NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 F 5.3507 8.1300 115.1757 56.4496 39.8781 176.8477 13 V 3.4460 8.0453 122.7069 66.8007 31.1835 174.8330 14 A 4.0029 8.7566 120.1153 55.4324 18.9296 178.5178 15 E 4.0915 8.2492 116.5116 59.6441 29.5674 179.5222 16 L 4.0672 8.0879 118.7535 57.6694 41.5279 179.1863 17 N 4.4034 8.2523 116.5438 56.0766 38.1821 176.7332 18 N 4.4354 7.7733 117.7570 55.5760 39.2499 175.8368 19 L 4.5202 7.7104 119.1797 53.3319 42.0041 176.0868 20 L 4.2510 7.0302 120.5580 56.3648 41.8760 177.8596 21 G 3.9639 9.6487 112.9782 45.1524 0.0000 173.2581 22 R 4.6433 7.7983 118.6564 54.3174 33.0807 175.0777 23 E 4.7503 8.5544 121.5764 56.4257 30.7658 175.7247 24 V 4.6201 9.0834 118.3416 60.2461 37.2832 173.1059 25 Q 5.1120 8.9137 122.3420 54.4015 32.0754 174.1756 26 V 4.7461 9.1480 125.7421 61.1612 34.7238 174.0492 27 V 4.5787 8.4944 128.4731 61.6486 33.0191 174.9577 28 L 5.3339 8.9044 128.7153 53.3642 43.6669 178.0003 29 S 4.3995 9.0094 115.5227 60.1917 63.2798 174.7188 30 N 4.6156 8.1269 117.5862 52.9485 37.4911 175.7179 31 G 4.0286 8.0305 107.6533 45.3415 0.0000 174.0287 32 E 4.3782 7.9400 118.8749 56.0001 31.6566 175.7312 33 V 4.8431 7.9721 120.2607 61.5486 35.0319 173.5434 34 Y 4.8955 9.1792 125.4791 55.9417 41.2854 174.5383 35 K 4.9604 8.7334 124.2217 54.6665 35.7035 175.5459 36 G 4.2312 8.2608 112.3412 46.1311 0.0000 171.8291 37 V 4.3894 7.6191 119.6705 62.4080 32.9072 175.4975 38 L 4.3154 9.2355 130.7473 55.6043 42.2033 176.2722 39 H 4.3924 9.0962 126.9078 57.7668 31.3557 174.9908 40 A 4.7084 7.5647 117.3177 50.7693 22.5303 175.4732 41 V 4.8889 8.3768 120.5347 61.2502 34.8364 174.3530 42 D 5.0316 8.3679 126.5348 51.0314 41.9923 176.6451 43 N 4.2779 8.6508 115.7615 56.4502 38.3950 176.2798 44 Q 3.9058 7.9715 113.9991 55.4877 28.9813 175.6790 45 L 3.7782 8.0732 117.3174 55.6976 39.4495 174.5107 46 N 4.9238 8.6246 116.0497 53.5455 40.1475 174.3323 47 I 4.9433 8.6985 120.7111 59.7289 41.9042 174.4060 48 V 4.6958 8.8397 126.0367 61.0318 34.0500 174.1195 49 L 5.1960 8.6619 127.3038 52.8892 45.0260 175.1384 50 A 4.7766 8.8714 124.9493 50.8217 21.1457 176.7385 51 N 4.4780 8.2102 118.2509 54.5450 36.9567 173.7978 52 A 5.8065 8.1659 119.0094 49.9241 22.7350 177.4578 53 S 5.7660 8.7421 112.7561 56.0273 67.4295 172.8835 54 N 5.4694 8.1003 118.0355 50.2196 39.8014 175.4654 55 K 3.8953 8.4214 116.8727 59.4939 32.1490 178.2678 56 A 4.0741 7.8208 118.6755 52.5302 18.1144 178.2809 57 G 3.9490 8.0287 104.8561 45.3652 0.0000 174.3524 58 E 4.0074 7.7924 119.8493 56.2859 30.5960 175.7731 59 K 5.0531 7.9949 123.7474 54.7181 35.5995 175.0663 60 F 4.9468 9.4693 123.6719 55.7411 43.2465 175.2391 61 N 4.4417 9.1714 120.9241 56.5039 39.9573 174.8450 62 R 4.9025 7.8326 115.0233 54.3088 34.5266 174.9706 63 V 3.9899 8.3608 122.4797 61.0184 34.5374 174.0754 64 F 4.8872 8.7477 126.9654 56.4611 40.0433 174.9222 65 I 4.5012 8.7006 130.2226 60.4178 39.9655 176.2802 *67 Y 4.7721 8.4876 119.1328 58.1178 39.7714 177.5570 68 R 3.5662 7.1064 118.0276 58.5187 30.3012 176.6900 69 Y 4.3283 7.6617 113.2413 57.7666 38.5878 174.5439 70 I 4.4089 7.5961 122.2995 61.0265 37.3436 175.9704 71 V 4.0808 8.9797 128.8056 65.3856 32.0088 175.4104 72 H 4.9747 7.7603 113.3102 54.8118 31.9304 171.7459 73 I 5.0895 8.2387 119.0490 59.6514 40.0812 174.7612 74 D 5.0450 9.1872 126.9069 52.4379 43.8146 175.1300 75 S 5.1495 8.6711 116.7476 56.6582 65.1433 173.5761 76 T 4.4933 8.6636 113.8689 61.3100 69.4367 173.4853 77 E 4.5829 7.6012 120.8008 54.9770 31.6505 175.4398 78 R 4.3687 8.2956 119.8443 54.6885 31.2280 176.4820 79 R 4.3966 8.2035 122.4321 53.7523 31.3116 175.2565 80 I 3.4396 8.1786 122.8177 