NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.8701 8.3649 120.3397 53.3314 40.8879 174.3177 6 F 4.8351 8.7108 124.6111 55.1548 41.3360 170.3624 7 E 3.7581 8.4914 121.8128 58.0873 30.6567 174.3616 8 E 3.7977 8.1682 134.6028 55.6101 27.8188 172.8052 9 K 4.6800 9.0327 127.8376 54.3902 34.8142 174.4730 10 M 4.6771 8.6931 125.7074 55.1203 32.3323 174.2538 11 I 4.2393 8.7174 127.8373 61.4792 37.3479 179.3504 12 L 4.1797 9.0960 132.9979 56.2859 43.6009 175.1448 13 I 5.5747 8.5526 126.2812 60.8750 40.0500 174.0279 14 R 4.7409 8.8521 123.4249 53.5873 33.0323 175.6019 15 R 4.4690 7.9554 118.3483 55.0499 28.9316 175.5576 16 T 4.0654 7.8642 114.2228 63.0574 68.8916 172.7455 17 A 4.7521 8.1925 126.0964 50.0726 22.8441 175.3343 18 R 4.5645 8.2887 115.9986 54.5060 32.4358 174.8516 19 M 4.6109 8.4621 121.6679 54.7512 33.2400 175.6254 20 Q 4.4139 8.9688 123.2984 54.1054 32.6755 173.2830 21 A 4.0350 8.4166 126.7032 53.7094 19.0399 176.4028 22 G 4.2225 9.0543 109.4674 44.1616 0.0000 175.1378 23 G 4.1319 7.1661 108.6738 46.0134 0.0000 172.1352 24 R 4.7084 8.3677 120.5194 54.4369 31.9778 175.6744 25 R 4.5496 8.5129 124.0261 55.6922 32.2404 175.1030 26 F 4.9785 8.7566 121.4100 56.5060 42.5537 174.2357 27 R 5.0431 7.1229 122.8371 56.9805 33.8244 174.7275 28 F 4.8977 8.9251 125.7907 57.0970 41.2389 174.7361 29 G 4.5100 9.3851 106.0937 45.0227 0.0000 171.7079 30 A 5.3862 9.0938 122.6749 50.1374 23.0801 174.9909 31 L 4.6895 9.6590 126.0732 53.8941 43.3683 175.2227 32 V 4.7050 8.7216 126.9653 61.1128 34.4685 174.4521 33 V 4.7176 8.4851 125.5641 61.1106 34.1961 174.4641 34 V 4.7833 8.1577 126.0023 61.3917 35.3126 174.1519 35 G 4.2867 8.2903 110.7749 45.3619 0.0000 174.1706 36 D 4.5714 9.4313 122.3773 54.6267 40.1131 177.6621 37 R 4.3192 8.5510 117.9207 56.1344 28.3701 176.9744 38 Q 4.3985 10.7000 117.3967 55.7374 30.1414 175.4171 39 G 3.7010 7.5194 113.0820 45.2601 0.0000 172.1043 40 R 5.1922 7.8738 119.9843 54.4126 33.9041 175.1060 41 V 4.7137 8.0333 114.9616 60.2308 36.9294 173.4781 42 G 4.5582 9.8831 113.0610 44.1737 0.0000 171.5182 43 L 4.8577 8.4567 129.5229 53.4004 43.0600 175.8591 44 G 4.3543 8.8305 113.2648 44.3376 0.0000 170.8268 45 F 5.7591 8.8474 123.8478 56.3019 42.0988 174.1040 46 G 4.1533 8.9426 111.9371 44.6059 0.0000 171.1815 47 K 5.1883 8.0333 119.1568 54.7198 36.4081 175.0420 48 A 4.4417 8.4902 121.3959 50.5304 23.1032 175.8255 49 P 4.4003 0.0000 0.0000 63.4246 32.1211 175.8524 50 E 4.3913 8.9246 118.4523 54.0767 33.0135 176.4157 51 V 3.3759 7.3075 122.3123 66.3740 31.5247 176.0609 52 P 3.8939 0.0000 0.0000 66.3136 30.9886 177.8420 53 L 3.8120 8.0694 116.0716 58.3363 41.9416 179.3129 54 A 4.2422 8.1796 119.4992 55.5868 18.2515 179.8080 55 V 3.5707 7.9676 115.3521 66.4045 31.9346 177.5687 56 Q 4.0658 8.3733 119.2178 59.1754 29.0477 178.1184 57 K 3.9270 9.2767 121.2242 59.7021 32.0700 178.2972 58 A 4.3570 8.1573 119.9940 55.2713 18.6245 179.4254 59 G 3.7863 8.2877 104.3851 48.3635 0.0000 174.5638 60 Y 4.1286 8.2123 121.1282 61.1660 38.2849 177.7681 61 Y 3.9312 8.0771 116.6938 60.4694 37.9638 179.0908 62 A 3.7949 8.0515 122.2813 55.2672 18.5159 179.8211 63 R 3.5256 7.4378 114.3357 58.7841 30.1700 178.3349 64 R 4.2818 6.8842 116.1085 56.3553 31.2911 175.9983 65 N 4.8798 8.6458 117.2772 52.6416 40.0295 172.3417 66 M 5.8568 8.4838 121.7127 52.0477 35.7921 174.9642 67 V 4.6191 7.9275 119.5900 59.5375 35.4471 174.2834 68 E 4.4193 8.8440 121.6292 56.5552 30.2478 175.9941 69 V 4.1514 8.6179 125.9237 59.7257 32.5373 176.1519 70 P 4.4948 0.0000 0.0000 61.4492 29.9527 177.3356 71 L 4.0954 7.8592 118.5257 55.9927 41.8897 178.8314 72 Q 4.4094 8.1591 127.4835 53.7695 27.9982 175.9644 73 