NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4155 8.1933 115.2887 57.8507 63.5266 174.4377 2 M 3.7161 8.6712 124.1988 57.9885 31.9852 176.5433 3 Q 3.9554 8.3314 117.3362 58.5857 29.5588 176.6079 4 D 4.6443 8.3394 116.3949 51.3014 43.0194 173.7020 5 P 4.1253 0.0000 0.0000 64.9512 31.7578 178.3435 6 I 3.6420 7.7517 119.3042 64.3544 37.2428 177.9892 7 A 4.0003 8.4374 121.0414 55.1916 18.0891 178.1154 8 D 4.3565 7.9229 117.7419 56.1342 41.0957 178.0985 9 M 3.6788 8.6361 118.2639 58.5951 32.8258 178.6511 10 L 3.9127 8.2541 119.4672 58.3749 41.8534 180.0177 11 T 3.8425 7.7708 115.0101 66.7190 68.4498 176.7636 12 R 3.8608 8.4152 120.9120 60.0380 29.8356 178.0903 13 I 3.6705 8.0758 119.4542 64.2267 37.1216 178.0574 14 R 3.8459 8.0084 119.1501 59.9265 30.0528 178.4846 15 N 4.5600 8.9792 115.9080 55.4493 38.4779 177.7802 16 G 3.5579 7.7426 107.7128 47.8738 0.0000 175.5722 17 Q 4.0026 8.3377 121.2960 58.5597 28.5711 179.0014 18 A 4.0228 7.7833 120.0737 55.2829 18.4557 178.7677 19 A 4.3713 7.6451 115.4608 51.0592 18.9672 176.8455 20 N 5.0350 8.6624 114.4591 53.5163 36.9910 174.5683 21 K 4.2015 8.1659 118.7876 55.7944 33.1547 176.1474 22 A 4.4160 8.9313 128.4328 54.4393 19.3269 176.7267 23 A 5.1226 7.9410 114.5189 50.3834 22.3972 176.3100 24 V 4.5120 8.5044 119.1207 61.8499 35.3374 174.0559 25 T 5.3576 9.2799 117.2455 58.5569 72.1398 172.8571 26 M 4.5588 8.2156 123.0479 54.3628 32.7686 173.1482 27 P 4.7217 0.0000 0.0000 63.5368 32.0167 175.6711 28 S 4.8231 8.5305 118.4068 57.0070 64.4318 173.2267 29 S 4.7275 8.2338 117.1409 55.3812 65.8258 174.6199 30 K 3.8430 8.9727 125.9770 59.7531 31.7636 179.0746 31 L 3.9111 7.8103 119.6895 58.1804 41.9777 178.7607 32 K 3.8251 8.1474 117.9677 59.7229 31.9188 178.8027 33 V 3.5816 8.4358 118.0469 66.2390 31.0184 177.6355 34 A 3.9461 8.0968 120.2674 55.4075 17.9864 179.8205 35 I 3.6733 7.7617 117.7372 64.5794 37.2503 178.1742 36 A 3.9808 8.1860 121.8625 55.3755 18.0584 178.7726 37 N 3.9995 8.2850 115.3726 57.0607 39.0495 176.9127 38 V 3.5610 7.4260 117.7592 66.2617 31.6991 177.6899 39 L 4.1310 8.1465 118.7054 58.8707 41.4039 178.8073 40 K 4.4714 8.5287 121.4945 58.1765 31.8351 177.4761 41 E 4.2252 8.5064 119.1767 57.4606 29.7846 177.1899 42 E 4.4188 7.9504 115.0968 56.4147 30.0336 177.1240 43 G 3.8177 8.9606 109.1612 45.3680 0.0000 175.1480 44 F 4.5178 7.7606 118.0099 59.5748 38.9375 175.3131 45 I 4.7205 7.3361 112.2780 59.0946 40.4127 175.3922 46 E 4.0282 8.9972 122.8964 57.3321 29.9873 176.7688 47 D 4.9916 7.7417 119.7290 52.6721 41.4010 177.4522 48 F 4.6994 8.9847 112.6871 57.0419 36.8898 175.2114 49 K 3.5669 8.3968 119.6237 55.3757 31.5671 174.8687 50 V 4.5023 8.0776 124.5291 60.0001 31.8228 175.6850 51 E 4.3856 8.3608 132.1671 54.5601 28.0256 176.1880 52 G 4.2581 7.3858 106.9967 44.5820 0.0000 170.1400 53 D 4.7263 8.7856 119.4472 55.6213 42.5382 177.4821 54 T 4.3899 7.9230 110.2375 62.4611 69.4703 174.4529 55 K 4.4677 7.5791 120.1863 53.2465 31.5915 172.6370 56 P 4.1858 0.0000 0.0000 63.2382 32.9691 175.3688 57 E 4.5847 8.7712 126.2900 54.4245 31.0802 174.4108 58 L 4.3618 8.6084 130.6765 54.7197 43.5568 174.9849 59 E 4.8756 9.6226 127.7533 54.4186 32.0298 174.7648 60 L 5.0414 9.2445 126.8139 53.3249 45.3804 175.5353 61 T 4.6816 8.2636 118.7227 61.8088 70.4105 174.6539 62 L 4.6083 8.5608 127.1631 54.4116 42.8581 176.5696 63 K 4.9030 8.2210 118.0375 55.2248 36.0490 175.7622 64 Y 4.9307 8.3915 117.2040 56.7041 43.5384 173.7838 65 F 4.9881 8.8814 123.5294 58.2566 39.6458 180.3311 66 Q 4.3453 9.1488 119.0035 55.4867 27.8749 177.7615 67 G 4.0712 8.8198 116.4370 46.7140 0.0000 172.0647 68 K 4.6651 7.8836 118.9936 54.1226 35.6955 175.3556 69 A 4.4027 8.2187 