NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 4.0012 8.3549 109.7414 45.7515 0.0000 172.9040 5 S 4.3736 9.0184 114.0744 61.2088 63.6113 175.6446 6 R 3.5097 7.8490 120.2108 59.1962 31.7777 177.2188 7 R 3.6341 8.0210 117.3329 59.3075 29.7916 176.3251 8 Y 4.5012 8.2994 112.7224 57.5962 38.0145 174.7597 9 D 4.6136 7.8557 121.1460 53.5699 41.2979 176.6854 10 S 4.1217 8.7429 123.4991 59.6784 63.4246 174.1765 11 R 3.8147 8.6138 119.3990 57.0460 26.8790 177.3031 12 T 3.6667 7.8185 107.7296 63.9633 69.4559 175.5848 13 T 4.4990 7.1724 112.6882 61.2266 69.1680 174.0332 14 I 4.3518 7.6226 113.9714 60.1262 40.2782 174.5055 15 F 4.8875 8.3478 119.6277 56.5999 40.1153 176.2269 16 S 4.5740 8.5367 119.0942 56.5938 64.0281 173.5577 17 P 4.4136 0.0000 0.0000 65.4608 31.0738 177.2755 18 E 4.2689 8.1423 115.5356 55.7160 29.4750 175.9973 19 G 3.4786 8.3447 106.9843 46.9535 0.0000 174.0776 20 R 4.6108 7.9379 117.0331 53.9523 33.2565 175.8098 21 L 4.5399 7.8628 119.7234 53.7726 41.9570 177.1721 22 Y 3.6303 7.6581 120.0628 61.2884 37.9384 178.4110 23 Q 3.9587 8.0479 117.9454 59.2314 28.9430 179.4588 24 V 3.5825 7.6314 118.4687 66.0001 31.6540 177.6766 25 E 3.9443 8.0988 118.2834 59.8645 29.3253 179.0998 26 Y 4.4955 8.0360 116.5722 60.7801 37.8445 178.1038 27 A 4.0665 8.5435 122.4516 55.0281 18.4206 179.5491 28 L 3.9190 8.1741 117.6754 58.1120 41.5433 179.2710 29 E 3.9127 8.0063 117.7198 59.4194 29.8303 178.6679 30 S 4.3208 8.2320 113.1168 61.4603 62.5093 176.0617 31 I 3.7170 8.0808 123.2239 64.3858 36.6594 178.3260 32 S 4.2848 8.1057 113.7809 60.8039 62.6844 174.6262 33 H 4.6557 7.7288 117.3967 55.5380 29.2262 175.0104 34 A 4.3184 8.0621 123.5816 50.9632 19.1731 177.5301 35 G 4.0775 8.4880 106.7770 46.4056 0.0000 173.5096 36 T 4.3626 8.6069 119.7427 63.2627 69.8560 173.2829 37 A 5.2163 8.5254 126.2034 50.2334 22.1748 175.3564 38 I 4.6482 9.5511 122.4429 59.3780 41.5906 174.7956 39 G 4.4343 8.7366 111.9787 44.5226 0.0000 171.8333 40 I 4.6799 8.8734 126.0892 59.6659 40.7144 174.0570 41 M 4.6222 8.8296 127.0669 54.3787 33.2090 175.2068 42 A 4.8119 8.5282 131.4558 50.8517 21.7151 175.6238 43 S 4.4660 8.6139 109.1656 59.7780 63.8445 174.6597 44 D 4.8563 8.9013 118.2462 51.1983 39.5461 175.9363 45 G 4.0030 6.8065 107.9550 46.2430 0.0000 171.1532 46 I 5.0697 7.7430 118.5466 59.4165 41.0696 175.4056 47 V 4.4949 8.8185 125.0832 61.0560 34.3888 174.1811 48 L 5.3026 8.5955 126.2173 52.9543 44.5324 175.6822 49 A 4.8881 9.2891 124.8143 50.3061 22.7511 174.5414 50 A 4.9352 8.4388 120.7006 50.5460 22.7126 175.0316 51 E 4.5077 9.0811 122.2582 54.3018 31.5714 175.6703 52 R 4.0582 8.5717 126.7955 55.9491 30.6577 176.0563 53 K 4.0495 8.5812 124.6517 56.4588 33.0930 173.4758 54 V 3.1477 8.5876 129.8319 62.9991 31.6078 171.4543 55 T 4.7100 8.0966 114.7528 60.5542 71.9395 172.0061 56 S 4.6614 8.0391 114.6162 56.8633 65.6656 174.6086 57 T 3.9131 8.4736 119.3393 66.2430 68.1706 175.7067 58 L 4.3054 7.5308 118.4239 54.7669 42.2081 176.6785 59 L 3.8620 7.3207 122.1074 54.8206 42.1347 176.2446 60 E 4.1285 8.6149 127.3392 55.8415 28.8657 175.6511 61 Q 4.1211 8.5248 128.8564 58.7129 29.7893 177.6826 62 D 4.3573 8.3330 116.9967 57.7200 40.7875 177.4681 63 T 4.3571 7.7643 111.5338 63.3668 68.6948 174.5384 63A S 4.5925 7.6041 116.6219 57.8217 63.5220 173.8319 64 T 4.2432 7.9861 118.9583 63.0362 71.8802 173.4428 65 E 5.1544 8.3991 120.2433 55.9931 33.0142 175.5682 66 K 4.7045 7.8880 116.5090 55.5911 35.6943 175.4600 67 L 5.1265 7.6914 119.1450 53.0383 43.8467 175.6479 68 Y 4.7471 8.8338 121.3261 55.8451 42.1230 174.8930 69 K 4.4954 8.7911 124.3428 55.7180 33.0872 176.1625 70 L 4.3185 8.6437 126.3603 56.4496 42.5120 175.4632 71 N 4.9868 7.9062 113.7665 52.5668 41.7722 172.8999 72 D 4.7414 8.6825 115.9611 54.9877 41.5826 176.8775 73 K 4.7175 7.8982 116.7929 55.6191 35.1477 175.6011 74 I 5.2374 7.7675 120.3306 59.5206 41.0479 174.2394 75 A 5.1316 8.8893 125.7730 50.9063 23.3533 175.2706 76 V 4.9793 9.0032 111.2778 59.6073 36.6304 174.5779 