NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 D 4.5949 8.3493 120.1917 53.6234 43.5034 175.0137 20 P 4.4806 0.0000 0.0000 62.5048 33.2189 174.0784 21 K 5.0011 9.1778 122.1434 54.5156 37.3715 176.0614 22 R 5.0788 9.0792 117.3853 53.6187 32.6779 174.9425 23 L 5.1022 8.6544 121.9237 53.4904 43.4865 174.6148 24 Y 4.6224 9.0967 127.1977 56.9975 40.2519 173.7342 25 C 4.2682 8.7393 128.1027 57.9442 32.5487 174.3405 26 K 3.8200 8.4964 127.9392 59.0101 32.3199 177.2565 27 N 4.4539 7.5188 119.4488 50.5027 36.9386 173.9800 28 G 3.9250 8.1840 108.9588 43.8579 0.0000 171.4319 29 G 2.8462 7.1212 106.6402 46.2724 0.0000 173.4629 30 F 4.5360 7.4255 116.8187 55.8941 41.4786 175.2978 31 F 5.2296 9.1767 121.1671 56.0813 41.0489 175.1628 32 L 4.5472 8.9978 125.7346 55.2574 43.2552 175.4825 33 R 4.8605 9.4743 126.6691 54.5386 33.1451 174.1271 34 I 4.6235 8.3639 126.8073 59.8785 39.1508 175.3831 35 H 4.3975 9.1939 125.3526 54.2403 29.5492 175.1378 36 P 4.1795 0.0000 0.0000 65.3808 31.2202 177.0964 37 D 4.5588 8.0046 115.2203 53.2385 39.8811 177.0990 38 G 4.0262 8.3965 109.8142 45.4834 0.0000 174.1327 39 R 4.3875 8.1435 119.4471 55.7598 30.8356 175.6338 40 V 4.9543 8.0602 120.2770 61.2894 34.5543 174.5612 41 D 4.6939 8.5186 124.8723 52.9940 42.5187 174.0434 42 G 4.6798 8.7200 105.1381 45.1438 0.0000 172.8091 43 V 5.0497 8.9283 119.7077 60.4123 34.7739 176.0460 44 R 4.3921 8.9323 120.1862 57.2252 31.1105 176.6069 45 E 4.2799 8.2311 119.0347 55.5357 29.4011 177.6466 46 K 3.8133 8.7383 124.2216 58.7164 32.8752 177.9106 47 S 4.2961 7.8464 112.9107 58.9167 63.8120 173.8714 48 D 4.3832 7.8703 122.9755 53.7739 41.2475 175.2760 49 P 4.2940 0.0000 0.0000 65.5526 31.8214 176.6037 50 H 4.6831 8.8058 116.2904 55.7753 28.8870 176.0510 51 I 4.4935 7.1812 111.0029 59.7563 38.3468 175.0184 52 K 4.3052 7.7174 122.4294 56.1383 32.9441 175.7865 53 L 5.2540 9.1852 125.4219 52.9155 45.6082 175.5322 54 Q 4.7937 9.0229 120.5502 54.2853 31.2314 174.8154 55 L 4.9416 8.6244 124.9007 53.6017 42.7923 175.7084 56 Q 4.7222 8.6566 123.8859 54.0372 30.7622 175.5886 57 A 4.7474 8.7117 125.6905 52.4463 19.6174 175.3509 58 E 4.2895 9.1176 119.9287 56.2317 29.8815 179.0362 59 E 4.1647 6.6980 117.7169 54.8815 30.7553 174.5823 60 R 4.0266 8.4220 122.1886 58.3153 30.2935 176.6689 61 G 4.0637 9.2643 112.6673 45.3165 0.0000 172.0448 62 V 5.0423 7.9613 119.7216 61.1304 34.4550 174.8704 63 V 5.3811 9.4916 119.6345 59.9348 36.7399 174.2071 64 S 5.3491 8.8804 115.9115 55.9278 66.3705 173.2331 65 I 4.6720 8.3445 121.3643 59.6304 40.1227 174.0717 66 K 4.5822 9.0230 129.5006 54.2223 34.8876 175.1813 67 G 3.9780 8.8118 115.3019 45.4881 0.0000 174.5750 68 V 3.5759 8.4465 126.8793 66.0518 31.8436 177.3600 69 S 4.1926 8.0203 112.2875 61.0256 62.4790 174.9548 70 A 4.0060 7.9466 121.6573 52.9888 18.4495 176.3609 71 N 4.0769 8.1744 113.2406 54.8111 37.9866 173.6747 72 R 4.8299 7.3276 112.9537 54.4897 35.4852 174.1522 73 Y 5.0099 8.9347 118.9735 55.8424 40.6082 175.2621 74 L 4.5741 9.1986 126.4555 55.3888 43.5257 175.5967 75 A 5.2145 9.4966 126.9879 50.4689 22.9807 174.1306 76 M 5.1581 8.7538 120.8396 53.8715 34.1847 176.1546 77 K 4.7248 9.1796 126.2921 54.9879 33.6081 177.6819 78 E 2.8855 8.6127 118.1423 58.3679 29.4090 177.3951 79 D 4.6888 8.1740 117.2445 52.9151 39.9728 177.1314 80 G 3.5852 8.2988 109.7402 45.0369 0.0000 174.0459 81 R 4.5305 7.9051 118.7138 56.1666 31.4565 175.1920 82 L 5.0679 6.9599 123.9760 53.1924 44.1069 175.3524 83 L 4.6652 8.6306 124.6769 54.9318 45.0185 173.5864 84 A 5.1912 8.8836 120.5610 50.2326 21.6640 175.3233 85 S 4.7958 9.1817 118.1415 56.8078 63.9614 175.5809 86 K 4.3794 8.9023 125.2517 