NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4658 8.3349 115.4127 58.3124 64.0395 173.6407 2 N 4.4201 7.9029 117.9207 55.4274 39.4830 175.4345 3 I 4.6909 8.4505 115.9269 60.8441 40.6775 174.4697 4 I 4.3186 7.8935 120.5932 63.0600 38.8882 177.8686 5 K 4.0931 7.7740 116.3029 58.0627 32.3680 177.8011 6 Q 4.4306 7.8353 116.8622 55.6375 29.6146 177.1773 7 L 3.9822 8.2664 122.1358 58.2677 42.2356 179.3137 8 E 4.3961 8.2080 112.1017 57.4340 29.1099 177.5853 9 Q 4.4656 7.9542 118.0929 57.7854 30.1767 177.3951 10 E 4.2857 7.6214 115.6597 58.0842 29.9445 177.7567 11 Q 4.3606 8.7166 118.0875 57.1693 29.3745 176.8021 12 M 4.4145 7.6971 119.7991 56.4048 34.0211 177.3797 13 K 4.6691 8.2489 121.5963 54.2066 30.8296 176.1919 14 Q 4.6484 7.8923 123.8921 55.4644 30.0815 176.7946 15 D 4.6045 7.7596 117.5301 54.7117 41.3497 176.0168 16 V 4.3351 7.8987 113.6984 61.7447 32.9941 171.3416 17 P 4.5313 0.0000 0.0000 62.6571 31.9962 176.8757 18 S 4.5656 8.0346 112.7188 57.7577 66.7852 176.1551 19 F 3.5151 8.4690 117.2252 58.3786 37.2376 175.6949 20 R 4.5853 7.8869 119.8193 54.4304 30.2523 175.1852 21 P 4.4306 0.0000 0.0000 63.0929 30.7635 177.4611 22 G 4.5546 8.2879 115.5682 44.7942 0.0000 169.8421 23 D 3.8457 8.7407 119.2154 56.6221 40.5863 175.7807 24 T 3.4814 8.9751 117.0885 63.9724 67.7039 172.6671 25 V 4.6460 7.1992 121.7982 63.0526 28.9274 177.2387 26 E 4.6794 8.1067 127.7406 54.6759 28.5367 178.4624 27 V 3.6854 7.5235 118.4539 61.1241 32.2527 175.3695 28 K 3.6959 8.6287 124.2148 57.1238 31.6914 177.4884 29 V 4.0303 7.6870 130.1305 61.1602 29.0456 176.5801 30 W 4.3365 7.9834 121.1574 57.4025 30.3137 177.1536 31 V 4.4763 8.2112 124.1052 61.4560 33.1034 176.5508 32 V 3.7137 8.6650 128.8275 64.3289 31.3496 174.4136 33 E 3.9366 7.7285 120.3526 53.4309 30.3983 175.6196 34 G 4.1956 9.5877 113.2445 43.8371 0.0000 171.3080 35 S 4.0601 8.8568 116.3690 57.5833 64.2558 169.2141 36 K 4.7620 8.1170 125.0189 55.9241 34.8901 175.2148 37 K 4.2263 8.9203 122.9047 57.1717 31.2255 175.5391 38 R 4.2767 7.8057 116.3646 56.3279 34.1932 169.3565 39 L 3.6104 8.6941 122.7876 54.4965 41.8426 174.1727 40 Q 4.1244 8.8661 119.9818 56.1666 29.7762 176.7395 41 A 3.2666 7.7416 118.3738 54.0963 17.7484 175.9296 42 F 5.5801 7.3331 107.9224 57.2552 38.2302 172.2671 43 E 4.5934 8.0648 126.7004 55.5714 31.8481 175.0157 44 G 4.1248 8.3114 109.7638 44.4701 0.0000 172.2489 45 V 4.4168 7.7694 119.1404 61.0554 34.1469 174.2991 46 V 4.4066 8.1525 125.1911 61.3447 33.3448 175.0200 47 I 4.0521 8.0744 127.0233 60.7691 39.6137 173.9588 48 A 4.5192 8.6438 122.7900 48.9479 21.8694 175.3335 49 I 4.4695 7.8073 114.1049 60.1094 38.0691 173.8699 50 R 4.3916 8.6287 123.5552 55.7015 33.7752 172.4780 51 N 5.0990 7.9081 124.3071 52.4780 37.7121 176.4319 52 R 5.2165 6.9809 113.1858 56.2778 32.6889 174.5910 53 G 3.9103 8.3799 115.0227 44.1096 0.0000 169.5421 54 L 4.6403 8.0072 123.0444 54.8265 45.9683 171.6068 55 H 3.6232 8.3783 129.1827 54.8557 28.7790 175.7861 56 S 3.7517 8.0716 116.7048 60.2698 63.2209 174.5580 57 A 4.3735 7.4469 124.9526 52.0218 16.3582 177.7464 58 F 4.8461 7.8435 114.4840 57.1491 39.1837 175.8280 59 T 3.9169 7.2750 118.6029 64.3519 68.0605 173.1271 60 V 3.9455 7.8323 123.1812 61.4178 35.6924 171.9442 61 R 3.7108 8.6560 129.9395 56.9602 27.3559 175.5820 62 K 4.9248 8.6655 122.5363 55.0686 34.2007 176.3783 63 I 4.9401 8.1536 122.4012 59.8347 41.4902 174.2934 64 S 4.9979 8.8411 122.3309 56.7702 65.4583 173.0143 65 N 4.9823 8.7204 121.8855 51.5779 40.6803 175.8454 66 G 3.8221 8.8385 111.4554 46.0930 0.0000 173.7419 67 E 4.0762 7.9171 118.7495 56.9044 31.2982 175.4979 68 G 3.6817 9.4633 114.0678 45.7110 0.0000 173.4535 69 V 4.2072 7.8631 117.1897 62.8108 34.9744 174.9286 70 E 4.5365 7.7581 128.7144 55.9360 31.3736 175.4584 71 R 4.4054 8.5433 124.9807 54.4430 28.1059 178.7063 72 V 5.0371 8.2104 120.9282 60.7501 32.3784 174.0606 73 F 4.4282 8.8735 128.0061 56.9661 41.1478 174.9871 74 Q 5.0291 8.2618 125.2773 54.6056 28.0787 174.8461 75 T 4.8147 8.0921 113.2791 62.4287 71.5867 175.3648 76 H 4.9619 8.9920 118.3364 55.8322 28.7549 174.9397 77 S 5.1155 8.9685 132.1000 59.5086 65.5753 175.7051 78 P 