NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 P 4.6529 0.0000 0.0000 62.7550 32.8110 175.2455 9 V 4.2758 8.3847 116.2782 58.7391 34.1896 171.1858 10 E 5.2688 8.6488 125.4644 54.2944 32.5703 174.8995 11 V 4.7910 8.9365 126.0960 60.1328 34.5803 174.6206 12 T 5.1176 8.7058 113.2717 60.4220 71.8910 172.7526 13 Y 4.8014 8.7739 122.7548 57.7949 42.7211 174.6534 14 K 3.1592 7.7435 126.3690 57.9700 31.0637 178.1160 15 N 4.4100 8.5141 120.0633 52.4646 36.2983 175.0848 *17 R 4.1539 7.4578 118.8260 56.8793 32.2449 174.7374 18 F 5.6620 9.5187 124.8506 55.6045 43.0898 174.0800 19 L 4.9915 9.1906 124.1961 53.5094 44.6625 175.4781 20 I 4.6597 8.8609 129.3226 60.8477 38.1127 174.9003 21 T 4.8941 8.4368 123.3586 60.6763 70.1376 172.7961 22 H 4.7427 8.6980 118.1892 53.8260 30.8094 174.2192 23 N 3.9649 8.3631 120.3279 52.6185 39.0557 173.3375 24 P 4.3168 0.0000 0.0000 61.5609 33.5256 174.4877 25 T 4.6560 7.6016 106.7826 59.4633 71.3391 174.4959 26 N 4.2134 8.8258 119.1366 56.5999 38.6130 177.2557 27 A 4.2082 7.4521 119.4117 54.0041 18.8596 177.9270 28 T 4.5977 7.7932 105.8167 60.9331 69.4208 175.9850 29 L 3.9736 7.6472 125.6395 58.7590 41.9233 178.6460 30 N 4.3655 8.1200 116.0699 56.3525 38.6060 177.3963 31 K 4.0279 8.0120 119.3938 59.1486 32.2148 178.8923 32 F 4.2732 8.1992 120.9409 61.6058 39.2572 177.1894 33 I 3.5244 8.2415 119.6399 64.3283 36.8876 177.9520 34 E 3.8880 8.2964 120.0484 59.4324 29.4196 178.8691 35 E 3.9778 8.2739 118.4809 59.2902 29.4924 179.1736 36 L 4.0078 7.8320 119.0372 57.8518 41.6491 179.7360 37 K 3.9383 8.2300 118.4837 59.4982 31.7432 179.5899 38 K 4.0060 7.6100 117.3610 59.0595 32.0197 178.1305 39 Y 4.4150 7.7438 114.7197 57.3339 38.3969 175.7055 40 G 3.9369 7.9945 108.6939 46.5038 0.0000 173.8622 41 V 4.8874 8.2290 112.7468 60.5198 32.3910 176.3810 42 T 4.6777 8.3956 111.8871 61.6760 70.5377 173.2267 43 T 5.1822 7.6639 118.3462 62.5291 73.4320 172.4933 44 I 5.0424 9.0241 126.2355 59.4509 40.9742 174.5906 45 V 4.4600 8.7346 126.0846 61.1653 34.2023 174.3685 46 R 4.5591 8.9306 128.3154 55.0240 31.3942 177.1399 47 V 4.4257 8.0339 116.7150 60.9803 32.7143 175.1173 48 C 5.0984 7.3143 118.1267 55.3363 43.8099 172.9854 49 E 3.8308 8.9396 120.2972 57.4315 29.6207 177.3347 50 A 4.2496 8.3834 128.8011 51.5375 18.8929 176.9392 51 T 4.5673 8.3007 111.6028 61.6845 69.7832 173.4564 52 Y 4.8781 6.9001 118.6968 55.0728 41.1291 174.3119 53 D 4.4613 8.7872 121.2364 54.7619 42.0784 176.6296 54 T 4.6318 8.3281 114.8879 61.7318 69.4257 176.4314 55 T 3.8648 8.1216 114.3863 65.4555 68.4243 176.1987 56 L 4.0233 7.8809 120.3193 57.0911 42.0018 179.2637 57 V 3.7963 7.8221 117.6262 66.2271 31.5334 177.7302 58 E 4.4074 8.5602 120.0203 58.9233 29.1035 179.4837 59 K 4.1866 8.1013 116.9905 58.4425 32.1191 178.0937 60 E 4.5157 7.8138 117.7253 55.7773 29.5337 176.6687 61 G 3.8022 7.9709 106.9306 45.5735 0.0000 173.5713 62 I 4.5445 7.4498 120.5352 59.3256 39.4731 174.2372 63 H 5.1783 8.8466 128.4687 55.2820 31.0069 173.9770 64 V 4.7276 8.5952 125.7681 61.0827 33.4646 174.6473 65 L 4.4066 8.6895 127.5089 52.8812 44.6774 175.2457 66 D 4.9997 8.5594 123.7969 52.3144 41.5634 176.3187 67 W 5.3304 8.3371 125.9966 54.1628 28.7884 173.4640 68 P 4.6216 0.0000 0.0000 62.6830 31.7585 177.7576 69 F 4.4789 8.1534 119.2007 56.6256 42.0396 172.6158 *72 G 3.9082 8.1953 107.8444 44.2961 0.0000 174.6063 73 A 3.8944 8.8576 129.0964 51.6769 18.2970 176.0635 74 P 3.7830 0.0000 0.0000 61.2128 32.0578 174.7241 75 P 3.7325 0.0000 0.0000 62.1075 31.8831 177.5552 76 S 4.3045 8.2764 117.3075 58.2287 65.0178 