58.2924 32.2701 177.2683 87 S 4.8192 7.5705 111.8144 55.9580 65.5532 173.5249 88 V 3.5534 7.9061 121.6063 62.1729 31.9937 175.1717 89 T 4.7722 7.8231 116.1727 59.3934 71.8524 173.9427 90 D 4.5653 8.6490 119.7913 55.8601 39.4518 176.7908 91 E 4.1909 8.0806 118.5412 57.0151 29.4530 176.8984 92 C 4.7922 7.8255 116.0991 58.6488 28.8044 172.5781 93 F 5.0004 7.2082 119.3657 55.6167 41.3196 174.6101 94 F 5.1672 9.1676 121.0410 55.5131 43.4241 174.1335 95 F 4.9127 9.5322 122.1284 57.3961 40.0008 174.0148 96 E 4.7930 9.4157 126.2423 54.7263 30.7692 175.0430 97 R 4.6422 8.6016 127.0013 54.3577 33.6948 173.9437 98 L 4.8136 8.5275 128.1381 53.8833 42.5894 176.0824 99 E 4.3850 9.1910 127.2513 55.5514 30.3541 178.3787 100 S 4.1229 8.6761 116.1314 61.5911 62.8181 175.4133 101 N 4.7186 8.1885 115.0393 52.4329 37.3335 174.8427 102 N 4.3424 8.3356 114.4514 54.5443 36.6436 173.3501 103 Y 4.6829 8.1442 115.7968 56.6028 41.0459 174.6733 104 N 5.5687 9.6892 119.2738 52.2875 41.4860 174.2725 105 T 5.3097 8.5231 110.3958 60.3049 72.9715 172.6858 106 Y 5.2109 8.8651 119.2192 56.6513 41.5890 173.9793 107 R 4.9458 8.9189 125.7731 54.0133 32.4655 175.2304 108 S 4.1385 9.2284 122.1133 58.7545 62.8311 175.0329 109 R 3.6130 8.2597 127.8999 59.0617 29.9215 177.7823 110 K 3.7553 7.7842 119.1307 58.6053 32.6668 176.7724 111 Y 4.3401 7.2597 119.6658 55.6114 36.6959 176.2951 112 T 4.1699 7.8023 112.2263 62.9898 69.0883 175.8616 113 S 4.6409 7.6374 116.1500 58.1128 63.9178 173.3813 114 W 5.3204 8.0195 121.6195 55.2880 31.3349 174.7312 115 Y 5.4640 8.8737 120.8452 56.0128 40.5694 175.7724 116 V 4.0525 8.9766 122.5340 63.2435 32.2721 175.1991 117 A 5.1648 8.5700 126.9089 51.1329 22.5942 174.7159 118 L 5.0588 8.3631 119.3042 52.8555 45.2079 177.1612 119 K 4.2946 8.9004 122.5616 55.3453 33.0413 178.1845 120 R 4.4658 8.3485 115.9624 58.0199 29.4159 177.3564 121 T 4.1252 7.6258 108.1913 62.1726 69.6391 175.6891 122 G 2.6128 7.5501 111.3956 44.3920 0.0000 173.0857 123 Q 4.6382 7.1944 119.2857 54.8088 30.4400 175.2704 124 Y 4.6795 8.2839 119.9815 56.9875 39.3560 174.4370 125 K 4.4752 8.7214 122.4593 54.3762 33.9027 176.2634 126 L 4.2506 8.6510 126.9443 55.1630 42.4892 178.3188 127 G 3.6232 8.9484 113.1316 48.7082 0.0000 175.5303 128 S 3.0619 6.8221 112.2056 59.2970 63.0369 174.6447 129 K 4.3566 7.6438 119.6576 56.2799 32.4213 176.1313 130 T 4.9548 6.7346 108.9114 59.5957 70.5096 173.8574 131 G 4.1472 7.8320 109.5573 44.5469 0.0000 171.0744 132 P 4.0515 0.0000 0.0000 63.8881 31.6739 177.4309 133 G 3.9398 8.8097 110.1460 45.2208 0.0000 173.5796 134 Q 4.2948 7.4455 119.6415 54.8703 29.8715 177.3927 135 K 3.9113 8.4843 120.7861 59.1075 32.7058 179.1869 136 A 4.0017 7.9940 121.8015 54.6215 18.2810 178.4126 137 I 4.4973 7.0342 105.6354 61.1117 38.3943 175.3653 138 L 4.7876 7.5191 123.2323 53.9169 42.9815 175.7381 139 F 5.4918 9.8036 122.2536 55.6322 43.8549 174.0166 140 L 4.9639 9.4614 123.8400 52.6599 44.1236 173.7167 141 P 5.1156 0.0000 0.0000 62.9603 32.0147 176.0077 142 M 4.9911 9.4228 123.5224 53.2767 36.2032 175.4625 143 S 4.6519 8.7364 116.2300 58.5678 64.1994 174.3086 144 A 4.3265 7.9358 121.5765 52.1605 18.6022 176.1846 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 19 D 8.35 4.59 0.00 2.66 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.48 0.00 2.20 2.14 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 21 K 9.18 5.00 0.00 1.63 1.84 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.53 7.81 22 R 9.08 5.08 0.00 1.82 1.99 0.00 2.43 0.00 0.00 3.04 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 23 L 8.65 5.10 0.00 1.63 1.75 0.18 0.87 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 