NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 K 4.2745 8.3149 120.1290 56.6781 34.3048 173.7745 9 L 4.6225 8.1092 119.1201 53.0565 44.0634 174.2996 10 Y 4.4834 8.8466 120.6834 56.6799 41.9858 174.7432 11 C 4.0503 8.3283 122.3736 58.3712 32.4407 173.9601 12 I 3.9166 8.7407 122.2022 64.5508 36.6430 177.3595 13 C 4.3379 8.2719 111.8882 58.2641 30.1371 173.5265 14 K 3.9258 7.7213 118.1885 57.8717 29.4041 173.5941 15 T 4.8362 8.2830 109.6887 58.6077 72.4627 172.9246 16 P 4.8981 0.0000 0.0000 62.4604 31.8463 176.0022 17 Y 3.8641 8.9395 122.7167 57.7422 39.2353 174.3908 18 D 4.7560 8.6429 127.3245 52.0201 41.9093 175.9622 19 E 3.7402 8.8307 128.2980 58.0737 29.5689 177.7066 20 S 4.4384 8.2579 111.0081 58.4208 63.7436 174.1029 21 K 4.3757 7.5710 121.1462 54.8628 33.7292 175.5887 22 F 4.6284 8.3310 124.0338 58.1953 40.4664 173.8812 23 Y 5.0369 7.8861 122.3079 56.0592 41.8911 174.5333 24 I 4.6721 9.2086 121.6763 59.3269 41.3868 174.3640 25 G 3.6634 8.6547 115.8081 44.7644 0.0000 172.3003 26 C 4.7572 8.5232 123.6305 58.1280 32.3252 174.5011 27 D 4.3459 9.1332 127.3204 57.5023 40.7531 178.3902 28 R 4.0097 7.8860 117.4652 59.0397 30.2217 177.3533 29 C 4.2685 7.9203 110.7269 57.9184 30.5485 174.6118 30 Q 3.6902 8.0097 117.9975 56.6089 26.6121 172.8295 31 N 4.6976 7.4119 117.1066 52.9682 40.8277 173.7137 32 W 5.3408 8.5831 122.4785 55.3815 32.0045 174.7253 33 Y 5.2030 9.2819 120.3955 56.2599 42.1142 174.6419 34 H 4.2630 9.0293 120.4468 55.8742 29.5889 176.2731 35 G 4.0071 8.7752 110.5834 48.4344 0.0000 175.9069 36 R 3.9457 8.0904 120.8326 59.2028 29.9190 178.1690 37 C 4.3612 8.0192 115.1803 61.7714 28.0987 174.8433 38 V 4.2475 7.6182 111.2374 60.5630 31.6679 175.5289 39 G 3.8806 7.9481 107.0510 46.8353 0.0000 173.9984 40 I 4.6558 8.0079 120.4248 58.6950 39.6955 176.4894 41 L 4.3295 9.0784 126.1770 53.9978 43.7592 178.0212 42 Q 3.5160 8.3173 121.2499 59.1339 28.4022 179.5061 43 S 4.0917 7.8746 113.5009 61.6077 63.2317 176.0525 44 E 4.0932 7.9749 121.3459 58.9532 29.3533 178.7165 45 A 4.0494 8.1639 121.0753 55.4031 18.2573 179.5765 46 E 4.0683 8.0419 115.7965 59.0669 29.5435 178.5893 47 L 4.4095 7.5056 116.7293 53.8613 42.2417 176.3773 48 I 4.6410 7.1670 112.7622 59.1282 40.0915 175.4418 49 D 4.4644 8.8901 123.8067 57.1119 41.1527 176.3497 50 E 4.9993 7.8293 115.8745 55.1640 32.4286 174.4790 51 Y 4.8898 8.7895 121.4618 56.3076 42.8209 173.7239 52 V 4.1932 7.3114 125.8038 60.5711 33.7731 174.9785 53 C 3.9630 7.9310 122.0807 56.5690 30.4871 172.6868 54 P 4.1305 0.0000 0.0000 66.0034 30.7684 178.9117 55 Q 3.9631 7.8642 115.9119 59.3232 28.7047 178.6030 56 C 4.1234 7.8951 117.1644 62.7513 28.1559 175.7719 57 Q 3.8866 8.2586 121.5364 59.1278 28.5910 178.2054 58 S 4.0782 8.1738 114.2318 61.7857 62.1759 176.3977 59 T 3.9145 7.5844 117.4175 66.5484 68.2442 176.3850 60 E 4.0979 8.3432 120.1488 59.3584 29.5376 178.7197 61 D 4.5437 8.2643 118.1482 57.1735 41.0286 180.2904 62 A 4.1716 7.6173 119.5805 52.3665 18.4726 178.5538 *64 T 4.3548 7.9086 113.1508 63.3862 70.8195 175.3809 65 V 3.8800 7.6247 113.4237 62.3869 32.0441 177.2133 66 L 4.4144 7.6747 118.3898 55.4052 42.8497 177.1081 67 T 4.1468 7.6607 107.7685 60.4460 69.4541 172.2470 68 P 4.6342 0.0000 0.0000 62.9257 32.1852 175.9595 69 L 4.6714 8.5863 124.1888 54.7682 42.4349 177.2845 70 T 4.4030 9.5029 115.2042 60.5794 70.9454 175.8353 71 E 4.0049 8.8254 120.7337 59.3764 29.4087 179.5324 72 K 3.9408 8.0124 119.2202 59.6041 32.2663 178.3975 73 D 4.1662 8.1522 119.1337 57.6633 40.7615 178.4090 74 Y 3.7576 8.4408 117.1816 