NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5154 8.3049 118.2397 55.7746 32.1856 174.7579 2 T 3.6508 8.8684 116.0811 63.8488 72.1171 172.5140 3 H 3.8816 8.8828 122.6714 55.6065 25.5312 173.4322 4 D 4.4194 7.9444 125.5113 51.6769 41.5863 179.5836 5 N 4.5521 8.0944 116.9192 52.2549 37.7216 174.6443 6 K 4.6295 8.2335 112.8233 55.8805 34.2351 177.2091 7 L 4.1029 8.1512 122.3666 59.6556 40.6557 178.5565 *8 Q 4.6628 7.7034 115.7124 52.8922 30.3554 177.0132 9 V 4.4097 7.5301 121.8846 62.3160 32.5047 174.5898 10 E 4.4155 7.4650 122.4868 54.6385 32.3886 177.2729 11 A 3.7484 7.4124 119.5089 52.4630 15.6100 176.5419 12 I 4.2980 7.9848 115.0468 60.1093 39.4704 175.3829 13 K 3.6856 8.0629 120.7078 55.4237 34.0428 171.9951 14 R 4.5546 7.9140 131.1310 54.8087 31.0285 175.6412 15 G 3.1358 6.9545 112.1465 45.8091 0.0000 169.8663 16 T 5.0452 7.7789 116.0648 61.6268 72.2874 173.6524 17 V 4.5942 8.8621 125.0814 61.2639 34.6374 174.2265 18 I 4.8174 8.6712 129.7421 60.0532 38.5286 174.3529 19 D 5.0823 8.5852 126.7986 52.2244 44.8898 174.5801 20 H 3.7690 8.2880 118.1774 57.0977 28.1463 174.5917 21 I 4.1339 7.3620 119.8985 59.9086 38.3743 174.3537 22 P 3.9776 0.0000 0.0000 64.7584 31.6443 175.7008 23 A 4.6620 8.5955 120.0054 53.6587 21.9090 177.4104 24 Q 3.7076 9.0347 119.7257 56.9012 26.9028 174.9319 25 I 4.3390 7.3739 118.5050 62.5891 37.5587 177.9091 26 G 3.7390 8.1726 106.9497 48.0982 0.0000 175.4215 27 F 4.1782 8.2997 123.2436 60.5088 39.4273 177.1215 28 K 3.7817 8.1739 117.7052 59.4599 31.8801 179.0747 29 L 4.1277 8.2539 119.5074 57.7284 41.6309 179.5531 30 L 3.9507 7.9164 118.9254 58.0530 41.3906 179.4321 31 S 3.8961 7.8803 115.4235 61.4687 62.4953 176.6110 32 L 3.5805 7.9916 121.7036 57.3413 41.4519 178.5698 33 F 4.8064 7.9557 113.9401 56.1500 39.3566 175.7298 34 K 3.8398 7.6937 119.6907 57.3589 29.9845 176.6049 35 L 4.2052 7.4146 117.7407 56.9804 41.8089 178.9277 36 T 4.1193 7.6928 108.6889 63.5029 69.3742 175.7805 37 E 4.2085 8.0127 120.7805 56.9511 29.1622 176.2989 38 T 4.3694 7.2547 114.4871 63.0034 69.7106 173.9975 39 D 4.7528 8.3116 119.3975 54.1850 41.8465 175.8033 40 Q 4.3388 7.6337 116.8106 55.5702 30.1888 175.3222 41 R 4.1714 8.3033 118.2385 56.4854 31.0061 176.0789 42 I 4.9523 8.3744 123.9699 59.7707 40.4324 175.0253 43 T 4.7764 8.8886 121.8051 61.8747 72.1766 173.1121 44 I 4.9840 8.4203 124.7953 59.5026 41.4106 174.6809 45 G 4.1933 9.0254 113.4487 44.4117 0.0000 172.0565 46 L 5.1610 8.4527 124.5493 53.8889 44.8677 176.4672 47 N 4.0592 8.8566 116.0716 54.2848 36.2083 173.4962 48 L 4.7001 8.6001 120.5993 52.3542 44.9556 175.3749 49 P 4.9043 0.0000 0.0000 61.6988 31.7730 174.4618 50 S 4.7161 8.3736 121.5592 58.4885 65.5988 178.8935 51 G 4.0088 9.3135 118.0603 46.8821 0.0000 172.7656 52 E 4.4840 8.4820 121.1678 56.2153 27.6558 175.5228 53 M 4.7267 8.3244 119.6655 54.7806 38.6759 175.4040 54 G 4.3205 8.3212 116.0027 43.8425 0.0000 172.7559 55 R 5.6325 7.4979 119.8261 53.5904 32.7432 174.9700 56 K 5.2639 8.0853 119.0815 56.9654 36.1564 173.5416 57 D 5.4431 8.9051 119.4938 52.7214 45.0002 175.0365 58 L 4.8032 8.5432 120.0898 54.1345 46.1623 174.2032 59 I 4.9200 8.8175 125.1445 59.4316 41.3961 174.3746 60 K 4.8972 9.4160 125.8857 54.7255 35.3188 175.2083 61 I 4.5427 8.6269 127.2144 59.4069 39.1408 175.3864 62 E 4.2915 8.6760 127.0699 56.7000 30.6915 177.7799 63 N 4.1599 8.8364 117.9614 54.0605 37.3567 174.4282 64 T 4.5927 7.1085 114.5501 61.4901 70.9739 173.6472 65 F 4.8191 8.9004 122.6072 54.2846 41.9668 174.4400 66 L 4.8231 8.0556 124.9655 54.1911 43.0247 175.6482 67 S 4.4080 8.4663 114.8198 59.1170 66.7757 175.2459 68 E 3.9396 8.3932 122.2621 57.7342 27.8452 175.8963 69 D 4.2194 8.3563 125.5339 56.1162 40.5616 178.6557 70 Q 3.9147 7.7839 119.2010 