NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3372 8.3149 120.1151 55.7701 34.1415 174.9101 4 Q 4.7704 7.8892 117.7455 53.2955 31.6823 169.4458 5 V 4.6634 9.4904 123.2107 61.4432 34.4369 173.8623 6 E 4.8123 9.3068 127.8333 54.8540 31.6404 175.0231 7 I 4.9609 8.3067 125.0117 59.4151 41.1885 174.6140 8 F 5.3583 9.2894 124.2084 56.0480 42.4826 174.0343 9 T 5.3452 8.7463 113.4277 60.4064 71.9629 172.5963 10 D 4.8486 9.1270 120.8125 53.6057 45.1913 174.0967 11 G 4.6715 8.5755 108.6524 45.0673 0.0000 171.6234 12 S 5.1241 9.1260 114.5454 56.7994 66.3141 172.7158 13 A 5.1568 9.0627 126.0630 50.3908 21.9688 176.1229 14 L 4.3112 9.1603 119.4572 55.4658 42.4149 176.8411 15 G 4.0729 7.4270 106.3655 44.8588 0.0000 171.1949 16 N 5.1842 8.4597 114.9209 52.9201 38.3354 172.9809 17 P 4.9604 0.0000 0.0000 61.3880 34.6829 174.4954 18 G 4.0988 8.2853 106.6903 44.9121 0.0000 170.3289 19 P 4.9350 0.0000 0.0000 62.5864 32.6400 176.4327 20 G 4.3116 8.8756 109.6785 45.9970 0.0000 170.8772 21 G 4.6091 8.8634 106.2206 45.9313 0.0000 171.7989 22 Y 5.5963 8.2248 117.8221 55.0920 42.0667 174.8910 23 G 4.5702 9.4218 106.0210 44.8189 0.0000 171.6704 24 A 5.4786 9.5854 125.9976 50.3061 23.0674 174.7340 25 I 5.0674 9.1322 122.4820 59.4770 40.7543 174.5013 26 L 5.2659 9.2740 127.1477 52.9109 44.8039 175.4522 27 R 5.1539 9.5022 123.6771 54.7705 33.4443 173.4323 28 Y 4.9492 9.2570 126.8429 56.7638 42.7321 174.5814 29 R 3.4567 8.9421 126.4235 57.3830 28.3832 176.7643 30 G 3.9175 8.1469 102.3237 45.9005 0.0000 173.4609 31 R 4.7429 7.8545 118.5638 54.2721 32.9281 174.4971 32 E 5.3652 8.4365 117.9895 54.5873 33.3154 175.3000 33 K 4.6030 9.0913 122.7315 54.9376 35.9157 174.9443 34 T 5.1425 8.1754 121.7987 61.7512 71.7196 173.3076 35 F 4.9960 9.2510 123.7709 55.9248 42.9146 174.0265 36 S 4.9594 8.9958 115.5182 57.8576 65.3830 173.0694 37 A 4.4856 7.2684 126.5332 50.4315 22.8277 174.9148 38 G 4.3836 8.3798 106.6178 44.5392 0.0000 171.5195 39 Y 5.3325 9.1316 120.6621 55.9483 40.4589 177.1281 40 T 3.9509 8.8987 113.7666 64.6023 70.2816 174.1610 41 R 4.5053 7.8189 122.4344 55.9149 32.4844 173.5934 42 T 4.1579 8.4129 122.6505 61.6232 71.1352 172.0280 43 T 4.8591 8.0532 109.0320 59.0542 72.2989 174.3278 44 N 4.2933 8.7493 119.3653 56.7410 38.5146 177.3607 45 N 4.1512 7.9361 117.1461 56.3108 38.5234 177.5413 46 R 3.8819 7.9276 119.3846 59.5242 30.1620 179.0900 47 M 4.1461 8.1356 118.4914 58.3132 31.9156 178.6046 48 E 4.0615 8.5415 119.1855 59.3783 29.6767 179.2638 49 L 3.8867 8.0193 120.3466 58.2488 42.1422 178.5563 50 M 3.8476 8.4052 118.4185 58.4034 32.1014 177.9126 51 A 3.4948 7.9738 120.6860 55.0498 18.5819 179.5569 52 A 3.9467 7.6338 118.3478 55.0619 18.4563 179.5887 53 A 3.9084 7.9445 119.3047 55.4350 18.2699 179.8862 54 V 3.2825 7.6414 115.3103 66.1029 31.6151 177.7661 55 A 3.9035 7.8311 120.2993 55.1372 18.0954 179.6821 56 L 3.8445 7.9411 117.4068 57.7115 41.4354 179.4592 57 E 3.9872 8.0275 117.5398 58.6763 29.4086 178.4952 58 A 4.2340 7.2821 119.6138 52.4887 18.6120 177.2457 59 L 4.0953 7.1264 118.3811 54.3378 42.2366 178.2021 60 K 4.4955 9.5517 126.4333 52.6573 31.3235 175.0228 61 E 5.5042 7.8680 120.3797 55.0257 30.6182 177.4446 62 H 4.4399 8.3831 117.7159 56.2230 29.3483 174.3473 63 A 4.7679 8.7441 122.2869 50.3548 23.4577 174.4460 64 E 4.8192 8.6715 118.8415 55.2104 31.1661 175.5103 65 V 4.7444 8.9803 125.1045 60.9236 35.1627 174.2936 66 I 4.5443 8.4295 128.0302 59.5304 39.5383 174.2327 67 L 4.6031 8.2938 130.8464 53.1489 44.0132 174.7926 68 S 5.1680 8.7210 122.2531 56.8964 64.4518 172.6780 69 T 5.1202 8.9210 121.0305 60.7951 70.9983 173.4689 70 D 5.5041 8.8398 