NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.6587 8.3044 120.2868 55.3185 33.8988 174.1400 3 V 4.0531 9.0100 123.5669 59.7123 32.6620 173.3166 4 W 4.5530 9.0606 135.0000 57.2906 31.8418 174.8361 5 T 4.0137 7.9648 122.0697 61.4083 67.2022 172.3672 6 P 4.5631 0.0000 0.0000 63.0577 32.3013 175.5240 7 V 3.9755 7.4396 119.6958 62.8415 32.6272 175.3693 8 N 4.2671 8.6281 125.3848 54.9983 36.1336 173.7068 9 N 4.8781 7.6169 108.8033 52.9256 40.0776 174.2122 10 K 4.1269 8.3425 116.1847 56.5673 32.7883 176.5985 11 M 4.9703 8.3392 120.7274 53.9292 35.3640 175.4426 12 F 4.6142 8.1891 115.6454 57.2728 40.7101 175.7920 13 E 3.5469 8.0453 121.9658 57.1554 28.2270 174.3610 14 T 3.7544 8.3167 118.0954 66.4135 68.7559 173.9713 15 F 4.5137 9.1345 124.2907 57.6857 36.9255 176.5761 16 S 4.4618 8.3379 114.6895 60.4574 62.9447 174.4840 17 Y 4.3723 8.2955 117.3123 58.0446 38.1478 174.9791 18 L 4.7280 7.5956 120.2314 52.0986 43.8208 174.4772 19 P 4.4811 0.0000 0.0000 61.6535 31.8120 175.0002 20 P 4.2456 0.0000 0.0000 62.9163 31.6615 176.6201 21 L 4.1920 8.3668 123.3533 54.7975 42.2173 177.8271 22 S 4.5423 8.9548 118.7896 57.5031 65.6008 175.1969 23 D 4.3317 8.4975 121.4695 57.4400 40.4531 178.7913 24 E 3.9106 8.0537 119.3747 59.4594 29.6961 178.7857 25 Q 3.9674 7.9056 117.5980 58.7873 28.6547 178.8559 26 I 3.7477 8.0620 121.0747 64.2697 37.1447 178.1827 27 A 4.0502 8.3873 121.7703 55.1779 18.1798 179.5444 28 A 4.1162 8.1154 119.2446 55.4819 18.4305 179.9143 29 Q 4.1499 7.9363 116.3869 59.0988 28.8019 179.1877 30 V 3.7482 7.9819 119.4437 66.1429 31.5928 177.8123 31 D 4.4329 8.4612 118.8331 57.5173 40.4974 178.1389 32 Y 4.2454 8.2615 120.0785 60.6745 38.7839 178.1737 33 I 3.8851 7.8838 120.7134 64.5597 37.3278 178.5648 34 V 3.5210 7.9003 118.6772 66.0046 31.1451 177.8551 35 A 3.9138 8.1642 119.7935 54.6550 18.2542 178.3595 36 N 4.0778 7.0731 112.3429 52.0886 38.6580 175.6346 37 G 3.7667 7.3791 108.2770 46.1608 0.0000 174.0910 38 W 4.9630 7.4825 118.6605 55.8272 30.8308 176.6345 39 I 4.3855 9.0619 123.9266 59.6166 37.4791 173.9942 40 P 4.8662 0.0000 0.0000 63.2477 32.8989 174.8463 41 C 4.9789 8.8560 119.8351 58.6049 35.5891 172.3534 42 L 5.3347 8.6851 123.8630 53.1823 44.6258 175.2020 43 E 5.6236 9.2410 121.1378 54.9208 34.1596 174.5424 44 F 5.5919 9.2317 116.7150 56.0712 42.2935 172.9031 45 A 4.4111 8.1434 119.0464 50.5317 22.5961 176.2755 46 E 4.3729 8.4231 118.2950 55.6719 31.2240 177.9543 47 S 4.4088 9.0020 116.1199 62.3066 62.8933 176.9995 48 D 4.5751 8.1866 117.1806 56.2750 40.6721 177.0899 49 K 4.6348 7.9417 117.6373 56.0549 32.6948 177.1427 50 A 3.8623 7.8755 124.3035 54.4506 18.5034 178.4816 51 Y 4.7300 7.4180 110.9720 55.6883 40.4210 176.1436 52 V 4.4702 8.4284 115.1257 61.6542 32.2417 175.5317 53 S 4.7140 8.3223 115.5317 57.8783 66.0826 173.8656 54 N 5.2171 8.5822 113.7401 52.8932 39.7335 176.2438 55 E 3.9067 8.5870 120.6048 60.1001 29.4788 179.5472 56 S 4.0076 8.6617 114.3072 61.1761 62.8042 176.3659 57 A 2.5800 7.5021 123.1602 53.8210 17.7262 179.1674 58 I 3.5866 7.1237 116.2280 63.3740 38.0804 177.0970 59 R 4.3402 7.4357 116.5651 55.5698 30.4839 176.2872 60 F 4.9402 7.3198 118.2439 56.4765 41.0423 176.3459 61 G 4.1001 8.1590 113.5328 45.9614 0.0000 175.4439 62 S 4.6379 8.4122 113.8088 58.4730 62.1266 174.3363 63 V 4.4787 7.1648 106.8461 61.2037 33.1538 177.5833 64 S 4.5005 8.2513 114.4006 59.2906 63.6690 173.4254 65 C 3.9431 8.0988 118.9851 61.7100 27.9989 173.3503 66 L 3.6088 8.4877 123.8887 55.8124 38.9896 173.4157 67 Y 4.4403 7.4440 118.3389 55.7873 40.8690 174.3120 68 Y 4.8846 7.0943 122.7931 56.7664 42.3643 174.3523 69 D 4.5613 8.9893 123.5187 54.9731 42.0417 177.2188 70 N 4.6442 8.8949 116.5676 53.9508 35.9846 175.9859 71 R 3.9791 7.8946 118.5193 59.1758 30.4325 177.0193 72 Y 4.4412 7.7523 114.8865 57.7229 38.4523 174.7925 73 W 5.0758 8.7067 124.0219 55.3140 32.7883 174.5036 74 T 4.3275 8.2307 117.2536 62.6973 69.4859 174.5760 75 M 4.5669 8.5667 126.3383 55.2373 33.2714 175.1297 76 W 4.8524 9.4135 135.0000 56.0585 31.4842 176.9568 