24 Y 9.10 4.62 0.00 3.21 3.11 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 0.00 25 C 8.74 4.27 0.00 2.67 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.50 3.82 0.00 1.40 1.65 0.00 0.91 0.00 0.00 1.24 0.00 0.00 2.50 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.25 1.21 7.81 27 N 7.52 4.45 0.00 2.67 2.72 0.00 0.00 7.25 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.18 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 29 G 7.12 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 0.00 0.00 0.00 30 F 7.43 4.54 0.00 2.92 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 31 F 9.18 5.23 0.00 3.15 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 32 L 9.00 4.55 0.00 1.87 1.54 0.92 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 33 R 9.47 4.86 0.00 1.90 2.07 0.00 2.99 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.69 0.00 34 I 8.36 4.62 1.81 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 1.16 0.72 0.85 0.00 0.00 35 H 9.19 4.40 0.00 3.30 3.14 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.18 0.00 2.01 2.11 0.00 3.56 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 37 D 8.00 4.56 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 38 G 8.40 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 39 R 8.14 4.39 0.00 1.95 1.85 0.00 3.28 0.00 0.00 3.02 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 40 V 8.06 4.95 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 0.80 0.00 0.00 0.84 0.00 0.00 41 D 8.52 4.69 0.00 2.97 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 42 G 8.72 4.68 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 43 V 8.93 5.05 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 0.93 0.00 0.00 1.09 0.00 0.00 44 R 8.93 4.39 0.00 1.80 1.95 0.00 2.96 0.00 0.00 2.95 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.06 0.00 45 E 8.23 4.28 0.00 2.15 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 2.44 2.40 0.00 46 K 8.74 3.81 0.00 1.69 1.92 0.00 1.56 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.39 7.81 47 S 7.85 4.30 0.00 3.98 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 48 D 7.87 4.38 0.00 2.83 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.29 0.00 1.99 2.06 0.00 3.76 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 1.69 1.89 0.00 50 H 8.81 4.68 0.00 3.32 3.50 0.00 5.79 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.18 4.49 1.90 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.14 1.03 0.00 0.00 52 K 7.72 4.31 0.00 1.67 1.74 0.00 1.56 0.00 0.00 1.75 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.38 7.81 53 L 9.19 5.25 0.00 1.51 1.43 0.80 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 9.02 4.79 0.00 1.87 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 55 L 8.62 4.94 0.00 1.56 1.69 0.98 0.83 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 56 Q 8.66 4.72 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.00 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 57 A 8.71 4.75 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 58 E 9.12 4.29 0.00 2.05 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 2.08 2.10 0.00 59 E 6.70 4.16 0.00 1.98 1.79 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 2.29 2.29 0.00 60 R 8.42 4.03 0.00 1.83 1.90 0.00 3.35 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 1.66 1.68 0.00 61 G 9.26 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 0.00 0.00 0.00 62 V 7.96 5.04 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.85 0.00 0.00 63 V 9.49 5.38 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 0.90 0.00 