NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2592 8.1733 121.7834 55.9118 34.4913 177.7600 3 P 4.4625 0.0000 0.0000 64.0213 31.0865 176.8828 4 L 3.9659 8.5792 120.2166 57.8899 42.5273 178.5273 5 K 3.9561 7.9865 118.0484 59.5270 31.8289 178.9521 6 E 3.9276 8.0326 118.4463 58.9641 29.3550 179.4462 7 V 3.3518 7.3921 117.9178 66.0418 31.5826 178.3717 8 V 3.7309 7.8283 118.1608 65.7693 31.3661 178.1046 9 G 3.6312 8.2935 105.4260 47.7767 0.0000 175.5563 10 A 4.0829 8.1427 123.3252 55.1113 18.3917 179.2498 11 Y 4.0453 8.2348 115.3141 61.4459 37.9791 179.1118 12 L 4.1170 8.4990 119.7652 57.5233 41.6903 179.4117 13 A 4.0399 8.1271 120.9802 55.0701 18.2910 179.4894 14 L 3.9368 8.1748 118.9029 58.3124 42.2267 179.2807 15 S 4.3227 8.3572 115.2309 61.7382 62.8130 176.3493 16 D 4.3576 8.3312 121.2780 57.3881 40.5403 178.6785 17 A 4.2846 7.9420 122.4309 54.8542 18.2450 179.7166 18 Q 3.9688 8.3334 116.5343 59.2344 28.7894 179.3298 19 R 3.9814 8.0644 119.0341 59.1941 29.5580 179.0904 20 Q 4.0063 8.2673 118.0480 58.6623 28.6525 178.6643 21 L 4.0759 8.1838 120.3035 57.9417 41.5139 179.6998 22 V 3.6080 7.3468 116.6029 65.8235 31.5551 177.2746 23 A 4.2205 7.7034 118.1479 52.4145 18.5014 178.2408 24 G 3.1596 7.4224 105.2148 45.9533 0.0000 175.6055 25 E 4.2210 7.6471 121.8497 55.1671 26.3123 176.5096 26 Y 4.3853 7.3567 120.2719 60.8569 38.5696 177.4434 27 D 4.4583 8.3212 121.9904 58.1875 40.9888 179.2623 28 E 4.0255 8.1702 117.9767 60.9335 29.8351 180.5133 29 A 4.3115 8.1988 121.6531 54.9837 18.4964 179.5940 30 A 3.9412 8.3232 119.1502 55.2768 18.4488 179.6705 31 A 3.9495 7.8381 118.7818 55.5706 18.3959 179.7041 32 N 4.3393 8.4341 115.0028 56.4255 38.3125 177.5814 33 C 4.1163 8.0264 117.5971 62.9077 28.3265 176.0094 34 R 4.0638 7.7019 118.3251 59.2275 29.9356 178.7882 35 R 4.0950 8.3013 118.4459 59.1545 30.0230 178.7035 36 A 4.0175 8.3054 119.4129 53.8424 17.6264 179.3550 *38 E 4.3332 8.0883 118.1239 57.4150 32.3764 181.9164 39 I 3.6665 7.9078 120.8374 64.1026 37.3298 178.6968 40 S 3.7095 7.9183 113.8983 61.3672 62.7082 174.7827 41 H 4.5688 7.5784 115.4781 56.3647 28.8826 176.3400 42 T 4.1891 7.3079 112.9312 59.2456 67.2663 172.2079 *44 P 4.2172 0.0000 0.0000 62.3119 32.9166 176.8838 45 P 4.2468 0.0000 0.0000 65.8707 31.3788 177.1244 46 E 4.2126 8.1068 115.6377 56.5872 29.4990 175.5000 47 E 4.3352 7.6819 121.3296 54.1301 30.4834 175.5595 48 A 4.1006 8.5951 129.7346 52.5658 18.8647 176.2467 49 F 4.5024 8.2039 121.7031 56.4901 42.2641 174.4639 50 D 4.4997 7.1733 127.3551 53.1409 39.0548 176.3517 51 H 4.3228 8.3006 121.4344 58.1793 29.2940 176.5792 52 A 3.9785 8.0290 122.1754 55.1527 18.3288 179.8134 53 G 2.6423 7.6971 103.5414 47.4449 0.0000 175.6470 54 F 3.5470 7.8557 123.5204 60.9503 39.3110 176.9200 55 D 4.2309 8.3844 118.5837 57.2231 40.5696 178.6989 56 A 3.8597 7.4606 121.0373 55.0629 18.2553 179.7314 57 F 4.2500 8.1895 116.3418 60.8731 38.9055 177.7342 58 C 3.9813 7.7835 116.3021 63.1916 27.8592 175.9511 59 H 4.3658 8.6983 119.1797 58.0340 28.1972 177.8335 60 A 4.1721 8.3639 122.8552 55.2063 18.3370 179.8565 61 G 3.6088 8.0934 104.3039 47.9101 0.0000 175.5823 62 L 3.9831 8.4298 123.0551 57.8019 42.0711 178.9161 63 A 3.9857 8.2759 120.8922 55.1016 18.3345 179.2305 64 E 3.8397 8.3183 117.6457 59.2448 29.7192 178.9076 65 A 3.8719 8.0301 120.7526 55.2764 18.4620 179.6673 66 L 3.8491 8.1837 117.5695 57.7377 41.6316 179.6721 67 A 3.9780 8.1830 121.0889 55.0147 18.0884 179.8731 68 G 2.8047 7.3516 103.2394 47.4330 0.0000 175.1463 69 L 4.2061 7.3071 118.2664 54.2366 41.9055 177.1833 70 R 2.5100 7.1344 116.8207 57.2437 28.3710 177.9796 71 S 4.3400 7.2529 113.3768 57.1254 59.3062 173.5362 72 F 4.3899 7.4233 124.6927 59.9679 39.1012 176.4802 73 D 4.3304 8.1319 117.3388 57.6077 41.1986 178.0919 74 E 4.0535 8.2167 118.3247 59.1590 29.3855 179.0490 75 A 3.9775 7.9914 120.8744 55.0602 18.4852 179.3070 76 L 3.8728 8.1148 118.9114 58.7703 42.2682 178.9792 77 H 4.2017 7.9668 115.9836 58.8838 28.5014 177.8240 78 S 4.1090 8.2519 114.8063 61.2540 62.1701 175.9991 79 A 4.1660 8.3492 123.8268 55.3694 18.1422 179.3168 80 D 4.3450 8.2970 117.3809 57.5467 40.5571 179.2472 81 K 3.9620 8.0388 118.3855 59.1781 31.9483 179.3732 82 A 4.0863 7.9575 120.8463 