NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5003 8.1633 120.6188 54.9935 34.2986 174.3461 2 K 4.2554 8.6092 126.1467 55.7523 33.5880 170.8261 3 V 4.8027 9.8104 126.2109 61.2844 35.8159 173.6054 4 I 4.4178 8.3355 128.8452 60.5980 38.3167 176.4576 5 L 4.6662 8.1504 128.2974 53.9082 43.2645 176.5592 6 L 4.1616 8.4414 124.8820 54.2859 47.5954 177.0022 7 E 3.9890 9.1880 135.0000 56.2075 28.7296 174.2802 8 P 4.3554 0.0000 0.0000 63.2879 31.2041 175.0843 9 L 4.8875 7.9155 117.3416 52.3399 45.5468 175.5310 10 E 4.1515 8.5708 120.7766 57.5304 30.0839 175.0689 11 N 4.7753 9.2452 129.9206 53.6814 38.8092 174.4838 12 L 4.6734 7.5496 121.8912 53.4873 40.4976 175.1748 13 G 3.8495 7.4260 116.0311 44.7342 0.0000 167.1206 14 D 4.2201 8.7082 126.3622 53.7133 38.1612 173.5392 15 V 3.7160 7.3172 123.1594 61.7002 32.2737 177.3060 16 G 4.0277 8.7931 110.6201 45.9728 0.0000 174.1612 17 Q 3.8778 8.0904 122.1891 56.5784 29.9466 176.1216 18 V 4.8962 8.7542 127.7447 61.0942 30.7735 175.0909 19 V 4.5145 8.0271 126.1418 59.7370 34.5991 174.2193 20 D 5.4481 8.5387 121.1563 52.1332 40.8377 175.8313 21 V 4.6983 8.8548 115.7710 58.5990 36.1631 175.4630 22 K 3.9537 8.7478 122.6702 56.4008 32.8182 175.2031 23 P 4.3536 0.0000 0.0000 66.0559 31.1328 178.6387 24 G 3.8282 8.2758 103.5732 48.2777 0.0000 174.6033 25 Y 4.5050 8.1075 121.5568 61.0830 38.7887 177.5582 26 A 4.0229 8.1437 121.6205 54.2232 18.4205 179.2003 27 R 3.9479 8.0593 118.0081 58.3942 30.5467 177.3138 28 N 5.0075 7.8968 112.6459 52.9006 40.8206 173.4794 29 Y 4.6323 7.8837 116.6281 59.1701 40.3007 176.8695 30 L 3.7403 6.9417 120.3086 56.4235 42.7887 179.2038 31 L 4.0332 7.9212 117.7542 57.8723 42.1404 178.1778 32 P 4.1496 0.0000 0.0000 65.9175 31.2476 177.7018 33 R 4.0786 7.8040 113.9214 55.3474 30.1054 177.3840 34 G 3.9437 7.3012 105.3753 47.1752 0.0000 173.5943 35 L 4.7140 7.9448 112.0463 53.4874 43.9270 177.5703 36 A 4.3664 7.2815 120.0986 52.4084 21.9374 175.6215 37 V 4.4380 7.9505 117.0897 61.1567 35.7802 173.8891 38 L 4.1910 8.6022 123.6070 54.6607 41.7155 178.7008 39 A 4.4849 8.1080 129.9940 51.6762 15.8055 176.5135 40 T 4.4619 7.4418 113.0492 59.7549 71.8145 176.2598 41 E 3.8230 8.7804 121.3916 59.5581 29.1143 179.3538 42 S 4.1177 7.9049 111.7598 61.6674 62.6115 175.4138 43 N 4.6349 7.9972 117.4063 54.8380 39.0458 177.1878 44 L 3.9452 8.4931 122.9059 58.0882 42.3469 179.2695 45 K 4.0464 8.8582 119.4168 59.4367 31.9896 177.8557 46 A 4.5085 7.4286 119.7515 52.2213 18.5448 178.4855 47 L 3.7989 7.9091 122.4483 58.1155 42.2391 178.8191 48 E 3.4645 7.8861 117.0702 59.1945 29.5517 178.5203 49 A 4.2839 7.3082 117.6451 53.2737 17.8686 177.6573 50 R 4.5072 7.5941 114.1904 57.2125 34.3357 176.7245 51 I 3.8097 8.1581 119.5615 64.3682 36.7597 178.1940 52 R 3.9265 8.2288 119.9101 59.7262 30.2787 177.7744 53 A 3.7756 8.3944 118.3826 56.6706 17.8531 178.6194 54 Q 3.9913 7.2713 122.1614 58.2660 30.0652 177.1795 55 A 3.8832 7.8721 121.7914 55.8075 18.0667 179.5105 56 K 3.8879 8.3689 113.7236 59.4702 33.2612 179.4590 57 R 4.0953 7.7080 116.1802 57.2357 30.0784 176.3722 58 L 4.2140 7.7699 118.6365 57.3672 42.7621 177.9076 59 A 4.0387 8.6038 120.0825 53.3830 17.5176 178.3675 60 E 4.0615 8.7408 118.9065 58.1793 29.8068 177.9690 61 R 4.3581 7.8961 114.6291 56.2132 31.4059 175.9305 62 K 4.5437 7.8639 114.9688 55.8045 33.7116 176.2227 63 A 4.5991 8.3540 120.2773 51.9270 20.8182 176.8140 64 E 4.4292 7.7050 112.9505 56.3570 30.4710 176.4339 65 A 4.4259 7.7060 120.8015 52.4920 20.1796 178.0206 66 E 4.1100 7.9929 