123.1820 51.1439 20.4547 177.1495 70 V 3.7600 7.8993 116.9084 65.0255 31.8900 176.2027 71 V 4.1234 7.4337 119.6932 61.4571 30.3182 174.7151 72 E 4.1127 8.6649 129.5660 58.9685 29.8706 176.8232 73 S 4.5417 7.5212 110.5372 57.9279 66.2441 174.2946 74 I 4.7655 7.9641 119.4702 60.7752 38.9922 172.9135 75 Q 4.5124 8.4369 125.4887 54.1990 30.8315 175.1434 76 R 4.2959 8.3954 122.4282 56.6212 31.4499 176.9429 77 V 4.0582 7.8672 122.5739 62.5254 33.1577 178.4429 78 S 4.2121 5.9003 108.6340 59.1285 62.8084 172.6478 79 R 4.7793 8.7727 122.3967 53.5977 32.7694 174.2747 80 P 4.2465 0.0000 0.0000 65.7606 31.2076 177.9012 81 G 3.6357 7.9714 106.8005 47.3846 0.0000 173.1621 82 L 4.3506 7.8153 121.9476 53.4941 43.0399 174.4373 83 R 4.2854 8.1283 124.3891 55.2902 31.3518 176.4865 84 I 4.2415 8.7131 122.9756 59.7465 40.3797 173.8881 85 Y 5.2871 8.2844 124.4002 56.0571 40.7997 175.4765 86 K 4.6983 8.5692 121.5452 54.8832 35.7670 177.7876 87 R 3.9291 8.7799 120.7017 57.4497 30.7895 179.8208 88 K 5.1077 7.7925 126.8055 58.7482 30.7108 176.2557 89 D 4.5017 7.9423 117.5335 55.4380 40.8665 176.2918 90 E 4.4431 7.9496 117.8400 55.4583 30.5784 175.3698 91 L 4.0539 7.4472 118.5977 55.0497 41.8234 175.2297 92 P 4.4209 0.0000 0.0000 62.0748 32.1598 175.9546 93 K 4.6515 8.1509 119.3388 53.7442 33.8459 176.1421 94 V 3.4122 8.2316 123.9704 64.2086 32.0219 175.4592 95 M 3.2669 9.4369 122.2898 56.2103 29.4973 178.1162 96 A 3.7453 8.1861 119.5115 52.0883 17.3602 179.9761 97 G 4.7605 7.8286 114.2604 46.6103 0.0000 173.8613 98 L 3.8418 7.4676 120.9939 55.5155 41.9171 177.2767 99 G 4.3400 8.8985 111.0051 45.4495 0.0000 171.8339 100 I 4.7941 8.1913 112.6206 58.6455 41.6043 173.7088 101 A 5.1768 8.6343 122.2336 50.0648 21.6938 176.0751 102 V 4.0386 8.6847 123.4850 63.3425 33.0041 175.4478 103 V 4.7530 9.5479 120.0845 59.7757 36.6496 174.0322 104 S 5.1690 9.3874 118.4650 56.8993 64.4377 173.2624 105 T 5.1999 8.9529 117.3542 59.3641 71.6264 175.3731 106 S 4.0195 8.8441 115.6828 60.4447 63.5012 174.7344 107 K 4.4573 7.5690 119.5741 54.9719 31.9928 175.0191 108 G 3.6915 7.9888 107.1785 44.3656 0.0000 170.6784 109 V 4.7475 7.9882 118.8085 61.8246 32.7542 174.5711 110 M 5.0538 8.5650 128.9688 53.6327 36.3323 174.9827 111 T 5.1394 8.4367 109.9069 60.4304 71.5873 175.5686 112 D 4.3079 9.0998 120.0704 56.9811 40.1409 178.8598 113 R 3.8750 7.9405 120.2810 58.7883 30.4510 177.4235 114 A 4.0003 8.0563 120.4761 54.4615 18.5285 178.9669 115 A 3.9330 8.5321 118.0551 55.3738 18.5550 179.9438 116 R 3.8287 8.6385 117.0313 59.7162 29.9898 178.5758 117 Q 4.0123 7.7733 116.3191 59.0052 28.8741 178.3152 118 A 4.2678 8.2054 118.6706 51.4392 19.5181 176.9692 119 G 3.8486 8.2057 105.5306 45.5511 0.0000 173.1073 120 L 4.5649 7.9289 115.8600 54.4944 44.1022 175.5007 121 G 4.8719 8.1542 108.0578 44.8202 0.0000 171.5807 122 G 4.3915 7.1978 104.4312 45.7299 0.0000 170.2456 123 E 4.9582 8.1350 120.6424 55.6714 31.2426 176.6372 124 I 4.4741 8.3097 121.3185 59.7014 37.5841 176.1097 125 I 3.8623 8.1734 131.1715 63.9595 37.9550 175.5813 126 C 4.4580 7.4727 113.0799 57.8354 32.0111 172.1548 127 Y 5.1701 7.7808 117.7727 57.4139 40.0358 174.9211 128 V 4.5376 8.8927 120.4863 61.6882 36.0460 174.3473 129 A 4.4392 8.2434 126.9458 52.3991 19.4381 175.9725 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 8.19 4.42 0.00 3.87 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 2 M 8.67 3.72 0.00 2.12 2.16 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 2.62 2.62 0.00 3 Q 8.33 3.96 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.97 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 4 D 8.34 4.64 0.00 2.67 2.49 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 0.00 0.00 0.00 0.00 5 P 0.00 4.13 0.00 2.30 2.28 0.00 3.74 0.00 0.00 3.92 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 6 I 7.75 3.64 2.00 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 1.56 0.95 0.88 0.00 0.00 7 A 8.44 4.00 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 8 D 7.92 4.36 0.00 2.73 2.73 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 9 M 8.64 3.68 0.00 2.21 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 2.61 2.64 0.00 10 L 8.25 3.91 0.00 1.79 1.69 0.