55.1995 18.3334 179.7632 83 L 4.2441 8.4466 117.7067 57.9329 40.0675 179.0870 84 H 4.0781 8.4217 118.6612 59.1933 29.6766 176.7415 85 Y 3.9155 7.4723 121.5207 60.7052 38.7433 177.5256 86 F 3.7451 7.7425 118.6073 60.3988 38.5587 177.4799 87 N 4.4284 8.0680 115.4692 55.7375 38.3113 177.3661 88 R 4.1324 6.9167 118.0771 58.1341 30.5920 177.9892 89 R 4.3588 7.2983 114.6059 55.5382 30.7556 176.3944 90 G 3.3926 7.2791 107.2612 44.9391 0.0000 174.0503 91 E 4.7121 8.4460 121.0193 53.9693 31.4632 176.7698 92 L 4.0809 8.9824 127.2145 58.0597 42.3651 177.7955 93 N 4.8891 8.1841 113.4365 53.1755 38.5898 174.2408 94 Q 4.7577 7.5890 118.1734 53.6639 31.8695 176.2640 95 D 4.3794 8.7918 118.5807 57.8582 41.3772 178.8318 96 E 3.8988 8.6903 118.9697 59.6958 29.3701 179.1009 97 G 4.0135 8.3925 106.9917 47.1572 0.0000 175.7386 98 K 3.9590 8.0974 120.5896 59.3567 32.0457 179.3682 99 L 3.9990 7.6868 118.8074 56.9061 41.4747 179.2975 100 W 3.2138 7.3633 128.0186 60.2811 30.6448 177.8005 101 I 3.5366 7.6644 119.7119 64.3525 36.4824 178.2313 102 S 4.1243 8.0026 113.5580 61.5340 62.2393 176.1577 103 A 4.1404 8.1889 123.3222 55.1908 18.1351 179.8184 104 V 3.5926 7.9465 116.8280 66.1671 31.5612 177.6880 105 Y 4.0712 8.2762 119.4024 60.8951 38.6140 178.0953 106 S 4.0056 8.5900 116.5280 61.5828 62.8313 176.7174 107 R 3.7863 8.1184 121.0954 59.2406 29.8314 178.4504 108 A 3.4551 7.6713 120.4807 54.9501 18.1085 179.5992 109 L 3.8524 7.5860 117.3189 57.6827 41.6224 179.7380 110 A 3.9948 8.1097 120.8596 55.1896 18.3203 179.6110 111 L 3.8346 7.9055 117.7579 57.9098 41.6722 179.3769 112 D 4.3072 8.0423 117.9878 57.3403 41.0156 178.5916 113 G 2.4233 7.4147 105.0373 46.7987 0.0000 174.6300 114 L 4.4289 7.4148 118.6209 54.2708 41.8483 177.5011 115 G 3.8230 7.7138 107.0939 46.0874 0.0000 175.4517 116 R 4.4416 7.8501 120.2902 54.5556 28.8700 177.6537 117 G 3.5977 7.8301 108.1114 48.4111 0.0000 173.3892 118 A 4.1132 8.0367 121.9128 54.7196 18.4943 178.1188 119 E 4.2357 8.0789 114.2952 58.3144 30.4121 178.2309 120 A 4.3744 7.6672 121.9617 51.6088 17.9660 177.4391 *122 P 4.3844 0.0000 0.0000 64.3920 33.5978 178.6003 123 E 3.9269 7.6880 118.6572 59.2522 29.1133 179.1691 124 F 4.3701 8.2305 117.9394 60.4941 38.9118 177.8541 125 K 4.0295 8.1563 117.7465 59.3913 31.7043 179.1123 126 K 3.9013 7.8539 118.9110 59.2560 32.1119 178.7153 127 V 3.6848 7.5985 117.9652 65.9740 31.7819 177.9079 128 V 3.7802 7.5698 118.0383 65.8830 31.2927 178.6424 129 E 3.7584 8.0811 115.4627 57.0779 27.6576 178.8884 *131 I 3.9979 7.7309 122.0544 61.5559 39.2773 177.9864 132 E 3.9285 8.1199 118.5571 59.5735 29.4569 178.2870 133 E 3.9661 8.1203 116.9610 59.1405 29.6128 178.0221 134 R 4.0550 7.1444 119.0824 56.1484 30.2433 175.7695 135 K 4.1751 8.7333 126.2102 56.0268 32.7763 176.2442 136 G 4.1488 9.1142 113.2455 43.9698 0.0000 174.0125 137 E 4.0373 8.6793 117.3585 56.5050 30.2371 178.4218 138 T 4.5321 8.0467 119.4358 59.2454 69.2201 170.5274 139 P 4.2214 0.0000 0.0000 64.1790 32.3455 177.0413 140 G 3.9203 8.9479 109.8451 45.3438 0.0000 175.2453 141 K 3.9764 7.6315 119.6823 59.6714 32.7945 178.5122 142 E 3.9898 8.1352 118.2177 59.2613 30.3424 177.6455 143 R 4.0846 7.2659 118.5502 56.5865 28.3429 176.0107 *146 E 4.2104 7.9404 122.4977 56.1756 32.2193 177.6804 147 V 3.5219 7.8600 117.3553 65.8395 31.5349 177.6665 148 A 3.4013 8.0390 119.9530 55.3367 18.1235 179.5909 149 I 3.6281 7.5822 117.6117 64.4167 37.2290 178.2855 150 D 4.2878 8.0649 119.7472 57.4923 40.6775 179.1533 151 R 3.8046 7.8156 118.5827 59.1994 29.9256 179.0899 152 I 3.8137 7.6965 119.3733 64.0567 36.7387 178.4534 153 A 3.9316 7.3358 121.0439 55.1824 18.6033 179.3509 154 Q 4.0609 8.3510 116.8924 59.2450 28.6063 179.2070 155 L 4.1322 8.3550 119.0743 57.5167 41.7258 179.3671 156 G 3.7741 7.7144 103.6425 46.5373 0.0000 173.4054 157 A 4.1806 7.6769 128.6315 52.5911 19.4435 175.7638 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 2 K 8.17 4.26 0.00 1.87 1.84 0.00 1.81 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.04 7.81 3 P 0.00 4.46 0.00 2.23 2.03 0.00 3.89 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 4 L 8.58 3.97 0.00 1.72 1.62 0.88 0.47 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 5 K 7.99 3.96 