58.9943 28.4602 178.6187 71 V 3.6477 7.7307 118.5876 65.8561 31.5624 177.4044 72 D 4.4992 7.5725 118.0903 56.6692 40.5798 178.5737 73 Q 4.1992 7.7772 117.6136 58.4523 28.8841 178.1525 74 L 4.1378 7.5469 118.8123 56.9395 40.4148 178.9092 75 A 4.0609 7.9345 121.4726 55.2780 18.0331 179.6098 76 L 4.0664 8.0508 115.8706 57.1417 41.7069 178.0392 77 Y 4.6265 7.4906 115.2430 58.1084 40.9423 176.0975 78 A 4.8243 8.5404 121.8693 50.2958 19.0288 175.0587 79 P 4.4083 0.0000 0.0000 64.2815 32.3123 178.0538 80 Q 4.4669 7.9081 115.8746 55.4531 29.2059 175.1335 81 A 4.7478 7.5099 120.1003 51.6627 19.5976 177.5036 82 T 4.7761 8.9145 115.4716 61.7156 72.4375 173.7816 83 V 4.5013 8.9164 125.3778 61.4018 34.1149 173.7538 84 N 5.3779 9.3791 126.7352 51.8433 40.6115 174.0813 85 R 5.2251 9.1651 124.5205 54.7955 32.7272 174.7609 86 I 5.0113 8.9959 126.2678 59.6537 41.3133 173.8458 87 D 4.9114 9.0489 126.0841 52.8166 44.4165 174.8077 88 N 3.9452 9.4862 124.0593 55.1422 37.1066 173.7705 89 Y 3.5445 7.3622 110.9960 58.4054 36.6612 169.9525 90 E 4.7717 8.2251 120.3883 54.2734 32.3531 176.5558 91 V 4.1559 8.1909 123.4628 63.2322 28.9912 175.7324 92 V 3.9732 7.9255 119.5610 61.8917 32.5536 176.9112 93 G 4.1017 7.8739 107.8358 45.5618 0.0000 172.6624 94 K 5.1288 8.8444 124.5660 54.7138 34.8972 175.3969 95 S 4.9003 9.1637 119.4047 56.5001 66.2241 172.5072 96 R 5.1259 8.2601 120.2026 53.9043 34.0826 173.4420 97 P 4.7034 0.0000 0.0000 62.0554 32.6577 175.8659 98 S 4.6918 8.4949 114.8683 56.3728 66.7756 174.5412 99 L 3.9953 8.5158 123.6541 54.5449 41.7508 176.1938 100 P 4.6319 0.0000 0.0000 62.3559 33.1482 174.9445 101 E 4.6443 8.6341 113.7058 56.7984 31.3205 175.4784 102 R 5.0227 7.7515 119.7109 54.7310 33.3203 174.1505 103 I 4.5711 8.6016 125.9090 59.8337 39.8420 174.2939 104 D 5.0501 8.9015 127.7101 54.4943 42.1455 178.3464 105 N 4.5265 9.2646 121.3744 54.4285 38.4218 176.1973 106 V 3.7123 7.9909 116.1741 63.9954 31.8839 175.6780 107 L 4.6030 7.7527 118.5448 53.1431 43.5249 175.5044 108 V 4.4826 7.7670 118.3057 60.9326 34.1292 174.4555 109 C 4.4994 8.9811 127.8817 59.1043 31.7628 171.5145 110 P 4.1826 0.0000 0.0000 63.7423 31.6311 175.6230 111 N 4.6791 7.9033 119.5308 52.6794 38.5605 175.4422 112 S 4.1696 8.6391 121.4092 60.5915 63.3397 174.4820 113 N 4.6115 8.0913 117.7603 53.7988 38.8206 174.5386 114 C 4.2946 8.0864 118.9095 60.1708 31.9830 174.1447 115 I 3.8697 8.2582 125.7954 63.1397 37.9567 177.7241 116 S 3.8299 7.0499 114.5209 60.9476 62.9538 175.5854 117 H 4.1992 7.5913 117.9197 59.0303 28.4176 176.8345 118 A 4.1577 7.9017 119.4796 53.6099 18.5525 176.7537 119 E 4.7719 7.5470 114.1157 53.3226 33.1790 175.0937 120 P 4.6365 0.0000 0.0000 63.0704 29.9326 176.3939 121 V 4.5671 7.1647 109.5547 60.4127 35.5730 175.9414 122 S 4.7621 8.4511 118.1455 57.6878 64.0428 174.5502 123 S 4.5136 8.6367 117.8128 59.0615 64.5578 172.8468 124 S 5.1195 8.0090 114.1451 57.4254 65.6924 172.8733 125 F 5.2246 8.6171 124.1688 55.5370 43.0312 173.8451 126 A 4.5301 8.9898 126.3639 51.8710 19.2993 176.8081 127 V 4.5628 8.1245 123.2475 62.5775 33.0843 175.0648 128 R 4.3198 8.8880 120.7810 55.9951 33.2072 172.4987 129 K 4.0489 8.8257 122.1616 56.1834 29.6147 174.6263 130 R 3.7240 8.1180 120.8383 57.5381 30.8619 176.5494 131 A 4.1425 8.0402 121.0247 53.2558 16.8461 176.8886 132 N 4.6322 8.9131 119.2810 53.7855 38.5344 173.0634 133 D 4.0257 8.1869 115.9709 53.8548 41.2131 174.5335 134 I 4.0125 6.7029 121.3555 59.2292 36.8575 173.2682 135 A 5.2641 8.5952 127.3875 50.0737 22.2551 174.8769 136 L 5.2209 8.7995 120.5600 52.8614 45.2704 175.3701 137 K 5.0806 9.0129 125.7890 54.5133 34.3716 174.9329 138 C 3.7187 8.7740 128.3993 59.0685 32.1950 173.8925 139 K 3.5376 8.2450 128.0901 60.1965 31.6536 177.7152 140 Y 