NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Y 4.0934 8.0033 118.3476 57.7106 39.4760 176.4757 4 M 3.2412 8.3907 118.0448 54.7950 29.9675 175.6812 5 L 4.0790 7.2031 118.8701 54.1592 43.4023 174.9372 6 P 4.5061 0.0000 0.0000 63.3896 32.4249 174.8894 7 H 5.2577 8.8395 119.3875 54.2495 31.2687 173.9030 8 L 4.5305 8.3561 121.0066 53.5484 43.1663 176.4488 9 H 4.9164 9.4439 121.1552 56.0000 29.7506 174.1568 10 N 5.0877 7.5107 116.0178 50.0188 40.6252 175.4054 11 G 3.9088 9.3234 106.5657 47.1964 0.0000 175.7594 12 W 4.2217 8.1966 119.0795 59.1638 27.9274 178.1516 13 Q 3.1609 6.6471 118.5584 58.0806 27.9191 178.7439 14 V 3.2478 7.3815 118.9905 65.8617 31.6919 177.4333 15 D 4.3429 8.0635 118.7207 57.5929 40.4658 178.8446 16 Q 3.8731 7.7138 118.3967 59.0206 29.2388 177.7356 17 A 3.8245 7.6284 121.7578 55.1984 18.0883 179.7603 18 I 3.5366 7.3045 117.1376 63.9945 37.2026 177.7521 19 L 4.2057 7.5862 119.1848 56.0709 42.2077 177.6039 20 S 4.5512 7.4144 112.2701 58.0394 63.9683 173.4174 21 E 4.6794 7.6318 122.1388 54.6925 31.6058 175.0810 22 E 4.3157 8.7376 122.1524 55.9906 31.7448 175.8521 23 D 5.1408 8.0943 115.0229 53.9635 42.2359 175.4536 24 R 5.2596 7.5889 116.9871 54.1107 34.3778 175.1045 25 V 4.3908 9.3255 121.9626 63.1503 33.2691 175.2069 26 V 4.5915 9.4706 128.6343 61.8854 32.7373 174.6714 27 V 4.5326 8.9678 130.1163 61.7537 33.0686 174.4796 28 I 4.6269 8.2783 129.1592 59.3958 39.8957 174.6924 29 R 4.5865 8.3335 128.1734 54.9905 31.3331 174.9294 30 F 4.9402 9.1660 127.4453 55.5363 40.3012 175.1609 31 G 4.1008 8.3717 115.3650 46.4603 0.0000 172.3500 32 H 4.9610 7.4295 120.0456 53.6036 32.6272 173.8102 33 D 4.3824 8.7729 123.0483 57.2718 40.7704 178.2147 34 W 4.4006 7.5094 114.1166 58.1814 28.8708 176.3288 35 D 4.6549 7.2521 119.9209 53.1351 42.1558 174.6368 36 P 4.3051 0.0000 0.0000 66.2600 31.4341 178.8827 37 T 3.9154 7.9917 113.8227 66.8419 68.3199 176.3501 38 C 4.0655 8.4031 118.5789 62.9412 28.2553 175.7157 39 M 4.0664 8.3550 120.7383 58.7140 31.5242 179.1479 40 K 4.0003 7.9555 117.7758 59.6467 32.1961 179.2263 41 M 3.9493 8.1509 118.5667 58.6827 32.0540 177.9958 42 D 4.2378 8.8251 119.7108 57.1340 40.9473 178.3110 43 E 2.5400 7.7498 119.4546 58.6561 29.0201 179.1293 44 V 3.4333 7.3643 117.7993 66.0741 31.5719 177.9918 45 L 3.9161 8.0002 119.0261 57.7609 41.1710 178.8701 46 Y 4.0000 7.8115 118.9649 60.6133 38.8969 177.7946 47 S 4.0434 7.6602 111.5088 58.7302 63.9042 174.1907 48 I 4.2481 7.1707 113.9133 60.3314 38.9342 177.0971 49 A 3.8145 7.4372 124.1789 55.5138 18.3870 178.8274 50 E 3.9758 7.8930 114.7157 59.0875 30.0402 178.8811 51 K 3.7462 8.0279 118.6755 59.2944 32.3871 177.4995 52 V 3.0560 7.3065 109.6183 60.4159 31.5682 177.8440 53 K 4.1068 7.1022 120.0791 58.6922 32.5010 178.0933 54 N 4.4764 7.6954 116.3788 55.1237 38.9763 175.2515 55 F 4.7315 7.3514 110.4360 55.7416 39.3587 174.2201 56 A 5.2626 7.1236 119.5824 51.2765 22.4928 175.8145 57 V 4.3281 8.8650 119.4723 59.8449 35.1685 174.3901 58 I 4.8616 7.9487 123.1600 59.7747 39.4825 174.4503 59 Y 4.9049 8.8974 124.1475 56.0856 41.9040 174.4812 60 L 5.0319 8.6016 121.5226 52.9920 44.9705 175.8344 61 V 4.4334 8.4260 122.2173 61.0119 34.7596 173.8556 62 D 5.6682 9.0141 128.5880 53.1487 41.9036 176.2039 63 I 4.7872 8.2181 120.9589 61.2355 37.7865 177.3487 64 T 4.2397 8.0224 117.8652 66.5271 68.9768 176.0841 65 E 4.2984 8.6395 119.9008 57.9550 31.0108 177.2745 66 V 4.3501 8.4031 121.2049 60.5233 31.3710 173.2169 67 P 5.0119 0.0000 0.0000 61.8079 31.6387 178.7208 68 D 4.1561 8.0059 120.5533 56.8535 40.8904 177.4374 69 F 4.5533 7.7857 115.3862 57.0307 40.2393 177.0853 70 N 4.0443 8.0163 119.5702 56.2221 38.3327 177.4199 71 K 4.0081 7.9354 118.7813 59.4699 32.7344 178.4366 72 M 3.7057 7.9506 117.4009 58.1983 32.1360 176.1351 73 Y 4.7299 7.6914 112.6515 56.8957 38.9801 175.2370 74 E 3.2663 7.2138 118.0242 57.3350 27.3177 177.0901 75 L 4.1652 6.9115 118.5347 