77 A 5.3047 9.1018 124.7314 50.3155 21.3914 175.6762 78 V 4.7114 9.1332 122.8914 61.1491 33.9855 175.4083 79 A 4.3121 9.1315 128.0147 52.9428 21.3910 173.6340 80 G 3.7056 8.5630 113.4117 45.3513 0.0000 173.0983 81 L 4.1648 8.7906 126.9701 54.5896 41.8652 177.7216 82 T 3.8331 8.8511 121.3963 66.7378 68.3290 176.1603 83 A 3.9985 8.0231 121.9010 55.4371 18.2595 179.2527 84 D 4.4231 8.1161 116.5521 57.4649 40.9536 178.6626 85 A 3.9998 8.1378 121.4523 55.2489 18.2897 179.5317 86 E 3.7623 8.4659 117.4113 59.3574 29.3577 179.5455 87 I 3.6985 7.5300 119.9803 64.5703 37.1654 178.5029 88 L 3.8505 7.6023 119.5673 57.6452 41.3817 179.6418 89 I 3.5156 8.1096 120.2509 64.3086 37.1575 177.9771 90 N 4.3058 8.3069 118.2469 56.9069 38.7223 177.0270 91 T 3.8961 7.7791 110.8064 64.5162 68.8972 176.2977 92 A 3.9379 8.1065 123.8336 55.2699 18.5896 179.8357 93 R 3.9294 8.4056 116.7511 59.3869 29.9450 179.5206 94 I 3.7996 7.6199 119.4326 64.5523 37.2085 177.7394 95 H 4.2178 8.5644 119.1076 59.1252 29.4984 177.1247 96 A 3.9449 7.9388 122.1714 55.4271 18.2386 179.5849 97 Q 3.9777 7.9747 115.9277 59.1078 28.7229 179.0190 98 N 4.3024 8.5495 117.8106 56.4519 38.5612 176.5799 99 Y 3.9659 8.0910 120.8165 60.8110 38.8992 178.0129 100 L 4.3987 8.2979 122.6041 57.6486 41.9486 178.8517 101 K 4.0035 8.1097 118.8290 59.2581 32.1507 178.7991 102 T 3.7887 7.5701 115.6290 65.8945 68.5787 175.6740 103 Y 4.4909 7.4788 114.9629 56.3962 39.3862 175.2059 104 N 4.3968 8.2637 116.3525 53.6037 36.8832 173.9625 105 E 4.8354 7.7325 114.4318 54.8222 33.9990 175.2151 106 D 4.6103 8.5725 121.9432 54.1294 41.6093 176.1242 107 I 2.9237 8.0678 122.4281 59.5710 38.6671 174.6827 108 P 4.1819 0.0000 0.0000 62.3797 32.9736 177.3158 109 V 3.4907 8.2737 121.8199 66.3925 31.3510 178.2901 110 E 3.7702 7.9462 118.1853 59.1254 29.6328 178.3981 111 I 3.5604 7.5780 119.4451 64.4598 37.2786 177.9563 112 L 3.9677 7.4510 121.0441 58.0374 41.8853 179.2005 113 V 3.0200 7.3975 118.3059 65.6426 31.3239 178.0196 114 R 3.8154 8.5992 119.2090 59.1815 29.8846 178.3843 115 R 3.8115 7.8044 118.2110 59.5157 30.1711 178.3955 116 L 3.9679 7.7019 118.1466 58.0975 41.5670 179.8741 117 S 4.2376 8.2214 114.9265 61.6735 62.7561 176.5305 118 D 4.3820 8.2580 121.8158 57.1457 40.2749 178.8339 119 I 3.7893 7.5432 119.6237 64.3647 37.1432 178.1922 120 K 4.2258 8.0668 119.2374 59.7403 31.9384 179.1114 121 Q 4.1308 8.5956 120.1186 59.0584 28.8602 178.7216 122 G 3.6243 8.0980 106.7217 47.9935 0.0000 174.9252 123 Y 4.0125 7.8986 116.1520 59.5272 37.8474 177.5442 124 T 4.3127 7.7020 116.4233 64.0649 69.4760 174.9888 125 Q 4.4020 7.4687 119.4974 56.0673 30.5578 174.4371 126 H 4.5309 7.5853 109.8473 55.9418 30.2890 173.2934 127 G 3.8438 9.4522 108.5529 44.6275 0.0000 175.4794 128 G 4.3375 8.0637 105.8572 46.1590 0.0000 173.0807 129 L 4.7273 6.9604 118.2602 52.1161 43.9608 176.7788 130 R 4.1445 8.1491 116.8737 55.4212 30.1495 174.7348 131 P 4.5464 0.0000 0.0000 61.9893 32.2459 175.9152 132 F 4.3777 8.5603 118.9028 57.2568 40.0156 177.6303 133 G 4.0470 8.8228 115.7283 45.0462 0.0000 172.5318 134 V 4.8967 7.3034 118.7572 61.6603 35.7753 174.5457 135 S 4.6665 8.6773 121.8457 56.7103 66.4408 173.0207 136 F 5.3112 8.8046 122.0651 55.6853 42.0051 174.9441 137 I 4.5191 8.4482 122.4026 59.9465 39.6904 174.0474 138 Y 5.0548 8.9142 124.9838 56.4275 39.7075 175.1292 139 A 4.7001 9.2880 126.1769 50.3696 21.7644 175.1600 140 G 4.8840 8.5172 108.0363 45.9419 0.0000 170.5193 141 Y 5.0146 8.4056 119.8552 55.9175 41.7631 173.8965 142 D 4.6376 7.4044 123.5735 51.8870 42.3609 174.5417 143 D 4.5289 8.4866 117.9317 53.6234 39.2896 176.3628 144 R 4.0874 8.6393 126.3346 56.8816 30.1579 175.1957 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 4 G 8.35 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 9.02 4.37 0.00 4.04 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 6 R 7.85 3.51 0.00 1.85 1.87 0.00 3.17 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 7 R 8.02 3.63 0.00 1.50 1.11 0.00 