NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3926 8.3001 120.3523 55.1781 35.0238 178.5410 2 A 4.1535 7.5587 128.9322 50.3257 20.3652 175.4187 3 R 3.7058 8.3920 113.6975 56.6723 31.6367 174.3780 4 Y 4.0794 8.7603 116.9039 60.3099 38.8340 176.2020 5 G 3.9368 8.0792 104.2859 45.5072 0.0000 174.1464 6 A 4.5225 7.6409 125.2409 49.8114 17.7427 177.4716 7 T 3.4332 7.8185 111.8417 63.5160 69.1381 175.8779 8 S 3.9200 7.0326 116.4115 58.6958 62.4966 171.8109 9 T 4.4361 7.8679 121.0014 61.3559 70.4501 173.9751 10 N 5.0374 8.1016 118.2525 50.6572 42.6376 172.8396 11 P 4.4555 0.0000 0.0000 64.1112 31.4543 176.5188 12 A 4.5807 7.8401 121.1994 52.5338 19.2056 177.6450 13 K 4.9242 8.1779 116.4026 56.5658 34.4560 175.6549 14 S 5.3181 8.2976 112.7453 56.8614 66.3622 172.0709 15 A 4.9097 8.4142 121.8935 50.8923 22.9109 175.1311 16 S 5.0222 8.4131 113.0198 57.7229 67.3529 173.4825 17 A 4.6739 8.7467 121.9836 51.6106 22.8478 175.5327 18 R 4.8482 8.3959 116.9513 54.9322 34.4252 175.1376 19 G 4.2363 8.5387 108.9449 45.4541 0.0000 172.9379 20 S 3.8207 8.3952 114.6346 57.1852 64.9390 173.6360 21 Y 3.6296 7.7590 126.7221 59.0926 35.5199 170.2791 22 L 4.4723 7.3547 118.2959 53.7371 44.2164 177.7787 23 R 4.7187 7.8949 120.2189 55.1571 29.2401 177.0564 24 V 4.3084 6.5851 115.8581 61.1373 34.8842 174.0151 25 S 3.9611 8.2989 119.8994 57.0534 63.5232 174.7426 26 F 4.6818 9.0019 129.1351 60.8014 39.5965 177.6154 27 K 3.5968 8.0795 118.5104 58.7442 32.0451 177.5970 28 N 4.9266 7.9148 113.9818 54.5355 39.5947 176.8423 29 T 4.2585 7.4604 114.5550 64.9280 68.8588 177.1292 30 R 3.8472 7.5734 118.2965 59.1996 29.2248 178.7838 31 E 3.9035 7.9784 118.0488 59.3642 29.9887 178.8950 32 T 3.8312 7.6479 115.7879 66.4242 68.2534 176.6718 33 A 3.8577 7.7966 121.9064 55.0394 18.4950 179.0738 34 Q 3.9461 7.8325 115.9318 57.5673 29.2601 176.7756 35 A 4.3660 7.0215 119.1856 51.6050 19.6961 177.5453 36 I 3.7066 7.4787 112.7124 61.0535 37.6902 176.0549 37 N 4.3625 5.7700 126.9690 52.7097 40.9596 174.6538 38 G 3.2686 7.7529 110.5105 46.6110 0.0000 171.0091 39 W 3.8877 9.0263 128.3903 57.0786 28.7451 175.0362 40 E 4.6226 8.5417 122.1257 55.3074 31.5273 177.6837 41 L 4.0545 8.3229 119.3636 58.3915 41.7145 179.7663 42 T 3.8638 7.8579 112.6559 64.9253 67.2125 176.4006 43 K 3.7755 7.9181 119.3347 59.2069 31.8781 179.2061 44 A 4.3778 8.1187 121.0168 55.1979 18.3218 179.5051 45 Q 4.2197 8.3514 119.5362 58.3989 28.9694 177.7062 46 K 4.3915 7.5251 115.5758 56.5274 32.7270 177.3030 47 Y 4.0910 7.7404 122.6708 60.3987 39.1676 177.5621 48 L 4.1331 7.8355 119.9891 57.6822 41.3973 179.3566 49 E 4.1126 8.3501 118.8269 59.3761 29.3777 179.1897 50 Q 4.2060 7.8714 117.3666 58.3368 28.8284 178.4723 51 V 3.5285 7.3713 119.4854 65.6670 31.2640 177.7365 52 L 3.9945 7.3140 118.0164 58.2288 42.0148 178.5199 53 D 4.4956 7.4243 117.8710 57.3086 41.1356 175.3433 54 H 4.5486 7.5529 119.1879 57.1261 36.6146 174.4926 55 Q 4.4991 7.9483 119.5531 56.8815 30.3220 176.2247 56 R 4.2242 9.0388 116.5439 54.5024 26.7705 178.3833 57 A 3.5782 8.9453 127.9203 53.7074 19.8460 176.5894 58 I 4.8680 7.8870 114.8923 58.3985 41.1668 174.3358 59 P 4.2335 0.0000 0.0000 63.1886 31.6656 175.6342 60 F 4.6529 8.6586 119.9374 55.9436 41.0239 175.4675 61 R 4.2383 8.9518 125.4545 58.2835 30.3297 177.8617 62 R 4.5247 8.1518 113.4957 55.8721 32.2626 175.2482 63 F 4.9056 8.0775 121.5923 56.4967 37.6400 174.3209 64 N 4.8795 7.8317 116.5009 51.5519 38.2683 175.7358 65 S 4.0646 7.5024 112.7986 58.4791 63.4152 174.0081 66 S 3.8581 8.2078 117.4126 59.5069 62.5922 174.5732 67 I 3.3569 8.2425 125.5082 60.4835 38.4004 173.7036 68 G 4.1966 8.0245 116.6519 45.7221 0.0000 174.0428 69 R 4.7592 8.4537 123.1692 54.5071 