4.3762 0.0000 0.0000 62.4757 31.7112 176.0486 79 V 3.3391 7.0641 122.1875 63.0800 30.4479 174.5690 80 V 4.6477 7.6438 128.8739 60.1400 32.4482 171.3223 81 D 4.7606 7.8490 123.5334 53.4889 40.1758 176.1453 82 S 4.0785 8.2815 116.7753 59.2088 62.1066 173.3782 83 I 3.5141 7.7573 128.4708 59.2269 37.5355 175.1912 84 S 3.9480 8.1337 117.7327 58.5643 63.0772 176.1961 85 V 3.6133 7.8596 123.8793 61.8613 31.8359 172.7780 86 K 4.4212 7.2233 120.5300 54.4329 30.2768 176.6490 87 R 4.2216 7.6857 119.4724 56.8886 28.8593 176.5778 88 R 4.2115 8.2455 120.3398 56.8730 31.1822 177.2923 89 G 4.5272 8.0461 105.3520 42.4314 0.0000 172.8537 90 A 4.2566 8.3657 127.9347 51.0220 19.6860 176.4446 91 V 3.8570 8.1440 118.2739 63.5337 31.9359 175.4105 92 R 4.7031 7.7319 123.4826 55.8347 31.9806 174.0659 93 K 4.0297 8.1855 116.8723 56.8076 32.6526 175.3028 94 A 4.5194 8.5681 124.8560 53.7876 20.7397 177.3400 95 K 3.9887 8.0344 113.3010 56.3592 32.6078 176.8735 96 L 3.3171 7.6408 120.1700 55.4680 42.3595 172.0790 97 Y 3.7852 7.5315 115.4254 57.2302 39.0756 172.7929 98 Y 3.5360 8.5410 126.9463 58.5492 36.8963 170.3892 99 L 4.4924 7.8871 125.1314 54.3670 43.3638 175.1363 100 R 4.2231 7.9182 118.7558 56.4403 31.0273 178.2828 101 E 4.8453 8.3159 121.0890 56.0329 32.1103 175.7701 102 R 4.5063 7.7490 122.8255 54.8176 29.3544 176.8412 103 T 4.5316 7.3889 115.2882 61.0240 69.6567 172.4274 104 G 3.7643 8.3646 112.2215 44.8445 0.0000 171.1085 105 K 4.2310 7.9124 124.1024 57.7807 35.5355 175.8990 106 A 4.1462 8.7234 120.8133 53.4370 18.9423 178.1192 107 A 4.3601 7.1914 120.0516 50.6478 16.7266 177.9241 108 R 4.1098 7.5528 122.3045 55.5943 31.2766 178.8007 109 I 3.4611 8.2443 120.5768 62.0666 37.3931 173.2895 110 K 3.7467 7.4548 126.4544 55.8327 32.5024 174.5983 111 E 4.5843 8.2703 121.3704 55.2590 32.9242 171.7610 112 R 3.8616 8.7381 128.2859 55.6863 29.7147 176.4658 113 L 4.4851 8.2062 124.6122 53.9406 44.4622 175.1349 114 N 4.5876 8.5771 122.7359 53.6018 39.6157 174.3068 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 S 8.33 4.47 0.00 3.99 3.99 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 2 N 7.90 4.42 0.00 2.82 2.91 0.00 0.00 6.99 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 3 I 8.45 4.69 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.60 0.92 0.00 0.00 4 I 7.89 4.32 1.87 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 1.42 0.83 0.91 0.00 0.00 5 K 7.77 4.09 0.00 1.75 1.85 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.55 7.81 6 Q 7.84 4.43 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 7 L 8.27 3.98 0.00 1.73 1.80 1.04 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.21 4.40 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 9 Q 7.95 4.47 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 10 E 7.62 4.29 0.00 2.27 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 2.56 2.36 0.00 11 Q 8.72 4.36 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.70 0.00 12 M 7.70 4.41 0.00 2.01 2.38 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.56 0.00 13 K 8.25 4.67 0.00 1.75 1.83 0.00 1.83 0.00 0.00 1.64 0.00 0.00 3.14 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.81 7.81 14 Q 7.89 4.65 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.92 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 15 D 7.76 4.60 0.00 2.80 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 16 V 7.90 4.34 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 0.79 0.00 0.00 0.97 0.00 0.00 17 P 0.00 4.53 0.00 1.97 1.97 0.00 3.51 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.93 0.00 18 S 8.03 4.57 0.00 3.96 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 19 F 8.47 3.52 0.00 3.08 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 20 R 7.89 4.59 0.00 1.89 1.87 0.00 3.36 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 21 P 0.00 4.43 0.00 2.14 2.06 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 22 G 8.29 4.55 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 0.00 23 D 8.74 3.85 0.00 2.65 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.98 3.48 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 1.22 