61.9808 37.7132 175.0574 81 D 4.9992 8.6900 123.3823 52.3649 44.5337 176.1014 *83 R 3.7578 8.3200 117.3475 56.0068 32.0677 177.9218 84 E 3.9513 8.1434 118.1475 59.1446 29.5512 178.6025 85 F 3.3849 8.0653 120.2468 60.9930 39.3337 176.9749 86 A 3.9708 7.8684 119.8543 54.9890 17.9609 179.6166 87 K 3.8996 7.6892 116.3586 59.6778 32.2686 179.3025 88 Q 4.0209 8.0093 118.1386 58.7581 28.5152 178.5676 89 A 3.8817 7.9012 122.2610 55.0694 18.2103 179.1883 90 E 3.8023 8.1420 117.7949 59.3768 29.4250 178.9204 91 K 4.0781 7.6622 116.9433 58.0724 32.2312 178.2704 92 I 3.9646 7.3165 118.6417 61.2781 39.4569 175.8522 93 F 4.9157 8.3427 116.7951 54.4854 38.9133 173.5943 94 P 4.4247 0.0000 0.0000 63.8056 31.9240 176.9234 95 G 3.5392 8.7407 110.1492 46.3746 0.0000 173.6166 *97 V 4.1082 7.4029 116.3373 62.6082 33.1798 175.1163 98 K 4.5856 8.3959 127.3892 55.4154 35.7855 173.8929 99 Y 4.9080 8.7713 128.8890 56.7620 40.4219 174.7346 100 I 4.1356 7.8581 127.7699 59.1087 38.5668 176.1123 101 E 3.6451 8.4235 126.3062 58.9905 29.7879 178.3867 102 E 4.0451 8.1918 118.3113 58.8287 29.4972 177.6539 103 T 4.4060 7.3968 104.1184 60.1931 69.7162 172.8138 104 N 4.1100 7.8356 119.0366 55.4767 37.8822 172.9809 105 V 4.7252 7.2190 108.0417 59.3556 36.9926 175.1447 106 V 4.8768 8.8164 121.3160 61.3830 33.9620 174.0762 107 L 4.8619 8.9326 128.7547 53.6145 43.2025 175.7570 108 I 4.1583 8.8033 126.6201 60.5815 38.2145 176.5701 109 G 3.7806 8.3481 117.5995 44.7164 0.0000 170.6283 110 D 4.5587 8.4568 116.5051 55.1944 41.5902 177.8560 111 K 4.5462 7.7771 114.3200 56.0804 34.6255 175.3909 112 V 4.6362 7.5539 120.3908 60.8946 34.0426 174.4247 113 R 5.0719 8.8254 124.2923 54.2711 32.6734 174.5287 114 V 4.5778 8.9102 122.5057 61.1578 34.3083 174.8584 115 S 4.9485 8.1524 122.3704 56.2807 66.0491 174.5714 116 E 4.4681 8.9614 117.7134 58.2268 29.1461 177.7740 117 I 4.2559 9.3416 119.2908 60.8603 38.3625 175.4203 118 G 3.5161 6.4236 107.0019 43.1392 0.0000 172.2478 119 V 4.2909 7.4609 119.7619 61.2758 32.7796 174.8094 120 E 4.4922 9.4310 127.5120 54.0922 31.7901 174.4453 121 G 4.4430 7.9918 110.4279 43.4540 0.0000 172.3342 122 V 4.3477 7.9901 113.0748 59.5959 35.4353 175.6728 123 G 3.8626 8.4241 106.7372 44.3966 0.0000 171.9008 124 P 4.2494 0.0000 0.0000 65.6057 31.1081 178.8038 125 V 3.7158 7.8304 116.1984 66.2065 31.5667 177.8490 126 A 3.9866 7.9673 119.8599 55.0409 18.2851 179.3489 127 E 3.9750 8.2581 117.3810 59.5032 29.5154 179.5260 128 R 3.9462 8.2479 118.5516 59.4850 30.1923 178.3808 129 A 4.3794 8.6463 120.9566 55.1567 18.3491 179.6974 130 K 4.0044 8.6093 117.3897 59.8925 32.2821 179.7524 131 R 4.9972 8.0274 119.4302 58.8576 29.9543 178.9171 132 L 4.1471 8.4327 120.3317 58.0573 42.0498 178.8929 133 F 4.5269 8.8674 120.9484 61.2788 39.3496 176.6900 134 E 3.9947 8.5388 118.3771 59.7732 29.4891 179.4233 135 E 3.9428 8.2066 117.8847 59.4657 29.3642 178.9256 136 F 4.2942 8.2372 119.3577 61.7631 39.4072 176.9835 137 L 3.5893 7.6392 117.3283 57.1816 41.4158 177.2610 138 K 4.0726 7.6333 121.6538 56.5815 31.9872 176.6371 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 12 F 8.13 5.35 0.00 3.25 3.52 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 13 V 8.05 3.45 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 1.06 0.00 0.00 0.93 0.00 0.00 14 A 8.76 4.00 1.32 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 0.00 0.00 0.00 15 E 8.25 4.09 0.00 2.13 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 0.00 2.44 2.51 0.00 16 L 8.09 4.07 0.00 1.96 1.78 1.13 0.51 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 17 N 8.25 4.40 0.00 3.13 2.89 0.00 0.00 6.56 6.48 0.00 0.00 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 