60.8557 37.7882 178.6059 75 E 4.1212 8.1640 119.3949 59.4825 29.5843 179.5791 76 G 3.5644 7.8013 105.1658 47.6805 0.0000 175.6720 77 L 3.6844 8.1738 121.4089 57.4977 41.4898 179.7081 78 K 4.0410 8.1040 118.4023 59.4245 32.0229 179.3710 79 R 3.9289 8.1187 118.9186 59.4229 30.0670 178.7470 80 V 3.7268 8.3370 118.4383 66.0063 31.5808 177.6319 81 L 4.1351 8.4839 120.4538 58.4743 42.0697 179.1682 82 R 4.3395 8.7137 119.7617 58.7574 29.7470 179.2346 83 S 4.3352 8.0767 113.3518 61.3608 63.3998 176.3724 84 L 4.2437 8.2135 122.6483 57.8582 41.2932 179.4937 85 Q 4.1210 8.7717 118.0008 58.2463 28.4037 177.7525 86 A 4.5052 7.7129 119.3024 51.7346 19.7159 176.9700 87 H 4.1103 7.4004 117.7499 55.5697 30.3792 176.9655 88 K 4.0273 8.3038 124.7434 56.6700 31.2344 177.7112 *90 A 4.5417 8.0921 120.8697 51.0296 20.3343 179.1715 91 W 4.3088 8.4376 113.5984 58.8948 27.8685 175.4770 92 P 3.9701 0.0000 0.0000 63.2751 31.0926 176.3128 93 F 4.8617 7.5359 117.5232 57.2577 39.9028 177.1707 94 L 4.0516 7.8664 122.9500 57.1399 41.7036 176.5431 95 E 4.9253 7.6122 115.2059 53.4622 33.6256 173.2504 96 P 4.3992 0.0000 0.0000 62.3061 31.9812 176.9633 97 V 3.3852 7.4295 120.4132 62.8246 31.9903 175.1117 98 D 4.7325 8.3401 125.9452 52.3358 41.8690 174.9495 99 P 4.3985 0.0000 0.0000 66.0148 31.6195 178.3182 100 N 4.4211 8.7248 115.0258 56.2065 38.5396 176.1063 101 D 4.4980 8.2229 116.9671 56.3576 41.4086 176.9213 102 A 4.6664 7.6404 121.8892 49.8347 20.0350 174.2592 103 P 4.4204 0.0000 0.0000 65.4694 31.9554 177.5309 104 D 4.6324 8.1154 115.5676 54.2878 40.2214 177.1469 105 Y 3.7486 7.8757 121.7440 61.5972 38.3836 177.2988 106 Y 4.3600 7.9436 114.6776 59.2111 38.2216 177.1045 107 G 3.9860 7.9590 106.6375 45.0116 0.0000 174.8404 108 V 4.1329 7.5665 118.5995 61.9479 33.1633 175.6968 109 I 4.0863 7.3817 121.7776 59.3484 37.0267 175.7609 110 K 4.1647 8.4890 126.2313 58.6457 32.3940 177.5621 111 E 4.5956 7.5760 117.0877 53.2762 29.6216 172.8255 112 P 4.3851 0.0000 0.0000 62.1972 32.6143 175.8813 *114 D 4.3815 8.1030 117.3630 52.7614 40.1617 175.6603 115 L 3.9886 8.5672 119.7558 57.7278 42.1000 179.2159 116 A 4.1586 8.0007 120.4966 55.6143 18.6019 180.7857 117 T 3.8957 8.2898 110.7699 64.0853 68.0093 175.9501 *119 E 4.3629 8.2800 124.7344 56.2901 31.5313 177.4132 120 E 4.0288 8.3476 119.0816 59.2657 29.6065 178.9939 121 R 3.8003 8.1656 118.2359 58.9886 29.9651 179.2765 122 V 4.0336 7.9701 117.8486 66.1975 31.5052 177.7145 123 Q 4.0923 8.1252 118.2292 59.0623 29.0014 177.6438 124 R 4.2310 8.2087 116.5478 55.5627 30.5683 176.3600 125 R 4.0432 8.1739 116.9598 57.3575 28.1956 177.1890 126 Y 4.1254 8.5862 120.9788 60.2825 39.1424 175.5237 127 Y 4.6898 7.7705 116.8736 57.4478 39.0070 175.0132 128 E 4.8047 10.1992 121.9391 56.0235 32.3782 176.2141 129 K 5.1215 7.9876 117.1901 53.3832 36.1499 176.6061 130 L 3.8194 8.7649 124.0755 58.8148 41.8537 179.2051 131 T 3.8357 8.1364 112.7788 65.4412 67.2199 175.7714 132 E 4.1146 8.3297 120.5287 59.1602 29.2773 179.0163 133 F 3.3020 7.8711 119.6287 60.9440 39.5552 176.9763 134 V 3.7944 7.9535 116.9036 65.8190 31.7063 177.5369 135 A 4.1787 8.1701 120.6747 55.0426 18.0614 179.9314 136 D 4.3288 7.7054 115.0208 55.2160 40.7374 178.6134 *138 T 4.2939 7.9621 118.5036 63.5610 70.8704 176.6703 139 K 3.8467 7.6591 120.7883 59.3111 32.0562 179.0070 140 I 3.3925 6.8868 120.0642 64.4711 36.9175 178.5260 141 F 4.1354 6.9615 117.4930 60.6799 38.8857 177.4112 142 D 4.3698 8.3653 118.8590 57.3640 40.5348 178.6149 143 N 4.3514 8.5271 117.3644 56.4672 38.6166 176.9245 144 C 4.2411 