33.1998 174.8846 70 T 4.7325 7.9438 109.4247 59.9135 72.2013 174.2660 71 A 4.3708 7.4293 122.6744 53.0286 23.6412 175.4377 72 Q 4.9224 8.6108 112.5616 55.1348 32.1003 175.7672 73 G 3.8658 8.4570 109.6762 43.6089 0.0000 172.6480 74 K 3.4586 9.6522 123.8106 57.8782 31.6510 175.8227 75 E 3.7290 8.9379 116.4163 58.4731 25.6440 176.3139 76 F 4.4515 8.0804 121.5854 55.7226 38.2963 175.1741 77 G 3.9324 8.6281 109.4046 44.6572 0.0000 170.3303 78 V 4.6245 7.1668 111.1965 60.3534 35.0804 175.8536 79 T 4.6760 8.2073 111.8237 64.7187 72.5262 174.6734 80 K 4.5759 7.7319 119.9950 54.2527 32.3219 175.6797 81 A 4.4282 8.1834 122.0749 52.4759 19.4127 177.4696 82 R 4.3804 8.3646 118.3999 54.8399 34.7146 175.2899 83 W 5.2746 7.2344 112.0455 54.6924 27.6272 173.2484 84 P 4.5341 0.0000 0.0000 62.8243 31.5978 176.9932 85 A 4.5935 8.5683 124.5406 51.9553 19.3838 178.1422 86 K 3.9806 7.9025 119.4957 59.5833 32.3998 178.5384 87 S 4.5713 8.1122 113.8230 60.2955 63.1007 176.5167 88 V 3.6974 7.2239 121.6570 65.7077 31.3445 177.8561 89 K 4.0489 7.9592 119.4145 59.3042 31.8849 178.6454 90 F 4.4222 7.9864 120.4423 61.4551 39.3923 177.2065 91 V 3.5684 7.7025 117.5576 65.3484 30.9993 178.0342 92 Q 4.1466 8.3288 118.4083 58.7672 28.3659 178.6669 93 G 3.7619 8.2291 106.6989 47.1981 0.0000 175.7578 94 L 3.9313 7.6198 122.7024 58.1372 42.1785 178.9635 95 L 4.0178 8.0351 119.2627 57.7222 41.2143 179.5212 96 Q 4.0167 8.1136 117.7324 59.2089 28.5509 178.1179 97 N 4.3631 7.8545 118.4360 56.4119 39.0220 176.8218 98 A 4.0061 8.1340 122.0604 54.6324 18.2677 178.7286 99 A 4.2945 8.0663 116.8315 53.1703 19.1855 178.2773 100 A 4.4642 7.2888 116.5103 53.1452 20.3765 178.5474 101 N 4.4634 8.2412 115.1360 55.1524 39.2333 175.6718 102 A 4.8323 7.7452 124.1550 51.1175 18.5017 177.1670 103 E 4.5797 7.8474 117.0406 56.5544 33.1791 174.6860 104 A 4.7087 7.5215 119.1648 52.4562 19.6049 177.8013 105 K 4.1010 8.2800 118.2238 60.3227 32.8409 178.4046 106 G 3.8426 8.0672 105.2504 45.9630 0.0000 176.0967 107 L 3.1048 8.2270 113.8620 53.1582 43.1286 177.5595 108 D 4.5687 9.4503 128.0485 53.5947 40.0142 173.3295 109 A 4.6361 8.2014 118.0282 52.6954 22.3087 177.4438 110 T 4.0894 7.8473 105.6893 63.2429 70.7750 178.4454 111 K 3.9642 8.1452 120.2369 53.5141 32.3063 178.3453 112 L 3.5786 9.3781 134.6327 54.7467 40.3349 171.0903 113 Y 4.3148 8.5674 119.0641 57.4175 39.1945 169.2901 114 V 3.8517 7.1905 128.1766 63.0208 31.1232 175.4234 115 S 4.8421 8.8648 123.9544 61.1354 63.5053 173.5825 116 H 4.9250 8.1426 117.5701 55.0864 33.5864 172.3216 117 I 4.9910 7.6885 123.3527 59.7356 41.2340 173.7373 118 Q 4.7293 8.9142 126.1347 54.6607 32.2742 173.6286 119 V 4.7630 8.4458 120.7741 60.0986 34.0677 174.4404 120 N 5.1234 8.9484 120.6383 51.3098 42.0478 173.8916 121 Q 3.4330 8.3983 123.1927 55.3567 29.2327 175.5424 122 A 4.2841 8.4132 129.1575 54.0018 20.4106 174.7072 123 P 4.8421 0.0000 0.0000 62.3533 34.4581 176.8369 124 K 4.6158 8.6703 113.0161 54.0323 34.7927 174.7959 125 Q 4.2457 8.2813 123.4477 55.9445 30.0200 175.4592 126 R 4.6189 8.2951 118.6607 54.6682 32.2240 174.5955 127 R 4.6679 8.4801 121.1494 55.3598 35.2594 173.6312 128 R 5.1363 8.4411 117.0294 55.1562 34.7575 175.0335 129 T 4.2520 8.4382 114.8507 60.2029 70.2827 172.9797 130 Y 4.2119 8.0170 126.3884 60.1740 38.5765 174.1898 131 R 4.6225 8.9185 122.3021 56.2734 35.6105 175.5879 132 A 4.5106 5.8000 116.0452 51.6373 22.6565 177.1198 133 H 4.3573 9.6316 120.5665 57.1400 26.0546 176.0291 134 G 3.9729 8.4962 104.7911 45.6368 0.0000 173.5939 135 R 4.6306 7.7589 118.9751 54.2247 31.8817 174.9471 136 I 4.7286 8.0869 121.7375 59.3035 41.1285 173.9152 137 N 4.9376 8.5892 127.2540 51.8330 41.4184 174.0584 138 K 4.5616 