53.6293 40.3706 176.8596 76 Y 4.8866 7.7338 115.5861 57.4267 39.7582 175.8731 77 D 4.8257 7.8121 119.6584 52.7082 42.2274 174.5192 78 P 4.4042 0.0000 0.0000 65.5422 31.6849 176.6652 79 C 4.9045 7.8248 117.3157 57.9651 35.1900 172.7711 80 T 4.9380 8.8694 122.0607 61.8881 72.2559 172.7741 81 V 4.5651 9.1340 127.9781 61.3501 33.6359 174.4173 82 M 4.6499 8.4739 126.5516 53.2844 36.1600 174.4134 83 F 5.4600 7.9759 118.7321 55.8637 42.7669 174.3753 84 F 5.4720 9.1472 119.9053 56.0162 43.8036 173.6458 85 F 4.9049 9.3240 124.1862 57.2486 42.8084 174.7211 86 R 3.5831 8.9267 125.8982 57.4336 27.4929 176.1718 87 N 4.3369 8.3286 110.6192 53.8982 38.1143 172.8477 88 K 4.6776 7.8445 116.4894 54.5613 34.1184 175.0519 89 H 4.4446 9.0561 123.3821 56.3792 29.8259 174.3367 90 I 4.2075 8.1988 129.4331 60.5744 37.6695 175.8801 91 M 4.4922 8.7038 127.4798 54.6920 34.0552 175.3652 92 I 4.7807 8.8525 121.4405 59.3896 41.9892 173.7073 93 D 5.2186 9.5784 130.1953 53.6538 41.3926 176.0107 94 L 4.9681 8.3381 125.4366 53.3744 43.1149 178.5084 95 G 4.0650 8.5801 107.5293 45.7959 0.0000 174.4035 96 T 4.1568 7.8875 108.2807 61.4385 69.5356 175.7688 97 G 3.8804 8.4313 110.6753 45.0282 0.0000 172.6347 98 N 4.7846 7.4882 116.7400 52.2358 39.2310 173.5813 99 N 5.5971 8.5230 122.0094 52.8813 39.0690 176.7357 100 N 4.5711 8.1738 116.7342 54.8010 39.2361 175.2122 101 K 4.3592 7.5230 113.7325 56.0728 34.8255 174.6094 102 I 3.8474 8.1315 122.3902 60.1858 37.2280 176.1342 103 N 5.8572 9.0673 123.2060 51.0863 37.6989 174.0178 104 W 5.0339 7.3395 113.4228 55.0974 31.3006 174.5815 105 A 4.0476 8.6535 123.1168 51.6763 17.5300 176.8058 106 M 4.5692 8.0518 120.2182 54.8539 32.5592 176.0078 107 E 4.4399 8.8220 121.6847 56.0056 30.2380 175.5203 108 D 4.6803 7.8547 119.8379 52.9267 42.0340 176.8595 109 K 3.9617 8.4913 127.3146 59.7470 32.3020 179.1263 110 Q 3.9970 8.0450 119.2866 59.1369 28.9875 177.7265 111 E 4.0398 8.2350 119.9089 59.8081 29.5269 179.1042 112 M 4.0926 7.9298 118.2734 58.3416 32.2106 178.4658 113 V 3.6210 7.7632 118.6303 66.2071 31.6608 177.8462 114 D 4.3438 8.5875 119.0434 57.2161 40.5718 178.8352 115 I 3.6374 7.7871 120.4502 64.4933 37.0956 178.5801 116 I 3.4621 7.6682 120.5934 64.1947 36.8479 178.1401 117 E 3.5330 8.4577 120.3504 59.2974 29.3034 179.0588 118 T 3.7144 8.0788 116.0968 66.5607 68.4556 176.6650 119 V 3.3580 7.8793 120.5292 66.0526 31.4118 177.3596 120 Y 3.7869 8.2052 119.4018 60.8365 38.1657 178.3643 121 R 3.6575 8.0682 119.2183 58.9142 30.0963 179.4105 122 G 3.4139 8.1267 105.5702 47.7160 0.0000 175.7434 123 A 4.1193 7.7819 125.0915 54.0974 18.0696 179.5399 124 R 3.8296 7.0478 115.9291 58.2594 30.1254 177.6838 125 K 4.3271 7.0992 115.8213 56.0045 32.3378 177.5360 126 G 3.9700 7.6837 108.0387 45.0929 0.0000 174.5911 127 R 3.9732 7.8590 120.3764 56.4260 30.5747 177.2804 128 G 4.0114 8.6180 108.3458 46.5106 0.0000 172.6715 129 L 5.4586 7.6911 121.8232 53.2541 45.3040 175.7352 130 V 4.5375 8.2827 123.5452 60.2433 35.3201 173.5911 131 V 4.7417 8.1726 122.4031 61.2052 33.1226 175.6283 132 S 4.3072 8.9873 123.4320 57.8037 63.5028 173.6965 133 P 4.2056 0.0000 0.0000 64.5928 31.4219 176.4440 134 K 4.3128 7.5955 117.5866 54.0390 33.9796 174.7081 135 D 4.3870 8.2580 125.2383 54.2746 41.2876 175.0267 136 Y 4.4643 8.3486 124.7137 58.1728 38.0079 175.9632 137 S 4.5822 8.6765 121.5486 58.6718 64.0660 170.0747 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 Y 8.00 4.09 0.00 3.03 2.57 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 4 M 8.39 3.24 0.00 2.31 2.35 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 2.51 2.52 0.00 5 L 7.20 4.08 0.00 1.66 1.53 0.95 0.93 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 6 P 0.00 4.51 0.00 2.22 2.18 0.00 3.59 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 1.83 1.75 0.00 7 H 8.84 5.26 0.00 2.93 3.08 0.00 5.64 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.36 4.53 0.00 1.28 1.28 