99 0.00 3.53 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.89 0.00 37 E 8.18 3.89 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 38 K 7.74 4.19 0.00 1.92 1.89 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.38 7.81 39 R 7.80 4.03 0.00 1.94 1.89 0.00 2.96 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 40 E 8.55 4.17 0.00 1.97 1.89 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 2.32 2.34 0.00 41 N 8.54 4.33 0.00 2.70 2.80 0.00 0.00 6.66 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 42 V 8.42 4.35 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 0.96 0.00 0.00 0.93 0.00 0.00 43 G 7.73 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 I 7.14 3.00 1.65 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 0.21 0.34 0.06 0.00 0.00 45 Q 7.99 4.17 0.00 2.41 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.65 2.58 0.00 46 A 8.82 4.02 1.30 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 0.00 0.00 47 A 7.81 3.90 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 F 7.79 4.25 0.00 2.79 1.75 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 49 K 7.86 3.86 0.00 1.74 1.94 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.56 1.52 7.81 50 E 8.20 4.13 0.00 2.17 2.00 0.00 0.00 0.00 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 2.45 0.00 51 T 8.05 4.29 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 1.07 0.00 0.00 52 F 8.14 4.94 0.00 3.51 2.99 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 53 P 0.00 5.31 0.00 2.11 2.24 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.13 0.00 54 I 8.65 4.30 1.65 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.59 0.70 0.00 0.00 55 E 8.74 5.26 0.00 1.82 1.80 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 2.20 2.37 0.00 56 E 8.74 4.79 0.00 1.81 1.76 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 2.20 2.23 0.00 57 G 8.42 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *62 G 8.38 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.29 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 64 L 8.59 5.21 0.00 1.60 1.50 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 73 I 8.51 5.13 1.96 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.77 1.03 0.00 0.00 74 G 9.10 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 75 D 8.51 4.86 0.00 2.58 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 76 P 0.00 4.62 0.00 2.31 1.70 0.00 3.40 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 77 P 0.00 4.15 0.00 1.40 1.97 0.00 3.81 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 78 F 7.76 5.01 0.00 3.14 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 79 S 8.76 4.69 0.00 4.07 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 80 Q 8.38 3.53 0.00 1.86 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.91 0.00 0.00 0.00 0.00 0.00 1.64 1.16 0.00 81 D 8.03 4.28 0.00 2.68 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 82 E 7.75 4.18 0.00 2.35 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.30 0.00 83 C 8.35 4.08 0.00 3.10 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 84 R 7.74 3.94 0.00 1.76 1.96 0.00 3.11 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 85 E 8.45 4.12 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 86 K 8.31 4.35 0.00 1.48 1.67 0.00 1.82 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.56 1.47 7.81 87 D 7.93 4.36 0.00 2.74 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 88 L 7.82 4.78 0.00 1.36 1.37 -0.44 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.30 4.89 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 1.27 0.00 0.00 90 Y 8.91 4.78 0.00 3.11 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 91 Q 8.19 4.99 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.63 0.00 0.00 0.00 0.00 0.00 2.52 2.38 0.00 92 A 8.92 4.97 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 93 P 0.00 4.86 0.00 2.46 2.43 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.13 0.00 94 L 8.99 5.17 0.00 1.75 1.50 0.97 0.93 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 95 Y 9.11 5.12 0.00 3.10 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 96 A 9.10 4.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 9.43 4.45 0.00 1.55 1.64 0.00 2.88 0.00 0.00 2.97 7.11 0.00 0.00 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0.00 2.78 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 7.80 4.20 0.00 1.47 1.49 1.20 1.27 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 0.00 116 G 5.38 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.60 5.41 0.00 3.06 3.23 0.00 5.69 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.76 4.75 0.00 1.63 1.68 0.82 1.41 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 0.00 119 P 0.00 4.74 0.00 1.21 1.65 0.00 3.45 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.64 0.00 120 L 8.50 5.06 0.00 1.32 1.69 0.60 0.82 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 0.00 121 M 8.69 3.81 0.00 1.75 1.03 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 2.00 0.00 122 T 7.69 4.66 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 0.00 123 E 8.57 3.79 0.00 2.06 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 0.00 2.24 2.28 0.00 124 D 7.92 4.26 0.00 2.61 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 G 8.86 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 S 7.54 4.86 0.00 3.88 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 F 9.65 5.12 0.00 3.06 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 0.00 128 I 8.46 4.60 1.97 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 1.51 0.65 0.93 0.00 0.00 129 I 8.58 4.63 1.89 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 1.21 0.79 0.91 0.00 0.00 