NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3282 8.4449 120.2239 56.4802 30.4836 176.8971 4 R 3.9497 9.0225 126.2540 59.1281 30.6647 174.8663 5 L 4.4314 7.6469 118.2946 54.6416 43.9319 175.8758 6 N 3.9680 8.1497 116.7065 52.1887 39.4603 174.3858 7 E 4.0692 8.8864 117.1071 59.7649 29.4231 178.3024 8 Q 4.3313 8.0109 113.8865 56.8546 29.2773 175.9277 9 N 4.9177 8.0290 114.8355 53.6150 41.0045 175.0114 10 N 4.9360 7.7659 115.6961 51.3414 42.7723 174.4964 11 E 4.0219 8.8948 128.1573 59.3319 29.4427 178.9832 12 S 4.2063 8.1045 115.0124 61.7163 62.8601 176.0291 13 Y 4.2829 8.5853 119.7144 61.0211 37.6154 178.6108 14 R 3.9823 8.2779 119.0599 59.4826 29.9486 178.2605 15 Y 4.0739 8.4259 119.4090 60.8147 38.7613 177.9989 16 L 3.8114 8.1578 119.7918 58.1679 41.8143 180.0282 17 R 3.9795 8.3673 117.9749 58.9292 29.7352 179.2121 18 S 4.1112 7.9541 112.9989 60.7283 63.0348 175.4331 19 V 3.8629 7.1720 111.7121 60.9714 31.7419 176.6882 20 G 3.8303 7.9118 108.0363 45.2806 0.0000 172.6605 21 N 4.6304 8.0725 118.6668 52.7550 39.2760 174.7644 22 Q 4.5208 8.6703 123.5646 55.1453 29.2265 175.3437 23 W 4.2564 8.3740 128.1995 58.1373 31.0099 175.0998 24 Q 4.4302 7.3989 124.8877 53.6275 31.3149 174.2905 25 F 3.6622 8.2280 127.6306 58.3379 40.1084 174.1899 26 N 4.0544 7.7220 126.9463 55.8267 39.4207 176.0202 *36 S 4.7493 7.8350 111.4420 58.3390 65.0991 176.0218 37 R 3.9532 8.2011 119.2162 59.0130 29.9474 178.0800 38 L 4.2359 7.9683 119.6705 58.5822 42.1145 178.5641 39 Y 4.2964 8.1741 116.1706 60.9042 37.8994 178.0260 40 K 3.9450 8.3641 119.6627 59.7374 32.1620 179.4351 41 R 3.7267 7.9274 118.2300 59.0613 30.0235 178.7760 42 F 3.2222 7.9867 119.8674 61.2721 39.1113 176.8327 43 D 4.5059 8.2348 117.1112 57.4249 40.6191 178.5842 44 T 3.9846 7.6137 115.8908 66.6474 68.4873 176.4682 45 F 4.9737 7.4744 118.3490 59.1848 40.1336 176.1508 46 D 4.4415 7.6851 119.0310 52.6970 39.2470 176.2747 47 L 3.9778 8.1749 124.7978 56.7054 42.1086 177.8705 48 D 4.5717 7.8655 115.1444 52.5057 39.7810 176.5149 49 S 3.9441 7.8381 114.6877 59.9768 60.7632 172.1792 50 D 4.5359 8.3593 117.4708 53.6828 39.5594 177.1483 51 G 4.1793 9.5037 109.3847 45.6591 0.0000 172.7220 52 K 5.4653 8.1483 121.1727 54.3893 34.5644 174.0363 *54 E 4.3352 8.1857 115.0444 56.2356 30.3015 178.7043 *56 D 4.6034 8.6110 126.4365 54.3058 40.8647 177.5599 57 E 3.9468 8.0060 119.2988 59.4019 29.3108 179.5809 58 V 3.6770 7.5353 111.8379 63.8606 31.6644 177.7084 59 L 4.4032 7.4114 117.3452 55.7032 41.6552 178.0003 60 Y 3.9602 7.4690 119.8628 60.4944 38.3390 178.2063 61 W 4.1254 7.2067 117.0684 59.3273 29.3605 176.5707 62 P 4.3582 0.0000 0.0000 65.8766 30.7812 177.6876 63 D 4.4374 7.6780 117.9151 56.9216 41.0800 178.8907 64 R 3.9306 7.5524 118.9870 56.4547 30.1380 178.2048 *66 R 4.2644 8.0276 114.9670 55.6234 31.3407 176.4582 67 Q 4.1044 7.6619 116.2846 58.0092 28.8465 176.9563 68 L 4.2988 7.7255 115.9099 55.6908 42.3063 175.9625 69 V 4.5424 7.2619 109.6742 60.1214 35.6841 174.8102 70 N 4.8780 8.6065 113.9597 51.9901 38.5350 174.1810 71 A 4.3581 7.6793 123.3922 51.0477 20.3416 178.4133 72 T 4.1080 8.8976 110.9122 61.5367 70.8342 175.2362 73 D 4.3334 8.7240 122.3528 57.9215 40.8165 179.0705 74 E 3.9371 8.0911 118.9429 59.3725 29.4987 178.7647 75 Q 3.9580 7.9413 117.1039 58.9053 28.8429 178.4922 76 V 3.6384 7.7663 118.5328 65.9650 31.7652 177.4295 77 E 4.1127 8.2807 119.1226 58.7721 29.4217 179.0400 78 K 4.2085 