0.37 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 9 H 9.44 4.92 0.00 3.23 3.47 0.00 5.65 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 7.51 5.09 0.00 3.21 3.10 0.00 0.00 6.11 7.06 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 11 G 9.32 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 12 W 8.20 4.22 0.00 3.46 3.42 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 13 Q 6.65 3.16 0.00 1.58 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.86 0.00 0.00 0.00 0.00 0.00 1.20 1.16 0.00 14 V 7.38 3.25 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 0.52 0.00 0.00 0.98 0.00 0.00 15 D 8.06 4.34 0.00 2.95 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 16 Q 7.71 3.87 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 17 A 7.63 3.82 0.55 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 0.00 0.00 18 I 7.30 3.54 1.57 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.19 0.63 0.00 0.00 19 L 7.59 4.21 0.00 1.87 1.77 0.91 1.02 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 20 S 7.41 4.55 0.00 3.98 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 21 E 7.63 4.68 0.00 1.93 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 2.24 2.27 0.00 22 E 8.74 4.32 0.00 1.79 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 2.15 2.28 0.00 23 D 8.09 5.14 0.00 2.74 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 24 R 7.59 5.26 0.00 1.86 1.86 0.00 3.23 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 25 V 9.33 4.39 2.32 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 1.31 0.00 0.00 1.31 0.00 0.00 26 V 9.47 4.59 2.28 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 0.97 0.00 0.00 1.07 0.00 0.00 27 V 8.97 4.53 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 0.84 0.00 0.00 1.19 0.00 0.00 28 I 8.28 4.63 1.52 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.67 -0.29 0.00 0.00 29 R 8.33 4.59 0.00 1.68 1.63 0.00 3.11 0.00 0.00 3.05 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.71 0.00 30 F 9.17 4.94 0.00 3.07 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 31 G 8.37 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 32 H 7.43 4.96 0.00 1.40 2.21 0.00 5.64 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.77 4.38 0.00 2.72 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 34 W 7.51 4.40 0.00 3.49 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 35 D 7.25 4.65 0.00 1.91 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.31 0.00 2.25 2.16 0.00 3.77 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 37 T 7.99 3.92 4.36 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 1.23 0.00 0.00 38 C 8.40 4.07 0.00 3.09 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 39 M 8.35 4.07 0.00 2.11 2.37 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.67 0.00 40 K 7.96 4.00 0.00 1.96 1.85 0.00 1.70 0.00 0.00 1.95 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.70 7.81 41 M 8.15 3.95 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 42 D 8.83 4.24 0.00 2.94 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 43 E 7.75 2.54 0.00 1.93 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 1.92 2.48 0.00 44 V 7.36 3.43 2.14 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 0.91 0.00 0.00 1.00 0.00 0.00 45 L 8.00 3.92 0.00 1.61 1.60 0.78 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 46 Y 7.81 4.00 0.00 2.85 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 7.66 4.04 0.00 4.04 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.17 4.25 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.66 0.95 0.00 0.00 49 A 7.44 3.81 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 E 7.89 3.98 0.00 1.86 1.88 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 2.23 2.10 0.00 51 K 8.03 3.75 0.00 1.73 1.77 0.00 1.71 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.44 7.81 52 V 7.31 3.06 