125.2852 52.7186 40.2681 176.7010 71 S 4.3143 8.3150 116.4016 58.4904 63.0187 174.3394 72 Q 3.8565 8.7739 130.6523 59.1827 28.9749 177.1817 73 Y 4.2581 8.0754 120.1923 60.8673 38.8998 178.1841 74 V 3.7128 8.1235 119.1710 65.9332 31.5721 177.7992 75 R 2.0000 7.5570 118.3250 58.9423 29.6475 178.5540 76 Q 3.1314 7.5598 118.0160 58.1499 28.2898 178.8680 77 G 2.7922 7.0558 106.5975 47.6381 0.0000 175.8785 78 I 3.5276 7.1778 121.7303 63.6827 37.1749 178.0916 79 T 4.1151 7.4054 108.9096 62.6962 69.1279 175.4689 80 Q 4.1506 7.4876 118.4419 56.3742 31.6274 177.1032 81 W 3.6552 7.0178 116.5667 58.6913 29.3897 178.4266 82 I 3.3358 7.0704 120.2104 64.7103 36.4693 178.2350 83 H 4.1063 7.7488 115.0251 58.5777 28.4569 177.2226 84 N 4.1970 7.2821 118.8179 55.7423 38.4399 177.2226 85 W 4.1631 7.7042 120.6116 59.5406 29.0969 178.7211 86 K 3.4383 7.6330 118.4626 59.1852 31.2291 179.5062 87 K 4.0022 7.4722 117.8549 58.8481 32.2919 178.5401 88 R 4.5297 7.6599 116.3561 54.8537 30.3028 176.6634 89 G 3.9705 8.3937 105.6611 46.7530 0.0000 173.9553 90 W 3.4950 8.2625 114.6867 57.3968 27.2882 174.6227 91 K 4.9146 7.5125 114.0313 54.5980 35.5524 177.0998 92 T 4.2401 8.3441 112.3900 60.6322 70.0753 175.3216 93 A 3.9511 8.3996 123.5724 54.8574 18.3748 177.9605 94 D 4.5617 7.9927 113.3141 53.1196 39.7318 177.0530 95 K 3.9464 8.1211 117.7719 57.0983 30.2777 176.1433 96 K 4.3003 7.9211 119.0695 54.8773 32.9060 174.6642 97 P 4.6737 0.0000 0.0000 62.7748 32.1000 176.5327 98 V 3.4194 8.4069 123.3757 62.6233 32.6590 175.1838 99 K 4.0873 8.3318 127.7072 57.2968 32.8500 176.0278 100 N 4.4731 9.0703 123.1386 54.4342 36.2452 176.6165 101 V 3.6661 7.7245 121.8171 64.9262 30.5358 177.1920 102 D 4.2366 8.0409 119.1788 56.6301 38.9697 178.7339 103 L 3.9842 7.7377 120.1221 56.7821 41.6773 179.2617 104 W 4.4805 8.3202 119.2233 60.0228 29.0283 178.6148 105 Q 3.7849 8.3383 118.4731 58.7013 28.1268 178.7382 106 R 3.8757 7.8609 119.9086 59.1996 30.0396 178.3857 107 L 4.0454 8.4103 120.6916 58.1724 42.0674 178.3335 108 D 4.5115 8.6463 117.9895 57.2826 40.9409 178.0450 109 A 4.0025 7.8949 120.0007 55.2713 18.7140 179.1211 110 A 4.1435 7.9294 118.9565 55.2659 18.4556 179.8510 111 L 4.2557 8.4989 118.6835 58.7844 40.3296 179.0457 112 G 3.9500 7.8912 103.3062 45.8773 0.0000 173.5873 113 Q 4.6091 8.0002 119.0569 56.0322 30.6640 174.6302 114 H 4.9791 8.0214 114.5756 53.9592 33.4299 172.8980 115 Q 4.5166 8.7948 118.6245 54.7814 30.0313 175.1332 116 I 4.6502 8.2719 125.0210 59.1076 40.0487 174.9607 117 K 4.3484 8.7185 129.1465 54.6418 33.7026 174.8934 118 W 4.4840 8.5940 127.8254 55.4579 30.5124 175.7008 119 E 4.1798 8.7887 125.2642 54.4919 30.7381 175.5956 120 W 5.4523 8.4049 126.1384 55.9599 28.8690 176.5914 121 V 4.1853 8.7138 118.6525 60.5447 32.4376 177.2616 122 K 4.4102 8.5775 121.3990 57.1310 33.4320 176.8675 123 G 4.1624 7.4406 104.0682 44.9748 0.0000 173.3496 124 H 4.4347 8.6131 118.0991 58.0465 29.1614 176.0567 125 A 4.1034 7.9585 122.6560 53.5906 18.3518 177.5554 126 G 3.9054 9.0810 110.8633 46.0598 0.0000 173.5128 127 H 4.9893 8.1579 116.3862 52.6221 29.1244 172.3318 128 P 4.2409 0.0000 0.0000 65.9622 31.4811 178.6221 129 E 3.7137 7.7725 117.7693 58.9518 29.2326 178.8325 130 N 4.4446 8.0055 116.2987 56.1822 38.6458 176.8444 131 E 3.5154 8.2193 120.8080 59.1573 29.6938 178.8677 132 R 3.8201 8.2264 118.7368 59.3545 30.0354 178.3894 133 A 4.0773 8.2462 120.8698 54.9763 18.2644 179.1109 134 D 4.3107 8.3321 116.7211 57.6220 41.3401 178.2732 135 E 3.9626 8.3801 119.1927 59.3686 29.4616 179.3426 136 L 3.9608 8.1175 118.6681 57.7632 41.7451 179.4131 137 A 4.0831 8.2441 120.7073 55.4225 18.2426 