77 K 3.4599 8.5732 128.7518 57.3866 30.7107 178.3705 78 L 4.8977 8.3195 124.1016 52.7953 45.4619 173.8609 79 P 4.3160 0.0000 0.0000 63.2921 32.2640 177.9001 80 M 4.3607 8.7274 123.7645 54.0230 30.1467 175.6235 81 F 4.4819 7.4799 118.4636 58.8897 39.9920 176.3899 82 G 3.9678 9.1505 112.4052 45.7442 0.0000 172.9605 83 C 4.3161 7.9300 120.5715 59.5128 31.8103 173.3256 84 R 4.5594 8.5998 124.0623 55.5493 31.4891 174.4676 85 D 4.8018 7.9143 118.6706 51.2912 42.3020 174.3895 86 P 4.3485 0.0000 0.0000 66.3164 31.0436 178.1333 87 M 4.1270 8.3323 118.4611 58.2741 31.8000 178.6676 88 Q 4.0386 8.1904 118.4715 58.7254 28.8778 178.8363 89 V 3.5993 7.7386 118.7411 66.1841 31.8019 177.8342 90 L 4.0136 7.9006 118.6727 57.8811 41.4149 179.6448 91 R 3.9234 8.0876 118.6127 59.5120 30.0641 178.5103 92 E 4.1617 8.3263 118.4122 59.2526 29.3816 179.3196 93 I 3.5401 7.8246 120.1031 64.2196 37.1006 178.6085 94 V 3.5299 7.8477 119.6334 65.2492 31.3815 177.8862 95 A 3.9178 7.8762 120.4713 55.2704 18.2844 179.0931 96 C 2.0000 7.7196 117.5348 62.0780 30.9171 175.9948 97 T 3.6993 7.5825 111.2477 64.4034 67.9867 176.4153 98 K 3.8683 7.7027 121.8512 59.1800 32.2934 178.4251 99 A 4.0207 7.7265 120.2248 53.5256 19.6736 177.6401 100 F 4.6545 7.8062 116.1583 54.6857 39.0973 173.9174 101 P 4.3471 0.0000 0.0000 64.2418 31.7468 177.9728 102 D 4.6932 8.1066 116.5402 53.7925 41.1995 175.2342 103 A 4.7677 7.3387 121.2722 50.3227 21.7979 176.6413 104 Y 4.2478 8.8035 117.3851 57.5594 39.6171 175.3264 105 V 5.2676 8.8211 122.8460 61.1856 35.3445 174.2929 106 R 4.9738 9.6369 123.6054 54.2944 33.0982 173.6294 107 L 4.8806 8.2391 123.6148 53.8082 43.9547 175.6571 108 V 4.9339 8.7340 118.3013 59.6328 36.7121 174.0694 109 A 4.8629 7.9400 121.9729 50.6396 22.7879 175.3481 110 F 5.1039 9.2430 120.1932 55.7218 42.5332 174.2591 111 D 5.4632 8.6789 121.8107 52.6851 42.8557 176.3099 112 N 4.7721 9.1869 122.7986 53.9412 38.4053 176.3962 113 Q 4.1452 8.9949 119.1068 59.1178 28.9287 177.4508 114 K 4.1366 8.3743 113.4974 56.3281 32.8966 176.7035 115 Q 3.3917 7.9409 117.0574 55.3653 26.9454 172.4658 116 V 4.3337 7.8849 116.6281 60.1232 34.8359 173.2586 117 Q 4.3150 8.8887 123.4514 56.7018 29.2454 175.7312 118 I 4.0548 8.2132 125.3560 61.7266 39.0906 174.3942 119 M 4.5221 6.5589 117.5720 54.0037 34.3121 173.6429 120 G 4.8493 8.1550 111.0191 47.4647 0.0000 171.7056 121 F 4.9236 6.9823 114.7189 55.5299 40.8822 172.6888 122 L 4.4866 8.9009 122.4762 55.4787 42.0347 176.7408 123 V 4.5175 8.9218 117.8379 61.4231 34.3336 175.6876 124 Q 4.4723 7.7306 120.7644 54.4032 32.6295 173.1446 125 R 4.3220 8.0671 125.2419 53.1278 33.2139 173.0327 126 P 4.1208 0.0000 0.0000 62.6641 31.6351 177.2548 127 K 3.9792 8.5536 122.1666 59.2486 32.2385 177.5535 128 S 4.3935 7.9648 110.7230 58.6457 63.6112 174.1520 129 A 4.3323 7.8706 125.7057 53.0269 18.4401 177.5213 130 R 4.6869 8.7613 120.5798 56.0208 31.9798 175.3291 131 D 4.9298 8.6926 115.8176 52.5738 39.7499 175.2255 132 W 5.5184 7.6888 114.7897 53.8503 31.3418 174.1781 133 Q 4.3032 8.3937 117.1353 52.9067 31.4580 174.1796 134 P 4.5420 0.0000 0.0000 62.2949 31.9383 176.9116 135 A 3.9973 8.9832 122.9789 55.6986 18.0998 179.4071 136 N 4.6095 8.1089 109.3079 54.1569 37.0702 175.4474 137 K 4.4406 8.2057 118.4369 56.2517 33.1944 178.1167 138 R 3.5891 7.5756 119.7218 57.8938 30.1040 176.6962 139 S 4.9445 7.0462 107.5873 56.3168 66.1545 174.4142 140 V 3.9851 8.7833 114.7758 61.7300 32.1514 175.5916 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 2 M 8.30 4.66 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 3 V 9.01 4.05 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 0.83 0.00 0.00 0.97 0.00 0.00 4 W 9.06 4.55 0.00 3.43 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 5 T 7.96 4.01 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 0.94 0.00 0.00 6 P 0.00 4.56 0.00 2.23 2.19 0.00 3.78 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 1.93 1.95 0.00 7 V 7.44 3.98 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 0.76 0.00 0.00 0.90 0.00 