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 0.71 0.00 0.00 0.74 0.00 0.00 53 K 7.10 4.11 0.00 1.64 1.96 0.00 1.51 0.00 0.00 1.45 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.25 7.81 54 N 7.70 4.48 0.00 2.75 2.95 0.00 0.00 6.69 7.45 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 55 F 7.35 4.73 0.00 1.51 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 56 A 7.12 5.26 1.11 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 0.00 0.00 57 V 8.86 4.33 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 1.04 0.00 0.00 0.53 0.00 0.00 58 I 7.95 4.86 1.67 0.00 0.00 0.72 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 0.53 0.77 0.00 0.00 59 Y 8.90 4.90 0.00 2.73 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.60 5.03 0.00 1.23 1.36 0.81 0.91 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 61 V 8.43 4.43 1.68 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 1.22 0.00 0.00 0.60 0.00 0.00 62 D 9.01 5.67 0.00 2.91 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.22 4.79 2.11 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 1.65 1.73 1.13 0.00 0.00 64 T 8.02 4.24 4.62 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 1.33 0.00 0.00 65 E 8.64 4.30 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.40 0.00 66 V 8.40 4.35 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 1.20 0.00 0.00 1.09 0.00 0.00 67 P 0.00 5.01 0.00 2.27 2.30 0.00 3.95 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 68 D 8.01 4.16 0.00 1.91 2.14 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 69 F 7.79 4.55 0.00 2.85 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 70 N 8.02 4.04 0.00 2.80 2.76 0.00 0.00 6.59 6.66 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 71 K 7.94 4.01 0.00 1.79 1.75 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.51 7.81 72 M 7.95 3.71 0.00 1.59 1.79 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.63 0.00 73 Y 7.69 4.73 0.00 2.75 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 E 7.21 3.27 0.00 2.07 2.10 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 2.42 2.31 0.00 75 L 6.91 4.17 0.00 1.38 1.45 0.16 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 7.73 4.89 0.00 2.99 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 D 7.81 4.83 0.00 2.70 2.65 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 0.00 0.00 0.00 0.00 78 P 0.00 4.40 0.00 2.05 2.46 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 79 C 7.82 4.90 0.00 2.88 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 T 8.87 4.94 4.32 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 1.16 0.00 0.00 81 V 9.13 4.57 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 0.44 0.00 0.00 0.69 0.00 0.00 82 M 8.47 4.65 0.00 1.43 1.86 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 83 F 7.98 5.46 0.00 2.90 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 84 F 9.15 5.47 0.00 3.06 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 F 9.32 4.90 0.00 3.12 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 86 R 8.93 3.58 0.00 1.92 1.88 0.00 3.47 0.00 0.00 3.13 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.68 0.00 87 N 8.33 4.34 0.00 2.86 2.95 0.00 0.00 7.13 6.68 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 88 K 7.84 4.68 0.00 2.18 1.79 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.42 7.81 89 H 9.06 4.44 0.00 3.22 3.34 0.00 5.91 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.20 4.21 1.89 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.05 0.84 0.00 0.00 91 M 8.70 4.49 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.24 0.00 92 I 8.85 4.78 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.60 1.02 0.00 0.00 93 D 9.58 5.22 0.00 2.78 2.58 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 94 L 8.34 4.97 0.00 1.90 2.14 1.13 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.58 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 