179.9176 138 R 3.8898 8.3203 116.5294 59.3322 29.8752 179.2147 139 A 3.9803 8.0285 119.6043 55.0855 18.7917 179.2881 140 A 4.0029 8.2187 119.1135 55.0895 18.1685 179.7386 141 A 4.0989 7.8078 118.7149 55.3965 18.4985 179.3825 142 M 4.2504 7.5985 116.2506 57.0280 33.4202 176.5560 143 N 5.0223 7.6096 115.1812 50.8408 39.3895 172.5977 144 P 4.3995 0.0000 0.0000 63.0054 32.5391 177.2517 145 T 4.4934 7.9841 107.7812 60.6472 70.5098 173.4926 146 L 4.5953 7.5732 121.8713 52.6887 44.3040 174.4766 147 E 4.8513 8.4290 120.8534 54.8149 31.1192 176.1226 148 D 4.7882 8.5855 126.3819 52.8266 39.8832 176.1660 149 T 3.9309 8.4081 120.8552 65.8213 68.8256 175.4031 150 G 3.9443 7.8509 106.5536 44.7794 0.0000 173.0646 151 Y 4.2027 7.9885 123.1621 57.3779 39.3206 174.3688 152 Q 4.0836 7.3407 126.7951 53.3638 32.1837 174.7987 153 V 3.4599 7.8562 123.2739 63.3230 32.1447 175.3480 154 E 4.0894 8.7294 124.5532 56.8076 30.4178 173.9998 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 3 K 8.31 4.34 0.00 1.79 1.98 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.42 7.81 4 Q 7.89 4.77 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.68 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 5 V 9.49 4.66 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 0.99 0.00 0.00 0.76 0.00 0.00 6 E 9.31 4.81 0.00 2.00 1.64 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 2.22 2.28 0.00 7 I 8.31 4.96 1.60 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 1.16 0.58 0.84 0.00 0.00 8 F 9.29 5.36 0.00 2.95 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 9 T 8.75 5.35 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 1.26 0.00 0.00 10 D 9.13 4.85 0.00 2.86 2.60 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 11 G 8.58 4.67 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 0.00 12 S 9.13 5.12 0.00 3.91 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 13 A 9.06 5.16 1.14 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 0.00 0.00 14 L 9.16 4.31 0.00 1.48 1.71 0.92 0.82 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 15 G 7.43 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.46 5.18 0.00 2.67 2.72 0.00 0.00 6.68 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.96 0.00 1.62 1.33 0.00 3.89 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 1.85 2.07 0.00 18 G 8.29 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.93 0.00 2.14 1.98 0.00 3.84 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 2.10 2.05 0.00 20 G 8.88 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.86 4.61 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 0.00 22 Y 8.22 5.60 0.00 3.24 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 9.42 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 9.59 5.48 1.41 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 25 I 9.13 5.07 2.11 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.81 1.01 0.00 0.00 26 L 9.27 5.27 0.00 1.64 1.62 1.05 0.65 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 27 R 9.50 5.15 0.00 1.95 1.89 0.00 3.48 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 28 Y 9.26 4.95 0.00 2.94 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 29 R 8.94 3.46 0.00 1.07 1.67 0.00 3.27 0.00 0.00 2.98 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.54 0.00 30 G 8.15 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 31 R 7.85 4.74 0.00 1.94 1.83 0.00 3.12 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 32 E 8.44 5.37 0.00 1.80 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 2.25 2.28 0.00 33 K 9.09 4.60 0.00 1.76 1.58 0.00 1.28 0.00 0.00 1.09 0.00 