NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7321 8.3393 109.7369 42.7547 0.0000 171.8957 2 S 3.3067 8.9767 122.6176 57.4093 63.8550 170.9644 3 S 4.5977 8.7832 122.6824 56.7082 64.5862 175.2830 4 G 3.9615 8.4383 114.7421 44.2433 0.0000 173.0633 5 S 4.5839 8.2965 117.2237 57.1023 63.7978 173.1583 6 S 4.7293 8.1160 118.1051 56.0677 65.3997 173.9152 7 G 3.6305 8.0678 109.9099 49.1767 0.0000 173.9893 8 M 4.4953 7.3607 129.2410 53.0442 34.1135 173.1754 9 P 4.7723 0.0000 0.0000 62.3308 33.1568 174.7562 10 Y 4.4860 7.8497 114.6229 57.2781 41.9864 172.9831 11 V 3.4444 8.5281 123.9193 62.5824 32.0413 170.0769 12 D 4.2025 8.5177 121.8415 54.8877 43.9865 175.3965 13 R 3.7998 8.5061 118.3113 56.5786 27.1920 176.9712 14 Q 4.0368 7.9964 116.4570 57.6104 28.9881 174.5068 15 N 4.1774 8.1753 122.7298 51.8778 38.8689 173.8614 16 R 4.4676 8.3867 122.7068 56.0486 31.0751 175.2285 17 I 4.5315 8.0581 123.9668 59.2066 41.6473 173.4693 18 C 5.3319 8.0657 120.2139 55.0278 33.3534 173.9374 19 G 4.0867 6.4111 104.4438 45.9605 0.0000 170.3837 20 F 5.2930 8.0868 118.5975 56.0718 41.7402 175.0223 21 L 4.6434 8.5250 123.4655 52.9694 45.4926 175.6399 22 D 4.7817 8.2536 118.8407 52.6033 43.1186 174.4565 23 I 4.4046 8.1045 124.2858 59.6709 39.6405 174.1097 24 E 4.2051 8.7681 130.4164 56.1924 29.6937 175.8012 25 D 4.3950 8.4610 127.0441 55.0391 41.6108 177.5771 26 N 4.4285 9.1745 122.8743 55.4572 39.0872 175.1042 27 E 4.6763 9.1712 119.5633 54.3642 29.7643 176.1545 28 N 4.6005 6.8625 120.2082 53.6968 43.2901 176.5352 29 S 4.5954 9.5870 120.9209 54.5828 61.8710 173.2404 30 G 4.1476 7.0631 120.3352 45.9489 0.0000 171.0647 31 K 4.1657 7.1557 122.7208 55.6707 33.4217 175.8087 32 F 5.1865 8.7944 125.2327 55.7171 41.9506 175.1663 33 L 4.4563 9.3965 123.9470 53.4518 42.7553 176.3005 34 R 4.7083 8.6984 126.1216 56.0221 30.2455 175.4786 35 R 5.0519 8.9514 124.7115 54.5553 35.2941 174.6554 36 Y 4.9746 10.0559 123.5010 56.1141 39.0894 174.3395 37 F 4.8219 8.8946 125.7917 57.3542 40.5239 174.9651 38 I 4.9129 9.0066 122.9444 59.5350 41.0021 174.6942 39 L 4.3295 9.5711 131.8749 54.9035 42.6451 175.0857 40 D 4.9919 8.4961 126.5041 52.0462 40.2403 177.7440 41 T 3.9986 8.6412 115.0123 64.3812 69.5582 176.0397 42 Q 4.0569 8.2034 119.8936 58.6944 28.8085 177.5686 43 A 4.0599 7.9463 118.5661 52.6537 19.1084 176.4989 44 N 4.1990 8.0233 113.3841 54.3233 37.8103 172.8254 45 C 5.1185 7.9733 111.3549 58.2835 33.9109 172.7358 46 L 4.8208 9.4987 123.4386 53.4429 44.0133 174.9880 47 L 4.3837 8.3301 124.5696 52.2173 45.5372 175.2747 48 W 4.8627 6.9366 121.0261 54.7428 29.9862 174.2372 49 Y 4.9260 9.0608 122.4553 56.0779 40.1224 176.7148 50 M 4.2866 9.0965 121.9484 58.8370 32.1991 176.1934 51 D 4.9517 7.9779 114.2914 52.5451 45.4038 174.1285 52 N 3.7558 8.4809 116.6685 53.3134 38.4828 174.5483 53 P 4.2959 0.0000 0.0000 64.6200 31.8860 178.0799 54 Q 3.7591 7.8734 117.2502 57.7895 29.0048 176.2788 55 N 4.6581 7.4828 113.6601 53.9489 39.7302 175.4994 56 L 4.2543 7.0187 116.8002 54.2234 43.0294 175.5108 57 A 4.7972 8.1822 121.0890 50.4015 21.1308 178.0319 58 V 3.6527 8.6295 121.0957 64.8817 31.1277 176.9105 59 G 3.8847 7.9243 107.2055 45.6625 0.0000 173.0083 60 A 4.6413 7.9442 124.0490 50.6830 21.3429 176.1077 61 G 4.1113 8.0986 105.0737 45.3888 0.0000 171.9560 62 A 4.6150 8.1283 120.9124 50.0095 21.0972 178.5177 63 V 3.7508 7.7678 113.5709 63.9631 31.9491 176.4348 64 G 3.8595 6.2531 105.6987 45.4702 0.0000 172.3671 65 S 3.9612 7.6513 113.9456 56.5160 66.8721 173.8250 66 L 4.5377 8.9667 120.1759 53.2946 45.1990 176.0878 67 Q 4.4155 8.9085 124.3349 55.5851 28.1815 178.1217 68 L 4.0634 8.5507 123.3182 57.6287 41.8923 179.2769 69 T 3.8536 