7.9657 116.6473 57.2120 31.9273 178.4241 *80 R 4.2621 7.9335 118.4273 55.8456 32.1639 177.4889 81 D 4.3032 8.3965 116.7135 57.2507 41.0902 178.1182 82 A 4.0031 8.1899 121.4177 55.0327 18.2712 179.8540 83 V 3.7806 7.8362 116.4314 66.1078 31.7065 177.8125 84 R 3.9796 8.3554 118.7482 59.6072 29.9515 178.3550 85 V 3.6253 8.0833 117.9101 66.0758 31.4585 177.4528 86 F 3.9539 8.5031 120.5086 61.6660 39.0828 177.1794 87 F 3.6882 8.5024 116.7751 59.5751 38.7295 177.6703 88 L 4.2807 8.0972 122.0417 58.1017 41.6909 178.7940 89 H 4.2408 8.0415 114.7524 58.3469 28.7078 177.2255 90 K 3.7124 7.1634 117.7475 56.6580 31.6983 177.6573 91 G 3.9567 7.7672 107.7840 45.0645 0.0000 174.6623 92 V 3.9107 8.1953 120.7907 61.9680 30.6341 174.9096 93 E 4.2751 8.4979 127.1419 55.0936 30.2281 176.6339 94 P 4.2536 0.0000 0.0000 65.3554 31.7063 177.4786 95 V 4.1011 7.7965 115.1693 64.3755 32.4519 176.2305 96 N 4.5640 8.1890 114.4000 52.9899 39.7573 177.0526 97 G 3.8232 8.1537 107.3320 45.1768 0.0000 172.1906 98 L 4.9772 8.2323 121.9068 52.9927 44.6457 176.8959 99 L 4.5355 8.5434 126.2573 54.4214 42.7299 178.0743 100 R 2.5100 8.5283 121.9376 59.4286 29.5361 179.0022 101 E 4.1389 8.1441 116.8984 58.5194 29.7751 177.6837 102 D 4.7957 8.1350 117.2494 53.7666 41.5107 177.9861 103 W 4.4995 7.9185 130.3339 60.6345 30.6895 177.9133 104 V 3.1866 7.5994 117.4326 65.9465 31.0687 177.4694 105 E 2.7943 7.7018 118.2817 58.5673 29.4071 178.2257 106 A 3.8638 8.0083 121.1478 55.2690 18.4174 179.3191 107 N 3.9720 7.5606 114.7117 56.3943 38.5962 177.9451 108 R 3.8887 7.7378 119.6168 59.1815 30.1538 179.5421 109 V 2.3399 7.6821 119.0545 64.1317 31.1892 178.0851 110 F 3.8124 8.0533 122.3317 60.3209 39.1688 176.9085 111 A 3.7025 7.8251 120.2377 55.0514 18.0371 179.2712 112 E 3.4821 7.4329 117.3652 59.0913 29.5534 178.9077 113 A 3.9240 7.6153 121.1302 54.9794 18.3543 179.4643 114 E 3.5398 7.7041 117.4422 59.4545 29.4768 179.6934 115 R 3.8188 7.6189 118.0345 59.2211 30.1194 178.7516 116 E 3.9351 8.2836 119.1160 59.2506 29.6758 178.9860 117 R 3.9516 8.0133 118.1208 59.2056 30.1122 178.6103 118 E 3.8420 8.0120 118.8743 59.4593 29.4605 178.8751 119 R 3.9385 7.7761 116.5868 59.4246 30.2799 178.5580 120 R 4.2763 7.9436 114.6182 56.0353 30.2403 177.1091 121 G 3.8646 7.7109 106.8812 46.3227 0.0000 173.6005 122 E 4.5254 8.2899 118.4869 53.6661 31.0080 174.6933 123 P 4.2888 0.0000 0.0000 62.4542 32.1448 177.0011 124 S 4.1990 8.3997 116.7782 58.1139 63.9947 175.3386 125 L 4.0094 8.9105 129.1727 57.7499 41.3408 179.8723 126 I 3.5648 8.1081 119.3452 64.2346 36.9961 178.2303 127 A 3.8859 7.8162 121.1129 55.0771 18.2068 179.6454 128 L 3.8309 8.0667 117.6318 57.7008 41.7004 179.3456 129 L 3.8214 7.8310 120.1905 58.2032 41.4525 178.8389 130 S 2.7900 7.6476 112.9647 61.1532 62.1188 175.8817 131 N 4.3386 8.1417 119.3654 56.2901 38.3499 177.5608 132 S 4.1314 8.0133 115.6926 61.6830 63.0885 176.2656 133 Y 4.0161 8.0943 120.4244 60.6601 37.6292 177.4252 134 Y 4.0854 8.5377 121.0461 61.1906 38.6408 178.2682 135 D 4.4785 7.8786 117.8709 57.3766 40.9478 178.7010 136 V 3.7426 7.2569 117.0304 65.8157 31.6143 177.8574 137 L 4.2260 8.2446 118.4566 56.9333 42.8585 178.4086 138 D 4.8267 7.7970 119.4639 53.9372 37.7279 175.8138 139 D 4.4499 8.4093 120.4998 55.2127 42.0083 176.3249 140 D 4.6157 8.2236 116.4847 52.7914 39.8679 176.8532 141 G 3.9165 7.9301 107.5549 46.5770 0.0000 174.3152 142 D 4.5201 8.0288 117.4877 