7.9420 119.4112 62.8319 31.5470 175.9587 145 R 3.8409 7.9407 117.8790 58.7598 29.5306 178.2432 146 Y 4.3130 7.7531 119.1764 60.8680 39.0250 176.6127 147 Y 3.7668 8.3080 119.1308 58.6925 39.2253 175.1888 148 N 5.1057 7.6391 115.9880 50.2839 41.6365 172.7000 149 P 4.4881 0.0000 0.0000 62.1909 32.2479 177.6421 150 S 2.7900 8.1469 114.2765 60.3125 62.7690 174.7292 151 D 4.5578 7.6758 118.2437 53.4212 40.0749 176.8822 152 S 4.4351 8.0069 115.8853 57.6911 64.3020 172.9597 153 P 4.3813 0.0000 0.0000 65.4343 31.1927 179.1407 154 F 4.0260 8.0165 116.6206 60.5892 38.8206 176.9694 155 Y 4.1193 8.2762 118.6788 60.9994 38.6651 177.9541 156 Q 4.2403 8.5182 118.9959 59.1615 28.6816 178.5227 157 C 4.1954 8.5912 117.9800 62.6904 28.1285 175.9966 158 A 3.9584 8.1360 121.9390 55.0634 17.9162 179.4704 159 E 3.7145 8.0495 117.0740 59.5161 29.5888 179.7967 160 V 3.5579 7.9291 118.2691 66.0550 31.6588 177.8671 161 L 3.8749 8.0762 120.3515 57.9534 41.8266 178.5229 162 E 3.3433 7.4695 119.6922 58.7604 29.4372 178.9049 163 S 4.1297 7.8193 114.1192 60.9931 63.0684 176.3680 164 F 4.0820 8.2467 124.5306 61.0267 39.1959 176.8290 165 F 4.3551 8.9111 120.7693 61.4577 39.0115 177.0572 166 V 3.2665 7.7282 116.5075 66.0201 31.5296 177.4812 167 Q 3.9619 7.7552 118.5771 59.1647 28.7253 178.2792 168 K 3.8102 7.7011 118.3370 59.1335 32.3989 178.6070 169 L 3.9887 7.4704 120.1920 55.9417 41.9476 176.9145 170 K 4.0578 7.2111 118.9644 57.7963 32.2984 176.8322 171 G 3.8941 8.8967 110.7040 46.3671 0.0000 174.2699 172 F 4.1782 8.1641 122.6749 60.1401 39.4403 175.3730 173 K 4.0159 7.8187 122.0537 56.9586 32.5390 175.6841 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 8 K 8.31 4.27 0.00 1.49 1.78 0.00 1.14 0.00 0.00 1.55 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.11 0.44 7.81 9 L 8.11 4.62 0.00 1.61 1.58 0.91 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 8.85 4.48 0.00 3.05 3.02 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 11 C 8.33 4.05 0.00 3.25 3.04 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 0.00 0.00 0.00 12 I 8.74 3.92 2.02 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 1.64 0.96 1.00 0.00 0.00 13 C 8.27 4.34 0.00 3.16 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 14 K 7.72 3.93 0.00 1.91 1.86 0.00 1.66 0.00 0.00 1.92 0.00 0.00 3.03 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.63 1.53 7.81 15 T 8.28 4.84 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 1.37 0.00 0.00 16 P 0.00 4.90 0.00 2.15 2.13 0.00 3.76 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 2.08 2.14 0.00 17 Y 8.94 3.86 0.00 2.12 2.69 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 18 D 8.64 4.76 0.00 2.60 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 0.00 0.00 0.00 0.00 19 E 8.83 3.74 0.00 2.06 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 2.33 2.35 0.00 20 S 8.26 4.44 0.00 3.97 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 21 K 7.57 4.38 0.00 1.41 1.39 0.00 1.52 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.32 7.81 22 F 8.33 4.63 0.00 3.09 2.89 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 23 Y 7.89 5.04 0.00 2.52 2.89 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 24 I 9.21 4.67 1.69 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.67 0.77 0.00 0.00 25 G 8.65 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 0.00 0.00 0.00 26 C 8.52 4.76 0.00 3.20 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 27 D 9.13 4.35 0.00 2.61 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 28 R 7.89 