7.6375 112.1883 64.7262 67.0521 174.3866 70 Y 4.5904 7.7496 119.1631 60.3066 38.5278 175.4143 71 I 4.0020 6.9578 119.5260 62.1983 37.9540 175.4942 72 S 4.6774 10.0898 118.8131 59.6172 65.6292 174.5111 73 K 4.6356 7.8068 118.6232 54.8510 35.9633 175.2825 74 V 4.6312 8.5252 125.2283 61.3424 33.1791 174.0456 75 S 4.9448 8.5759 122.2387 55.8511 66.1924 172.6441 76 I 4.3896 8.3311 123.4452 60.8317 37.5443 176.4925 77 A 4.5045 8.3745 129.1671 52.5167 18.9470 176.0222 78 T 4.6838 8.2074 105.7748 59.4311 71.8927 172.7148 79 P 4.4387 0.0000 0.0000 63.8087 31.4546 176.8615 80 K 4.3941 7.8149 117.3020 56.8031 33.2598 176.2723 81 Q 4.5500 7.8607 115.4659 56.9857 30.5748 177.1900 82 K 4.2669 7.6987 118.1847 54.5958 33.8423 174.5015 83 P 4.3656 0.0000 0.0000 62.7579 33.2767 178.2239 84 K 4.2095 8.7516 117.7273 57.3642 29.2014 175.6498 85 T 4.3302 7.2233 108.7116 59.2686 70.3217 171.8052 86 P 4.0340 0.0000 0.0000 64.5982 32.1045 177.4229 87 F 4.8475 6.5636 120.9782 55.1705 38.0397 172.5953 88 C 5.0128 7.9751 117.8435 57.5082 31.9923 173.0431 89 F 5.2902 7.8873 118.2864 54.9884 40.8540 174.3680 90 V 5.2313 9.1639 121.0507 60.7005 33.8576 174.6666 91 I 4.5359 8.6542 129.3958 60.6592 37.6100 174.5338 92 N 5.1310 9.7803 126.9675 52.3828 39.3445 173.7106 93 A 5.1345 8.0959 127.9170 50.5541 19.8051 176.0898 94 L 4.0121 8.3945 112.4383 58.7170 41.9436 180.0126 95 S 4.5045 7.4322 111.0717 57.7023 62.7566 173.5800 96 Q 4.7523 8.0115 116.8483 53.4562 33.3664 174.7122 97 R 4.6755 7.7372 115.8581 55.2619 31.7581 174.2146 98 Y 4.0885 8.5836 122.7234 57.0950 39.8226 174.8212 99 F 5.0147 8.5739 123.2034 56.3583 40.1938 174.8212 100 L 5.0294 7.8761 122.1718 52.6289 45.7374 175.4449 101 Q 4.6341 8.0331 120.8752 54.2402 31.9629 174.2803 102 A 4.8175 7.9683 126.0292 50.2618 21.5918 176.3383 103 N 4.4152 9.1304 116.3853 55.0843 39.1975 176.3517 104 D 4.6881 7.3605 116.8292 51.2122 42.5928 176.0342 105 Q 3.4511 7.4940 117.5642 59.1978 28.7890 177.7797 106 K 4.0017 7.8210 119.9916 58.4588 32.0909 178.0548 107 D 4.3943 8.1168 116.5541 58.3101 41.3161 178.3395 108 L 4.2585 7.8262 119.8987 58.4128 41.7890 178.7050 109 K 3.8605 8.5936 117.5312 60.1107 31.7640 178.5833 110 D 4.6607 8.8451 118.7139 57.9203 40.3274 179.0543 111 W 4.1047 8.8908 118.9957 60.1774 28.9263 178.4501 112 V 3.5322 8.2182 117.9279 66.3948 31.1625 178.0405 113 E 4.0501 9.0868 118.7220 59.4016 29.3453 178.9335 114 A 3.9336 9.0935 121.1400 55.4570 18.5056 179.7134 115 L 3.9846 9.2659 117.3360 57.2228 41.8091 178.6576 116 N 4.9080 8.3313 117.3109 53.5762 38.6389 176.7960 117 Q 4.2418 7.6499 118.9172 57.9714 29.5608 177.5682 118 A 4.0606 8.5805 120.8780 54.4686 18.6632 179.4299 119 S 4.3244 7.6545 112.6095 61.2483 63.4078 176.1533 120 K 4.2591 7.8125 119.0116 56.1580 31.7053 177.4009 121 S 3.6138 8.5136 114.4049 59.0796 61.8357 174.2160 122 G 3.7430 7.5061 109.5965 45.9983 0.0000 173.6715 123 P 4.3962 0.0000 0.0000 65.6014 31.8399 176.4114 124 S 4.5897 7.4732 112.0773 57.1425 66.8680 173.3503 125 S 4.3978 8.2830 116.5827 58.8663 64.0074 174.5883 126 G 3.9988 8.7733 110.7929 45.9141 0.0000 173.2765 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 G 8.34 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 0.00 0.00 0.00 2 S 8.98 3.31 0.00 4.22 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 3 S 8.78 4.60 0.00 3.87 3.84 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 4 G 8.44 3.96 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 0.00 5 S 8.30 4.58 0.00 3.84 3.78 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 6 S 8.12 4.73 0.00 3.85 3.72 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 7 G 8.07 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.36 