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.77 3.84 4.41 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 1.28 0.00 0.00 12 R 8.42 3.86 0.00 1.98 1.97 0.00 3.23 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 13 I 8.08 3.67 2.07 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 1.41 0.56 0.87 0.00 0.00 14 R 8.01 3.85 0.00 1.86 2.04 0.00 3.08 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 15 N 8.98 4.56 0.00 2.81 2.86 0.00 0.00 6.97 8.07 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 16 G 7.74 3.56 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 0.00 17 Q 8.34 4.00 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 18 A 7.78 4.02 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.65 4.37 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.66 5.04 0.00 2.77 2.73 0.00 0.00 6.91 8.03 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 21 K 8.17 4.20 0.00 1.99 1.80 0.00 1.84 0.00 0.00 2.01 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.56 7.81 22 A 8.93 4.42 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 23 A 7.94 5.12 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 24 V 8.50 4.51 2.11 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 0.81 0.00 0.00 0.96 0.00 0.00 25 T 9.28 5.36 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 26 M 8.22 4.56 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 27 P 0.00 4.72 0.00 1.96 2.05 0.00 3.66 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 28 S 8.53 4.82 0.00 4.01 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 29 S 8.23 4.73 0.00 3.83 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 30 K 8.97 3.84 0.00 1.81 1.88 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.48 7.81 31 L 7.81 3.91 0.00 1.80 1.66 0.92 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.15 3.83 0.00 2.05 1.90 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.54 7.81 33 V 8.44 3.58 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.00 0.00 0.00 34 A 8.10 3.95 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 35 I 7.76 3.67 2.00 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 1.45 0.87 0.90 0.00 0.00 36 A 8.19 3.98 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 8.29 4.00 0.00 2.70 3.04 0.00 0.00 6.83 7.57 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 38 V 7.43 3.56 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 1.03 0.00 0.00 0.93 0.00 0.00 39 L 8.15 4.13 0.00 1.97 1.82 0.92 0.67 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 K 8.53 4.47 0.00 1.88 1.90 0.00 1.93 0.00 0.00 1.85 0.00 0.00 2.80 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.35 7.81 41 E 8.51 4.23 0.00 1.95 1.93 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 2.29 2.38 0.00 42 E 7.95 4.42 0.00 2.26 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 2.39 2.46 0.00 43 G 8.96 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 44 F 7.76 4.52 0.00 3.28 3.02 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 45 I 7.34 4.72 2.13 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 1.46 0.88 0.97 0.00 0.00 46 E 9.00 4.03 0.00 2.03 