0.00 0.00 25 V 7.20 4.65 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.05 0.00 0.00 26 E 8.11 4.68 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.37 0.00 27 V 7.52 3.69 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.01 0.00 0.00 28 K 8.63 3.70 0.00 1.75 1.29 0.00 0.78 0.00 0.00 1.21 0.00 0.00 2.54 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 0.93 7.81 29 V 7.69 4.03 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 0.65 0.00 0.00 0.93 0.00 0.00 30 W 7.98 4.34 0.00 3.18 3.14 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 31 V 8.21 4.48 2.05 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 1.04 0.00 0.00 0.96 0.00 0.00 32 V 8.67 3.71 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 0.90 0.00 0.00 0.99 0.00 0.00 33 E 7.73 3.94 0.00 2.41 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 2.23 2.38 0.00 34 G 9.59 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 35 S 8.86 4.06 0.00 4.03 3.90 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 36 K 8.12 4.76 0.00 1.76 1.74 0.00 1.94 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.42 7.81 37 K 8.92 4.23 0.00 1.91 1.95 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.35 7.81 38 R 7.81 4.28 0.00 1.72 1.70 0.00 3.45 0.00 0.00 3.23 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.52 0.00 39 L 8.69 3.61 0.00 1.80 1.63 0.92 0.81 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 40 Q 8.87 4.12 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.98 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 41 A 7.74 3.27 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 42 F 7.33 5.58 0.00 3.13 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 43 E 8.06 4.59 0.00 1.92 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 2.28 2.21 0.00 44 G 8.31 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 0.00 0.00 0.00 45 V 7.77 4.42 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 0.94 0.00 0.00 1.01 0.00 0.00 46 V 8.15 4.41 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 0.86 0.00 0.00 0.82 0.00 0.00 47 I 8.07 4.05 2.08 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 1.23 1.27 0.90 0.00 0.00 48 A 8.64 4.52 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 49 I 7.81 4.47 1.84 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.81 0.99 0.00 0.00 50 R 8.63 4.39 0.00 1.86 1.76 0.00 3.27 0.00 0.00 3.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 51 N 7.91 5.10 0.00 2.70 2.63 0.00 0.00 6.10 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 52 R 6.98 5.22 0.00 1.94 1.92 0.00 3.24 0.00 0.00 3.19 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 53 G 8.38 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 54 L 8.01 4.64 0.00 1.68 1.53 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 55 H 8.38 3.62 0.00 3.27 3.02 0.00 5.67 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 56 S 8.07 3.75 0.00 3.80 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 57 A 7.45 4.37 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 58 F 7.84 4.85 0.00 3.06 2.98 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 59 T 7.27 3.92 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 0.67 0.00 0.00 60 V 7.83 3.95 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 0.76 0.00 0.00 1.05 0.00 0.00 61 R 8.66 3.71 0.00 1.98 2.02 0.00 3.20 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 62 K 8.67 4.92 0.00 1.80 1.74 0.00 1.65 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.67 1.39 7.81 63 I 8.15 4.94 1.93 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.88 0.94 0.00 0.00 64 S 8.84 5.00 0.00 3.71 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 65 N 8.72 4.98 0.00 2.87 2.71 0.00 0.00 6.98 7.58 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 66 G 8.84 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 0.00 0.00 0.00 67 E 7.92 4.08 0.00 2.08 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 2.27 2.30 0.00 68 G 9.46 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 0.00 0.00 0.00 69 V 7.86 4.