4.01 0.00 1.74 1.93 0.00 3.31 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 29 C 7.92 4.27 0.00 3.11 3.18 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 30 Q 8.01 3.69 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 31 N 7.41 4.70 0.00 2.75 2.66 0.00 0.00 7.11 7.83 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 32 W 8.58 5.34 0.00 3.08 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 33 Y 9.28 5.20 0.00 3.06 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 34 H 9.03 4.26 0.00 3.11 3.10 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 35 G 8.78 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 36 R 8.09 3.95 0.00 1.91 1.95 0.00 3.18 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 37 C 8.02 4.36 0.00 3.34 3.12 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 38 V 7.62 4.25 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 0.65 0.00 0.00 1.02 0.00 0.00 39 G 7.95 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 40 I 8.01 4.66 1.84 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.87 0.91 0.00 0.00 41 L 9.08 4.33 0.00 1.63 1.51 0.95 0.75 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 42 Q 8.32 3.52 0.00 1.73 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.88 0.00 0.00 0.00 0.00 0.00 1.16 1.73 0.00 43 S 7.87 4.09 0.00 3.98 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 44 E 7.97 4.09 0.00 2.15 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 2.39 2.35 0.00 45 A 8.16 4.05 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.04 4.07 0.00 1.97 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 2.38 2.48 0.00 47 L 7.51 4.41 0.00 1.79 1.71 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.17 4.64 2.09 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 1.48 0.71 1.02 0.00 0.00 49 D 8.89 4.46 0.00 2.72 2.78 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 50 E 7.83 5.00 0.00 1.85 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 2.23 2.29 0.00 51 Y 8.79 4.89 0.00 3.07 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 52 V 7.31 4.19 1.83 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 0.73 0.00 0.00 0.80 0.00 0.00 53 C 7.93 3.96 0.00 2.31 2.61 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 54 P 0.00 4.13 0.00 2.10 2.12 0.00 3.27 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 2.06 2.16 0.00 55 Q 7.86 3.96 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 56 C 7.90 4.12 0.00 2.97 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.26 3.89 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.52 0.00 58 S 8.17 4.08 0.00 4.00 4.05 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 59 T 7.58 3.91 4.36 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 1.20 0.00 0.00 60 E 8.34 4.10 0.00 2.01 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 2.49 0.00 61 D 8.26 4.54 0.00 2.76 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.62 4.17 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 *64 T 7.91 4.35 4.28 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 1.29 0.00 0.00 65 V 7.62 3.88 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 0.72 0.00 0.00 0.96 0.00 0.00 66 L 7.67 4.41 0.00 1.63 1.72 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 67 T 7.66 4.15 4.26 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 1.22 0.00 0.00 68 P 0.00 4.63 0.00 1.99 2.06 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 69 L 8.59 4.67 0.00 1.82 1.87 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 70 T 9.50 