130 N 9.48 4.26 0.00 2.80 2.88 0.00 0.00 7.18 7.10 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 139 Q 8.63 4.19 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.62 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 *332 G 7.77 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 0.00 333 G 9.09 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 334 R 7.48 4.52 0.00 1.92 1.93 0.00 3.06 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 335 T 8.52 4.10 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 0.00 336 V 8.46 3.88 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 1.33 0.00 0.00 1.06 0.00 0.00 337 G 8.40 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 0.00 338 E 8.16 3.92 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.65 0.00 339 L 8.03 4.23 0.00 2.07 1.99 1.05 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 340 M 8.49 2.86 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.28 0.00 341 A 7.96 3.76 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 342 D 8.81 4.30 0.00 2.77 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 343 Q 7.82 3.96 0.00 1.92 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 344 F 8.07 3.84 0.00 3.05 2.99 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 0.00 345 R 7.74 3.78 0.00 1.94 1.92 0.00 3.14 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 346 V 7.43 3.68 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.88 0.00 0.00 347 G 7.74 3.35 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 0.00 348 L 8.18 3.80 0.00 1.57 1.52 0.84 1.19 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 0.00 349 A 8.46 3.95 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 0.00 350 R 7.66 3.87 0.00 1.85 1.93 0.00 3.25 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.71 0.00 351 L 7.63 3.89 0.00 1.64 1.78 1.01 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 352 A 7.90 3.83 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 353 R 7.61 3.88 0.00 2.17 1.95 0.00 3.12 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 354 G 7.72 3.89 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 0.00 0.00 0.00 355 V 7.88 4.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.93 0.00 0.00 356 R 8.00 3.81 0.00 2.00 2.10 0.00 3.21 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.85 0.00 357 E 9.34 4.14 0.00 1.86 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 358 R 7.44 4.41 0.00 2.06 1.96 0.00 3.11 0.00 0.00 3.38 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.82 0.00 359 M 7.92 4.34 0.00 2.00 2.24 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.54 0.00 360 V 6.83 4.15 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 0.78 0.00 0.00 0.96 0.00 0.00 361 M 7.86 4.13 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.63 0.00 362 G 7.73 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 0.00 363 S 8.26 4.57 0.00 4.02 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 364 P 0.00 4.21 0.00 2.24 2.20 0.00 3.62 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 365 D 8.26 4.40 0.00 2.67 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 0.00 366 T 7.81 4.46 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 0.00 367 L 7.89 4.22 0.00 1.86 1.67 0.97 0.71 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 0.00 368 T 8.14 4.82 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 1.24 0.00 0.00 369 P 0.00 4.25 0.00 2.34 2.41 0.00 3.75 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 2.11 2.21 0.00 370 A 8.03 4.00 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 0.00 371 K 7.52 4.08 0.00 1.93 1.92 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.51 7.81 372 L 8.31 4.23 0.00 1.73 1.75 0.95 1.03 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 0.00 373 V 7.38 4.32 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 0.81 0.00 0.00 1.12 0.00 0.00 374 N 8.63 4.92 0.00 2.71 2.68 0.00 0.00 7.23 7.63 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 0.00 375 S 8.53 4.41 0.00 3.94 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 0.00 376 R 7.52 4.12 0.00 1.98 2.03 0.00 3.15 0.00 0.00 3.27 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 377 P 0.00 4.20 0.00 2.08 2.04 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 378 L 7.76 3.70 0.00 1.50 1.65 -0.14 0.69 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 0.00 379 E 8.19 3.89 0.00 2.21 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 2.26 2.37 0.00 380 A 8.77 4.08 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 381 A 8.28 3.91 1.30 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 0.00 0.00 382 L 8.57 4.12 0.00 1.99 1.92 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 383 R 8.15 4.11 0.00 2.16 2.01 0.00 3.17 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 384 E 8.20 3.90 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 385 F 7.81 4.03 0.00 2.79 2.99 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 0.00 386 F 7.77 3.97 0.00 3.00 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 0.00 387 S 8.52 4.48 0.00 3.93 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 0.00 388 R 7.40 4.10 0.00 1.69 1.81 0.00 3.16 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 389 S 7.92 4.52 0.00 3.93 3.82 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 0.00 390 Q 8.37 4.55 0.00 2.04 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 7.02 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 391 L 8.62 4.59 0.00 1.55 1.62 0.92 0.90 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 0.00 392 S 8.16 4.27 0.00 4.02 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 * Residues marked with a * may have inaccurate shift predictions.