4.50 0.00 1.99 2.04 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 2.49 0.00 9 P 0.00 4.77 0.00 2.22 2.15 0.00 3.70 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 1.98 1.99 0.00 10 Y 7.85 4.49 0.00 2.85 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 11 V 8.53 3.44 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 0.69 0.00 0.00 1.01 0.00 0.00 12 D 8.52 4.20 0.00 2.61 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 13 R 8.51 3.80 0.00 2.00 1.97 0.00 3.24 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 14 Q 8.00 4.04 0.00 2.13 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 5.98 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 15 N 8.18 4.18 0.00 2.94 2.82 0.00 0.00 6.90 7.64 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 16 R 8.39 4.47 0.00 1.81 1.79 0.00 3.08 0.00 0.00 4.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 17 I 8.06 4.53 1.45 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 0.17 0.85 -0.19 0.00 0.00 18 C 8.07 5.33 0.00 2.57 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 19 G 6.41 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 0.00 0.00 0.00 20 F 8.09 5.29 0.00 3.09 3.08 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 21 L 8.52 4.64 0.00 0.27 0.84 -0.81 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.25 4.78 0.00 2.35 2.52 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 0.00 0.00 0.00 0.00 23 I 8.10 4.40 1.67 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.35 0.60 0.00 0.00 24 E 8.77 4.21 0.00 2.18 1.92 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 2.21 1.47 0.00 25 D 8.46 4.40 0.00 2.78 2.50 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 26 N 9.17 4.43 0.00 2.79 2.88 0.00 0.00 7.10 7.82 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 27 E 9.17 4.68 0.00 2.15 1.92 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 2.25 2.25 0.00 28 N 6.86 4.60 0.00 2.69 2.64 0.00 0.00 6.88 7.21 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 29 S 9.59 4.60 0.00 3.79 3.75 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 30 G 7.06 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 31 K 7.16 4.17 0.00 1.76 1.59 0.00 1.66 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.46 7.81 32 F 8.79 5.19 0.00 2.86 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 33 L 9.40 4.46 0.00 1.49 1.67 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.70 4.71 0.00 1.90 1.98 0.00 3.22 0.00 0.00 3.36 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.75 0.00 35 R 8.95 5.05 0.00 2.03 2.22 0.00 3.66 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.96 0.00 36 Y 10.06 4.97 0.00 2.90 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 37 F 8.89 4.82 0.00 2.59 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.01 4.91 2.25 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.95 1.01 0.00 0.00 39 L 9.57 4.33 0.00 1.90 1.62 1.15 1.32 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 40 D 8.50 4.99 0.00 2.82 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 41 T 8.64 4.00 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 42 Q 8.20 4.06 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.15 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 43 A 7.95 4.06 1.39 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 44 N 8.02 4.20 0.00 2.98 2.80 0.00 0.00 6.71 6.88 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 45 C 7.97 5.12 0.00 2.78 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 46 L 9.50 4.82 0.00 1.63 1.64 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.33 4.38 0.00 1.48 0.79 1.11 0.36 