175.1395 77 N 4.3412 8.6561 120.1115 56.4927 38.1515 177.5087 78 Q 3.8534 7.9122 120.5263 59.1516 29.2430 178.0972 79 I 3.1371 7.4257 120.4095 64.1228 37.0528 178.5316 80 V 3.6734 7.7572 118.9541 66.2078 31.4142 177.7516 81 D 4.3970 8.2408 118.6229 57.6090 40.6664 178.6152 82 D 4.2947 8.2003 119.6929 56.8068 40.5666 178.6502 83 W 4.7239 8.4279 129.2970 60.8580 30.8571 178.1530 84 L 3.9273 8.5228 119.2564 57.7277 41.0237 179.5380 85 S 4.1281 8.2666 113.3793 60.9914 62.2286 176.0024 86 L 3.9143 8.0784 123.2392 58.0690 41.8835 179.0082 87 V 3.3327 7.7050 118.5369 65.7480 29.9704 177.6481 88 K 3.9322 7.9467 119.2328 59.7029 32.0676 178.5990 89 I 3.7856 7.6359 118.5003 63.8466 37.8944 177.8770 90 K 3.7425 7.9538 119.4396 59.5975 31.7377 179.2445 91 F 4.4316 7.0697 113.8929 59.1988 38.7879 177.0300 92 R 4.2907 7.0268 116.2838 58.6773 30.5514 177.8037 93 E 4.2261 8.4822 116.1196 57.8101 31.3054 176.7451 94 E 4.6254 8.3044 119.8151 52.5789 29.7502 172.1979 95 P 4.3877 0.0000 0.0000 64.4959 31.7951 177.7932 96 G 3.8967 9.0814 109.9688 45.6063 0.0000 172.8566 97 C 4.6488 7.7333 114.6314 57.4251 31.1592 172.0508 98 C 5.2625 8.5893 118.7176 57.7562 34.9072 172.3723 99 I 4.8892 8.6291 125.4039 59.6635 39.2153 174.6580 100 A 5.3080 9.1068 129.2647 50.8712 21.5574 175.9826 101 V 5.0619 8.9557 119.7546 61.8104 35.4900 173.7086 102 H 5.2073 8.7905 121.0130 53.8981 32.4445 174.8600 103 C 4.8764 8.7965 117.3841 56.7737 42.8621 175.5780 104 V 4.1459 8.6240 105.6404 61.4838 34.3120 174.7121 105 A 4.3545 7.6154 121.2023 50.2054 19.1620 175.9869 106 G 3.8132 8.3548 108.9506 44.4620 0.0000 170.5540 107 L 3.9494 8.5721 117.2271 57.2439 42.6060 178.4690 108 G 3.6479 7.4508 105.7334 47.1083 0.0000 174.4411 109 R 4.3528 8.3207 121.0300 55.7240 28.6711 177.7147 110 A 3.9071 7.9366 123.0213 55.0726 18.3446 178.0338 111 P 4.0775 0.0000 0.0000 64.6750 31.3555 178.6206 112 V 3.8531 7.7186 119.0423 66.4099 31.5296 177.7883 113 L 3.5977 7.2472 118.2923 57.4851 41.2203 179.7360 114 V 3.2686 7.5388 117.5354 65.8204 31.4640 177.7168 115 A 4.0788 8.1949 120.5012 55.1851 18.1307 179.5819 116 L 3.6941 7.8497 117.2456 57.8607 41.6852 179.6069 117 A 4.2653 8.4890 120.7326 55.2793 18.1272 179.7258 118 L 4.0591 7.9597 116.6194 57.9548 41.9427 179.4859 119 I 3.8886 8.0673 119.9846 64.4341 36.8751 178.1651 120 E 4.2401 8.5400 119.2170 59.0032 29.5587 178.5074 121 G 3.8904 8.0160 104.3490 44.9999 0.0000 172.0667 122 G 3.4158 7.6392 109.7439 45.7735 0.0000 174.0142 *124 K 4.1531 7.6406 118.9788 55.8588 35.1569 176.2222 125 Y 4.1225 8.5189 119.3847 60.5479 37.5818 178.6659 126 E 3.2934 7.0216 119.5870 58.9365 29.4547 178.8087 127 D 4.2241 7.7856 118.1429 57.2718 40.9376 178.5054 128 A 3.9202 7.7462 121.1368 55.1320 18.2985 179.8486 129 V 3.4234 7.7516 116.7310 66.2209 31.5714 178.3294 130 Q 3.9945 8.2467 117.9258 58.9292 28.3320 178.4011 131 F 4.1059 8.4134 121.0614 61.3840 39.5688 176.9273 132 I 4.0212 8.0853 119.4266 64.3094 36.7708 178.5735 133 R 4.1360 8.4434 118.9187 58.9523 29.6235 178.6978 134 Q 3.8315 8.0138 118.5973 58.1390 29.0057 177.2635 135 K 4.5743 7.1810 117.9093 56.4045 33.9646 176.1997 136 R 4.4145 8.1339 119.4921 53.7995 30.9701 174.9815 137 R 3.9648 8.8741 121.2160 59.2039 29.1225 178.3504 138 G 3.8219 8.0026 103.5703 44.8710 0.0000 173.3352 139 A 3.6488 7.6609 123.3992 53.0531 18.7737 173.9649 140 F 4.2926 8.1652 128.6261 57.4445 39.2872 175.3505 141 N 4.9136 9.1914 123.5452 50.9807 40.8191 175.7797 142 S 4.0858 8.5786 113.6667 61.8197 62.1956 175.9493 143 K 3.9370 8.1889 120.1246 59.8698 