4.40 4.26 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 1.23 0.00 0.00 71 E 8.83 4.00 0.00 2.01 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 2.38 2.30 0.00 72 K 8.01 3.94 0.00 1.77 1.76 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.43 7.81 73 D 8.15 4.17 0.00 3.11 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 74 Y 8.44 3.76 0.00 3.24 3.11 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 0.00 75 E 8.16 4.12 0.00 2.22 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 76 G 7.80 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 77 L 8.17 3.68 0.00 1.59 1.22 -0.04 -0.32 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 78 K 8.10 4.04 0.00 2.07 1.94 0.00 1.88 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.57 1.79 7.81 79 R 8.12 3.93 0.00 1.94 2.18 0.00 3.13 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 80 V 8.34 3.73 2.38 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 1.31 0.00 0.00 1.13 0.00 0.00 81 L 8.48 4.14 0.00 2.19 1.93 0.97 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.71 4.34 0.00 2.12 2.05 0.00 3.25 0.00 0.00 3.38 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.83 0.00 83 S 8.08 4.34 0.00 4.41 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.21 4.24 0.00 2.03 1.83 1.13 1.27 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 85 Q 8.77 4.12 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.43 2.62 0.00 86 A 7.71 4.51 1.42 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 0.00 0.00 0.00 87 H 7.40 4.11 0.00 3.08 3.17 0.00 5.77 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.30 4.03 0.00 1.79 1.88 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.40 7.81 *90 A 8.09 4.54 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.44 4.31 0.00 3.50 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 92 P 0.00 3.97 0.00 1.14 0.79 0.00 2.69 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.58 0.00 93 F 7.54 4.86 0.00 2.99 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 94 L 7.87 4.05 0.00 1.74 1.75 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 95 E 7.61 4.93 0.00 1.87 1.79 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 2.21 2.26 0.00 96 P 0.00 4.40 0.00 2.07 2.05 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.42 0.00 97 V 7.43 3.39 1.13 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 0.07 0.00 0.00 -0.17 0.00 0.00 98 D 8.34 4.73 0.00 2.70 2.50 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 99 P 0.00 4.40 0.00 2.27 2.25 0.00 3.70 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.40 0.00 100 N 8.72 4.42 0.00 2.79 2.90 0.00 0.00 7.08 7.96 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 0.00 101 D 8.22 4.50 0.00 2.69 2.69 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 0.00 102 A 7.64 4.67 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 0.00 103 P 0.00 4.42 0.00 2.10 2.20 0.00 3.74 0.00 0.00 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1.70 1.66 0.36 0.55 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 0.00 131 T 8.14 3.84 4.37 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 1.24 0.00 0.00 132 E 8.33 4.11 0.00 2.47 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 0.00 2.40 2.47 0.00 133 F 7.87 3.30 0.00 2.17 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 0.00 134 V 7.95 3.79 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 1.01 0.00 0.00 1.06 0.00 0.00 135 A 8.17 4.18 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 D 7.71 4.33 0.00 2.74 