N 4.6031 8.2443 114.7018 54.7491 37.8551 173.5716 74 G 4.1586 8.2678 99.6768 46.4157 0.0000 172.2384 75 T 4.4962 7.4474 118.6422 60.4234 69.1720 173.4194 76 I 4.5187 8.2352 118.8536 58.3484 40.4718 171.9801 77 P 4.1615 0.0000 0.0000 65.8050 31.1576 176.5766 78 H 5.0817 7.5837 114.3855 52.7180 31.7049 171.9771 79 E 4.9555 8.5445 117.9846 55.3799 31.2354 175.8118 80 I 4.7900 8.4368 115.0939 59.5316 41.8426 173.5943 81 E 5.0951 8.7404 121.8498 54.6869 32.4440 175.3000 82 V 4.4275 8.7500 124.6876 61.0731 34.3585 173.8165 83 E 4.8056 8.9085 127.2637 54.9381 30.9927 176.2596 84 F 4.8352 9.6319 126.4678 56.1799 40.9635 175.4643 85 G 3.7457 8.1000 118.6827 45.1543 0.0000 172.6261 86 A 4.4122 8.6147 129.3774 51.6794 19.7894 176.6241 87 S 4.9887 7.6375 113.4467 56.9357 64.5895 173.5263 88 K 5.1262 8.7290 125.6896 54.9099 36.0242 174.3404 89 I 4.9496 8.1590 122.0475 60.0015 41.7460 173.6005 90 V 5.0639 8.8336 121.6070 59.5838 35.4413 174.7104 91 L 4.9159 8.8882 122.8738 52.9531 45.5519 175.4539 92 K 4.6836 9.3966 126.0656 53.5300 34.6611 173.7800 93 P 4.7431 0.0000 0.0000 63.3048 32.1644 174.9217 94 A 4.8124 7.9950 120.2458 50.3697 22.7880 175.5124 95 A 4.2636 8.4666 120.9384 50.8898 19.3835 175.9384 96 P 5.1748 0.0000 0.0000 63.8264 31.8478 176.6804 97 G 3.8834 9.1933 108.0595 47.0767 0.0000 174.2555 98 T 4.2238 9.0739 115.2330 65.2261 70.7558 174.5704 99 G 3.7828 7.7715 105.8564 44.2120 0.0000 172.2320 100 V 4.6857 7.7113 116.2816 60.8175 31.0144 174.6458 101 I 4.0818 8.1325 115.8982 60.5959 37.8214 175.4092 102 A 5.5275 7.5593 128.5975 50.4520 22.8165 175.4570 103 G 3.7710 8.8690 106.9067 44.5814 0.0000 174.7489 104 A 4.1148 8.5409 121.7587 53.6099 18.4457 177.7784 105 V 4.2139 7.8649 114.5115 63.7755 33.4550 176.0055 106 P 4.3256 0.0000 0.0000 65.4432 30.7834 177.5007 107 R 3.9889 7.8569 119.0817 58.5452 29.9689 177.8316 108 A 4.0661 7.8025 121.2416 54.9925 18.7069 178.8591 109 I 4.0178 7.5614 117.6994 63.8434 38.0123 177.9402 110 L 4.0227 7.7537 119.2182 57.5497 41.3427 179.5487 111 E 3.8971 8.7743 119.8683 59.4235 29.7471 178.8427 112 L 4.0700 7.8939 117.7723 57.1412 41.7794 179.0546 113 A 4.0821 8.0359 121.2469 52.8180 19.1452 177.1275 114 G 4.3504 8.2379 104.1156 47.8080 0.0000 172.2668 115 V 4.5950 7.4514 116.0238 61.4184 34.8526 174.7428 116 T 4.3537 9.1921 117.0633 64.4318 71.0556 173.4371 117 D 5.5566 7.7946 122.4512 51.6500 43.3693 174.6370 118 I 4.5590 7.9400 123.1482 59.4758 41.9660 173.1479 119 L 4.8255 9.2002 130.2090 54.0321 43.5544 175.8911 120 T 5.0853 8.0105 112.0559 58.8211 73.1668 172.2986 121 K 4.4613 7.9789 117.1532 56.0219 35.2802 172.8733 122 E 5.0067 8.4226 126.9664 54.8982 31.7678 175.0323 123 L 4.6019 8.4394 123.4788 53.2024 45.5530 177.3951 124 G 3.6707 8.7216 107.4562 46.4581 0.0000 175.0484 125 S 4.1936 9.2227 120.6448 58.2707 62.1546 174.7453 126 R 4.2987 8.4888 126.4935 56.3959 29.7343 176.1855 127 N 4.2777 7.9914 118.2020 53.0746 38.6406 172.7617 128 P 4.0653 0.0000 0.0000 65.8822 31.2250 178.3002 129 I 3.6201 7.5572 117.7528 65.0950 37.5639 178.0176 130 N 4.5982 8.0795 116.3187 56.1442 38.4097 177.5222 131 I 3.8632 8.1331 121.7102 64.2393 37.2608 177.6938 132 A 3.9585 8.8079 122.4424 55.3194 18.0332 178.8534 133 Y 3.7359 8.5242 113.8276 61.1809 37.8662 179.1311 134 A 3.9011 7.6680 119.7061 55.6351 18.6224 179.2227 135 T 3.9595 8.2310 114.4173 67.9984 68.4759 175.5995 136 M 3.9636 8.0748 119.7581 57.5650 31.5724 178.0390 137 E 3.8038 7.8350 124.5897 59.4467 30.4930 179.1397 138 A 4.1872 8.2282 122.1168 54.3921 18.6413 179.2522 139 L 3.8618 7.7869 116.0180 57.9338 41.8406 179.9369 140 R 3.7082 7.9709 116.0704 58.3230 29.8664 176.1810 141 Q 4.5376 