114.1775 57.3438 30.0860 177.6685 67 R 4.5636 7.8314 116.6243 55.6459 30.4173 176.1386 68 L 4.5442 7.6351 120.6886 54.9002 44.3190 178.1825 69 K 4.0620 7.5222 119.1434 59.1099 32.1877 178.2649 70 E 4.0721 7.7998 117.3775 58.4329 29.5822 177.1733 71 I 4.3745 7.4689 109.9156 62.3609 39.4718 177.1538 72 L 4.2867 7.6643 120.4613 55.2847 41.5862 177.9215 73 E 4.3955 7.6373 118.8694 56.6971 29.6434 176.0132 74 N 4.7463 7.9023 112.7391 54.9225 41.6618 173.9389 75 L 4.1441 7.9779 118.0585 55.0898 40.8224 176.7581 76 T 4.5913 8.3235 114.7164 62.1066 68.6304 174.4715 77 L 4.3100 7.9817 122.1784 52.9380 40.2759 170.1085 78 T 3.6581 7.7812 122.1227 63.1244 69.1047 171.4524 79 I 4.5319 9.0352 127.6604 58.6857 40.3062 173.9119 80 P 4.5094 0.0000 0.0000 63.6699 29.1032 176.7180 81 V 3.3838 8.3604 127.3239 63.7425 30.1970 174.5593 82 R 3.6818 8.2973 124.5443 55.6180 30.6223 172.3919 83 A 3.4628 7.7205 126.3434 50.8371 22.0592 177.0481 84 G 3.8853 8.3247 110.6491 42.9821 0.0000 172.4903 85 E 4.0757 8.0845 128.8213 54.6513 28.9491 175.6428 86 T 4.7531 7.4120 106.1368 61.1956 70.4597 175.1903 87 K 4.0608 8.2677 120.3504 55.5696 33.2840 176.5018 88 I 3.7714 7.9426 126.2647 60.6721 38.7537 174.8987 89 Y 4.9201 7.1300 115.1620 57.2068 37.9418 176.1358 90 G 4.0212 7.3911 108.3638 45.7325 0.0000 173.3896 91 S 4.6985 8.5368 116.0661 58.1334 64.0139 175.4191 92 V 4.2816 7.7103 114.4932 59.2563 32.1319 174.0378 93 T 4.0465 7.6567 112.7071 62.9160 69.9809 172.9145 94 A 3.9268 8.3826 120.9423 55.5555 18.3085 179.6914 95 K 3.9014 8.0600 114.1860 58.8173 32.3906 177.6535 96 D 4.6781 7.6517 118.4426 56.7961 41.7882 177.8604 97 I 3.6251 8.0355 119.6610 64.1711 37.1330 177.9511 98 A 3.9930 8.7139 121.3559 55.7569 17.8851 179.4058 99 E 3.8897 8.2168 116.6637 59.1743 29.7522 178.1149 100 A 4.1675 8.2716 119.3292 53.2261 18.4279 178.6870 101 L 4.0309 8.0045 119.3278 57.3596 42.4280 178.2894 102 S 5.1798 8.6941 115.5854 59.4648 62.5608 175.5965 103 R 4.2543 7.1755 120.5302 58.0395 31.3600 178.0348 104 Q 4.0356 8.1643 119.3141 58.9529 28.6727 177.5541 105 H 4.7353 7.7385 113.6281 54.4353 31.8093 173.1783 106 G 4.1706 8.0034 105.0819 45.4973 0.0000 172.6015 107 V 4.4068 7.2447 117.0421 61.0037 35.0163 174.0192 108 T 4.6723 8.3071 120.4800 62.4224 68.8297 174.5604 109 I 4.6047 7.6932 126.3310 59.3348 39.8354 174.7461 110 D 4.6932 9.7150 126.3747 52.4078 41.7191 175.8026 111 P 4.6644 0.0000 0.0000 61.4929 30.1137 175.1263 112 K 4.4734 7.4010 120.3168 58.5036 39.9852 178.1651 113 R 3.9392 7.8883 116.7466 57.3792 30.2610 178.5065 114 L 3.2333 7.5442 118.2436 55.5048 41.7465 173.5348 115 A 3.6621 7.7576 123.4955 51.2451 15.3785 175.0124 116 L 4.3156 7.4683 117.4703 53.8697 46.9065 172.7764 117 E 4.1055 9.2140 126.8748 56.6720 28.4279 179.6052 118 K 3.9901 9.2254 117.7654 55.6932 33.3497 174.8026 119 P 4.4083 0.0000 0.0000 62.7666 30.7099 177.1725 120 I 3.2080 7.4534 122.1136 61.4407 37.5395 173.0170 121 K 4.6660 7.4769 118.2456 55.4985 33.9052 173.6675 122 E 5.0848 6.9648 118.8011 55.6795 32.4312 175.8143 123 L 4.1431 7.9018 125.4004 54.4753 42.7215 175.6649 124 G 3.7487 6.5540 104.6471 43.4424 0.0000 172.2467 125 E 4.3831 8.1139 119.7186 55.2630 30.6830 175.0668 126 Y 5.0972 8.6321 123.6454 56.2374 40.2590 176.1078 127 V 4.3692 8.5655 124.2040 62.4536 33.4601 175.1458 128 L 4.9524 8.1245 123.9136 55.4872 45.7439 174.7532 129 T 4.2323 7.4517 110.7092 62.7539 71.0385 173.9616 130 Y 4.9017 8.8692 131.1544 55.6726 41.2158 173.5750 131 K 4.9157 9.4502 118.6125 54.3041 36.3930 173.6347 