N 7.77 4.44 0.00 2.77 3.06 0.00 0.00 7.16 7.63 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 19 L 7.71 4.52 0.00 1.87 1.66 0.90 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.03 4.25 0.00 1.73 1.63 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 21 G 9.65 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 22 R 7.80 4.64 0.00 1.80 2.05 0.00 3.29 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 23 E 8.55 4.75 0.00 1.99 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 2.28 2.35 0.00 24 V 9.08 4.62 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 0.66 0.00 0.00 0.95 0.00 0.00 25 Q 8.91 5.11 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 26 V 9.15 4.75 2.17 0.00 0.00 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 0.97 0.00 0.00 27 V 8.49 4.58 1.76 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 1.00 0.00 0.00 0.84 0.00 0.00 28 L 8.90 5.33 0.00 1.71 1.66 1.01 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 29 S 9.01 4.40 0.00 4.08 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 0.00 30 N 8.13 4.62 0.00 2.84 2.92 0.00 0.00 6.36 7.00 0.00 0.00 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 8.03 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 0.00 0.00 0.00 32 E 7.94 4.38 0.00 2.12 1.86 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 2.42 2.46 0.00 33 V 7.97 4.84 2.01 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 1.00 0.00 0.00 0.92 0.00 0.00 34 Y 9.18 4.90 0.00 2.93 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 35 K 8.73 4.96 0.00 1.79 1.61 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.48 7.81 36 G 8.26 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 0.00 0.00 0.00 37 V 7.62 4.39 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 0.99 0.00 0.00 0.94 0.00 0.00 38 L 9.24 4.32 0.00 1.86 1.67 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 39 H 9.10 4.39 0.00 3.12 3.34 0.00 6.04 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.56 4.71 1.25 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 0.00 0.00 0.00 41 V 8.38 4.89 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 0.93 0.00 0.00 0.97 0.00 0.00 42 D 8.37 5.03 0.00 2.84 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 N 8.65 4.28 0.00 2.68 2.87 0.00 0.00 6.86 7.69 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 44 Q 7.97 3.91 0.00 1.95 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.62 0.00 0.00 0.00 0.00 0.00 2.09 2.23 0.00 45 L 8.07 3.78 0.00 1.65 1.84 0.96 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.62 4.92 0.00 3.03 2.85 0.00 0.00 6.79 7.08 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 47 I 8.70 4.94 1.93 0.00 0.00 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 1.18 0.84 0.93 0.00 0.00 48 V 8.84 4.70 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 0.64 0.00 0.00 1.13 0.00 0.00 49 L 8.66 5.20 0.00 1.51 1.50 0.98 1.04 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 50 A 8.87 4.78 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.21 4.48 0.00 2.85 2.86 0.00 0.00 6.82 6.95 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 52 A 8.17 5.81 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 53 S 8.74 5.77 0.00 3.83 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 54 N 8.10 5.47 0.00 2.36 1.60 0.00 0.00 6.75 6.64 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 55 K 8.42 3.90 0.00 1.69 1.86 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.33 7.81 56 A 7.82 4.07 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 57 G 8.03 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 0.00 0.00 