53.2684 39.7402 177.0248 143 G 4.1486 9.0267 108.7681 45.6779 0.0000 173.2366 144 T 5.4186 7.7307 111.8032 59.5248 71.5830 172.9626 145 V 4.5275 8.4164 124.5352 61.2301 33.4061 175.1932 146 D 5.1511 9.0425 128.7899 52.1016 41.7271 177.9183 147 V 3.2538 7.7920 117.7050 64.8465 31.0336 178.0126 148 D 4.2877 7.9389 119.0949 56.9971 40.5301 178.3149 149 E 3.9718 8.9450 118.9100 59.2617 29.4991 178.7952 150 L 4.1781 7.9650 119.8279 57.9985 42.2020 178.7995 151 K 4.1464 7.7843 117.8771 58.9391 33.4490 178.8529 152 T 4.1183 7.4237 117.2720 63.5842 64.7366 174.2437 *155 K 4.1629 7.8971 125.1478 56.1560 34.3774 177.6050 156 A 3.9827 8.3079 120.4463 55.0786 18.2306 178.0942 157 F 4.3847 8.0665 111.3258 57.0557 39.1635 175.1152 158 D 4.6221 8.2614 118.9788 55.3941 39.9138 173.5287 159 V 4.5073 7.6560 108.6427 57.9005 34.3433 174.0827 160 P 4.3245 0.0000 0.0000 63.3147 31.9113 177.8177 161 Q 4.0502 8.7307 121.1770 58.9259 28.6568 178.7710 162 E 4.0323 8.2262 118.9713 58.9957 29.4988 178.7960 163 A 3.8387 7.9043 120.5921 54.5670 18.2535 179.1892 164 A 4.0275 7.8473 119.7207 55.5211 18.2744 179.3488 165 Y 4.1979 7.5320 115.0479 61.6511 38.1346 178.6939 166 T 3.8267 7.8942 115.9136 67.0770 68.5322 176.4955 167 F 4.6948 7.6358 119.2406 60.3818 38.8349 177.7173 168 F 4.0248 9.0125 120.9587 61.0456 38.9833 176.6681 169 E 4.0442 8.3154 117.9026 59.4240 29.5605 178.6628 170 K 4.1361 7.7954 116.1842 59.6108 32.2603 179.0257 171 A 4.2085 7.9989 119.6611 54.0183 19.9230 178.3699 172 D 4.4018 8.0364 119.1311 53.6729 38.1497 176.6698 173 T 3.9703 7.8177 112.8777 63.5166 69.6118 176.0565 174 D 4.6667 8.2142 120.5533 52.0318 39.5964 176.4807 175 K 4.4720 7.6155 117.4646 57.7539 30.2339 176.1345 176 S 4.2352 7.9081 113.2883 59.3576 63.5231 175.3246 177 G 4.2035 9.8596 109.3868 45.2723 0.0000 173.1422 178 K 5.0687 7.6966 116.3317 54.6770 36.6255 175.8516 179 L 4.5737 9.4587 125.0610 54.2956 42.9635 176.7066 180 E 4.6847 9.3043 123.9280 55.5809 31.2076 178.0517 181 R 3.1681 8.4615 120.2642 59.7354 29.8981 179.4869 182 T 3.8600 7.7319 108.7359 64.7853 68.7081 176.2342 183 E 3.9398 8.0619 121.0108 59.0970 29.5700 178.8457 184 L 4.1060 8.0294 120.4730 57.9728 42.2017 178.8979 185 V 3.6287 7.8346 119.6836 65.5934 31.3449 177.2744 186 H 4.0524 8.5246 118.0098 59.3447 29.7182 176.7987 187 L 3.9211 8.1512 121.8613 58.1432 41.9390 178.7738 188 F 3.8268 8.8886 118.0632 60.7631 38.6977 177.9091 189 R 4.1531 8.4374 116.3889 59.3048 29.9509 179.0061 190 K 4.0681 8.0020 117.2549 59.3106 32.1009 178.7869 191 F 3.7391 7.7677 119.7100 60.6839 39.3291 175.4373 192 W 4.6588 8.1662 121.5674 56.9114 29.2424 176.0508 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 3 E 8.44 4.33 0.00 2.05 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 2.24 2.35 0.00 4 R 9.02 3.95 0.00 1.95 2.00 0.00 3.26 0.00 0.00 3.30 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 5 L 7.65 4.43 0.00 2.18 1.90 1.04 1.04 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 6 N 8.15 3.97 0.00 2.73 2.67 0.00 0.00 6.09 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 7 E 8.89 4.07 0.00 1.97 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 2.35 2.46 0.00 8 Q 8.01 4.33 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.78 0.00 0.00 0.00 0.00 0.00 2.57 2.33 0.00 9 N 8.03 4.92 0.00 3.15 2.96 0.00 0.00 6.66 8.03 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 10 N 7.77 4.94 0.00 2.88 