132 P 4.8803 0.0000 0.0000 62.4797 34.7000 176.7263 133 H 3.9497 8.3440 113.1122 55.2523 30.2230 173.8610 134 P 4.3069 0.0000 0.0000 63.0551 31.4266 174.7953 135 E 4.9303 8.4396 119.5350 54.9980 33.2675 174.2480 136 V 4.6094 8.3424 117.5382 59.4933 34.8163 172.8586 137 P 5.1837 0.0000 0.0000 60.9076 32.2642 174.7133 138 I 4.4623 8.2873 125.9337 60.1344 39.3519 174.7436 139 Q 4.6998 8.5717 127.0459 55.0229 31.1010 173.9138 140 L 5.8197 9.1842 127.1914 52.3647 45.3599 175.4139 141 K 4.9817 8.6463 124.5643 54.4463 33.9171 176.1637 142 V 5.0092 7.9220 113.5635 59.2815 34.1148 174.6717 143 S 4.6657 8.2062 126.6361 57.9765 65.1735 170.9968 144 V 4.2659 7.9844 112.8358 61.3540 34.2706 174.0658 145 V 3.1825 8.2620 126.3070 62.9372 31.4686 172.4017 *146 A 4.1219 8.3307 122.3022 52.4057 18.7144 176.4580 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 M 8.16 4.50 0.00 2.29 2.04 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.60 0.00 2 K 8.61 4.26 0.00 1.81 1.74 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.54 1.45 7.81 3 V 9.81 4.80 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 0.99 0.00 0.00 1.02 0.00 0.00 4 I 8.34 4.42 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.69 0.95 0.00 0.00 5 L 8.15 4.67 0.00 1.72 1.65 1.02 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 6 L 8.44 4.16 0.00 1.75 0.66 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 7 E 9.19 3.99 0.00 1.88 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 2.30 2.41 0.00 8 P 0.00 4.36 0.00 2.19 2.14 0.00 3.76 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 2.03 0.00 9 L 7.92 4.89 0.00 2.02 1.66 1.06 0.90 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 10 E 8.57 4.15 0.00 1.95 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 2.30 2.25 0.00 11 N 9.25 4.78 0.00 2.90 2.98 0.00 0.00 6.97 7.78 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 12 L 7.55 4.67 0.00 1.88 1.83 1.09 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 13 G 7.43 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.71 4.22 0.00 3.01 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 15 V 7.32 3.72 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 1.02 0.00 0.00 0.92 0.00 0.00 16 G 8.79 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 17 Q 8.09 3.88 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 18 V 8.75 4.90 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 1.12 0.00 0.00 0.99 0.00 0.00 19 V 8.03 4.51 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.96 0.00 0.00 20 D 8.54 5.45 0.00 2.71 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 21 V 8.85 4.70 2.42 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 0.85 0.00 0.00 1.02 0.00 0.00 22 K 8.75 3.95 0.00 1.88 1.77 0.00 1.66 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.56 7.81 23 P 0.00 4.35 0.00 2.22 2.14 0.00 3.70 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 24 G 8.28 3.83 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 0.00 0.00 0.00 25 Y 8.11 4.51 0.00 2.99 3.16 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 26 A 8.14 4.02 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 27 R 8.06 3.95 0.00 1.84 2.06 0.00 3.11 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.91 0.00 28 N 7.90 5.01 0.00 2.86 2.88 0.00 0.00 6.68 7.35 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 29 Y 7.88 4.63 0.00 3.01 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 30 L 6.94 3.74 0.00 1.52 1.39 0.58 0.39 