0.00 1.25 0.00 0.00 64 S 8.88 5.35 0.00 3.78 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.34 4.67 1.68 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.66 0.68 0.00 0.00 66 K 9.02 4.58 0.00 1.51 1.42 0.00 1.34 0.00 0.00 1.44 0.00 0.00 2.71 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.90 0.21 7.81 67 G 8.81 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 0.00 0.00 0.00 68 V 8.45 3.58 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 0.71 0.00 0.00 0.91 0.00 0.00 69 S 8.02 4.19 0.00 3.81 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 70 A 7.95 4.01 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 71 N 8.17 4.08 0.00 2.78 2.84 0.00 0.00 6.96 8.49 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 72 R 7.33 4.83 0.00 1.68 1.79 0.00 3.28 0.00 0.00 3.32 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.81 0.00 73 Y 8.93 5.01 0.00 2.86 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 74 L 9.20 4.57 0.00 1.61 1.50 0.79 0.42 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 75 A 9.50 5.21 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 M 8.75 5.16 0.00 2.39 2.34 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.77 0.00 77 K 9.18 4.72 0.00 1.94 1.74 0.00 1.93 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.54 7.81 78 E 8.61 2.89 0.00 2.01 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 2.34 2.41 0.00 79 D 8.17 4.69 0.00 2.75 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 80 G 8.30 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 R 7.91 4.53 0.00 1.81 1.91 0.00 3.14 0.00 0.00 3.13 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.74 0.00 82 L 6.96 5.07 0.00 0.27 0.51 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.63 4.67 0.00 1.88 1.70 0.94 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 84 A 8.88 5.19 1.20 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 85 S 9.18 4.80 0.00 3.90 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 86 K 8.90 4.38 0.00 1.82 1.90 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.45 7.81 87 S 7.57 4.82 0.00 3.86 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 88 V 7.91 3.55 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 0.44 0.00 0.00 -0.32 0.00 0.00 89 T 7.82 4.77 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 1.19 0.00 0.00 90 D 8.65 4.57 0.00 2.70 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 91 E 8.08 4.19 0.00 2.11 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 0.00 2.40 2.30 0.00 92 C 7.83 4.79 0.00 2.45 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 F 7.21 5.00 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 94 F 9.17 5.17 0.00 3.17 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 F 9.53 4.91 0.00 3.04 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 96 E 9.42 4.79 0.00 2.17 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 2.24 1.94 0.00 97 R 8.60 4.64 0.00 1.95 1.76 0.00 3.16 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 98 L 8.53 4.81 0.00 1.70 1.61 1.02 0.98 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 99 E 9.19 4.39 0.00 2.37 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 2.51 2.46 0.00 100 S 8.68 4.12 0.00 3.88 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 0.00 101 N 8.19 4.72 0.00 2.99 2.98 0.00 0.00 6.10 8.