96 T 7.89 4.16 4.21 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 1.05 0.00 0.00 97 G 8.43 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 N 7.49 4.78 0.00 2.77 2.83 0.00 0.00 7.14 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 99 N 8.52 5.60 0.00 2.81 2.88 0.00 0.00 7.60 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 0.00 100 N 8.17 4.57 0.00 2.90 2.91 0.00 0.00 6.74 6.94 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 0.00 101 K 7.52 4.36 0.00 1.79 1.62 0.00 1.51 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.42 7.81 102 I 8.13 3.85 1.43 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 0.81 0.82 -0.48 0.00 0.00 103 N 9.07 5.86 0.00 2.93 2.89 0.00 0.00 6.16 8.88 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 0.00 104 W 7.34 5.03 0.00 3.32 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 0.00 105 A 8.65 4.05 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 0.00 106 M 8.05 4.57 0.00 1.78 2.16 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.25 0.00 107 E 8.82 4.44 0.00 2.00 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 2.22 2.28 0.00 108 D 7.85 4.68 0.00 2.79 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 0.00 109 K 8.49 3.96 0.00 1.83 1.81 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.46 7.81 110 Q 8.04 4.00 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.87 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 111 E 8.24 4.04 0.00 2.35 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 0.00 2.49 2.40 0.00 112 M 7.93 4.09 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 113 V 7.76 3.62 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 1.15 0.00 0.00 0.98 0.00 0.00 114 D 8.59 4.34 0.00 2.71 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 I 7.79 3.64 2.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.71 0.75 0.00 0.00 116 I 7.67 3.46 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.78 1.06 0.00 0.00 117 E 8.46 3.53 0.00 1.87 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 0.00 2.05 1.69 0.00 118 T 8.08 3.71 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 1.19 0.00 0.00 119 V 7.88 3.36 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 0.90 0.00 0.00 0.34 0.00 0.00 120 Y 8.21 3.79 0.00 3.14 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 0.00 121 R 8.07 3.66 0.00 1.74 1.80 0.00 3.06 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 122 G 8.13 3.41 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 0.00 123 A 7.78 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 R 7.05 3.83 0.00 1.13 1.53 0.00 3.19 0.00 0.00 2.86 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 125 K 7.10 4.33 0.00 1.79 1.73 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.46 7.81 126 G 7.68 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 0.00 127 R 7.86 3.97 0.00 1.87 1.96 0.00 3.23 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 128 G 8.62 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 0.00 0.00 0.00 129 L 7.69 5.46 0.00 1.57 1.47 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 130 V 8.28 4.54 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 0.58 0.00 0.00 0.87 0.00 0.00 131 V 8.17 4.74 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 0.89 0.00 0.00 0.92 0.00 0.00 132 S 8.99 4.31 0.00 4.13 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 0.00 133 P 0.00 4.21 0.00 2.05 2.14 0.00 3.68 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 134 K 7.60 4.31 0.00 1.53 1.09 0.00 1.84 0.00 0.00 1.26 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.94 1.21 7.81 135 D 8.26 4.39 0.00 2.59 2.46 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 0.00 136 Y 8.35 4.46 0.00 3.17 2.65 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 0.00 0.00 0.00 0.00 137 S 8.68 4.58 0.00 3.94 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