3.08 0.00 0.00 6.88 7.65 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 11 E 8.89 4.02 0.00 2.05 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 0.00 1.95 2.19 0.00 12 S 8.10 4.21 0.00 3.93 3.84 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 13 Y 8.59 4.28 0.00 3.37 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 14 R 8.28 3.98 0.00 2.11 2.05 0.00 3.36 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.96 0.00 15 Y 8.43 4.07 0.00 3.10 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 16 L 8.16 3.81 0.00 1.83 1.96 0.82 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.37 3.98 0.00 1.85 2.00 0.00 3.34 0.00 0.00 3.47 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.87 0.00 18 S 7.95 4.11 0.00 3.95 4.07 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 0.00 0.00 0.00 19 V 7.17 3.86 1.93 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 0.33 0.00 0.00 0.67 0.00 0.00 20 G 7.91 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.07 4.63 0.00 2.67 2.85 0.00 0.00 7.02 7.24 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 22 Q 8.67 4.52 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.55 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 23 W 8.37 4.26 0.00 3.44 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 24 Q 7.40 4.43 0.00 1.89 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 25 F 8.23 3.66 0.00 3.18 3.24 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 26 N 7.72 4.05 0.00 2.39 2.40 0.00 0.00 7.11 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 *36 S 7.84 4.75 0.00 4.15 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 0.00 37 R 8.20 3.95 0.00 1.82 2.02 0.00 3.21 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 38 L 7.97 4.24 0.00 1.77 1.67 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 8.17 4.30 0.00 3.21 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 40 K 8.36 3.95 0.00 2.13 1.88 0.00 1.87 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.58 7.81 41 R 7.93 3.73 0.00 2.30 2.35 0.00 3.14 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 42 F 7.99 3.22 0.00 1.64 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 43 D 8.23 4.51 0.00 2.75 2.77 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 44 T 7.61 3.98 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 45 F 7.47 4.97 0.00 2.89 2.86 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 0.00 0.00 0.00 46 D 7.69 4.44 0.00 2.27 2.43 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 47 L 8.17 3.98 0.00 1.53 1.52 0.47 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 48 D 7.87 4.57 0.00 2.74 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 7.84 3.94 0.00 4.09 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 50 D 8.36 4.54 0.00 2.85 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 51 G 9.50 4.18 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 0.00 52 K 8.15 5.47 0.00 1.78 1.77 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.41 1.45 7.81 *54 E 8.19 4.34 0.00 2.15 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 2.31 2.32 0.00 *56 D 8.61 4.60 0.00 2.82 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 57 E 8.01 3.95 0.00 2.15 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 2.23 2.28 0.00 58 V 7.54 3.68 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 0.00 0.00 0.15 0.00 0.00 0.73 0.00 0.00 59 L 7.41 4.40 0.00 1.65 