0.00 58 E 7.79 4.01 0.00 2.24 1.63 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 2.36 2.31 0.00 59 K 7.99 5.05 0.00 1.62 1.48 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.61 7.81 60 F 9.47 4.95 0.00 2.93 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 61 N 9.17 4.44 0.00 2.81 2.87 0.00 0.00 6.86 7.65 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 62 R 7.83 4.90 0.00 1.55 0.92 0.00 2.99 0.00 0.00 2.85 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.54 0.00 63 V 8.36 3.99 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 0.37 0.00 0.00 0.78 0.00 0.00 64 F 8.75 4.89 0.00 2.88 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 65 I 8.70 4.50 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.76 0.95 0.00 0.00 *67 Y 8.49 4.77 0.00 3.23 3.52 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 68 R 7.11 3.57 0.00 1.26 1.32 0.00 2.92 0.00 0.00 3.02 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.71 0.00 69 Y 7.66 4.33 0.00 3.14 3.03 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 70 I 7.60 4.41 2.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.60 1.04 0.00 0.00 71 V 8.98 4.08 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 0.89 0.00 0.00 1.03 0.00 0.00 72 H 7.76 4.97 0.00 3.19 3.37 0.00 5.45 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.24 5.09 1.76 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.73 0.89 0.00 0.00 74 D 9.19 5.04 0.00 2.59 2.53 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 75 S 8.67 5.15 0.00 3.79 3.65 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 76 T 8.66 4.49 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 1.20 0.00 0.00 77 E 7.60 4.58 0.00 1.97 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 2.24 2.24 0.00 78 R 8.30 4.37 0.00 1.72 1.77 0.00 3.06 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 79 R 8.20 4.40 0.00 1.74 1.86 0.00 3.41 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 80 I 8.18 3.44 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.43 1.14 0.00 0.00 81 D 8.69 5.00 0.00 2.85 2.66 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 0.00 0.00 0.00 0.00 *83 R 8.32 3.76 0.00 1.91 1.75 0.00 3.03 0.00 0.00 3.09 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.50 0.00 84 E 8.14 3.95 0.00 2.11 2.34 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 2.52 2.39 0.00 85 F 8.07 3.38 0.00 1.92 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 86 A 7.87 3.97 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 87 K 7.69 3.90 0.00 1.82 1.85 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.58 7.81 88 Q 8.01 4.02 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 89 A 7.90 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.14 3.80 0.00 2.10 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 2.30 2.39 0.00 91 K 7.66 4.08 0.00 1.81 1.79 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.58 7.81 92 I 7.32 3.96 1.31 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 1.68 0.63 0.04 0.00 0.00 93 F 8.34 4.92 0.00 2.94 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 94 P 0.00 4.42 0.00 2.17 2.09 0.00 3.51 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 95 G 8.74 3.54 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 0.00 0.00 0.00 *97 V 7.40 4.11 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 0.78 0.00 0.00 1.11 0.00 0.00 98 K 8.40 4.59 0.00 1.79 1.58 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 1.40 7.81 99 Y 8.77 4.91 0.00 3.02 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 0.00 100 I 7.86 4.14 1.66 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.29 0.84 0.00 