4.1705 7.9460 116.0453 60.7185 37.0592 176.3764 141 C 4.3689 8.1209 112.5420 58.0377 30.6020 173.3405 142 E 4.0661 7.8366 117.9809 56.1588 27.1435 174.1519 143 K 4.3540 7.2778 114.1539 54.9928 34.3296 175.6133 144 E 4.9322 8.2499 124.8172 54.5214 31.5582 174.6929 145 F 5.0831 8.9459 124.4678 55.4141 43.7589 174.1287 146 S 4.8211 8.6378 114.2125 57.7562 63.3320 174.1618 147 H 4.0995 9.4265 124.9071 59.0592 27.8336 177.4328 148 N 4.0448 7.7094 118.1448 55.5500 37.1010 176.8413 149 V 3.6394 7.6752 120.1105 65.8708 31.5012 178.2798 150 V 3.4309 7.5516 115.9300 65.8109 31.4304 177.4191 151 L 4.0890 7.8845 117.5179 56.7128 41.4942 178.9861 152 A 4.0975 7.7191 120.7255 53.1233 18.5532 176.7747 153 N 3.7838 7.8658 118.4883 54.5805 39.5052 173.9028 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 8.30 4.52 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 2 T 8.87 3.65 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 1.29 0.00 0.00 3 H 8.88 3.88 0.00 3.31 3.39 0.00 5.89 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 7.94 4.42 0.00 2.80 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 5 N 8.09 4.55 0.00 3.13 3.10 0.00 0.00 5.47 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 6 K 8.23 4.63 0.00 1.80 1.88 0.00 1.47 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.29 1.46 7.81 7 L 8.15 4.10 0.00 1.78 1.85 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 *8 Q 7.70 4.66 0.00 2.10 1.89 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 2.22 2.16 0.00 9 V 7.53 4.41 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 1.23 0.00 0.00 0.97 0.00 0.00 10 E 7.47 4.42 0.00 2.07 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 2.37 0.00 11 A 7.41 3.75 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 7.98 4.30 1.79 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 1.42 0.58 0.92 0.00 0.00 13 K 8.06 3.69 0.00 1.22 0.74 0.00 1.70 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.24 1.26 7.81 14 R 7.91 4.55 0.00 1.99 1.88 0.00 3.40 0.00 0.00 3.30 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.97 0.00 15 G 6.95 3.14 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 0.00 16 T 7.78 5.05 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 1.22 0.00 0.00 17 V 8.86 4.59 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 0.85 0.00 0.00 0.91 0.00 0.00 18 I 8.67 4.82 1.86 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 1.08 0.56 0.90 0.00 0.00 19 D 8.59 5.08 0.00 2.79 2.48 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 20 H 8.29 3.77 0.00 3.45 3.52 0.00 5.91 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 21 I 7.36 4.13 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.57 0.99 0.00 0.00 22 P 0.00 3.98 0.00 2.23 1.97 0.00 3.75 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 23 A 8.60 4.66 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 9.03 3.71 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.92 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 25 I 7.37 4.34 1.95 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 1.53 1.28 1.08 0.00 0.00 26 G 8.17 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 27 F 8.30 4.18 0.00 3.12 3.09 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 28 K 8.17 3.78 0.00 2.01 1.68 0.00 1.82 0.00 0.00 1.93 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.59 7.81 29 L 8.25 4.13 0.00 1.87 1.76 0.95 0.58 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 30 L 7.92 3.95 0.00 1.57 1.54 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.88 3.90 0.00 3.65 3.61 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 32 L 7.99 3.58 0.00 1.20 0.37 0.67 0.22 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 33 F 7.96 4.81 0.00 