NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 E 4.3016 8.3033 120.1835 56.2365 31.9715 173.7301 *2 R 4.3555 8.1880 117.6598 56.5719 31.9021 174.9549 3 I 4.9424 8.2284 121.9534 59.6014 41.3507 174.1639 4 G 4.5849 8.7259 112.4482 45.3609 0.0000 170.9691 5 H 5.5166 8.7192 118.9843 54.5061 33.9303 172.1649 6 G 4.4099 8.8416 109.9758 44.8967 0.0000 171.1482 7 F 5.4912 8.5388 122.1761 56.7524 42.6334 172.8148 8 D 4.5447 8.1484 123.7946 52.9804 45.2354 173.7981 9 V 4.7829 7.7464 120.7823 61.6539 34.8174 173.8364 10 H 4.9089 8.8657 122.6595 53.9544 33.4250 172.4107 11 A 4.7202 8.3479 122.5531 50.9403 20.5869 176.8799 12 F 4.9328 8.8823 119.9138 57.3791 39.7332 175.4061 13 G 3.9410 9.2723 110.0477 47.5460 0.0000 174.8943 14 G 4.0029 7.9518 109.7123 44.6208 0.0000 172.3083 15 E 4.6817 8.3045 115.9063 54.7759 32.2955 176.3434 16 G 4.2321 8.6625 108.7323 44.7026 0.0000 170.7170 17 P 4.9972 0.0000 0.0000 62.2887 32.9804 175.5035 18 I 4.5118 8.6213 113.3586 59.7192 40.3961 174.7540 19 I 4.9985 8.1631 123.2554 59.7359 39.9755 174.9496 20 I 4.7243 8.3885 127.9017 60.4559 40.2304 175.9526 21 G 4.0242 10.0681 113.6471 46.6598 0.0000 174.5475 22 G 3.8833 9.1409 107.1067 44.9460 0.0000 174.1352 23 V 4.5771 7.7485 120.7660 60.9977 33.7611 174.9474 24 R 4.6650 8.7292 127.1786 56.1915 30.8386 175.7553 25 I 4.3866 8.7792 125.6689 58.4715 39.8374 173.5832 26 P 4.6139 0.0000 0.0000 63.3899 31.8232 175.0743 27 Y 4.9363 8.2058 121.9677 56.8015 41.5710 174.7970 28 E 3.8934 7.9318 122.0080 58.1307 29.9939 176.6262 29 K 4.7769 7.0727 117.2470 54.7670 36.5402 176.0366 30 G 4.3136 8.2126 108.9579 44.4132 0.0000 171.6794 31 L 5.2849 8.3082 119.2762 52.7409 43.4979 176.9384 32 L 4.2942 9.2005 124.9470 54.6330 41.5053 176.5076 33 A 4.3020 8.0093 123.3457 52.0131 21.4997 176.9940 34 H 4.3951 8.9431 117.0812 57.7659 29.3255 175.6644 35 S 4.9883 6.9846 114.8320 56.7013 64.9719 173.3341 36 D 4.3950 8.6892 118.4115 54.2521 39.5635 176.3787 37 G 3.4760 8.1722 108.3928 46.9928 0.0000 174.7810 38 D 4.8800 7.5975 121.6536 52.5529 40.4266 176.1942 39 V 3.7186 8.0201 120.4723 63.8038 31.7059 177.9924 40 A 3.9299 7.8653 120.1215 55.2695 18.3117 179.5811 41 L 3.9477 8.1692 117.5187 58.0204 41.5351 179.4390 42 H 4.2018 8.3784 116.1188 58.9006 28.6304 177.6508 43 A 3.9505 8.0549 122.4090 55.0697 18.1891 179.4103 44 L 3.8604 8.0649 118.8907 58.5988 42.0676 179.2918 45 T 3.9087 8.2815 116.0377 66.8426 68.3990 176.3525 46 D 4.3444 8.5466 120.9164 57.2529 40.8202 178.6991 47 A 4.2831 8.0852 122.8312 54.5252 18.4721 179.7976 48 L 3.9628 8.1377 117.5300 58.0348 41.7374 179.6493 49 L 4.1371 8.3577 119.4214 57.6828 41.4826 179.8913 50 G 3.5558 8.5373 105.9119 47.8182 0.0000 175.6720 51 A 4.6110 8.2211 123.2701 53.6868 18.4081 178.5370 52 A 3.8525 7.4612 115.9830 50.6469 19.4617 176.6788 53 A 3.7028 7.5442 119.5808 53.6682 16.6989 178.1160 54 L 4.5627 8.1996 117.3763 55.6589 43.6917 176.9781 55 G 4.0290 9.3593 108.1656 43.7674 0.0000 176.4165 56 D 4.7529 8.5517 124.6804 50.4022 42.1537 175.8444 57 I 3.7724 9.3411 114.1979 64.2029 36.9187 178.6079 58 G 3.3981 8.0154 106.2355 47.2108 0.0000 175.2666 59 K 4.0571 8.1261 121.4593 59.2766 32.2925 178.6677 60 L 3.8332 7.2385 117.8423 56.0674 42.8876 177.5189 61 F 4.4295 7.7245 115.2848 54.5891 39.2146 173.3781 62 P 4.4039 0.0000 0.0000 62.8624 32.1303 177.9504 63 D 4.5554 8.7132 122.0917 56.9795 41.0964 177.9576 64 T 4.0480 7.8516 115.5561 66.0660 68.9267 174.7571 65 D 4.5574 8.1913 122.2775 53.1544 41.7959 175.3040 66 P 4.2670 0.0000 0.0000 65.0787 31.7122 178.3239 67 A 3.7320 9.4039 121.5994 54.4975 18.3611 178.1212 68 F 4.8183 7.5662 112.7522 56.9419 39.3519 