2.21 0.00 0.00 2.91 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.35 0.00 8 Y 8.30 4.50 0.00 2.94 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 9 D 7.86 4.61 0.00 2.71 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.74 4.12 0.00 3.91 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 11 R 8.61 3.81 0.00 2.03 1.98 0.00 3.13 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 12 T 7.82 3.67 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 13 T 7.17 4.50 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 1.20 0.00 0.00 14 I 7.62 4.35 1.95 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 1.71 0.93 0.93 0.00 0.00 15 F 8.35 4.89 0.00 3.10 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 16 S 8.54 4.57 0.00 3.75 2.79 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 17 P 0.00 4.41 0.00 2.09 2.19 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 18 E 8.14 4.27 0.00 1.87 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 19 G 8.34 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.94 4.61 0.00 1.63 1.68 0.00 3.04 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 21 L 7.86 4.54 0.00 1.59 1.50 0.85 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.66 3.63 0.00 2.87 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 8.05 3.96 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.54 2.40 0.00 24 V 7.63 3.58 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.92 0.00 0.00 25 E 8.10 3.94 0.00 1.90 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 26 Y 8.04 4.50 0.00 3.01 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 27 A 8.54 4.07 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 28 L 8.17 3.92 0.00 1.95 1.76 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.01 3.91 0.00 2.06 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 30 S 8.23 4.32 0.00 3.99 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.08 3.72 1.98 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 1.54 0.68 0.93 0.00 0.00 32 S 8.11 4.28 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 33 H 7.73 4.66 0.00 3.32 3.36 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.06 4.32 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 35 G 8.49 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 36 T 8.61 4.36 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 1.21 0.00 0.00 37 A 8.53 5.22 1.18 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 38 I 9.55 4.65 1.88 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 1.17 0.78 0.92 0.00 0.00 39 G 8.74 4.43 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 0.00 40 I 8.87 4.68 1.88 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 1.12 1.09 0.92 0.00 0.00 41 M 8.83 4.62 0.00 2.04 1.99 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 2.54 2.56 0.00 42 A 8.53 4.81 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 43 S 8.61 4.47 0.00 4.00 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 44 D 8.90 4.86 0.00 2.77 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 45 G 6.81 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.74 5.07 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 0.76 0.94 0.00 0.00 47 V 8.82 4.49 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 1.07 0.00 0.00 0.94 0.00 0.00 48 L 8.60 5.30 0.00 1.52 1.53 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 49 A 9.29 4.89 1.18 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 50 A 8.44 4.94 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.08 4.51 0.00 2.02 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 2.22 2.26 0.00 52 R 8.57 4.06 0.00 1.84 1.94 0.00 3.24 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.60 0.00 53 K 8.58 4.05 0.00 1.72 1.70 0.00 2.05 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.42 7.81 54 V 8.59 3.15 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 0.84 0.00 0.00 0.93 0.00 0.00 55 T 8.10 4.71 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 