7.7879 118.1463 55.9793 29.3543 174.4118 142 L 4.4936 8.5577 117.9194 53.1992 42.2343 176.3756 143 R 4.6236 8.6350 123.1783 54.6150 31.6766 175.9352 144 T 4.4810 8.7454 112.1409 60.0192 70.4075 175.7267 145 K 3.8556 8.7953 124.1116 60.7504 32.0242 177.4783 146 A 4.2436 8.0847 121.0532 53.6280 17.8829 178.0395 147 D 4.4576 7.7097 120.8293 55.1332 40.1180 178.8515 148 V 3.7848 8.0174 120.8977 65.5535 31.3071 177.3126 149 E 4.0146 8.2982 118.6941 59.0748 29.2426 179.3261 150 R 3.8320 8.0514 117.9166 59.6912 30.1616 177.7627 151 L 4.1454 7.5037 117.1389 57.5560 42.3155 178.9581 152 R 4.3167 7.3652 117.3163 55.6261 29.7237 177.4174 153 K 4.2189 7.8285 118.0424 58.8642 32.8187 176.5076 154 G 4.1575 8.2825 103.8129 46.9553 0.0000 173.9358 *155 E 4.1319 8.2479 118.7958 55.9673 30.4399 177.7281 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 5 D 8.36 4.87 0.00 2.86 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 6 F 8.71 4.84 0.00 2.96 3.22 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 0.00 7 E 8.49 3.76 0.00 2.02 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 2.36 2.33 0.00 8 E 8.17 3.80 0.00 2.21 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 2.20 2.31 0.00 9 K 9.03 4.68 0.00 1.85 1.63 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.40 7.81 10 M 8.69 4.68 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.59 0.00 11 I 8.72 4.24 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 1.12 0.57 0.91 0.00 0.00 12 L 9.10 4.18 0.00 1.68 1.50 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.55 5.57 1.97 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 1.09 0.98 1.09 0.00 0.00 14 R 8.85 4.74 0.00 1.90 2.08 0.00 2.97 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 15 R 7.96 4.47 0.00 1.79 1.90 0.00 2.88 0.00 0.00 3.03 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.58 0.00 16 T 7.86 4.07 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 1.33 0.00 0.00 17 A 8.19 4.75 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.29 4.56 0.00 1.82 1.95 0.00 2.74 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.50 0.00 19 M 8.46 4.61 0.00 1.88 1.98 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.39 0.00 20 Q 8.97 4.41 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.78 0.00 0.00 0.00 0.00 0.00 2.24 2.44 0.00 21 A 8.42 4.04 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 22 G 9.05 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 0.00 0.00 0.00 0.00 23 G 7.17 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 0.00 0.00 0.00 0.00 24 R 8.37 4.71 0.00 1.47 1.77 0.00 3.09 0.00 0.00 2.96 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 25 R 8.51 4.55 0.00 2.00 1.82 0.00 3.11 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 26 F 8.76 4.98 0.00 2.74 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.12 5.04 0.00 1.94 1.85 0.00 3.26 0.00 0.00 3.24 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.44 0.00 28 F 8.93 4.90 0.00 3.07 3.17 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 29 G 9.39 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.09 5.39 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 31 L 9.66 4.69 0.00 1.46 1.56 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.72 4.71 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 0.91 0.00 0.00 1.08 0.00 0.00 33 V 8.49 4.72 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 0.90 0.00 0.00 0.92 0.00 0.00 34 V 8.16 4.78 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 0.84 0.00 0.00 0.90 0.00 0.00 35 G 8.29 4.29 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 0.00 36 D 9.43 4.57 0.00 2.78 