0.00 2.42 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.24 0.78 7.81 34 T 8.18 5.14 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 1.21 0.00 0.00 35 F 9.25 5.00 0.00 3.11 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 36 S 9.00 4.96 0.00 3.85 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 37 A 7.27 4.49 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.38 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 0.00 0.00 0.00 0.00 39 Y 9.13 5.33 0.00 2.89 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 40 T 8.90 3.95 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 1.23 0.00 0.00 41 R 7.82 4.51 0.00 1.79 1.84 0.00 3.29 0.00 0.00 3.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.55 0.00 42 T 8.41 4.16 4.16 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 1.19 0.00 0.00 43 T 8.05 4.86 4.16 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 1.09 0.00 0.00 44 N 8.75 4.29 0.00 2.71 3.10 0.00 0.00 6.82 6.92 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 45 N 7.94 4.15 0.00 2.29 1.51 0.00 0.00 7.10 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 46 R 7.93 3.88 0.00 1.92 1.89 0.00 3.43 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 47 M 8.14 4.15 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.81 0.00 48 E 8.54 4.06 0.00 2.27 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 2.42 2.52 0.00 49 L 8.02 3.89 0.00 1.90 1.46 -0.38 0.37 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 50 M 8.41 3.85 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.20 0.00 51 A 7.97 3.49 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 0.00 0.00 0.00 0.00 0.00 52 A 7.63 3.95 1.58 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 53 A 7.94 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 54 V 7.64 3.28 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 0.56 0.00 0.00 0.58 0.00 0.00 55 A 7.83 3.90 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.94 3.84 0.00 1.70 1.71 0.97 0.49 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 57 E 8.03 3.99 0.00 1.96 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 2.30 2.41 0.00 58 A 7.28 4.23 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 59 L 7.13 4.10 0.00 1.60 1.54 0.55 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.55 4.50 0.00 1.69 1.73 0.00 2.02 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.32 7.81 61 E 7.87 5.50 0.00 2.12 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 2.00 2.01 0.00 62 H 8.38 4.44 0.00 3.05 3.27 0.00 5.70 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.74 4.77 1.07 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 0.00 0.00 64 E 8.67 4.82 0.00 1.94 1.87 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 2.33 2.30 0.00 65 V 8.98 4.74 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 0.73 0.00 0.00 0.72 0.00 0.00 66 I 8.43 4.54 1.68 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.69 0.73 0.00 0.00 67 L 8.29 4.60 0.00 0.90 0.56 0.52 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.72 5.17 0.00 3.73 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.92 5.12 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 1.69 0.00 0.00 70 D 8.84 5.50 0.00 3.14 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 71 S 8.31 4.31 0.00 4.08 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.77 3.86 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 73 Y 8.08 4.26 0.00 3.21 3.18 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 74 V 8.12 3.71 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 1.20 0.00 0.00 1.04 0.00 0.00 75 R 7.56 2.00 