NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.0860 8.1885 115.2428 58.3478 63.6546 174.3030 7 A 2.8353 7.7887 130.6075 54.5863 18.3461 177.6922 8 Q 3.6486 8.0940 117.8958 59.0461 29.2635 177.1896 9 A 3.9107 7.6691 121.1838 55.0453 18.3176 179.6234 10 I 3.4621 7.9512 118.5470 64.6333 37.1400 178.4181 11 I 3.5128 7.2173 120.1090 64.4412 36.7670 178.4973 12 R 3.7414 7.6251 118.6702 59.5076 29.8298 178.1850 13 E 3.8878 7.9247 117.5915 58.5496 29.6901 177.7547 14 L 4.3577 7.8143 116.3138 53.0347 43.4735 176.0592 15 G 3.7326 7.3536 106.6841 46.3330 0.0000 173.5767 16 L 4.7585 8.0839 117.5918 54.3242 43.6347 178.0701 17 E 5.0435 9.4511 119.8811 53.7409 34.3308 173.2842 18 P 4.1703 0.0000 0.0000 63.5317 32.1094 175.2585 19 H 4.8283 9.0441 122.8966 53.4562 31.9401 173.2903 20 P 4.1627 0.0000 0.0000 65.8813 31.4599 176.9013 21 E 4.3249 8.5342 113.6332 56.0861 29.8430 176.9852 22 G 4.0585 8.3185 105.6634 47.1647 0.0000 174.3954 23 G 3.8214 8.6269 106.5759 44.2234 0.0000 171.7769 24 F 5.5874 8.6095 116.1086 56.1861 42.8250 174.8740 25 Y 5.5868 9.0293 118.8375 57.8190 42.1080 172.4916 26 H 4.2574 8.5233 113.6657 55.4861 32.9387 173.7404 27 Q 4.5674 8.6778 128.5766 56.6217 29.2794 175.7434 28 T 4.5631 8.5439 114.9019 61.1952 70.4603 173.6792 29 F 4.6296 7.5470 121.6411 57.5931 42.9427 172.4624 30 R 4.4267 7.6781 125.4672 54.0797 32.7292 173.8576 31 D 3.9367 8.2687 127.8730 54.2108 41.9768 177.2168 32 K 4.0528 8.7228 122.6124 57.0183 32.1151 176.4188 33 A 4.5872 8.1257 122.6700 51.5737 22.2584 176.2469 34 G 3.4772 8.4517 107.9703 45.5494 0.0000 172.6743 35 G 3.9002 7.7138 104.9909 44.8502 0.0000 172.9304 36 E 4.0338 8.2964 117.2168 58.4450 29.6693 178.6103 37 R 3.9181 7.8705 113.5500 56.4716 30.0647 177.2552 38 G 3.8770 7.3672 105.4376 45.3223 0.0000 173.0095 39 H 4.5180 8.5464 114.9850 58.2767 29.3314 176.0901 40 S 5.3975 7.8144 111.8416 58.9637 67.4814 174.5145 41 T 5.2548 8.3034 110.1782 60.2057 72.5880 172.3995 42 A 5.2215 9.3542 124.2803 50.4076 22.5299 175.2464 43 I 4.9084 8.5111 121.1902 59.7606 42.1447 173.8818 44 Y 5.3017 8.6012 121.7115 56.9203 40.4108 174.3405 45 Y 5.5205 9.3295 123.5848 56.1748 43.0409 173.4133 46 L 5.6053 8.7114 126.4652 52.2672 46.4457 174.8297 47 L 4.9638 8.4465 124.1968 53.1479 45.0336 176.4104 48 E 4.9785 8.8903 123.7882 54.6049 31.6678 176.0319 49 K 4.0130 8.7370 121.0693 58.0757 32.5754 178.5923 50 G 4.0317 8.7669 112.5646 46.4425 0.0000 174.1258 51 V 4.1401 7.8896 119.9640 60.4635 32.4945 175.7487 52 R 4.7944 8.2799 119.5569 53.9923 31.8273 174.7971 53 S 4.4234 8.9563 118.1815 59.0474 63.3241 174.4443 54 H 4.6967 8.7646 121.6015 55.1127 29.4090 175.5117 55 W 4.8603 8.9855 121.5274 58.4286 29.8504 174.9493 56 H 5.2273 9.2795 117.9503 56.1176 32.2022 172.2086 57 R 4.5615 8.1557 110.4863 55.6681 32.9558 174.1715 58 V 4.2768 8.0741 122.5680 61.8735 32.1730 176.0533 59 T 4.1681 8.8878 119.4727 63.4293 68.6778 176.5175 60 D 4.7814 7.6267 120.5047 51.7644 40.4153 175.4443 61 A 4.5421 7.4733 118.3736 52.3462 22.8908 176.0274 62 V 