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 37 R 8.55 4.32 0.00 2.07 2.32 0.00 3.12 0.00 0.00 3.18 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 38 Q 10.70 4.40 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.43 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 39 G 7.52 3.70 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 0.00 0.00 0.00 40 R 7.87 5.19 0.00 2.18 1.86 0.00 3.24 0.00 0.00 3.68 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 41 V 8.03 4.71 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 0.69 0.00 0.00 0.88 0.00 0.00 42 G 9.88 4.56 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 43 L 8.46 4.86 0.00 1.53 1.42 0.93 0.86 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 44 G 8.83 4.35 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 0.00 45 F 8.85 5.76 0.00 2.96 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 46 G 8.94 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.03 5.19 0.00 1.51 1.93 0.00 1.30 0.00 0.00 1.48 0.00 0.00 2.33 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.10 0.91 7.81 48 A 8.49 4.44 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 49 P 0.00 4.40 0.00 2.11 2.20 0.00 3.76 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 2.08 2.16 0.00 50 E 8.92 4.39 0.00 1.89 1.64 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 2.04 1.98 0.00 51 V 7.31 3.38 1.87 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 0.93 0.00 0.00 0.23 0.00 0.00 52 P 0.00 3.89 0.00 2.14 1.94 0.00 3.46 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 53 L 8.07 3.81 0.00 1.73 1.70 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.18 4.24 1.48 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 55 V 7.97 3.57 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.02 0.00 0.00 56 Q 8.37 4.07 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.38 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 57 K 9.28 3.93 0.00 1.86 2.15 0.00 1.77 0.00 0.00 1.89 0.00 0.00 3.18 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.94 1.65 7.81 58 A 8.16 4.36 1.62 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 0.00 0.00 59 G 8.29 3.79 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 0.00 0.00 0.00 60 Y 8.21 4.13 0.00 2.93 3.06 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 61 Y 8.08 3.93 0.00 3.27 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 62 A 8.05 3.79 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 63 R 7.44 3.53 0.00 1.77 1.94 0.00 3.21 0.00 0.00 3.21 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.83 0.00 64 R 6.88 4.28 0.00 1.37 1.87 0.00 2.99 0.00 0.00 3.02 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 65 N 8.65 4.88 0.00 2.70 2.51 0.00 0.00 6.87 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 66 M 8.48 5.86 0.00 1.78 1.81 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.15 0.00 67 V 7.93 4.62 2.02 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 0.80 0.00 0.00 0.90 0.00 0.00 68 E 8.84 4.42 0.00 1.98 2.02 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 2.27 2.36 0.00 69 V 8.62 4.15 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 0.77 0.00 0.00 1.00 0.00 0.00 70 P 0.00 4.49 0.00 2.09 2.06 0.00 3.74 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 71 L 7.86 4.10 0.00 1.63 1.68 1.05 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.16 4.41 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.47 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 73 N 8.24 4.60 0.00 2.74 3.20 0.00 0.00 7.30 7.98 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 74 G 8.27 4.16 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 