0.00 0.74 1.37 0.00 2.51 0.00 0.00 2.51 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.50 0.00 76 Q 7.56 3.13 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 1.88 2.04 0.00 77 G 7.06 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 0.00 0.00 0.00 78 I 7.18 3.53 1.44 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 -0.36 0.55 0.00 0.00 79 T 7.41 4.12 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 80 Q 7.49 4.15 0.00 1.25 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.89 0.00 0.00 0.00 0.00 0.00 1.99 1.83 0.00 81 W 7.02 3.66 0.00 1.78 1.74 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 82 I 7.07 3.34 1.74 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 1.73 0.25 1.01 0.00 0.00 83 H 7.75 4.11 0.00 3.26 3.47 0.00 5.45 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.28 4.20 0.00 2.46 2.67 0.00 0.00 7.17 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 85 W 7.70 4.16 0.00 2.66 2.15 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 86 K 7.63 3.44 0.00 1.80 1.79 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.36 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.61 1.16 7.81 87 K 7.47 4.00 0.00 1.78 1.83 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.60 7.81 88 R 7.66 4.53 0.00 1.86 1.90 0.00 3.28 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 89 G 8.39 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 0.00 0.00 0.00 90 W 8.26 3.49 0.00 3.51 3.18 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 91 K 7.51 4.91 0.00 1.75 1.66 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.45 1.51 7.81 92 T 8.34 4.24 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 1.12 0.00 0.00 93 A 8.40 3.95 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 D 7.99 4.56 0.00 2.78 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 95 K 8.12 3.95 0.00 1.93 2.00 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.53 7.81 96 K 7.92 4.30 0.00 1.90 1.66 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.47 7.81 97 P 0.00 4.67 0.00 1.87 1.95 0.00 3.64 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 98 V 8.41 3.42 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 -0.14 0.00 0.00 99 K 8.33 4.09 0.00 1.80 1.78 0.00 2.01 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.50 7.81 100 N 9.07 4.47 0.00 3.20 2.87 0.00 0.00 6.88 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 0.00 101 V 7.72 3.67 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 0.91 0.00 0.00 0.60 0.00 0.00 102 D 8.04 4.24 0.00 2.82 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 0.00 103 L 7.74 3.98 0.00 1.63 1.53 0.83 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 104 W 8.32 4.48 0.00 3.45 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 0.00 105 Q 8.34 3.78 0.00 1.84 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.34 0.00 106 R 7.86 3.88 0.00 1.97 2.05 0.00 3.05 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 107 L 8.41 4.05 0.00 1.84 1.99 1.18 1.33 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 0.00 108 D 8.65 4.51 0.00 3.25 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 0.00 109 A 7.89 4.00 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 0.00 110 A 7.93 4.14 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 0.00 111 L 8.50 4.26 0.00 2.20 2.22 1.11 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.89 3.95 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 0.00 0.00 0.00 113 Q 8.00 4.61 0.00 1.87 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.55 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 114 H 8.02 4.98 