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 31 L 7.92 4.03 0.00 1.85 1.71 0.86 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.15 0.00 1.99 2.09 0.00 3.63 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 2.16 2.16 0.00 33 R 7.80 4.08 0.00 1.50 1.71 0.00 2.58 0.00 0.00 3.07 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.45 0.00 34 G 7.30 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 35 L 7.94 4.71 0.00 1.29 1.52 0.66 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.28 4.37 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 37 V 7.95 4.44 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 0.89 0.00 0.00 0.90 0.00 0.00 38 L 8.60 4.19 0.00 1.54 1.63 0.90 0.78 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 39 A 8.11 4.48 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 40 T 7.44 4.46 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 41 E 8.78 3.82 0.00 2.03 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 0.00 2.40 2.37 0.00 42 S 7.90 4.12 0.00 3.85 3.93 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 43 N 8.00 4.63 0.00 2.76 2.82 0.00 0.00 6.69 6.74 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 44 L 8.49 3.95 0.00 1.86 1.65 0.92 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.86 4.05 0.00 1.97 2.05 0.00 1.35 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.69 1.45 7.81 46 A 7.43 4.51 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 47 L 7.91 3.80 0.00 1.89 1.85 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 48 E 7.89 3.46 0.00 2.20 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 49 A 7.31 4.28 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.59 4.51 0.00 2.01 1.88 0.00 3.14 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 51 I 8.16 3.81 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.17 0.96 0.00 0.00 52 R 8.23 3.93 0.00 2.03 2.18 0.00 2.99 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.69 0.00 53 A 8.39 3.78 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 54 Q 7.27 3.99 0.00 2.09 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 55 A 7.87 3.88 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 56 K 8.37 3.89 0.00 1.96 2.07 0.00 1.32 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.37 7.81 57 R 7.71 4.10 0.00 1.93 2.01 0.00 3.24 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 58 L 7.77 4.21 0.00 1.86 1.87 0.91 1.36 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 59 A 8.60 4.04 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 60 E 8.74 4.06 0.00 2.12 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 2.32 0.00 61 R 7.90 4.36 0.00 1.82 2.10 0.00 3.26 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 62 K 7.86 4.54 0.00 1.64 1.76 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.24 1.27 7.81 63 A 8.35 4.60 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 64 E 7.71 4.43 0.00 2.39 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.77 0.00 65 A 7.71 4.43 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 66 E 7.99 4.11 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 67 R 7.83 4.56 0.00 1.75 1.90 0.00 3.38 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 68 L 7.64 4.54 0.00 1.56 1.67 0.81 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.52 4.06 0.00 1.74 1.92 0.00 1.70 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.47 1.60 7.81 70 E 7.80 4.07 0.00 1.95 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 0.00 2.65 2.46 0.00 71 I 7.47 4.37 