3.17 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 34 K 7.69 3.84 0.00 1.85 1.94 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.49 1.35 7.81 35 L 7.41 4.21 0.00 1.75 1.71 0.97 0.77 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 36 T 7.69 4.12 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 37 E 8.01 4.21 0.00 2.16 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 2.31 2.32 0.00 38 T 7.25 4.37 4.22 0.00 0.00 0.00 0.00 0.00 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 39 D 8.31 4.75 0.00 2.58 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.63 4.34 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.70 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 41 R 8.30 4.17 0.00 1.74 1.84 0.00 3.06 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 42 I 8.37 4.95 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 1.32 0.74 0.92 0.00 0.00 43 T 8.89 4.78 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 44 I 8.42 4.98 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.61 0.98 0.00 0.00 45 G 9.03 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.45 5.16 0.00 1.48 1.54 0.97 1.15 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 47 N 8.86 4.06 0.00 2.78 2.79 0.00 0.00 6.87 8.32 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 48 L 8.60 4.70 0.00 1.76 1.54 0.92 0.87 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 49 P 0.00 4.90 0.00 2.17 2.09 0.00 3.93 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 2.04 1.97 0.00 50 S 8.37 4.72 0.00 3.82 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 9.31 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.48 4.48 0.00 1.97 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 2.32 2.28 0.00 53 M 8.32 4.73 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.57 0.00 54 G 8.32 4.32 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 0.00 55 R 7.50 5.63 0.00 1.71 1.86 0.00 3.28 0.00 0.00 3.94 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.46 0.00 56 K 8.09 5.26 0.00 1.74 1.77 0.00 1.42 0.00 0.00 1.64 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.24 7.81 57 D 8.91 5.44 0.00 2.60 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 58 L 8.54 4.80 0.00 1.68 1.43 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.82 4.92 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 1.24 0.56 0.89 0.00 0.00 60 K 9.42 4.90 0.00 1.59 1.65 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.36 7.81 61 I 8.63 4.54 1.77 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 1.19 0.61 0.84 0.00 0.00 62 E 8.68 4.29 0.00 1.89 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 0.00 2.26 2.44 0.00 63 N 8.84 4.16 0.00 2.75 2.87 0.00 0.00 6.78 7.47 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 64 T 7.11 4.59 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 65 F 8.90 4.82 0.00 3.01 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 66 L 8.06 4.82 0.00 1.88 1.64 0.89 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.47 4.41 0.00 3.87 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 68 E 8.39 3.94 0.00 2.24 1.85 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 2.28 2.34 0.00 69 D 8.36 4.22 0.00 2.95 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 7.78 3.91 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 7.03 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 71 V 7.73 3.65 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.92 0.00 0.00 72 D 7.57 4.50 0.00 2.87 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 7.78 4.20 0.00 1.73 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.00 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 74 L 7.55 4.14 0.00 1.79 1.69 0.84 0.43 