0.00 101 E 8.42 3.65 0.00 2.15 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 2.23 2.31 0.00 102 E 8.19 4.05 0.00 1.88 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 0.00 2.29 2.34 0.00 103 T 7.40 4.41 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 1.17 0.00 0.00 104 N 7.84 4.11 0.00 2.95 2.94 0.00 0.00 6.88 7.86 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 0.00 105 V 7.22 4.73 2.19 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 0.69 0.00 0.00 0.86 0.00 0.00 106 V 8.82 4.88 2.36 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 1.10 0.00 0.00 1.31 0.00 0.00 107 L 8.93 4.86 0.00 1.59 1.53 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 108 I 8.80 4.16 1.54 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.88 -0.24 0.00 0.00 109 G 8.35 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 0.00 0.00 0.00 110 D 8.46 4.56 0.00 2.62 2.66 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 0.00 0.00 0.00 0.00 111 K 7.78 4.55 0.00 1.68 1.70 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.37 7.81 112 V 7.55 4.64 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 1.01 0.00 0.00 0.88 0.00 0.00 113 R 8.83 5.07 0.00 1.83 1.91 0.00 2.72 0.00 0.00 3.05 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.46 0.00 114 V 8.91 4.58 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 0.10 0.00 0.00 0.94 0.00 0.00 115 S 8.15 4.95 0.00 3.90 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 0.00 116 E 8.96 4.47 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 117 I 9.34 4.26 1.86 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 1.27 0.59 0.92 0.00 0.00 118 G 6.42 3.52 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 0.00 0.00 0.00 119 V 7.46 4.29 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.73 0.00 0.00 120 E 9.43 4.49 0.00 1.90 1.81 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 2.13 2.16 0.00 121 G 7.99 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.99 4.35 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 0.76 0.00 0.00 0.92 0.00 0.00 123 G 8.42 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 0.00 124 P 0.00 4.25 0.00 2.21 2.15 0.00 3.63 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 125 V 7.83 3.72 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 0.89 0.00 0.00 0.96 0.00 0.00 126 A 7.97 3.99 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 0.00 127 E 8.26 3.98 0.00 2.24 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 2.36 2.60 0.00 128 R 8.25 3.95 0.00 2.06 2.38 0.00 3.18 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 1.48 1.71 0.00 129 A 8.65 4.38 1.47 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 0.00 0.00 130 K 8.61 4.00 0.00 2.03 2.08 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.80 7.81 131 R 8.03 5.00 0.00 2.13 2.06 0.00 3.18 0.00 0.00 3.23 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.56 0.00 132 L 8.43 4.15 0.00 1.92 2.16 0.96 0.69 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 0.00 133 F 8.87 4.53 0.00 3.23 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 0.00 134 E 8.54 3.99 0.00 2.29 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 2.43 2.70 0.00 135 E 8.21 3.94 0.00 2.34 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 0.00 2.38 2.39 0.00 136 F 8.24 4.29 0.00 3.23 3.43 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 0.00 137 L 7.64 3.59 0.00 1.58 1.46 0.75 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 138 K 7.63 4.07 0.00 1.86 1.68 0.00 1.90 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.47 7.81 * Residues marked with a * may have inaccurate shift predictions.