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.79 0.90 0.00 0.00 72 L 7.66 4.29 0.00 1.98 1.83 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 73 E 7.64 4.40 0.00 2.07 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 0.00 2.33 2.52 0.00 74 N 7.90 4.75 0.00 2.69 2.78 0.00 0.00 6.92 8.20 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 75 L 7.98 4.14 0.00 1.68 1.80 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.32 4.59 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 1.29 0.00 0.00 77 L 7.98 4.31 0.00 1.82 1.79 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.78 3.66 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 1.21 0.00 0.00 79 I 9.04 4.53 1.86 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 1.27 1.07 0.90 0.00 0.00 80 P 0.00 4.51 0.00 2.06 2.08 0.00 3.77 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 81 V 8.36 3.38 2.16 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 0.62 0.00 0.00 0.94 0.00 0.00 82 R 8.30 3.68 0.00 2.00 2.13 0.00 3.34 0.00 0.00 3.49 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.50 0.00 83 A 7.72 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.32 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 85 E 8.08 4.08 0.00 2.02 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 0.00 2.14 2.30 0.00 86 T 7.41 4.75 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 87 K 8.27 4.06 0.00 1.74 1.80 0.00 1.62 0.00 0.00 2.39 0.00 0.00 3.24 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.45 7.81 88 I 7.94 3.77 1.79 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 1.23 0.57 0.88 0.00 0.00 89 Y 7.13 4.92 0.00 2.94 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 90 G 7.39 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 91 S 8.54 4.70 0.00 4.17 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 7.71 4.28 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 0.73 0.00 0.00 0.95 0.00 0.00 93 T 7.66 4.05 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 94 A 8.38 3.93 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 95 K 8.06 3.90 0.00 1.73 1.90 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.55 7.81 96 D 7.65 4.68 0.00 2.91 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 97 I 8.04 3.63 1.85 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 1.46 1.04 0.91 0.00 0.00 98 A 8.71 3.99 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 99 E 8.22 3.89 0.00 2.04 2.16 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 2.38 2.33 0.00 100 A 8.27 4.17 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.00 4.03 0.00 1.85 1.86 0.95 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.69 5.18 0.00 3.87 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 0.00 103 R 7.18 4.25 0.00 2.16 1.93 0.00 3.19 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 104 Q 8.16 4.04 0.00 2.17 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.57 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 105 H 7.74 4.74 0.00 3.05 3.24 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 8.00 4.17 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 0.00 107 V 7.24 4.41 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 1.06 0.00 0.00 0.97 0.00 0.00 108 T 8.31 4.67 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 109 I 7.69 4.60 1.93 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 1.26 0.61 1.00 0.00 0.00 110 D 9.71 4.69 0.00 2.72 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 0.00 111 P 0.00 4.66 0.00 2.21 2.10 0.00 