4.6118 8.2501 119.1897 61.2772 34.2621 174.1087 63 E 5.1543 8.9588 127.7574 54.3976 32.6363 174.3482 64 V 4.9357 8.8314 127.0993 61.0408 34.3423 174.2335 65 W 5.1169 9.1013 127.6636 55.7471 31.5474 175.0591 66 H 5.1765 8.9232 120.6425 53.8287 31.5515 172.3969 67 Y 4.3377 8.9883 126.2771 58.1793 38.8651 175.4058 68 Y 4.6460 8.0048 123.5521 59.3387 41.0527 175.2679 69 A 4.0794 6.6118 117.6201 53.2635 22.7957 177.0068 70 G 3.1798 8.6841 106.6617 44.2399 0.0000 173.2588 71 A 4.3373 7.4344 120.5638 50.9215 19.4453 176.2746 72 P 4.6452 0.0000 0.0000 62.8899 33.4086 174.8217 73 I 4.8688 8.6606 119.6932 59.6464 40.7772 175.4032 74 A 4.6391 8.4394 127.8037 50.4523 18.9544 174.1989 75 L 4.1426 8.2871 121.9839 54.6744 43.3761 174.9527 76 H 5.0787 8.9422 125.7144 54.9058 30.0745 174.7905 77 L 5.6224 9.1874 123.6521 53.4689 45.3775 175.9107 78 S 4.8190 9.4023 115.6104 58.1300 65.4869 174.8624 79 Q 4.1853 9.2104 128.7695 58.2529 29.2062 175.9813 80 D 4.9277 8.2600 115.8253 53.4547 41.3422 176.4821 81 G 4.2990 8.5120 105.4429 46.4679 0.0000 174.7978 82 R 4.0859 7.8771 117.3500 56.9608 31.8442 175.6646 83 E 4.6468 7.9957 115.4806 54.3791 31.4259 175.4117 84 V 4.8483 8.0674 121.6653 60.0346 34.3934 174.6685 85 Q 4.4711 9.2137 123.3059 54.9400 32.3888 174.0947 86 T 5.0510 8.2727 122.0762 62.4998 71.2818 174.1227 87 F 4.7057 8.3536 121.4920 56.4834 43.8899 174.0412 88 T 4.4507 8.6653 120.7920 62.9009 69.4154 173.9681 89 L 4.6316 9.2659 131.5125 54.5249 41.9713 175.5934 90 G 4.6417 8.7374 112.0958 44.6379 0.0000 168.6621 91 P 4.4796 0.0000 0.0000 63.7632 32.1723 177.4805 92 A 4.3259 7.6727 123.4599 51.5590 15.8022 177.3231 93 I 3.9509 7.8151 121.9191 63.1865 38.1053 177.9865 94 L 4.1950 7.8328 119.3403 57.3498 41.8144 177.6724 95 E 4.2910 7.7608 116.9480 56.5464 29.1692 177.2183 96 G 4.0971 7.9929 110.4437 45.6719 0.0000 174.7661 97 E 4.3578 7.6904 118.1217 56.7342 30.3988 175.6530 98 R 4.8401 8.2920 118.3623 54.4194 34.7240 174.1108 99 P 4.7402 0.0000 0.0000 63.2299 32.9287 174.9997 100 Q 5.2867 7.7860 121.1873 54.0185 31.8396 174.1533 101 V 4.3570 8.4214 119.6089 59.5298 35.0364 174.6373 102 I 4.4427 8.2897 126.5057 60.2641 38.4531 175.2527 103 V 4.2154 8.8929 128.3151 60.4624 32.7659 173.4912 104 P 4.7262 0.0000 0.0000 62.6314 30.9230 176.1883 105 A 4.7661 8.5459 122.9920 52.3248 19.7879 177.1483 106 N 4.1775 9.1656 118.3338 54.6251 38.1986 172.5815 107 C 4.8604 7.1712 115.7240 56.5950 33.3857 173.3289 108 W 4.9446 8.9797 126.9589 57.3882 29.8118 175.1943 109 Q 5.9026 9.8470 121.7922 54.9082 32.1763 173.6661 110 S 4.8175 8.1745 111.2696 58.0983 65.5873 174.3121 111 A 5.2042 8.1634 121.5124 51.4591 22.6950 174.7777 112 E 5.0116 8.4023 116.0553 54.4677 33.3882 175.0058 113 S 4.5534 8.8073 115.8936 58.3476 63.4593 173.3472 114 L 4.5688 8.1576 123.4231 54.1473 41.8402 177.3174 115 G 3.8914 7.7734 108.6685 45.4575 0.0000 174.6066 116 D 4.5380 9.1340 120.4833 57.3249 41.2860 175.6827 117 F 5.3698 7.4584 111.2394 57.8881 41.3414 173.0475 118 T 4.7633 8.1979 114.5434 62.3389 