0.00 2.96 3.23 0.00 5.64 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.79 4.52 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 116 I 8.27 4.65 1.64 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.52 -0.42 0.00 0.00 117 K 8.72 4.35 0.00 1.71 1.52 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.22 1.33 7.81 118 W 8.59 4.48 0.00 2.42 1.74 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 0.00 119 E 8.79 4.18 0.00 1.72 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 2.06 2.07 0.00 120 W 8.40 5.45 0.00 3.19 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.71 4.19 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 0.66 0.00 0.00 1.03 0.00 0.00 122 K 8.58 4.41 0.00 1.77 1.90 0.00 1.75 0.00 0.00 1.91 0.00 0.00 3.17 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.53 7.81 123 G 7.44 4.16 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 0.00 0.00 0.00 124 H 8.61 4.43 0.00 3.24 3.52 0.00 5.65 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.96 4.10 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 0.00 126 G 9.08 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 H 8.16 4.99 0.00 3.29 3.45 0.00 5.82 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.24 0.00 2.17 2.26 0.00 3.65 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 1.96 2.00 0.00 129 E 7.77 3.71 0.00 1.16 1.12 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 1.50 2.02 0.00 130 N 8.01 4.44 0.00 3.07 2.99 0.00 0.00 6.79 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 0.00 131 E 8.22 3.52 0.00 1.91 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 2.21 2.03 0.00 132 R 8.23 3.82 0.00 1.85 1.98 0.00 3.12 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 133 A 8.25 4.08 1.48 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 0.00 134 D 8.33 4.31 0.00 3.07 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 0.00 135 E 8.38 3.96 0.00 2.23 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 2.33 2.50 0.00 136 L 8.12 3.96 0.00 1.93 1.75 0.96 0.60 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 0.00 137 A 8.24 4.08 1.53 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 0.00 0.00 138 R 8.32 3.89 0.00 1.87 2.01 0.00 3.17 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 139 A 8.03 3.98 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 0.00 140 A 8.22 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 0.00 141 A 7.81 4.10 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 M 7.60 4.25 0.00 1.94 2.31 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 2.88 2.57 0.00 143 N 7.61 5.02 0.00 2.65 2.66 0.00 0.00 7.00 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 P 0.00 4.40 0.00 2.14 2.12 0.00 3.68 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 1.96 1.94 0.00 145 T 7.98 4.49 4.16 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 1.14 0.00 0.00 146 L 7.57 4.60 0.00 0.72 1.24 0.60 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.43 4.85 0.00 1.95 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 2.27 2.31 0.00 148 D 8.59 4.79 0.00 2.76 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 0.00 149 T 8.41 3.93 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 150 G 7.85 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 7.99 4.20 0.00 3.12 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 0.00 152 Q 7.34 4.08 0.00 1.76 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 153 V 7.86 3.46 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 0.95 0.00 0.00 0.92 0.00 0.00 154 E 8.73 4.09 0.00 2.11 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00