31.7912 179.0600 144 Q 4.2103 8.7312 118.1518 59.0765 28.6479 179.0695 145 L 3.9914 8.0856 119.9640 57.8336 41.4581 179.5649 146 L 3.9440 7.6589 117.5749 57.7524 41.6827 178.7220 147 Y 4.2383 8.1262 119.5015 60.8022 38.6891 178.0651 148 L 3.4372 8.0329 120.1269 57.3635 41.3703 179.1138 149 E 2.5400 7.3604 118.5733 57.6592 29.5332 177.9077 150 K 4.3090 6.9386 115.4994 54.8893 32.9921 175.9068 151 Y 3.8297 6.7327 122.1355 57.5544 38.9967 175.4241 152 R 4.1653 7.5976 126.7275 53.4541 30.4678 174.3218 153 P 4.2985 0.0000 0.0000 62.0939 33.7949 177.4202 154 K 4.0687 8.5749 123.6377 57.6705 30.0104 179.4928 *156 R 4.3158 9.0627 128.8814 56.2728 32.2961 175.6431 157 L 4.0043 7.9264 118.4275 54.5969 42.1884 176.4061 158 R 4.5939 7.9398 121.7461 54.5320 32.1987 176.3568 159 F 4.3851 8.4467 118.5950 57.7977 39.8819 174.8866 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 P 0.00 4.65 0.00 1.96 2.14 0.00 3.75 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 1.94 2.09 0.00 9 V 8.38 4.28 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.92 0.00 0.00 10 E 8.65 5.27 0.00 1.87 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 0.00 2.24 2.42 0.00 11 V 8.94 4.79 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 1.11 0.00 0.00 1.37 0.00 0.00 12 T 8.71 5.12 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 1.28 0.00 0.00 13 Y 8.77 4.80 0.00 2.74 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.74 3.16 0.00 1.61 1.07 0.00 0.98 0.00 0.00 0.88 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 15 N 8.51 4.41 0.00 2.83 2.89 0.00 0.00 5.77 7.66 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 *17 R 7.46 4.15 0.00 1.85 2.03 0.00 3.40 0.00 0.00 3.38 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 18 F 9.52 5.66 0.00 3.19 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 19 L 9.19 4.99 0.00 1.58 1.48 0.15 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.86 4.66 1.87 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 1.15 0.70 0.86 0.00 0.00 21 T 8.44 4.89 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 1.48 0.00 0.00 22 H 8.70 4.74 0.00 3.10 3.17 0.00 5.95 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 23 N 8.36 3.96 0.00 2.78 2.66 0.00 0.00 7.00 7.69 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 24 P 0.00 4.32 0.00 1.35 0.65 0.00 3.09 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 25 T 7.60 4.66 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 1.14 0.00 0.00 26 N 8.83 4.21 0.00 2.82 2.94 0.00 0.00 6.72 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 27 A 7.45 4.21 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.79 4.60 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 1.17 0.00 0.00 29 L 7.65 3.97 0.00 2.01 1.72 0.68 0.78 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 30 N 8.12 4.37 0.00 2.78 2.86 0.00 0.00 7.16 7.60 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 31 K 8.01 4.03 0.00 1.84 1.89 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.51 7.81 32 F 8.20 4.27 0.00 3.09 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 33 I 8.24 3.52 2.06 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 1.44 0.72 0.90 0.00 0.00 34 E 8.30 3.89 0.00 2.13 2.15 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 2.29 2.34 0.00 35 E 8.27 3.98 0.00 2.21 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 0.00 2.53 2.57 0.00 36 L 7.83 4.01 0.00 1.65 1.59 0.28 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.23 3.94 0.00 2.00 1.84 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.58 