0.00 8 N 8.63 4.27 0.00 2.97 2.86 0.00 0.00 6.52 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 9 N 7.62 4.88 0.00 2.61 2.67 0.00 0.00 7.30 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 10 K 8.34 4.13 0.00 1.95 1.54 0.00 0.67 0.00 0.00 0.61 0.00 0.00 2.63 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.29 1.43 7.81 11 M 8.34 4.97 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.65 0.00 12 F 8.19 4.61 0.00 3.09 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 13 E 8.05 3.55 0.00 2.14 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 0.00 2.21 2.14 0.00 14 T 8.32 3.75 4.19 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 0.04 0.00 0.00 15 F 9.13 4.51 0.00 3.27 3.06 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 16 S 8.34 4.46 0.00 4.15 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 0.00 17 Y 8.30 4.37 0.00 3.05 3.19 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 18 L 7.60 4.73 0.00 1.79 1.60 0.84 1.09 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 19 P 0.00 4.48 0.00 2.04 2.01 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 20 P 0.00 4.25 0.00 2.06 2.03 0.00 3.73 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 2.13 2.21 0.00 21 L 8.37 4.19 0.00 1.53 1.49 0.71 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.95 4.54 0.00 4.01 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 23 D 8.50 4.33 0.00 2.70 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 24 E 8.05 3.91 0.00 2.02 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 2.35 2.39 0.00 25 Q 7.91 3.97 0.00 2.22 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 26 I 8.06 3.75 2.08 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 1.57 0.76 1.10 0.00 0.00 27 A 8.39 4.05 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 28 A 8.12 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 7.94 4.15 0.00 2.50 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.76 0.00 0.00 0.00 0.00 0.00 2.48 2.05 0.00 30 V 7.98 3.75 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 1.14 0.00 0.00 1.10 0.00 0.00 31 D 8.46 4.43 0.00 2.98 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 32 Y 8.26 4.25 0.00 3.20 3.30 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 33 I 7.88 3.89 2.16 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.98 1.06 0.00 0.00 34 V 7.90 3.52 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 1.02 0.00 0.00 1.02 0.00 0.00 35 A 8.16 3.91 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 36 N 7.07 4.08 0.00 1.44 1.42 0.00 0.00 7.02 7.52 0.00 0.00 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 G 7.38 3.77 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 0.00 0.00 0.00 38 W 7.48 4.96 0.00 3.35 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 39 I 9.06 4.39 2.10 0.00 0.00 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 1.52 0.92 0.67 0.00 0.00 40 P 0.00 4.87 0.00 2.12 2.20 0.00 3.91 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 2.08 1.99 0.00 41 C 8.86 4.98 0.00 3.07 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.69 5.33 0.00 1.85 1.59 0.82 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 43 E 9.24 5.62 0.00 2.08 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 0.00 2.38 2.32 0.00 44 F 9.23 5.59 0.00 2.97 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 45 A 8.14 4.41 -0.15 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 46 E 8.42 4.37 0.00 2.18 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 2.28 2.29 0.00 47 S 9.00 4.41 0.00 4.02 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 48 D 8.19 4.58 0.00 2.68 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 49 K 7.94 4.63 0.00 1.47 1.67 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.41 7.81 50 A 7.88 3.86 0.50 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 51 Y 7.42 4.73 0.00 2.87 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 52 V 8.43 4.47 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 0.57 0.00 0.00 0.77 0.00 0.00 