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *138 T 7.96 4.29 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 1.28 0.00 0.00 139 K 7.66 3.85 0.00 1.90 1.74 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.55 7.81 140 I 6.89 3.39 0.73 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 1.23 0.68 0.06 0.00 0.00 141 F 6.96 4.14 0.00 2.91 2.78 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 0.00 142 D 8.37 4.37 0.00 2.71 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 0.00 143 N 8.53 4.35 0.00 2.91 2.92 0.00 0.00 6.66 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 0.00 144 C 7.94 4.24 0.00 3.36 3.18 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 0.00 145 R 7.94 3.84 0.00 1.71 1.80 0.00 2.80 0.00 0.00 2.92 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.31 0.00 146 Y 7.75 4.31 0.00 3.04 3.29 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 0.00 147 Y 8.31 3.77 0.00 3.12 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 0.00 148 N 7.64 5.11 0.00 3.08 2.91 0.00 0.00 7.04 7.34 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 0.00 149 P 0.00 4.49 0.00 2.37 2.12 0.00 3.78 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.95 0.00 150 S 8.15 2.79 0.00 3.37 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 0.00 151 D 7.68 4.56 0.00 2.77 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 0.00 152 S 8.01 4.44 0.00 4.07 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 0.00 153 P 0.00 4.38 0.00 2.05 2.09 0.00 3.68 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 2.09 2.19 0.00 154 F 8.02 4.03 0.00 3.20 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 0.00 155 Y 8.28 4.12 0.00 3.21 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 0.00 156 Q 8.52 4.24 0.00 2.36 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.67 2.62 0.00 157 C 8.59 4.20 0.00 3.18 3.10 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 0.00 158 A 8.14 3.96 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 0.00 159 E 8.05 3.71 0.00 2.23 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 2.40 2.68 0.00 160 V 7.93 3.56 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 1.06 0.00 0.00 1.05 0.00 0.00 161 L 8.08 3.87 0.00 1.95 1.53 0.63 1.15 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 0.00 162 E 7.47 3.34 0.00 1.16 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 2.15 2.17 0.00 163 S 7.82 4.13 0.00 4.07 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 F 8.25 4.08 0.00 3.24 3.28 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 0.00 165 F 8.91 4.36 0.00 3.32 3.34 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 0.00 166 V 7.73 3.27 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 0.78 0.00 0.00 0.98 0.00 0.00 167 Q 7.76 3.96 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.55 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 168 K 7.70 3.81 0.00 1.83 1.82 0.00 1.79 0.00 0.00 1.52 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.70 1.49 7.81 169 L 7.47 3.99 0.00 1.53 1.38 0.44 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 170 K 7.21 4.06 0.00 1.84 1.70 0.00 1.99 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.55 7.81 171 G 8.90 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 0.00 172 F 8.16 4.18 0.00 3.14 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 0.00 173 K 7.82 4.02 0.00 1.80 1.69 0.00 1.90 0.00 0.00 2.06 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.49 7.81 * Residues marked with a * may have inaccurate shift predictions.