8.4425 121.3984 56.5852 33.4611 176.2897 139 Y 4.9465 8.7835 124.0490 56.0924 41.8310 173.6301 140 E 4.7271 9.0289 125.0465 55.1945 31.9566 175.8982 141 S 4.4868 7.9353 118.7942 56.6288 65.0412 173.5567 142 S 4.5484 8.6157 122.1324 57.8901 63.2167 172.0817 143 P 5.2100 0.0000 0.0000 61.8030 34.8355 172.8986 144 S 4.6227 8.5801 113.6625 58.2266 67.9889 173.8681 145 H 5.0377 8.5613 121.2839 55.0309 32.7999 172.8132 146 I 4.9859 8.1466 121.6193 60.3806 42.2714 172.9746 147 E 4.9653 8.7739 123.6971 54.8085 34.3454 174.3479 148 L 4.8707 8.7721 124.5195 53.7328 46.0399 175.1912 149 V 4.7820 8.2702 117.2181 60.1438 36.5044 174.1095 150 V 4.8081 8.5072 115.5729 60.4670 36.3704 174.4535 151 T 5.0849 8.3094 117.1892 62.0529 72.8436 173.9601 152 E 4.1438 8.6489 124.2548 56.7204 30.2427 177.4108 153 K 4.2542 8.0127 122.1460 56.5241 32.2708 176.0627 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.39 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 2 A 7.56 4.15 1.32 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 0.00 0.00 3 R 8.39 3.71 0.00 2.02 2.15 0.00 3.23 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 4 Y 8.76 4.08 0.00 2.91 3.03 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 5 G 8.08 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 6 A 7.64 4.52 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 7 T 7.82 3.43 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 8 S 7.03 3.92 0.00 3.73 3.67 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 9 T 7.87 4.44 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 1.27 0.00 0.00 10 N 8.10 5.04 0.00 2.70 2.64 0.00 0.00 6.67 7.71 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 11 P 0.00 4.46 0.00 2.24 2.19 0.00 3.81 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 12 A 7.84 4.58 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 13 K 8.18 4.92 0.00 1.70 1.76 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.39 7.81 14 S 8.30 5.32 0.00 4.07 3.73 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 15 A 8.41 4.91 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 16 S 8.41 5.02 0.00 3.71 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 17 A 8.75 4.67 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 18 R 8.40 4.85 0.00 1.65 1.95 0.00 3.20 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 19 G 8.54 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 0.00 0.00 0.00 0.00 20 S 8.40 3.82 0.00 3.72 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 21 Y 7.76 3.63 0.00 3.15 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 22 L 7.35 4.47 0.00 1.03 1.16 1.02 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.89 4.72 0.00 1.71 1.82 0.00 3.26 0.00 0.00 3.11 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 24 V 6.59 4.31 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 1.00 0.00 0.00 0.75 0.00 0.00 25 S 8.30 3.96 0.00 3.97 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 26 F 9.00 4.68 0.00 3.13 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 27 K 8.08 3.60 0.00 1.52 0.90 0.00 1.52 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.09 1.36 7.81 28 N 7.91 4.93 0.00 3.00 3.08 0.00 0.00 6.96 6.93 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 29 T 7.46 4.26 4.48 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 1.07 0.00 0.00 30 R 7.57 3.85 0.00 1.88 1.96 0.00 2.39 0.00 0.00 2.92 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.50 0.00 31 E 7.98 3.90 0.00 2.14 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 2.39 2.76 0.00 32 T 7.65 3.83 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 1.16 0.00 0.00 33 A 7.80 3.86 1.24 