175.5110 69 K 4.1562 7.8340 123.5773 57.6487 32.2006 177.3972 70 G 3.8903 8.9966 113.0987 45.4331 0.0000 173.5106 71 A 4.1758 7.7532 123.2974 52.1623 19.0685 177.9726 72 D 4.7431 9.2757 122.7626 52.3894 42.3862 178.2155 73 S 4.1479 9.1381 116.4221 61.6536 62.5672 177.3748 74 R 3.8835 7.9393 120.5718 59.0852 29.8527 178.6408 75 E 3.9285 8.6763 118.7324 59.3349 29.3405 179.4268 76 L 3.4783 7.8306 119.0405 57.3841 41.5352 179.2144 77 L 3.9921 8.1255 120.5737 58.3708 41.9520 179.3491 78 R 4.0623 8.3231 118.2973 59.1511 29.9817 178.7208 79 E 4.0238 8.4322 119.1009 59.0931 29.6353 178.5087 80 A 4.1702 8.5302 121.1878 55.1748 18.3914 179.4397 81 W 4.4773 8.6507 126.9615 60.5732 30.7483 177.9722 82 R 3.7738 8.5169 119.1162 59.7150 29.2786 178.7296 83 R 3.9409 7.9265 116.2848 59.2459 30.4255 178.8508 84 I 3.9131 7.9555 119.7444 64.5490 37.1326 178.5744 85 Q 3.9462 8.0881 120.1986 58.1298 28.2051 178.5616 86 A 4.2534 7.6830 120.8499 54.3761 18.4333 178.7812 87 K 4.2271 7.5166 114.8624 56.5630 32.4424 177.6873 88 G 3.7547 8.2500 108.4913 45.1487 0.0000 173.3970 89 Y 4.7259 7.3848 117.4394 57.1519 39.3473 174.2409 90 T 4.7906 8.9991 112.5052 59.5560 72.8504 172.4390 91 L 4.2757 8.9784 124.0908 55.3232 42.3845 175.4670 92 G 4.0322 9.2518 114.1568 46.6763 0.0000 173.5045 93 N 5.1790 7.5549 113.8315 51.3750 41.4374 173.2620 94 V 4.9393 8.7217 111.6709 59.8714 36.6314 174.3731 95 D 5.2326 8.9032 121.5512 52.8454 44.8937 174.2138 96 V 4.8328 8.7275 124.7680 61.3811 35.5002 174.2382 97 T 4.9766 9.1340 123.4441 61.8937 71.6087 173.0001 98 I 4.4031 8.9093 128.8104 60.4730 39.1105 175.2707 99 I 4.8901 9.0122 127.6975 59.9199 39.3797 174.4262 100 A 4.7631 8.6501 128.1845 50.7656 22.3203 177.0485 101 Q 3.9587 9.0489 122.6460 58.8384 29.6150 175.7839 102 A 4.3219 7.2257 116.6702 50.5527 21.5510 173.6782 103 P 4.4140 0.0000 0.0000 61.6709 32.4475 175.4419 104 K 4.1280 8.0615 119.9492 55.9055 33.4846 175.7847 *106 L 4.3695 8.3611 119.9975 54.6122 43.3265 176.9774 107 P 4.2429 0.0000 0.0000 65.1495 31.6597 176.7378 108 H 4.7140 7.8523 113.4883 56.1366 29.6982 177.1092 109 I 3.7909 7.5437 120.1583 63.8436 37.3602 175.6306 110 P 4.3177 0.0000 0.0000 65.7012 31.4333 179.2032 111 Q 3.6169 7.4387 117.7287 56.0380 28.3340 178.2417 *113 R 4.2010 8.2088 116.3492 55.8572 32.2780 178.0264 114 V 3.5225 7.6151 116.8478 66.2130 31.2972 178.0182 115 F 4.5498 7.9103 117.2366 60.8089 38.7284 177.8054 116 I 3.6785 7.8395 118.6851 64.2508 37.0006 178.1665 117 A 3.9321 8.2738 121.8841 55.0744 18.3307 179.4340 118 E 3.9448 8.4991 117.3572 59.9449 29.4176 179.5398 119 D 4.4572 8.2612 117.4113 56.5151 40.9117 177.7920 120 L 3.7449 7.7625 116.9458 52.8344 42.1819 176.3704 121 G 4.0748 7.7700 106.8133 46.8960 0.0000 172.6060 122 C 4.9695 7.7572 112.7641 55.8451 33.6595 174.5524 123 H 4.7815 8.0541 124.1158 56.0937 27.0121 177.6885 *125 D 4.4887 8.5981 125.6075 54.9883 42.6389 175.3195 126 D 4.7258 8.2942 118.0565 54.6586 41.1314 175.4118 127 V 4.7208 7.5075 119.3429 61.0271 34.0496 174.0316 128 N 5.1268 9.0259 126.2386 51.7452 42.1408 173.1000 129 V 4.9379 8.2956 123.6213 61.2141 34.8686 174.2668 130 K 4.8940 9.2763 125.4766 54.7277 36.8184 174.6434 131 A 5.2323 8.3304 121.2034 51.0772 22.5831 175.3524 132 T 4.7258 8.7923 113.2301 60.9096 71.3954 173.5904 133 T 4.8240 8.7054 117.7448 59.9499 71.2049 174.1128 134 T 4.4609 8.0953 108.6875 61.2298 69.3148 174.0020 135 E 3.7956 8.6441 117.8952 58.5759 27.3460 175.6196 136 K 4.1667 8.4434 112.9597 56.6223 31.1141 176.4020 137 L 4.3711 7.9852 120.0425 54.2888 43.2175 177.9757 138 G 4.2725 8.4899 110.9517 44.7278 0.0000 174.3915 139 F 4.4690 8.4620 113.1990 60.0676 