0.00 1.96 1.82 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.51 7.81 6 E 8.03 3.93 0.00 2.08 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 2.26 2.32 0.00 7 V 7.39 3.35 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 0.96 0.00 0.00 0.89 0.00 0.00 8 V 7.83 3.73 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 1.04 0.00 0.00 0.92 0.00 0.00 9 G 8.29 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 0.00 0.00 0.00 10 A 8.14 4.08 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 11 Y 8.23 4.05 0.00 3.23 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 12 L 8.50 4.12 0.00 1.75 1.77 0.96 0.89 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 13 A 8.13 4.04 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 14 L 8.17 3.94 0.00 1.83 1.87 0.80 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.36 4.32 0.00 4.12 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 16 D 8.33 4.36 0.00 2.89 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 17 A 7.94 4.28 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.33 3.97 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 19 R 8.06 3.98 0.00 1.90 1.98 0.00 3.14 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 20 Q 8.27 4.01 0.00 2.29 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 21 L 8.18 4.08 0.00 1.91 1.85 1.03 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.35 3.61 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 0.81 0.00 0.00 1.02 0.00 0.00 23 A 7.70 4.22 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 24 G 7.42 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 0.00 0.00 0.00 25 E 7.65 4.22 0.00 1.95 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 2.22 2.24 0.00 26 Y 7.36 4.39 0.00 3.00 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 27 D 8.32 4.46 0.00 2.71 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 28 E 8.17 4.03 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.94 0.00 29 A 8.20 4.31 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 30 A 8.32 3.94 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.84 3.95 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 32 N 8.43 4.34 0.00 2.77 3.11 0.00 0.00 7.07 7.21 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 33 C 8.03 4.12 0.00 3.12 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 34 R 7.70 4.06 0.00 1.96 2.00 0.00 3.18 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 35 R 8.30 4.10 0.00 2.02 2.11 0.00 3.12 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 36 A 8.31 4.02 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 *38 E 8.09 4.33 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.91 0.00 39 I 7.91 3.67 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.55 0.89 0.00 0.00 40 S 7.92 3.71 0.00 3.62 3.85 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 0.00 0.00 0.00 41 H 7.58 4.57 0.00 3.06 3.35 0.00 5.84 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 7.31 4.19 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 1.24 0.00 0.00 *44 P 0.00 4.22 0.00 2.25 2.24 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 45 P 0.00 4.25 0.00 2.20 2.22 0.00 3.75 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 1.98 1.98 0.00 46 E 8.11 4.21 0.00 1.98 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 2.32 2.29 0.00 47 E 7.68 4.34 0.00 1.83 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 2.20 2.28 0.00 48 A 8.60 4.10 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 49 F 8.20 4.50 0.00 2.76 2.66 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 50 D 7.17 4.50 0.00 2.61 2.14 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 51 H 8.30 4.32 0.00 3.36 3.44 0.00 5.88 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.03 3.98 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 53 G 7.70 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 7.86 3.55 0.00 2.71 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.38 4.23 0.00 2.71 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 56 A 7.46 3.86 0.72 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 0.00 0.00 57 F 8.19 4.25 0.00 2.81 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 58 C 7.78 