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 0.00 0.00 34 Q 7.83 3.95 0.00 1.96 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 35 A 7.02 4.37 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 0.00 0.00 0.00 0.00 0.00 36 I 7.48 3.71 1.75 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.42 0.89 0.00 0.00 37 N 5.77 4.36 0.00 2.25 2.41 0.00 0.00 6.66 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 38 G 7.75 3.27 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 0.00 39 W 9.03 3.89 0.00 3.37 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 40 E 8.54 4.62 0.00 2.08 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 2.41 2.50 0.00 41 L 8.32 4.05 0.00 1.70 1.73 0.93 0.54 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 42 T 7.86 3.86 4.23 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 1.22 0.00 0.00 43 K 7.92 3.78 0.00 1.89 1.16 0.00 1.33 0.00 0.00 1.26 0.00 0.00 2.24 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.19 7.81 44 A 8.12 4.38 1.50 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 0.00 0.00 45 Q 8.35 4.22 0.00 2.27 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 46 K 7.53 4.39 0.00 1.87 1.76 0.00 1.62 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.55 7.81 47 Y 7.74 4.09 0.00 3.29 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 48 L 7.84 4.13 0.00 2.02 1.76 1.03 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.35 4.11 0.00 2.00 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 2.33 2.52 0.00 50 Q 7.87 4.21 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 51 V 7.37 3.53 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 1.08 0.00 0.00 0.87 0.00 0.00 52 L 7.31 3.99 0.00 1.76 1.83 0.94 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 53 D 7.42 4.50 0.00 2.89 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 54 H 7.55 4.55 0.00 3.24 3.18 0.00 5.77 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 55 Q 7.95 4.50 0.00 1.97 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 5.60 0.00 0.00 0.00 0.00 0.00 2.02 2.24 0.00 56 R 9.04 4.22 0.00 2.10 2.25 0.00 3.57 0.00 0.00 3.28 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 57 A 8.95 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 58 I 7.89 4.87 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 1.21 0.88 0.68 0.00 0.00 59 P 0.00 4.23 0.00 1.97 2.02 0.00 3.52 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 1.99 2.20 0.00 60 F 8.66 4.65 0.00 3.16 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.95 4.24 0.00 1.83 1.99 0.00 3.07 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 62 R 8.15 4.52 0.00 1.72 2.10 0.00 3.29 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 63 F 8.08 4.91 0.00 2.85 3.10 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 64 N 7.83 4.88 0.00 2.78 2.85 0.00 0.00 6.36 7.64 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 65 S 7.50 4.06 0.00 3.86 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.21 3.86 0.00 3.79 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 67 I 8.24 3.36 1.86 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 1.27 0.62 0.83 0.00 0.00 68 G 8.02 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 69 R 8.45 4.76 0.00 1.75 1.81 0.00 3.23 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 70 T 7.94 4.73 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 1.26 0.00 0.00 71 A 7.43 4.37 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 72 Q 8.61 4.92 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.61 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 73 G 8.46 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 9.65 3.46 0.00 2.00 1.61 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.72 