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 48 W 6.94 4.86 0.00 2.70 1.74 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 49 Y 9.06 4.93 0.00 3.23 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 50 M 9.10 4.29 0.00 2.14 2.31 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 2.75 2.75 0.00 51 D 7.98 4.95 0.00 2.71 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 52 N 8.48 3.76 0.00 2.59 2.64 0.00 0.00 6.44 7.84 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 53 P 0.00 4.30 0.00 1.96 1.65 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.61 0.00 54 Q 7.87 3.76 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.94 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 55 N 7.48 4.66 0.00 2.77 2.85 0.00 0.00 6.99 9.18 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 56 L 7.02 4.25 0.00 1.58 1.66 1.01 0.75 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 57 A 8.18 4.80 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 58 V 8.63 3.65 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 0.82 0.00 0.00 0.93 0.00 0.00 59 G 7.92 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 60 A 7.94 4.64 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 61 G 8.10 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 0.00 0.00 0.00 0.00 62 A 8.13 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.77 3.75 2.23 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 0.73 0.00 0.00 1.27 0.00 0.00 64 G 6.25 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 0.00 0.00 0.00 65 S 7.65 3.96 0.00 3.56 3.33 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 66 L 8.97 4.54 0.00 1.66 1.64 0.38 0.98 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 67 Q 8.91 4.42 0.00 1.27 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.32 6.84 0.00 0.00 0.00 0.00 0.00 2.47 2.35 0.00 68 L 8.55 4.06 0.00 1.92 1.72 0.98 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 69 T 7.64 3.85 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 0.39 0.00 0.00 70 Y 7.75 4.59 0.00 3.26 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 71 I 6.96 4.00 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.48 0.99 0.00 0.00 72 S 10.09 4.68 0.00 3.77 3.89 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 73 K 7.81 4.64 0.00 1.81 1.62 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.48 7.81 74 V 8.53 4.63 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 0.87 0.00 0.00 1.02 0.00 0.00 75 S 8.58 4.94 0.00 3.91 3.74 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 76 I 8.33 4.39 1.94 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.01 1.02 0.00 0.00 77 A 8.37 4.50 1.39 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 78 T 8.21 4.68 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 1.24 0.00 0.00 79 P 0.00 4.44 0.00 2.16 2.15 0.00 3.73 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 1.96 1.95 0.00 80 K 7.81 4.39 0.00 1.75 1.88 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.42 7.81 81 Q 7.86 4.55 0.00 2.07 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.22 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 82 K 7.70 4.27 0.00 0.79 1.12 0.00 1.47 0.00 0.00 1.54 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.61 0.21 7.81 83 P 0.00 4.37 0.00 2.15 2.25 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.14 0.00 84 K 8.75 4.21 0.00 1.87 1.91 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.35 7.81 85 T 7.22 4.33 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 1.11 0.00 0.00 86 P 0.00 4.03 0.00 0.49 1.59 0.00 3.47 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.52 0.00 87 F 6.56 4.85 