37.6192 177.5597 140 T 4.2534 6.4048 111.5082 64.1128 68.6492 176.8190 141 G 3.6738 7.9214 108.5045 47.2540 0.0000 174.9450 142 R 4.4792 8.0779 117.4812 55.7222 30.2334 176.7680 143 G 4.0989 8.0228 106.8300 46.8437 0.0000 174.9556 144 E 4.4791 8.5885 121.5991 57.6440 30.0912 176.3281 145 G 4.0555 7.4769 105.3206 45.0766 0.0000 171.4284 146 I 4.8471 7.9365 118.5299 59.3580 41.2734 175.0193 147 A 5.1389 8.7845 126.6021 50.5156 22.8204 174.5663 148 C 5.0657 8.5010 118.3818 58.1609 35.6055 172.7455 149 E 5.4235 9.1834 124.2389 54.9044 32.8778 174.7616 150 A 5.0919 8.6911 122.2256 50.9441 23.3525 175.6380 151 V 5.0459 8.8411 111.8469 59.7421 36.4335 174.7334 152 A 5.1567 8.8378 123.1254 50.3485 23.1663 174.7649 153 L 5.1919 8.9392 122.3823 53.2940 44.7552 175.5337 154 L 5.3439 8.8457 125.8151 53.0926 45.0620 175.7672 155 I 4.8480 8.9715 121.2983 59.4566 40.6652 175.8946 156 K 4.1751 9.3101 127.1216 56.5053 31.7888 175.5775 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 0 E 8.30 4.30 0.00 1.98 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 2.34 2.39 0.00 *2 R 8.19 4.36 0.00 1.73 1.95 0.00 3.49 0.00 0.00 3.47 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 3 I 8.23 4.94 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 1.29 1.47 0.92 0.00 0.00 4 G 8.73 4.58 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 0.00 0.00 0.00 5 H 8.72 5.52 0.00 3.18 3.10 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.84 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 0.00 0.00 0.00 0.00 7 F 8.54 5.49 0.00 3.03 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 8 D 8.15 4.54 0.00 2.66 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 0.00 0.00 0.00 0.00 9 V 7.75 4.78 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 0.72 0.00 0.00 0.98 0.00 0.00 10 H 8.87 4.91 0.00 2.98 3.03 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.35 4.72 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 12 F 8.88 4.93 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 13 G 9.27 3.94 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 0.00 0.00 0.00 14 G 7.95 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 15 E 8.30 4.68 0.00 2.05 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 2.30 2.31 0.00 16 G 8.66 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 17 P 0.00 5.00 0.00 2.14 2.12 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 18 I 8.62 4.51 1.94 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 1.44 1.10 1.22 0.00 0.00 19 I 8.16 5.00 1.84 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 1.34 1.53 0.89 0.00 0.00 20 I 8.39 4.72 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.01 0.89 0.00 0.00 21 G 10.07 4.02 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 0.00 22 G 9.14 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 23 V 7.75 4.58 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 1.00 0.00 0.00 1.12 0.00 0.00 24 R 8.73 4.66 0.00 1.77 1.88 0.00 3.22 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 25 I 8.78 4.39 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.81 0.79 0.00 0.00 26 P 0.00 4.61 0.00 1.99 2.03 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 27 Y 8.21 4.94 0.00 2.96 2.93 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 28 E 7.93 3.89 0.00 1.86 1.71 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 1.83 2.02 0.00 29 K 7.07 4.78 0.00 1.52 1.74 0.00 1.50 0.00 0.00 1.69 0.00 0.00 2.74 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.15 0.96 7.81 30 G 8.21 4.31 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 0.00 31 L 8.31 5.28 0.00 1.52 1.54 0.89 