53 S 8.32 4.71 0.00 4.08 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 54 N 8.58 5.22 0.00 2.76 2.85 0.00 0.00 6.79 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 55 E 8.59 3.91 0.00 2.06 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 0.00 2.43 2.51 0.00 56 S 8.66 4.01 0.00 3.94 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 57 A 7.50 2.58 1.14 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 0.00 0.00 58 I 7.12 3.59 1.78 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 1.48 0.81 0.89 0.00 0.00 59 R 7.44 4.34 0.00 1.92 2.01 0.00 3.20 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 60 F 7.32 4.94 0.00 3.02 2.78 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 61 G 8.16 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 62 S 8.41 4.64 0.00 3.86 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 63 V 7.16 4.48 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 0.67 0.00 0.00 0.52 0.00 0.00 64 S 8.25 4.50 0.00 4.11 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 0.00 65 C 8.10 3.94 0.00 2.96 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 66 L 8.49 3.61 0.00 1.76 1.75 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 7.44 4.44 0.00 2.91 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 68 Y 7.09 4.88 0.00 2.81 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 69 D 8.99 4.56 0.00 2.77 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 70 N 8.89 4.64 0.00 3.05 3.25 0.00 0.00 6.99 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 71 R 7.89 3.98 0.00 1.52 1.71 0.00 3.09 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 72 Y 7.75 4.44 0.00 3.04 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 73 W 8.71 5.08 0.00 3.06 3.19 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 74 T 8.23 4.33 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 0.95 0.00 0.00 75 M 8.57 4.57 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.78 0.00 76 W 9.41 4.85 0.00 3.61 3.28 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 77 K 8.57 3.46 0.00 1.67 0.74 0.00 1.71 0.00 0.00 1.53 0.00 0.00 2.73 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.78 0.21 7.81 78 L 8.32 4.90 0.00 1.59 1.56 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.32 0.00 0.68 1.80 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.16 0.00 80 M 8.73 4.36 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.54 0.00 81 F 7.48 4.48 0.00 3.11 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 82 G 9.15 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 83 C 7.93 4.32 0.00 3.07 2.97 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 84 R 8.60 4.56 0.00 1.79 1.85 0.00 3.21 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 85 D 7.91 4.80 0.00 2.72 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.35 0.00 2.33 2.34 0.00 3.77 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 2.09 2.09 0.00 87 M 8.33 4.13 0.00 2.09 2.32 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 2.63 2.74 0.00 88 Q 8.19 4.04 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 89 V 7.74 3.60 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 1.09 0.00 0.00 0.97 0.00 0.00 90 L 7.90 4.01 0.00 1.90 1.72 0.94 0.91 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 91 R 8.09 3.92 0.00 2.20 2.01 0.00 3.12 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 92 E 8.33 4.16 0.00 2.27 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 2.60 2.66 0.00 93 I 7.82 3.54 2.00 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 1.33 0.74 0.83 0.00 0.00 94 V 7.85 3.53 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 1.13 0.00 0.00 0.92 0.00 0.00 95 A 7.88 3.92 1.57 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 0.00 0.00 96 C 7.72 2.00 0.00 1.23 2.20 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 97 T 7.58 3.70 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 1.13 0.00 0.00 98 K 7.70 3.87 0.00 1.78 1.93 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.39 7.81 