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 2.36 2.29 0.00 47 D 7.74 4.99 0.00 3.35 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 48 F 8.98 4.70 0.00 3.22 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 49 K 8.40 3.57 0.00 1.98 2.15 0.00 1.53 0.00 0.00 1.99 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.01 0.85 7.81 50 V 8.08 4.50 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.95 0.00 0.00 51 E 8.36 4.39 0.00 1.88 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 2.27 2.25 0.00 52 G 7.39 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 0.00 0.00 0.00 0.00 53 D 8.79 4.73 0.00 2.66 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 T 7.92 4.39 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 55 K 7.58 4.47 0.00 1.76 1.73 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.42 7.81 56 P 0.00 4.19 0.00 2.08 2.03 0.00 3.58 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 57 E 8.77 4.58 0.00 2.09 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 2.30 2.35 0.00 58 L 8.61 4.36 0.00 1.79 1.65 0.97 0.71 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 59 E 9.62 4.88 0.00 1.91 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 2.20 2.38 0.00 60 L 9.24 5.04 0.00 1.59 1.57 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.26 4.68 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 62 L 8.56 4.61 0.00 1.94 1.64 0.91 1.01 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 63 K 8.22 4.90 0.00 1.68 1.71 0.00 1.89 0.00 0.00 1.86 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.49 7.81 64 Y 8.39 4.93 0.00 3.03 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 65 F 8.88 4.99 0.00 2.91 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.15 4.35 0.00 2.28 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 67 G 8.82 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 68 K 7.88 4.67 0.00 1.82 1.77 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.40 7.81 69 A 8.22 4.40 0.96 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 0.00 0.00 70 V 7.90 3.76 2.11 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 0.85 0.00 0.00 0.93 0.00 0.00 71 V 7.43 4.12 2.02 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 0.73 0.00 0.00 0.91 0.00 0.00 72 E 8.66 4.11 0.00 2.02 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 2.34 2.31 0.00 73 S 7.52 4.54 0.00 3.88 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 74 I 7.96 4.77 1.74 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.35 0.88 0.00 0.00 75 Q 8.44 4.51 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 76 R 8.40 4.30 0.00 1.77 1.75 0.00 3.45 0.00 0.00 3.07 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 77 V 7.87 4.06 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 0.52 0.00 0.00 -0.00 0.00 0.00 78 S 5.90 4.21 0.00 3.93 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 79 R 8.77 4.78 0.00 1.83 1.89 0.00 2.80 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 80 P 0.00 4.25 0.00 2.18 2.23 0.00 3.72 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 81 G 7.97 3.64 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 0.00 0.00 0.00 82 L 7.82 4.35 0.00 1.57 1.46 0.85 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.13 4.29 0.00 1.65 1.37 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 1.65 1.59 0.00 84 I 8.71 4.24 1.69 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 1.14 1.44 0.83 0.00 0.00 85 Y 8.28 5.29 0.00 2.81 2.87 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 86 K 8.57 4.70 0.00 1.79 1.71 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.46 7.81 87 R 8.78 3.93 0.00 1.94 1.98 0.00 3.28 