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 75 A 7.93 4.06 1.40 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 76 L 8.05 4.07 0.00 1.47 1.04 0.74 0.66 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 77 Y 7.49 4.63 0.00 3.17 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.54 4.82 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 79 P 0.00 4.41 0.00 2.20 2.40 0.00 3.77 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 2.00 2.00 0.00 80 Q 7.91 4.47 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.09 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 81 A 7.51 4.75 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 82 T 8.91 4.78 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 1.29 0.00 0.00 83 V 8.92 4.50 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 1.08 0.00 0.00 0.92 0.00 0.00 84 N 9.38 5.38 0.00 2.74 2.74 0.00 0.00 6.11 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 85 R 9.17 5.23 0.00 1.99 1.99 0.00 2.96 0.00 0.00 2.84 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 86 I 9.00 5.01 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.41 0.86 0.00 0.00 87 D 9.05 4.91 0.00 2.74 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 88 N 9.49 3.95 0.00 2.86 2.83 0.00 0.00 7.20 7.54 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 89 Y 7.36 3.54 0.00 3.25 3.14 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 90 E 8.23 4.77 0.00 2.07 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 2.29 2.39 0.00 91 V 8.19 4.16 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 0.87 0.00 0.00 0.96 0.00 0.00 92 V 7.93 3.97 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 0.79 0.00 0.00 0.91 0.00 0.00 93 G 7.87 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 94 K 8.84 5.13 0.00 1.61 1.72 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.69 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.63 1.40 7.81 95 S 9.16 4.90 0.00 3.85 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 96 R 8.26 5.13 0.00 1.67 1.76 0.00 3.26 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 97 P 0.00 4.70 0.00 2.05 2.19 0.00 3.79 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 98 S 8.49 4.69 0.00 3.94 3.69 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 0.00 0.00 0.00 0.00 99 L 8.52 4.00 0.00 1.63 1.63 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.63 0.00 2.33 2.12 0.00 3.75 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 101 E 8.63 4.64 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 102 R 7.75 5.02 0.00 1.81 1.82 0.00 2.99 0.00 0.00 2.25 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 103 I 8.60 4.57 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.92 1.09 0.00 0.00 104 D 8.90 5.05 0.00 2.70 2.64 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 0.00 0.00 0.00 0.00 105 N 9.26 4.53 0.00 2.89 3.01 0.00 0.00 6.88 7.67 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 0.00 106 V 7.99 3.71 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 0.72 0.00 0.00 0.47 0.00 0.00 107 L 7.75 4.60 0.00 1.73 1.32 0.83 0.68 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 0.00 108 V 7.77 4.48 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 0.96 0.00 0.00 109 C 8.98 4.50 0.00 3.17 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 0.00 110 P 0.00 4.18 0.00 1.79 1.96 0.00 3.34 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.02 0.00 111 N 7.90 4.68 0.00 3.33 3.04 0.00 0.00 6.95 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 0.00 112 S 8.64 4.17 0.00 3.99 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 0.00 113 N 8.09 4.61 0.00 2.75 2.91 0.00 0.00 7.11 7.19 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 0.00 114 C 8.09 