0.00 0.00 0.00 75 T 7.45 4.50 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 76 I 8.24 4.52 1.85 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 1.48 0.78 0.95 0.00 0.00 77 P 0.00 4.16 0.00 2.44 2.17 0.00 3.73 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.02 0.00 78 H 7.58 5.08 0.00 3.25 3.31 0.00 5.51 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.54 4.96 0.00 1.85 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 0.00 2.24 2.35 0.00 80 I 8.44 4.79 1.88 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 1.18 0.60 0.88 0.00 0.00 81 E 8.74 5.10 0.00 1.83 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 2.20 2.27 0.00 82 V 8.75 4.43 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 1.09 0.00 0.00 1.02 0.00 0.00 83 E 8.91 4.81 0.00 1.92 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 2.26 2.31 0.00 84 F 9.63 4.84 0.00 2.99 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 85 G 8.10 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 86 A 8.61 4.41 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 87 S 7.64 4.99 0.00 4.03 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 88 K 8.73 5.13 0.00 1.83 1.62 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.36 7.81 89 I 8.16 4.95 1.89 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 1.23 1.14 0.99 0.00 0.00 90 V 8.83 5.06 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 0.71 0.00 0.00 0.99 0.00 0.00 91 L 8.89 4.92 0.00 1.69 1.50 0.91 0.56 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 92 K 9.40 4.68 0.00 1.73 1.63 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.34 7.81 93 P 0.00 4.74 0.00 2.11 2.18 0.00 3.76 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 94 A 8.00 4.81 1.22 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 0.00 0.00 0.00 95 A 8.47 4.26 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 96 P 0.00 5.17 0.00 2.05 2.01 0.00 3.74 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 97 G 9.19 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 98 T 9.07 4.22 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 1.21 0.00 0.00 99 G 7.77 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 0.00 100 V 7.71 4.69 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 0.87 0.00 0.00 0.97 0.00 0.00 101 I 8.13 4.08 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 1.16 0.72 0.91 0.00 0.00 102 A 7.56 5.53 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 G 8.87 3.77 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 0.00 104 A 8.54 4.11 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 0.00 105 V 7.86 4.21 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 1.01 0.00 0.00 0.93 0.00 0.00 106 P 0.00 4.33 0.00 2.30 2.30 0.00 3.78 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 2.25 2.03 0.00 107 R 7.86 3.99 0.00 1.92 2.01 0.00 3.14 0.00 0.00 3.17 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 108 A 7.80 4.07 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 0.00 109 I 7.56 4.02 1.85 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 1.61 1.03 0.87 0.00 0.00 110 L 7.75 4.02 0.00 1.78 1.73 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.77 3.90 0.00 2.10 1.94 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 2.31 2.35 0.00 112 L 7.89 4.07 0.00 1.73 1.80 1.01 0.88 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 0.00 113 A 8.04 4.08 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 0.00 114 G 8.24 4.35 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 0.00 115 V 7.45 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 0.95 0.00 0.00 1.00 0.00 0.00 116 T 9.19 4.35 4.33 