7.81 38 K 7.61 4.01 0.00 1.66 1.63 0.00 1.80 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.63 7.81 39 Y 7.74 4.42 0.00 3.13 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.99 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 0.00 0.00 0.00 41 V 8.23 4.89 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 0.80 0.00 0.00 0.91 0.00 0.00 42 T 8.40 4.68 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 1.25 0.00 0.00 43 T 7.66 5.18 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 44 I 9.02 5.04 1.94 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.78 1.06 0.00 0.00 45 V 8.73 4.46 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 0.99 0.00 0.00 46 R 8.93 4.56 0.00 1.69 1.68 0.00 2.97 0.00 0.00 2.96 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.45 0.00 47 V 8.03 4.43 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 0.00 0.00 1.06 0.00 0.00 0.63 0.00 0.00 48 C 7.31 5.10 0.00 2.60 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 49 E 8.94 3.83 0.00 1.88 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 50 A 8.38 4.25 1.11 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 0.00 0.00 51 T 8.30 4.57 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 52 Y 6.90 4.88 0.00 2.96 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 53 D 8.79 4.46 0.00 2.68 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 54 T 8.33 4.63 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 1.16 0.00 0.00 55 T 8.12 3.86 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 1.25 0.00 0.00 56 L 7.88 4.02 0.00 1.68 1.83 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.82 3.80 2.35 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 1.20 0.00 0.00 1.16 0.00 0.00 58 E 8.56 4.41 0.00 2.15 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 2.51 2.39 0.00 59 K 8.10 4.19 0.00 1.97 1.89 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.62 7.81 60 E 7.81 4.52 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 61 G 7.97 3.80 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 0.00 0.00 0.00 62 I 7.45 4.54 2.04 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 1.36 1.30 0.92 0.00 0.00 63 H 8.85 5.18 0.00 3.26 3.16 0.00 5.79 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.60 4.73 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 0.77 0.00 0.00 1.05 0.00 0.00 65 L 8.69 4.41 0.00 0.72 0.20 0.53 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.56 5.00 0.00 2.51 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 67 W 8.34 5.33 0.00 3.40 3.01 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 68 P 0.00 4.62 0.00 2.06 2.02 0.00 4.02 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.99 0.00 69 F 8.15 4.48 0.00 2.97 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 *72 G 8.20 3.91 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 0.00 0.00 0.00 73 A 8.86 3.89 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 74 P 0.00 3.78 0.00 1.73 0.72 0.00 3.56 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.75 0.00 75 P 0.00 3.73 0.00 1.65 1.21 0.00 3.01 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.44 0.00 76 S 8.28 4.30 0.00 4.01 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 77 N 8.66 4.34 0.00 2.74 2.91 0.00 0.00 6.48 8.01 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 78 Q 7.91 3.85 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.91 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 79 I 7.43 3.14 1.90 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.32 0.94 0.00 0.00 80 V 7.76 3.67 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 1.34 0.00 0.00 0.97 0.00 0.00 81 D 8.24 4.40 0.00 2.81 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 82 D 8.20 4.29 0.00 1.75 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 0.00 0.00 0.00 83 W 8.43 4.72 0.00 3.56 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.52 3.93 0.00 1.93 1.76 1.31 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.27 4.13 0.00 4.