1.70 0.93 0.72 0.00 0.00 0.00 0.00 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0.00 3.22 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 0.00 104 V 7.60 3.19 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 1.01 0.00 0.00 0.65 0.00 0.00 105 E 7.70 2.79 0.00 1.16 1.58 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 2.28 1.83 0.00 106 A 8.01 3.86 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 0.00 107 N 7.56 3.97 0.00 2.44 2.61 0.00 0.00 7.08 7.09 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 0.00 108 R 7.74 3.89 0.00 2.21 2.42 0.00 3.49 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.24 0.00 109 V 7.68 2.34 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 0.64 0.00 0.00 -0.08 0.00 0.00 110 F 8.05 3.81 0.00 2.99 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 0.00 111 A 7.83 3.70 1.26 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 128 L 8.07 3.83 0.00 1.79 1.69 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 129 L 7.83 3.82 0.00 1.51 1.47 1.07 -0.18 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 0.00 130 S 7.65 2.79 0.00 3.05 3.63 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 0.00 0.00 0.00 0.00 131 N 8.14 4.34 0.00 2.69 2.79 0.00 0.00 6.85 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 0.00 132 S 8.01 4.13 0.00 3.93 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 0.00 133 Y 8.09 4.02 0.00 3.25 3.24 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 0.00 134 Y 8.54 4.09 0.00 3.19 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 0.00 135 D 7.88 4.48 0.00 2.68 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 0.00 136 V 7.26 3.74 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 0.76 0.00 0.00 0.83 0.00 0.00 137 L 8.24 4.23 0.00 1.70 1.70 1.13 1.22 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 0.00 138 D 7.80 4.83 0.00 2.51 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 0.00 139 D 8.41 4.45 0.00 2.66 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 0.00 140 D 8.22 4.62 0.00 2.79 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.93 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 0.00 0.00 0.00 142 D 8.03 4.52 0.00 2.80 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 0.00 143 G 9.03 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 0.00 144 T 7.73 5.42 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 1.33 0.00 0.00 145 V 8.42 4.53 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 0.83 0.00 0.00 0.27 0.00 0.00 146 D 9.04 5.15 0.00 2.78 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 0.00 147 V 7.79 3.25 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 0.00 0.00 0.64 0.00 0.00 0.56 0.00 0.00 148 D 7.94 4.29 0.00 2.78 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 0.00 149 E 8.94 3.97 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 150 L 7.97 4.18 0.00 1.91 1.93 1.03 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 151 K 7.78 4.15 0.00 1.90 1.97 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.53 0.00 0.00 2.19 0.00 0.00 0.00 0.00 1.37 1.53 7.81 152 T 7.42 4.12 4.45 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 1.22 0.00 0.00 *155 K 7.90 4.16 0.00 1.92 2.02 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.48 7.81 156 A 8.31 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 157 F 8.07 4.38 0.00 2.97 