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.60 7.81 75 E 8.94 3.73 0.00 2.23 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 76 F 8.08 4.45 0.00 2.90 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 77 G 8.63 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 0.00 0.00 0.00 78 V 7.17 4.62 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 0.88 0.00 0.00 1.09 0.00 0.00 79 T 8.21 4.68 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 1.24 0.00 0.00 80 K 7.73 4.58 0.00 1.67 1.62 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.43 7.81 81 A 8.18 4.43 1.56 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 0.00 0.00 82 R 8.36 4.38 0.00 1.18 1.15 0.00 2.53 0.00 0.00 2.72 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.98 0.00 83 W 7.23 5.27 0.00 3.36 3.32 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 84 P 0.00 4.53 0.00 2.36 2.29 0.00 3.95 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.17 0.00 85 A 8.57 4.59 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 86 K 7.90 3.98 0.00 1.95 1.89 0.00 1.63 0.00 0.00 1.86 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.63 7.81 87 S 8.11 4.57 0.00 4.04 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 7.22 3.70 2.31 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 1.07 0.00 0.00 1.07 0.00 0.00 89 K 7.96 4.05 0.00 1.92 1.87 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.50 7.81 90 F 7.99 4.42 0.00 3.20 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 V 7.70 3.57 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.79 0.00 0.00 92 Q 8.33 4.15 0.00 2.36 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 93 G 8.23 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 0.00 0.00 0.00 94 L 7.62 3.93 0.00 1.70 1.63 0.68 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.04 4.02 0.00 1.74 1.70 0.98 0.78 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 96 Q 8.11 4.02 0.00 2.32 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.62 2.38 0.00 97 N 7.85 4.36 0.00 2.93 3.01 0.00 0.00 7.06 8.23 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 98 A 8.13 4.01 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 99 A 8.07 4.29 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 0.00 100 A 7.29 4.46 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 101 N 8.24 4.46 0.00 2.77 2.88 0.00 0.00 6.67 7.67 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 0.00 102 A 7.75 4.83 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 0.00 103 E 7.85 4.58 0.00 2.07 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 2.19 2.37 0.00 104 A 7.52 4.71 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 0.00 105 K 8.28 4.10 0.00 1.89 2.12 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.39 7.81 106 G 8.07 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 0.00 107 L 8.23 3.10 0.00 1.72 1.38 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 108 D 9.45 4.57 0.00 2.94 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 0.00 109 A 8.20 4.64 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 0.00 110 T 7.85 4.09 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 0.00 111 K 8.15 3.96 0.00 1.86 1.45 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.52 1.54 7.81 112 L 9.38 3.58 0.00 2.03 1.77 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 8.57 4.31 0.00 3.16 3.21 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 0.00 114 V 7.19 3.85 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 0.61 0.00 0.00 0.85 0.00 0.00 115 S 8.86 4.84 0.00 4.18 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.14 4.92 0.00 3.37 2.91 0.00 5.63 