3.98 0.00 2.86 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 59 H 8.70 4.37 0.00 3.40 3.57 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.36 4.17 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 61 G 8.09 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.43 3.98 0.00 1.82 1.91 0.93 1.08 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 63 A 8.28 3.99 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.32 3.84 0.00 2.13 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 0.00 2.35 2.40 0.00 65 A 8.03 3.87 1.54 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 0.00 0.00 66 L 8.18 3.85 0.00 1.64 1.83 0.98 0.91 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 67 A 8.18 3.98 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 68 G 7.35 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 0.00 0.00 0.00 69 L 7.31 4.21 0.00 1.65 1.65 nan 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.13 2.51 0.00 1.75 1.66 0.00 3.19 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.43 0.00 71 S 7.25 4.34 0.00 3.74 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 F 7.42 4.39 0.00 3.13 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 73 D 8.13 4.33 0.00 2.84 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 74 E 8.22 4.05 0.00 2.05 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 2.42 2.39 0.00 75 A 7.99 3.98 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 76 L 8.11 3.87 0.00 1.85 1.81 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 77 H 7.97 4.20 0.00 3.33 3.31 0.00 5.67 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.25 4.11 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.35 4.17 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 80 D 8.30 4.35 0.00 2.87 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 81 K 8.04 3.96 0.00 1.77 1.56 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.33 7.81 82 A 7.96 4.09 1.60 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 0.00 0.00 83 L 8.45 4.24 0.00 1.80 1.88 1.02 1.55 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 84 H 8.42 4.08 0.00 3.37 3.48 0.00 5.77 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Y 7.47 3.92 0.00 3.02 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 86 F 7.74 3.75 0.00 2.51 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 87 N 8.07 4.43 0.00 2.70 2.91 0.00 0.00 7.05 8.04 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 88 R 6.92 4.13 0.00 1.68 1.81 0.00 3.18 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 89 R 7.30 4.36 0.00 0.90 1.59 0.00 3.10 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.30 0.00 90 G 7.28 3.39 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 0.00 91 E 8.45 4.71 0.00 2.29 1.96 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 2.27 2.25 0.00 92 L 8.98 4.08 0.00 1.66 1.67 0.61 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 93 N 8.18 4.89 0.00 2.78 2.83 0.00 0.00 6.75 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 94 Q 7.59 4.76 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.74 0.00 95 D 8.79 4.38 0.00 2.84 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 96 E 8.69 3.90 0.00 2.26 2.14 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 2.75 2.98 0.00 97 G 8.39 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 98 K 8.10 3.96 0.00 1.86 1.81 0.00 1.63 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.44 7.81 99 L 7.69 4.00 0.00 1.64 1.67 -0.01 0.49 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 0.00 100 W 7.36 3.21 0.00 2.52 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 0.00 101 I 7.66 3.54 1.76 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.29 0.81 0.00 0.00 102 S 8.00 4.12 0.00 3.99 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 0.00 103 A 8.19 4.14 1.60 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 0.00 0.00 104 V 7.95 3.59 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 1.03 0.00 0.00 1.01 0.00 0.00 105 Y 8.28 4.07 0.00 3.13 3.15 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 0.00 106 S 8.59 4.01 0.00 4.05 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 0.00 107 R 8.12 3.79 0.00 1.97 2.03 0.00 3.18 