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 N 8.34 4.34 0.00 2.86 2.91 0.00 0.00 6.78 7.03 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 0.00 103 Y 8.14 4.68 0.00 3.16 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 0.00 104 N 9.69 5.57 0.00 2.90 2.43 0.00 0.00 6.80 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 0.00 105 T 8.52 5.31 4.53 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 1.27 0.00 0.00 106 Y 8.87 5.21 0.00 2.82 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 0.00 107 R 8.92 4.95 0.00 1.71 1.94 0.00 3.16 0.00 0.00 2.70 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.15 0.00 108 S 9.23 4.14 0.00 4.18 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 0.00 109 R 8.26 3.61 0.00 1.08 1.58 0.00 3.10 0.00 0.00 2.54 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.27 0.00 110 K 7.78 3.76 0.00 1.46 0.82 0.00 1.33 0.00 0.00 0.74 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.37 1.02 7.81 111 Y 7.26 4.34 0.00 3.00 1.90 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 0.00 112 T 7.80 4.17 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 1.26 0.00 0.00 113 S 7.64 4.64 0.00 3.76 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 0.00 114 W 8.02 5.32 0.00 3.54 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 0.00 115 Y 8.87 5.46 0.00 2.99 3.05 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 0.00 116 V 8.98 4.05 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 0.48 0.00 0.00 0.48 0.00 0.00 117 A 8.57 5.16 1.35 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 0.00 118 L 8.36 5.06 0.00 1.51 1.47 1.07 0.98 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 0.00 119 K 8.90 4.29 0.00 1.72 1.64 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.54 7.81 120 R 8.35 4.47 0.00 1.97 2.06 0.00 3.15 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 121 T 7.63 4.13 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 1.17 0.00 0.00 122 G 7.55 2.61 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 0.00 123 Q 7.19 4.64 0.00 1.78 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 124 Y 8.28 4.68 0.00 3.05 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 0.00 125 K 8.72 4.48 0.00 1.77 1.80 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.36 7.81 126 L 8.65 4.25 0.00 1.65 1.44 0.83 1.01 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 0.00 127 G 8.95 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 0.00 128 S 6.82 3.06 0.00 3.67 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 0.00 129 K 7.64 4.36 0.00 1.80 1.81 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.21 7.81 130 T 6.73 4.95 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 1.36 0.00 0.00 131 G 7.83 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 P 0.00 4.05 0.00 2.07 2.00 0.00 3.77 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.25 0.00 133 G 8.81 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 0.00 134 Q 7.45 4.29 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 135 K 8.48 3.91 0.00 1.71 1.70 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.32 7.81 136 A 7.99 4.00 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 0.00 137 I 7.03 4.50 1.78 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.49 0.87 0.00 0.00 138 L 7.52 4.79 0.00 1.36 1.28 0.58 0.97 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 0.00 139 F 9.80 5.49 0.00 3.33 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 0.00 140 L 9.46 4.96 0.00 1.94 1.72 0.33 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 141 P 0.00 5.12 0.00 2.08 2.10 0.00 3.78 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.39 0.00 142 M 9.42 4.99 0.00 1.93 2.06 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.51 0.00 143 S 8.74 4.65 0.00 3.76 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 0.00 144 A 7.94 4.33 1.20 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