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.26 4.62 0.00 3.33 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 0.00 159 V 7.66 4.51 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.00 0.00 0.00 160 P 0.00 4.32 0.00 2.18 2.01 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 161 Q 8.73 4.05 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.90 0.00 0.00 0.00 0.00 0.00 2.66 2.46 0.00 162 E 8.23 4.03 0.00 2.09 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 2.46 2.56 0.00 163 A 7.90 3.84 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 0.00 164 A 7.85 4.03 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 0.00 165 Y 7.53 4.20 0.00 3.15 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 0.00 166 T 7.89 3.83 3.50 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 1.01 0.00 0.00 167 F 7.64 4.69 0.00 3.13 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 0.00 168 F 9.01 4.02 0.00 3.31 3.13 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 0.00 169 E 8.32 4.04 0.00 2.13 2.31 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 2.38 2.42 0.00 170 K 7.80 4.14 0.00 1.94 1.95 0.00 1.94 0.00 0.00 1.99 0.00 0.00 3.12 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.71 7.81 171 A 8.00 4.21 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 0.00 172 D 8.04 4.40 0.00 2.15 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 0.00 173 T 7.82 3.97 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 1.21 0.00 0.00 174 D 8.21 4.67 0.00 2.83 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 0.00 175 K 7.62 4.47 0.00 1.89 1.92 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.18 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.42 1.44 7.81 176 S 7.91 4.24 0.00 3.85 4.07 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 0.00 0.00 0.00 177 G 9.86 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 0.00 0.00 0.00 178 K 7.70 5.07 0.00 1.95 1.79 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.51 7.81 179 L 9.46 4.57 0.00 1.66 1.65 0.91 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 180 E 9.30 4.68 0.00 1.99 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 2.33 2.38 0.00 181 R 8.46 3.17 0.00 1.53 1.59 0.00 2.87 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.96 0.00 182 T 7.73 3.86 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 1.15 0.00 0.00 183 E 8.06 3.94 0.00 2.21 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 0.00 2.43 2.33 0.00 184 L 8.03 4.11 0.00 2.04 1.96 1.15 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 185 V 7.83 3.63 2.24 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 1.04 0.00 0.00 0.87 0.00 0.00 186 H 8.52 4.05 0.00 3.42 3.52 0.00 5.84 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 L 8.15 3.92 0.00 1.83 1.97 0.56 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 188 F 8.89 3.83 0.00 3.32 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 0.00 189 R 8.44 4.15 0.00 1.89 2.04 0.00 3.19 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.96 0.00 190 K 8.00 4.07 0.00 1.66 1.81 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.69 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.52 7.81 191 F 7.77 3.74 0.00 2.66 2.74 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 0.00 192 W 8.17 4.66 0.00 3.52 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 * Residues marked with a * may have inaccurate shift predictions.