1.21 0.00 0.00 56 S 8.04 4.66 0.00 3.81 3.69 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 57 T 8.47 3.91 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 1.21 0.00 0.00 58 L 7.53 4.31 0.00 1.64 1.70 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.32 3.86 0.00 1.54 1.68 0.92 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.61 4.13 0.00 1.95 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 2.29 2.35 0.00 61 Q 8.52 4.12 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.43 6.62 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 62 D 8.33 4.36 0.00 2.68 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 63 T 7.76 4.36 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 1.21 0.00 0.00 63A S 7.60 4.59 0.00 4.05 3.85 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 64 T 7.99 4.24 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 0.55 0.00 0.00 65 E 8.40 5.15 0.00 2.07 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 2.16 2.29 0.00 66 K 7.89 4.70 0.00 1.65 1.82 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.44 7.81 67 L 7.69 5.13 0.00 1.33 1.45 0.91 0.72 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 68 Y 8.83 4.75 0.00 2.87 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 69 K 8.79 4.50 0.00 1.74 1.76 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.46 7.81 70 L 8.64 4.32 0.00 1.83 1.69 0.89 0.89 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 71 N 7.91 4.99 0.00 2.63 2.79 0.00 0.00 7.26 7.83 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 72 D 8.68 4.74 0.00 2.72 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 73 K 7.90 4.72 0.00 1.72 2.05 0.00 1.68 0.00 0.00 2.12 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.47 7.81 74 I 7.77 5.24 1.89 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 1.29 1.06 0.97 0.00 0.00 75 A 8.89 5.13 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 76 V 9.00 4.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.94 0.00 0.00 77 A 9.10 5.30 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 78 V 9.13 4.71 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 0.67 0.00 0.00 1.22 0.00 0.00 79 A 9.13 4.31 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.56 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 81 L 8.79 4.16 0.00 1.64 1.63 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 82 T 8.85 3.83 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 1.31 0.00 0.00 83 A 8.02 4.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 8.12 4.42 0.00 2.94 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.14 4.00 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 86 E 8.47 3.76 0.00 2.09 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.43 0.00 87 I 7.53 3.70 2.17 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 1.79 1.81 1.03 0.00 0.00 88 L 7.60 3.85 0.00 1.84 1.64 0.57 0.19 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 89 I 8.11 3.52 1.82 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.46 0.80 0.00 0.00 90 N 8.31 4.31 0.00 2.81 2.79 0.00 0.00 7.02 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 91 T 7.78 3.90 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 92 A 8.11 3.94 1.36 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 0.00 0.00 93 R 8.41 3.93 0.00 1.97 2.01 0.00 3.12 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.87 0.00 94 I 7.62 3.80 2.07 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 1.42 0.85 0.94 0.00 0.00 95 H 8.56 4.22 0.00 3.22 3.46 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.94 3.94 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 97 Q 7.97 3.98 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.75 0.00 0.00 0.00 0.00 0.00 2.61 2.57 0.00 98 N 8.55 4.30 0.00 2.96 2.90 0.00 0.00 6.62 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 99 Y 8.09 3.97 0.00 3.19 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 0.00 100 L 8.30 4.40 0.00 1.89 