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 108 A 7.67 3.46 0.12 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 0.00 0.00 109 L 7.59 3.85 0.00 1.73 1.69 0.61 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.11 3.99 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 0.00 111 L 7.91 3.83 0.00 1.67 1.80 0.82 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 112 D 8.04 4.31 0.00 3.00 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 0.00 113 G 7.41 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 0.00 0.00 0.00 114 L 7.41 4.43 0.00 1.71 1.68 0.94 0.96 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 0.00 115 G 7.71 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 0.00 116 R 7.85 4.44 0.00 1.96 1.85 0.00 3.11 0.00 0.00 3.13 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 117 G 7.83 3.60 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 0.00 0.00 0.00 118 A 8.04 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 0.00 119 E 8.08 4.24 0.00 2.00 1.96 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 2.34 2.28 0.00 120 A 7.67 4.37 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *122 P 0.00 4.38 0.00 2.25 2.37 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.99 0.00 123 E 7.69 3.93 0.00 1.80 1.81 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 2.25 2.38 0.00 124 F 8.23 4.37 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.16 4.03 0.00 2.11 1.87 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.53 1.07 7.81 126 K 7.85 3.90 0.00 1.86 1.97 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.37 7.81 127 V 7.60 3.68 2.40 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 0.89 0.00 0.00 1.14 0.00 0.00 128 V 7.57 3.78 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.99 0.00 0.00 129 E 8.08 3.76 0.00 2.13 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 *131 I 7.73 4.00 1.95 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 1.32 0.90 0.85 0.00 0.00 132 E 8.12 3.93 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 2.32 2.43 0.00 133 E 8.12 3.97 0.00 1.84 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 0.00 2.29 2.31 0.00 134 R 7.14 4.06 0.00 1.76 1.78 0.00 3.34 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 135 K 8.73 4.18 0.00 1.79 1.73 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.36 7.81 136 G 9.11 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 0.00 137 E 8.68 4.04 0.00 2.00 1.77 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 2.23 1.91 0.00 138 T 8.05 4.53 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 1.13 0.00 0.00 139 P 0.00 4.22 0.00 2.01 1.99 0.00 3.69 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 2.02 2.09 0.00 140 G 8.95 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 0.00 141 K 7.63 3.98 0.00 1.79 2.00 0.00 1.57 0.00 0.00 1.66 0.00 0.00 2.77 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.37 7.81 142 E 8.14 3.99 0.00 1.93 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 2.29 2.33 0.00 143 R 7.27 4.08 0.00 1.90 1.97 0.00 3.14 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 *146 E 7.94 4.21 0.00 2.05 1.96 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 2.26 2.28 0.00 147 V 7.86 3.52 2.33 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 1.04 0.00 0.00 1.11 0.00 0.00 148 A 8.04 3.40 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.58 3.63 1.83 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 1.61 0.99 0.87 0.00 0.00 150 D 8.06 4.29 0.00 2.74 2.63 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 0.00 151 R 7.82 3.80 0.00 0.99 1.67 0.00 3.16 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.25 0.00 152 I 7.70 3.81 1.82 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 1.51 1.38 0.91 0.00 0.00 153 A 7.34 3.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Q 8.35 4.06 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 155 L 8.36 4.13 0.00 1.63 1.74 1.00 0.95 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 0.00 156 G 7.71 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 0.00 157 A 7.68 4.18 1.16 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 * Residues marked with a * may have inaccurate shift predictions.