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 7.69 4.99 1.72 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 1.26 0.96 0.78 0.00 0.00 118 Q 8.91 4.73 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.54 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 119 V 8.45 4.76 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 0.80 0.00 0.00 1.21 0.00 0.00 120 N 8.95 5.12 0.00 2.57 2.62 0.00 0.00 6.46 6.83 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 0.00 121 Q 8.40 3.43 0.00 1.20 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.05 0.00 0.00 0.00 0.00 0.00 2.01 1.58 0.00 122 A 8.41 4.28 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 0.00 123 P 0.00 4.84 0.00 2.08 1.11 0.00 3.69 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 1.85 1.98 0.00 124 K 8.67 4.62 0.00 1.53 1.65 0.00 1.51 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.39 1.45 7.81 125 Q 8.28 4.25 0.00 2.14 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 126 R 8.30 4.62 0.00 1.70 1.81 0.00 3.00 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.58 0.00 127 R 8.48 4.67 0.00 1.56 1.85 0.00 2.96 0.00 0.00 2.84 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.47 0.00 128 R 8.44 5.14 0.00 1.45 1.63 0.00 3.12 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 129 T 8.44 4.25 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 1.25 0.00 0.00 130 Y 8.02 4.21 0.00 2.98 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 0.00 131 R 8.92 4.62 0.00 1.73 1.62 0.00 3.18 0.00 0.00 3.24 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 132 A 5.80 4.51 1.28 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 0.00 0.00 0.00 133 H 9.63 4.36 0.00 3.31 3.41 0.00 5.95 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 0.00 134 G 8.50 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 0.00 135 R 7.76 4.63 0.00 2.06 1.86 0.00 3.09 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 136 I 8.09 4.73 1.90 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 1.12 0.88 0.90 0.00 0.00 137 N 8.59 4.94 0.00 2.92 2.64 0.00 0.00 6.96 6.57 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 0.00 138 K 8.44 4.56 0.00 1.69 1.74 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.50 7.81 139 Y 8.78 4.95 0.00 2.84 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 E 9.03 4.73 0.00 1.94 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 2.26 2.35 0.00 141 S 7.94 4.49 0.00 3.48 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 0.00 142 S 8.62 4.55 0.00 3.79 3.86 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 0.00 143 P 0.00 5.21 0.00 1.95 1.91 0.00 3.86 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 1.96 1.98 0.00 144 S 8.58 4.62 0.00 4.19 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 0.00 145 H 8.56 5.04 0.00 2.94 3.05 0.00 5.62 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 I 8.15 4.99 1.82 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.10 0.70 0.00 0.00 147 E 8.77 4.97 0.00 1.89 1.70 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 2.23 2.37 0.00 148 L 8.77 4.87 0.00 1.60 1.48 0.81 0.60 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 0.00 149 V 8.27 4.78 1.49 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 0.49 0.00 0.00 -0.06 0.00 0.00 150 V 8.51 4.81 2.12 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 0.88 0.00 0.00 1.02 0.00 0.00 151 T 8.31 5.08 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 152 E 8.65 4.14 0.00 1.92 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 2.38 2.49 0.00 153 K 8.01 4.25 0.00 1.84 1.65 0.00 1.60 0.00 0.00 1.94 0.00 0.00 2.44 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.18 1.28 7.81