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 32 L 9.20 4.29 0.00 1.48 1.59 0.94 0.77 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 33 A 8.01 4.30 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 34 H 8.94 4.40 0.00 3.16 3.39 0.00 5.67 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 6.98 4.99 0.00 4.17 3.92 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 36 D 8.69 4.39 0.00 2.75 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 37 G 8.17 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.60 4.88 0.00 2.78 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.02 3.72 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 0.85 0.00 0.00 0.85 0.00 0.00 40 A 7.87 3.93 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 41 L 8.17 3.95 0.00 1.69 1.72 0.97 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 42 H 8.38 4.20 0.00 3.38 3.32 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.05 3.95 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 44 L 8.06 3.86 0.00 1.81 1.80 0.87 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.28 3.91 4.42 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 1.34 0.00 0.00 46 D 8.55 4.34 0.00 2.90 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 47 A 8.09 4.28 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 48 L 8.14 3.96 0.00 1.92 1.88 0.82 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.36 4.14 0.00 1.67 1.70 0.87 0.95 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 50 G 8.54 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 51 A 8.22 4.61 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 52 A 7.46 3.85 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 53 A 7.54 3.70 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 54 L 8.20 4.56 0.00 1.60 1.65 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 55 G 9.36 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 56 D 8.55 4.75 0.00 3.02 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 57 I 9.34 3.77 1.99 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 1.56 0.78 0.99 0.00 0.00 58 G 8.02 3.40 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 0.00 0.00 0.00 59 K 8.13 4.06 0.00 1.69 1.87 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.43 7.81 60 L 7.24 3.83 0.00 0.69 0.13 0.79 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 61 F 7.72 4.43 0.00 2.80 2.28 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 62 P 0.00 4.40 0.00 2.25 2.02 0.00 3.79 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.15 0.00 63 D 8.71 4.56 0.00 2.64 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 64 T 7.85 4.05 4.27 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 1.23 0.00 0.00 65 D 8.19 4.56 0.00 2.82 2.83 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 0.00 0.00 0.00 66 P 0.00 4.27 0.00 2.17 2.06 0.00 3.63 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 2.09 2.08 0.00 67 A 9.40 3.73 0.61 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 68 F 7.57 4.82 0.00 3.13 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 69 K 7.83 4.16 0.00 1.73 1.78 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.41 7.81 70 G 9.00 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 0.00 0.00 0.00 71 A 7.75 4.18 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 72 D 9.28 4.74 0.00 3.03 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 73 S 9.14 4.15 0.00 3.88 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 74 R 7.94 3.88 0.00 1.89 1.98 0.00 2.79 0.00 0.00 3.04 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 75 E 8.68 3.93 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 