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.98 5.01 0.00 2.71 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 89 F 7.89 5.29 0.00 2.94 3.20 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 90 V 9.16 5.23 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 1.22 0.00 0.00 1.27 0.00 0.00 91 I 8.65 4.54 2.14 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.41 1.07 0.00 0.00 92 N 9.78 5.13 0.00 2.81 2.75 0.00 0.00 6.40 5.61 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 93 A 8.10 5.13 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 94 L 8.39 4.01 0.00 1.65 1.78 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 95 S 7.43 4.50 0.00 3.78 3.74 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 96 Q 8.01 4.75 0.00 1.85 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.43 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 97 R 7.74 4.68 0.00 1.39 1.75 0.00 2.21 0.00 0.00 3.21 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.30 0.00 98 Y 8.58 4.09 0.00 2.93 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 99 F 8.57 5.01 0.00 2.97 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 0.00 100 L 7.88 5.03 0.00 0.27 0.78 0.87 0.28 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 0.00 101 Q 8.03 4.63 0.00 1.65 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.41 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 102 A 7.97 4.82 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 0.00 103 N 9.13 4.42 0.00 2.81 2.86 0.00 0.00 6.98 8.28 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 0.00 104 D 7.36 4.69 0.00 2.61 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 0.00 105 Q 7.49 3.45 0.00 1.83 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 7.05 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 106 K 7.82 4.00 0.00 1.78 1.73 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.43 7.81 107 D 8.12 4.39 0.00 3.15 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 0.00 108 L 7.83 4.26 0.00 1.97 1.94 1.15 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.59 3.86 0.00 2.04 1.89 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.71 7.81 110 D 8.85 4.66 0.00 2.87 2.52 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 0.00 0.00 0.00 0.00 111 W 8.89 4.10 0.00 3.56 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.22 3.53 2.26 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 0.84 0.00 0.00 0.99 0.00 0.00 113 E 9.09 4.05 0.00 2.06 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 2.33 2.33 0.00 114 A 9.09 3.93 1.21 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 0.00 0.00 0.00 115 L 9.27 3.98 0.00 1.82 1.73 0.47 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 116 N 8.33 4.91 0.00 2.89 2.85 0.00 0.00 7.39 7.74 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 0.00 117 Q 7.65 4.24 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 118 A 8.58 4.06 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 0.00 119 S 7.65 4.32 0.00 4.23 4.18 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 0.00 120 K 7.81 4.26 0.00 2.07 1.89 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.64 7.81 121 S 8.51 3.61 0.00 3.90 3.89 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 0.00 122 G 7.51 3.74 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 0.00 0.00 0.00 123 P 0.00 4.40 0.00 2.17 2.18 0.00 3.84 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 124 S 7.47 4.59 0.00 3.82 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 0.00 125 S 8.28 4.40 0.00 3.96 3.84 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 0.00 126 G 8.77 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00