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 8.08 3.91 0.00 2.19 1.90 0.94 0.89 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 87 V 7.71 3.33 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 1.26 0.00 0.00 0.39 0.00 0.00 88 K 7.95 3.93 0.00 1.95 1.93 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.38 7.81 89 I 7.64 3.79 1.84 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 1.63 1.01 0.97 0.00 0.00 90 K 7.95 3.74 0.00 1.16 1.40 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.39 7.81 91 F 7.07 4.43 0.00 3.07 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 92 R 7.03 4.29 0.00 1.94 2.03 0.00 3.23 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 93 E 8.48 4.23 0.00 2.09 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 2.54 2.31 0.00 94 E 8.30 4.63 0.00 2.08 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.16 0.00 95 P 0.00 4.39 0.00 2.19 2.11 0.00 3.89 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 2.01 2.00 0.00 96 G 9.08 3.90 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 0.00 0.00 0.00 97 C 7.73 4.65 0.00 3.26 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 98 C 8.59 5.26 0.00 3.15 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 99 I 8.63 4.89 2.15 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.20 1.27 0.00 0.00 100 A 9.11 5.31 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 0.00 101 V 8.96 5.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.13 0.00 0.00 102 H 8.79 5.21 0.00 3.32 3.44 0.00 5.47 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 C 8.80 4.88 0.00 2.82 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 0.00 0.00 0.00 104 V 8.62 4.15 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 0.78 0.00 0.00 0.89 0.00 0.00 105 A 7.62 4.35 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 8.35 3.81 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 0.00 0.00 0.00 107 L 8.57 3.95 0.00 1.57 1.60 0.83 0.76 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 0.00 108 G 7.45 3.65 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 0.00 0.00 0.00 109 R 8.32 4.35 0.00 2.12 2.19 0.00 2.49 0.00 0.00 2.45 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.24 0.00 110 A 7.94 3.91 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 0.00 111 P 0.00 4.08 0.00 1.64 2.05 0.00 3.59 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 112 V 7.72 3.85 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 1.08 0.00 0.00 1.19 0.00 0.00 113 L 7.25 3.60 0.00 1.03 0.13 0.55 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.54 3.27 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 0.94 0.00 0.00 0.85 0.00 0.00 115 A 8.19 4.08 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.85 3.69 0.00 1.89 1.83 0.24 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.49 4.27 1.67 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 0.00 118 L 7.96 4.06 0.00 1.79 1.54 1.05 0.66 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 0.00 119 I 8.07 3.89 2.13 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 