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 1.21 0.00 0.00 117 D 7.79 5.56 0.00 2.55 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 0.00 118 I 7.94 4.56 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 1.33 1.14 0.91 0.00 0.00 119 L 9.20 4.83 0.00 1.72 1.56 0.92 0.45 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 0.00 120 T 8.01 5.09 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 0.00 121 K 7.98 4.46 0.00 1.85 1.64 0.00 1.58 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.27 1.37 7.81 122 E 8.42 5.01 0.00 1.96 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 2.32 2.32 0.00 123 L 8.44 4.60 0.00 1.60 1.53 0.93 0.73 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 0.00 124 G 8.72 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 0.00 125 S 9.22 4.19 0.00 3.80 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 0.00 126 R 8.49 4.30 0.00 1.84 1.92 0.00 3.27 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 127 N 7.99 4.28 0.00 2.73 2.68 0.00 0.00 7.20 6.98 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 0.00 128 P 0.00 4.07 0.00 2.13 1.95 0.00 3.66 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 129 I 7.56 3.62 1.68 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.45 0.46 0.00 0.00 130 N 8.08 4.60 0.00 2.80 2.93 0.00 0.00 7.07 7.41 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 0.00 131 I 8.13 3.86 2.12 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.98 0.96 0.00 0.00 132 A 8.81 3.96 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 0.00 133 Y 8.52 3.74 0.00 2.78 2.22 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 0.00 134 A 7.67 3.90 1.53 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 0.00 0.00 135 T 8.23 3.96 4.39 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 1.18 0.00 0.00 136 M 8.07 3.96 0.00 1.89 2.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.73 0.00 137 E 7.83 3.80 0.00 1.81 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 2.22 2.47 0.00 138 A 8.23 4.19 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.79 3.86 0.00 1.63 1.71 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 140 R 7.97 3.71 0.00 1.74 1.94 0.00 3.32 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 141 Q 7.79 4.54 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.52 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 142 L 8.56 4.49 0.00 1.74 1.60 0.91 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.64 4.62 0.00 1.75 1.83 0.00 3.36 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 144 T 8.75 4.48 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 1.22 0.00 0.00 145 K 8.80 3.86 0.00 1.81 1.90 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.52 1.50 7.81 146 A 8.08 4.24 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 0.00 147 D 7.71 4.46 0.00 2.79 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 0.00 148 V 8.02 3.78 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 1.00 0.00 0.00 0.90 0.00 0.00 149 E 8.30 4.01 0.00 2.03 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 2.33 2.45 0.00 150 R 8.05 3.83 0.00 1.80 2.08 0.00 3.25 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 151 L 7.50 4.15 0.00 1.74 1.72 0.97 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 152 R 7.37 4.32 0.00 1.84 1.93 0.00 3.17 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 153 K 7.83 4.22 0.00 1.74 1.81 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.65 1.39 7.81 154 G 8.28 4.16 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 0.00 0.00 0.00 *155 E 8.25 4.13 0.00 1.75 1.78 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.