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.93 0.00 0.00 70 E 7.76 4.54 0.00 1.90 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 2.19 2.33 0.00 71 R 8.54 4.41 0.00 1.90 1.71 0.00 3.21 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 72 V 8.21 5.04 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 0.84 0.00 0.00 0.94 0.00 0.00 73 F 8.87 4.43 0.00 3.17 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 74 Q 8.26 5.03 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.62 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 75 T 8.09 4.81 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 1.22 0.00 0.00 76 H 8.99 4.96 0.00 3.14 2.78 0.00 5.80 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.97 5.12 0.00 3.95 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 78 P 0.00 4.38 0.00 2.08 2.02 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 2.10 2.13 0.00 79 V 7.06 3.34 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 0.81 0.00 0.00 0.94 0.00 0.00 80 V 7.64 4.65 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 0.77 0.00 0.00 0.96 0.00 0.00 81 D 7.85 4.76 0.00 3.02 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 82 S 8.28 4.08 0.00 3.68 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 83 I 7.76 3.51 1.87 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 1.47 0.62 0.98 0.00 0.00 84 S 8.13 3.95 0.00 4.02 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 85 V 7.86 3.61 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 0.78 0.00 0.00 0.99 0.00 0.00 86 K 7.22 4.42 0.00 1.79 1.81 0.00 1.92 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 3.49 0.00 0.00 0.00 0.00 1.71 1.71 7.81 87 R 7.69 4.22 0.00 1.79 1.95 0.00 3.27 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 88 R 8.25 4.21 0.00 1.89 1.98 0.00 3.33 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 89 G 8.05 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 0.00 0.00 0.00 0.00 90 A 8.37 4.26 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 91 V 8.14 3.86 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.94 0.00 0.00 92 R 7.73 4.70 0.00 1.71 1.79 0.00 3.32 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.50 0.00 93 K 8.19 4.03 0.00 1.68 1.67 0.00 1.33 0.00 0.00 0.77 0.00 0.00 2.30 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.20 7.81 94 A 8.57 4.52 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 95 K 8.03 3.99 0.00 1.74 1.84 0.00 1.95 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.46 7.81 96 L 7.64 3.32 0.00 1.82 1.77 0.98 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 7.53 3.79 0.00 3.12 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 98 Y 8.54 3.54 0.00 3.32 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 99 L 7.89 4.49 0.00 1.52 1.51 0.88 1.06 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 0.00 100 R 7.92 4.22 0.00 1.88 1.89 0.00 3.35 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 101 E 8.32 4.85 0.00 1.91 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 2.22 2.32 0.00 102 R 7.75 4.51 0.00 1.79 1.89 0.00 3.16 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 103 T 7.39 4.53 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 104 G 8.36 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 0.00 105 K 7.91 4.23 0.00 1.96 1.82 0.00 1.51 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.33 7.81 106 A 8.72 4.15 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 0.00 107 A 7.19 4.36 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 0.00 108 R 7.55 4.11 0.00 1.92 1.86 0.00 3.28 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 109 I 8.24 3.46 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.72 0.88 0.00 0.00 110 K 7.45 3.75 0.00 1.74 1.80 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.52 7.81 111 E 8.27 4.58 0.00 1.89 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 0.00 2.17 2.27 0.00 112 R 8.74 3.86 0.00 1.95 2.02 0.00 3.31 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 113 L 8.21 4.49 0.00 1.54 1.50 0.92 0.97 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 0.00 114 N 8.58 4.59 0.00 2.66 2.62 0.00 0.00 7.02 7.56 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