3.88 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 112 K 7.40 4.47 0.00 2.01 1.80 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.37 1.39 7.81 113 R 7.89 3.94 0.00 1.99 2.17 0.00 3.34 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 2.02 1.98 0.00 114 L 7.54 3.23 0.00 1.53 1.49 0.81 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.76 3.66 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 0.00 116 L 7.47 4.32 0.00 1.46 1.44 0.80 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 117 E 9.21 4.11 0.00 2.08 1.50 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 2.22 2.24 0.00 118 K 9.23 3.99 0.00 1.74 1.70 0.00 1.72 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.49 1.37 7.81 119 P 0.00 4.41 0.00 2.25 2.24 0.00 3.88 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 2.07 1.98 0.00 120 I 7.45 3.21 1.92 0.00 0.00 1.00 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 0.40 1.13 0.00 0.00 121 K 7.48 4.67 0.00 1.81 1.69 0.00 1.88 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.30 7.81 122 E 6.96 5.08 0.00 2.01 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 2.11 2.09 0.00 123 L 7.90 4.14 0.00 1.61 1.58 0.83 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 124 G 6.55 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 0.00 125 E 8.11 4.38 0.00 1.86 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 0.00 2.25 2.23 0.00 126 Y 8.63 5.10 0.00 2.88 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 0.00 127 V 8.57 4.37 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 0.80 0.00 0.00 0.97 0.00 0.00 128 L 8.12 4.95 0.00 1.77 1.49 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 129 T 7.45 4.23 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 130 Y 8.87 4.90 0.00 3.22 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 0.00 131 K 9.45 4.92 0.00 1.76 1.71 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.63 1.37 7.81 132 P 0.00 4.88 0.00 2.02 2.00 0.00 3.64 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 1.09 1.79 0.00 133 H 8.34 3.95 0.00 3.31 3.23 0.00 5.74 0.00 0.00 0.00 0.00 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.31 0.00 2.11 2.08 0.00 3.64 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 2.02 2.11 0.00 135 E 8.44 4.93 0.00 1.95 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 2.40 2.64 0.00 136 V 8.34 4.61 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 1.00 0.00 0.00 1.03 0.00 0.00 137 P 0.00 5.18 0.00 2.12 2.14 0.00 3.65 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.84 0.00 138 I 8.29 4.46 1.93 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 1.48 0.76 1.08 0.00 0.00 139 Q 8.57 4.70 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.87 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 140 L 9.18 5.82 0.00 1.74 1.61 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.65 4.98 0.00 1.71 1.71 0.00 1.92 0.00 0.00 1.85 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.64 1.28 7.81 142 V 7.92 5.01 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 0.67 0.00 0.00 0.78 0.00 0.00 143 S 8.21 4.67 0.00 3.87 3.68 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 0.00 144 V 7.98 4.27 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 0.71 0.00 0.00 0.90 0.00 0.00 145 V 8.26 3.18 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 0.73 0.00 0.00 0.93 0.00 0.00 *146 A 8.33 4.12 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 * Residues marked with a * may have inaccurate shift predictions.