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 88 K 7.79 5.11 0.00 2.02 2.10 0.00 1.51 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.26 1.20 7.81 89 D 7.94 4.50 0.00 2.68 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 90 E 7.95 4.44 0.00 1.92 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 2.22 2.31 0.00 91 L 7.45 4.05 0.00 1.82 1.66 1.06 1.11 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 92 P 0.00 4.42 0.00 2.25 2.16 0.00 3.78 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 93 K 8.15 4.65 0.00 1.83 1.83 0.00 1.17 0.00 0.00 2.28 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.25 1.31 7.81 94 V 8.23 3.41 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 0.95 0.00 0.00 0.88 0.00 0.00 95 M 9.44 3.27 0.00 2.10 2.47 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 2.51 2.48 0.00 96 A 8.19 3.75 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 97 G 7.83 4.76 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 98 L 7.47 3.84 0.00 1.66 1.65 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.90 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.19 4.79 1.96 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 1.40 1.60 1.04 0.00 0.00 101 A 8.63 5.18 1.46 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 0.00 0.00 102 V 8.68 4.04 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 0.92 0.00 0.00 0.95 0.00 0.00 103 V 9.55 4.75 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 0.69 0.00 0.00 1.07 0.00 0.00 104 S 9.39 5.17 0.00 3.85 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 0.00 105 T 8.95 5.20 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 1.24 0.00 0.00 106 S 8.84 4.02 0.00 3.98 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 0.00 107 K 7.57 4.46 0.00 1.83 1.77 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.33 7.81 108 G 7.99 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 0.00 0.00 0.00 109 V 7.99 4.75 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 0.88 0.00 0.00 0.93 0.00 0.00 110 M 8.56 5.05 0.00 1.99 1.96 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 2.50 2.44 0.00 111 T 8.44 5.14 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 1.25 0.00 0.00 112 D 9.10 4.31 0.00 2.88 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 0.00 113 R 7.94 3.87 0.00 1.92 1.96 0.00 3.18 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 114 A 8.06 4.00 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 0.00 115 A 8.53 3.93 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 0.00 116 R 8.64 3.83 0.00 1.99 2.09 0.00 3.12 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 117 Q 7.77 4.01 0.00 2.37 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 118 A 8.21 4.27 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 0.00 119 G 8.21 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 0.00 0.00 0.00 120 L 7.93 4.56 0.00 1.73 1.60 0.98 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.15 4.87 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 0.00 122 G 7.20 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.14 4.96 0.00 2.54 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 2.38 2.45 0.00 124 I 8.31 4.47 1.87 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.43 0.93 0.00 0.00 125 I 8.17 3.86 1.83 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 1.27 0.58 0.86 0.00 0.00 126 C 7.47 4.46 0.00 3.12 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Y 7.78 5.17 0.00 2.94 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 V 8.89 4.54 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.77 0.00 0.00 129 A 8.24 4.44 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00