4.29 0.00 3.17 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 I 8.26 3.87 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.94 0.73 0.00 0.00 116 S 7.05 3.83 0.00 3.97 3.66 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 0.00 117 H 7.59 4.20 0.00 3.13 3.40 0.00 5.85 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 0.00 118 A 7.90 4.16 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 0.00 119 E 7.55 4.77 0.00 1.79 1.75 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 2.12 2.08 0.00 120 P 0.00 4.64 0.00 2.17 2.12 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 121 V 7.16 4.57 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.59 0.00 0.00 122 S 8.45 4.76 0.00 3.81 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 0.00 123 S 8.64 4.51 0.00 4.14 4.12 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 0.00 124 S 8.01 5.12 0.00 3.86 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 0.00 125 F 8.62 5.22 0.00 2.85 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 A 8.99 4.53 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 0.00 127 V 8.12 4.56 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 0.83 0.00 0.00 0.99 0.00 0.00 128 R 8.89 4.32 0.00 1.91 1.98 0.00 2.97 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 129 K 8.83 4.05 0.00 1.90 1.85 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.61 1.44 7.81 130 R 8.12 3.72 0.00 1.90 1.83 0.00 3.20 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 131 A 8.04 4.14 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 0.00 132 N 8.91 4.63 0.00 2.81 2.94 0.00 0.00 6.99 7.81 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 0.00 133 D 8.19 4.03 0.00 2.73 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 I 6.70 4.01 1.55 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 0.95 0.98 0.91 0.00 0.00 135 A 8.60 5.26 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 0.00 136 L 8.80 5.22 0.00 1.64 1.61 0.76 0.57 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 0.00 137 K 9.01 5.08 0.00 2.00 1.70 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.32 7.81 138 C 8.77 3.72 0.00 3.21 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 0.00 139 K 8.24 3.54 0.00 1.58 1.33 0.00 1.58 0.00 0.00 1.07 0.00 0.00 2.47 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.64 1.10 7.81 140 Y 7.95 4.17 0.00 2.97 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 0.00 141 C 8.12 4.37 0.00 3.17 3.25 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 0.00 142 E 7.84 4.07 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 2.18 2.38 0.00 143 K 7.28 4.35 0.00 1.34 1.01 0.00 1.58 0.00 0.00 1.50 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.59 7.81 144 E 8.25 4.93 0.00 1.87 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 2.17 2.44 0.00 145 F 8.95 5.08 0.00 2.97 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 0.00 146 S 8.64 4.82 0.00 3.91 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 0.00 147 H 9.43 4.10 0.00 3.27 3.55 0.00 5.34 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 N 7.71 4.04 0.00 2.80 2.84 0.00 0.00 5.95 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 0.00 149 V 7.68 3.64 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 0.91 0.00 0.00 0.94 0.00 0.00 150 V 7.55 3.43 1.85 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 0.58 0.00 0.00 0.70 0.00 0.00 151 L 7.88 4.09 0.00 1.82 1.63 0.78 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 152 A 7.72 4.10 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 0.00 153 N 7.87 3.78 0.00 2.71 2.68 0.00 0.00 6.80 7.56 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 * Residues marked with a * may have inaccurate shift predictions.