2.30 2.42 0.00 76 L 7.83 3.48 0.00 1.66 1.28 0.69 -0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.13 3.99 0.00 1.80 1.83 0.90 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.32 4.06 0.00 1.92 2.05 0.00 3.22 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.80 0.00 79 E 8.43 4.02 0.00 2.17 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 2.61 2.69 0.00 80 A 8.53 4.17 1.59 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 0.00 0.00 81 W 8.65 4.48 0.00 3.45 3.31 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 82 R 8.52 3.77 0.00 2.07 2.15 0.00 3.17 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 83 R 7.93 3.94 0.00 2.01 1.98 0.00 3.20 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.98 0.00 84 I 7.96 3.91 1.93 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 1.56 1.27 0.88 0.00 0.00 85 Q 8.09 3.95 0.00 1.69 1.84 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 1.64 1.16 0.00 86 A 7.68 4.25 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 87 K 7.52 4.23 0.00 2.10 1.89 0.00 1.72 0.00 0.00 1.84 0.00 0.00 3.18 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.62 7.81 88 G 8.25 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 0.00 0.00 0.00 89 Y 7.38 4.73 0.00 3.12 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 90 T 9.00 4.79 4.38 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 1.24 0.00 0.00 91 L 8.98 4.28 0.00 1.69 1.67 0.73 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 92 G 9.25 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 93 N 7.55 5.18 0.00 2.86 2.89 0.00 0.00 5.73 7.68 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 94 V 8.72 4.94 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 0.68 0.00 0.00 0.86 0.00 0.00 95 D 8.90 5.23 0.00 2.75 2.43 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 96 V 8.73 4.83 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 0.98 0.00 0.00 0.90 0.00 0.00 97 T 9.13 4.98 4.27 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 1.22 0.00 0.00 98 I 8.91 4.40 1.95 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 1.20 0.58 0.88 0.00 0.00 99 I 9.01 4.89 1.93 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 1.17 0.73 0.86 0.00 0.00 100 A 8.65 4.76 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 0.00 101 Q 9.05 3.96 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 102 A 7.23 4.32 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 0.00 103 P 0.00 4.41 0.00 2.14 1.98 0.00 3.44 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.64 0.00 104 K 8.06 4.13 0.00 1.73 1.80 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.48 7.81 *106 L 8.36 4.37 0.00 1.77 1.66 0.90 0.89 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 0.00 107 P 0.00 4.24 0.00 1.75 1.97 0.00 3.79 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.05 0.00 108 H 7.85 4.71 0.00 3.25 3.32 0.00 5.82 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 7.54 3.79 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 1.29 0.46 0.88 0.00 0.00 110 P 0.00 4.32 0.00 2.10 2.04 0.00 3.59 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 111 Q 7.44 3.62 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.39 0.00 0.00 0.00 0.00 0.00 2.09 1.34 0.00 *113 R 8.21 4.20 0.00 2.06 1.95 0.00 3.16 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 114 V 7.62 3.52 1.90 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 1.09 0.00 0.00 0.84 0.00 0.00 115 F 7.91 4.55 0.00 3.07 2.91 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 0.00 116 I 7.84 3.68 1.98 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 0.73 