99 A 7.73 4.02 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 0.00 100 F 7.81 4.65 0.00 2.82 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 0.00 101 P 0.00 4.35 0.00 2.12 2.11 0.00 3.30 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.88 0.00 102 D 8.11 4.69 0.00 2.68 2.68 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 0.00 103 A 7.34 4.77 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 0.00 104 Y 8.80 4.25 0.00 2.49 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 0.00 105 V 8.82 5.27 2.04 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 0.93 0.00 0.00 0.96 0.00 0.00 106 R 9.64 4.97 0.00 1.80 1.91 0.00 2.33 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.37 0.00 107 L 8.24 4.88 0.00 1.48 0.80 0.90 0.97 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 0.00 108 V 8.73 4.93 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 0.53 0.00 0.00 0.53 0.00 0.00 109 A 7.94 4.86 1.16 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 0.00 0.00 110 F 9.24 5.10 0.00 2.98 2.92 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 0.00 0.00 0.00 111 D 8.68 5.46 0.00 2.40 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 0.00 112 N 9.19 4.77 0.00 2.93 3.04 0.00 0.00 6.33 7.39 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 0.00 113 Q 8.99 4.15 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.92 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 114 K 8.37 4.14 0.00 1.75 1.86 0.00 1.90 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.46 7.81 115 Q 7.94 3.39 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 116 V 7.88 4.33 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 0.50 0.00 0.00 0.92 0.00 0.00 117 Q 8.89 4.32 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.91 0.00 0.00 0.00 0.00 0.00 2.15 2.06 0.00 118 I 8.21 4.05 1.13 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.08 -0.39 0.00 0.00 119 M 6.56 4.52 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.75 0.00 120 G 8.16 4.85 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 0.00 121 F 6.98 4.92 0.00 3.20 3.26 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 0.00 122 L 8.90 4.49 0.00 1.58 1.60 0.75 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.92 4.52 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 0.62 0.00 0.00 0.87 0.00 0.00 124 Q 7.73 4.47 0.00 1.97 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.87 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 125 R 8.07 4.32 0.00 1.38 1.30 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.16 0.00 126 P 0.00 4.12 0.00 2.13 2.10 0.00 2.20 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.48 0.00 127 K 8.55 3.98 0.00 1.71 1.89 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.44 7.81 128 S 7.96 4.39 0.00 4.06 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 0.00 129 A 7.87 4.33 1.61 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 0.00 130 R 8.76 4.69 0.00 1.80 1.86 0.00 3.31 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.55 0.00 131 D 8.69 4.93 0.00 2.92 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 0.00 132 W 7.69 5.52 0.00 3.68 3.23 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 0.00 133 Q 8.39 4.30 0.00 1.98 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.06 0.00 0.00 0.00 0.00 0.00 2.37 2.04 0.00 134 P 0.00 4.54 0.00 2.38 2.08 0.00 3.46 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.79 0.00 135 A 8.98 4.00 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 0.00 136 N 8.11 4.61 0.00 2.82 2.95 0.00 0.00 5.82 7.13 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 0.00 137 K 8.21 4.44 0.00 1.77 1.65 0.00 1.48 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.22 1.30 7.81 138 R 7.58 3.59 0.00 1.41 0.66 0.00 3.09 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 139 S 7.05 4.94 0.00 4.05 3.95 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 0.00 140 V 8.78 3.99 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 0.71 0.00 0.00 0.93 0.00 0.00