1.90 1.02 0.57 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 0.00 101 K 8.11 4.00 0.00 1.84 1.89 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.44 7.81 102 T 7.57 3.79 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.48 4.49 0.00 2.55 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 0.00 104 N 8.26 4.40 0.00 2.88 2.91 0.00 0.00 6.73 7.01 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 0.00 105 E 7.73 4.84 0.00 2.15 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 106 D 8.57 4.61 0.00 2.71 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.07 2.92 1.58 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 -0.36 0.76 0.00 0.00 108 P 0.00 4.18 0.00 1.98 1.81 0.00 2.85 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.00 0.00 109 V 8.27 3.49 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 0.93 0.00 0.00 0.90 0.00 0.00 110 E 7.95 3.77 0.00 1.97 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 2.28 2.29 0.00 111 I 7.58 3.56 1.75 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.85 0.83 0.00 0.00 112 L 7.45 3.97 0.00 1.54 1.69 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.40 3.02 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 0.35 0.00 0.00 -0.10 0.00 0.00 114 R 8.60 3.82 0.00 1.86 1.99 0.00 3.14 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.60 0.00 115 R 7.80 3.81 0.00 2.04 2.06 0.00 3.14 0.00 0.00 3.02 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.61 0.00 116 L 7.70 3.97 0.00 1.74 1.75 0.74 0.69 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 0.00 117 S 8.22 4.24 0.00 4.03 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 0.00 118 D 8.26 4.38 0.00 3.00 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 0.00 119 I 7.54 3.79 1.98 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.71 0.97 0.00 0.00 120 K 8.07 4.23 0.00 2.06 1.95 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.43 1.50 7.81 121 Q 8.60 4.13 0.00 2.20 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 122 G 8.10 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 0.00 0.00 0.00 123 Y 7.90 4.01 0.00 3.20 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 T 7.70 4.31 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 1.15 0.00 0.00 125 Q 7.47 4.40 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.27 2.21 0.00 126 H 7.59 4.53 0.00 3.16 3.19 0.00 5.75 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 9.45 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 0.00 128 G 8.06 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 0.00 0.00 0.00 0.00 129 L 6.96 4.73 0.00 1.44 1.61 0.86 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.15 4.14 0.00 1.91 1.93 0.00 3.01 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 131 P 0.00 4.55 0.00 2.09 2.10 0.00 3.68 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 2.04 2.14 0.00 132 F 8.56 4.38 0.00 2.86 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 0.00 133 G 8.82 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 0.00 0.00 0.00 134 V 7.30 4.90 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.84 0.00 0.00 135 S 8.68 4.67 0.00 3.68 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 F 8.80 5.31 0.00 2.57 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 0.00 0.00 0.00 137 I 8.45 4.52 1.89 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 1.27 0.71 0.95 0.00 0.00 138 Y 8.91 5.05 0.00 2.77 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 0.00 139 A 9.29 4.70 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.52 4.88 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 0.00 0.00 0.00 141 Y 8.41 5.01 0.00 2.98 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 0.00 142 D 7.40 4.64 0.00 2.62 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 0.00 143 D 8.49 4.53 0.00 2.82 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 R 8.64 4.09 0.00 1.63 1.82 0.00 3.23 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.46 0.00