1.45 0.82 1.11 0.00 0.00 120 E 8.54 4.24 0.00 2.39 2.30 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 2.50 2.53 0.00 121 G 8.02 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 0.00 122 G 7.64 3.42 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 0.00 *124 K 7.64 4.15 0.00 1.76 1.91 0.00 1.65 0.00 0.00 1.86 0.00 0.00 3.18 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.49 7.81 125 Y 8.52 4.12 0.00 3.05 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 0.00 126 E 7.02 3.29 0.00 1.72 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 2.00 1.47 0.00 127 D 7.79 4.22 0.00 2.75 2.56 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 0.00 128 A 7.75 3.92 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 0.00 129 V 7.75 3.42 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 1.08 0.00 0.00 0.43 0.00 0.00 130 Q 8.25 3.99 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 131 F 8.41 4.11 0.00 3.05 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 I 8.09 4.02 2.28 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.17 0.93 0.00 0.00 133 R 8.44 4.14 0.00 1.99 2.02 0.00 3.22 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 134 Q 8.01 3.83 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 135 K 7.18 4.57 0.00 1.69 1.79 0.00 1.44 0.00 0.00 1.36 0.00 0.00 3.13 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.51 1.41 7.81 136 R 8.13 4.41 0.00 1.76 1.69 0.00 3.14 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.00 137 R 8.87 3.96 0.00 1.96 2.09 0.00 3.08 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 138 G 8.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 A 7.66 3.65 0.99 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 0.00 0.00 140 F 8.17 4.29 0.00 3.29 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 0.00 141 N 9.19 4.91 0.00 3.00 3.00 0.00 0.00 6.20 7.31 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 0.00 142 S 8.58 4.09 0.00 3.94 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 0.00 143 K 8.19 3.94 0.00 2.03 1.89 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.57 7.81 144 Q 8.73 4.21 0.00 2.45 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.50 2.80 0.00 145 L 8.09 3.99 0.00 1.92 1.80 0.99 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 146 L 7.66 3.94 0.00 1.88 1.74 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 147 Y 8.13 4.24 0.00 3.04 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 0.00 148 L 8.03 3.44 0.00 1.61 1.52 0.53 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 149 E 7.36 2.54 0.00 1.42 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 2.09 2.12 0.00 150 K 6.94 4.31 0.00 1.62 1.74 0.00 1.72 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.51 7.81 151 Y 6.73 3.83 0.00 2.27 2.76 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 0.00 152 R 7.60 4.17 0.00 1.56 1.68 0.00 3.19 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.57 0.00 153 P 0.00 4.30 0.00 2.24 2.22 0.00 3.62 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 1.95 2.02 0.00 154 K 8.57 4.07 0.00 1.98 1.31 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.49 1.60 7.81 *156 R 9.06 4.32 0.00 1.84 2.03 0.00 3.38 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 157 L 7.93 4.00 0.00 1.74 1.21 1.10 0.84 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 0.00 158 R 7.94 4.59 0.00 1.63 1.75 0.00 3.10 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 159 F 8.45 4.39 0.00 2.92 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.