0.82 0.00 0.00 117 A 8.27 3.93 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 0.00 118 E 8.50 3.94 0.00 2.28 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 2.39 2.57 0.00 119 D 8.26 4.46 0.00 2.59 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 0.00 120 L 7.76 3.74 0.00 1.24 0.78 0.53 -0.09 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 0.00 121 G 7.77 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 0.00 122 C 7.76 4.97 0.00 3.17 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 0.00 123 H 8.05 4.78 0.00 3.38 2.97 0.00 5.67 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *125 D 8.60 4.49 0.00 2.66 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 0.00 126 D 8.29 4.73 0.00 2.83 2.63 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 0.00 127 V 7.51 4.72 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 0.74 0.00 0.00 0.87 0.00 0.00 128 N 9.03 5.13 0.00 2.85 2.78 0.00 0.00 6.14 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 0.00 129 V 8.30 4.94 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 0.86 0.00 0.00 0.91 0.00 0.00 130 K 9.28 4.89 0.00 1.66 1.64 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.35 7.81 131 A 8.33 5.23 1.15 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 0.00 132 T 8.79 4.73 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 0.00 133 T 8.71 4.82 4.43 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 1.25 0.00 0.00 134 T 8.10 4.46 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 1.13 0.00 0.00 135 E 8.64 3.80 0.00 2.14 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 0.00 2.24 2.39 0.00 136 K 8.44 4.17 0.00 1.92 1.94 0.00 1.86 0.00 0.00 1.57 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.51 7.81 137 L 7.99 4.37 0.00 1.74 1.55 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.49 4.27 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 0.00 139 F 8.46 4.47 0.00 3.34 3.35 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 0.00 140 T 6.40 4.25 4.13 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 0.00 0.00 0.00 0.83 0.00 0.00 141 G 7.92 3.67 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 0.00 0.00 0.00 142 R 8.08 4.48 0.00 1.90 2.05 0.00 3.30 0.00 0.00 3.27 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.85 0.00 143 G 8.02 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 0.00 144 E 8.59 4.48 0.00 2.41 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 0.00 2.40 2.39 0.00 145 G 7.48 4.06 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 0.00 0.00 0.00 146 I 7.94 4.85 1.64 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 1.12 0.11 0.88 0.00 0.00 147 A 8.78 5.14 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 0.00 148 C 8.50 5.07 0.00 2.87 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 0.00 149 E 9.18 5.42 0.00 2.02 1.90 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 2.73 2.43 0.00 150 A 8.69 5.09 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 0.00 151 V 8.84 5.05 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 0.84 0.00 0.00 0.94 0.00 0.00 152 A 8.84 5.16 1.18 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 0.00 0.00 153 L 8.94 5.19 0.00 1.74 1.51 0.95 0.79 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 0.00 154 L 8.85 5.34 0.00 1.44 1.62 0.65 1.40 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 0.00 155 I 8.97 4.85 1.97 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.85 0.97 0.00 0.00 156 K 9.31 4.18 0.00 1.81 1.68 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.19 0.88 7.81 * Residues marked with a * may have inaccurate shift predictions.