72.8831 172.6894 119 L 5.1560 8.9689 129.4581 53.8931 44.0297 175.7071 120 V 4.8638 9.5141 118.9432 59.6771 36.7539 174.2631 121 G 4.5468 8.2122 106.9777 43.7226 0.0000 171.8893 122 C 5.1620 8.6577 118.7518 57.7440 32.0704 173.0742 123 T 5.0769 8.7337 114.3332 59.7682 71.3464 173.0835 124 V 4.3513 8.2060 125.3880 61.8045 32.8941 174.9530 125 S 4.2293 9.5272 125.5635 61.1329 62.0287 174.4716 126 P 4.0937 0.0000 0.0000 64.2342 32.0300 176.2693 127 G 3.9965 7.5795 106.2410 44.4932 0.0000 173.6779 128 F 3.7686 8.3412 128.3212 58.0141 39.9835 174.6352 129 A 4.5507 7.1947 129.2133 50.6437 22.0574 177.0125 130 F 4.2500 8.9724 122.3260 60.4065 39.1960 177.3118 131 S 4.4186 8.1897 113.4911 59.7641 63.1248 174.5364 132 S 4.5565 8.3022 115.3608 57.7025 63.4735 172.5005 133 F 5.1692 8.0311 124.0753 57.6126 40.4206 175.1085 134 V 4.1690 7.4955 125.2362 61.2856 34.9238 173.7362 *136 A 4.3640 8.5229 119.6069 51.6665 19.9160 177.1612 137 E 4.1004 8.4106 118.5738 55.3743 30.2602 175.4942 138 P 4.5617 0.0000 0.0000 64.3583 31.6985 176.5066 139 G 4.0706 8.9688 108.3600 45.3971 0.0000 173.9606 140 W 4.1758 7.7107 128.7432 57.4451 31.5717 174.9851 141 S 3.0759 5.8100 115.5858 55.6018 64.7350 172.2219 142 P 3.4697 0.0000 0.0000 63.3525 31.2741 175.0861 143 G 4.0831 9.0043 117.2550 46.0694 0.0000 172.7574 144 D 4.3287 6.5775 121.8488 53.8394 40.9798 176.3881 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 6 S 8.19 4.09 0.00 3.75 3.68 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 7 A 7.79 2.84 1.07 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 0.00 0.00 8 Q 8.09 3.65 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.24 2.42 0.00 9 A 7.67 3.91 1.19 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 0.00 0.00 0.00 10 I 7.95 3.46 1.76 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.52 0.77 0.00 0.00 11 I 7.22 3.51 1.76 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.61 0.62 0.00 0.00 12 R 7.63 3.74 0.00 1.82 1.98 0.00 3.10 0.00 0.00 3.03 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 13 E 7.92 3.89 0.00 2.11 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.43 0.00 14 L 7.81 4.36 0.00 1.46 1.44 0.12 0.48 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 15 G 7.35 3.73 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 0.00 0.00 0.00 16 L 8.08 4.76 0.00 1.50 1.79 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 17 E 9.45 5.04 0.00 1.78 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 2.24 0.00 18 P 0.00 4.17 0.00 1.89 1.80 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 19 H 9.04 4.83 0.00 3.17 3.35 0.00 5.62 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.16 0.00 2.29 2.25 0.00 3.06 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 1.84 2.00 0.00 21 E 8.53 4.32 0.00 2.19 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 0.00 2.08 2.28 0.00 22 G 8.32 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 0.00 0.00 0.00 23 G 8.63 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 24 F 8.61 5.59 0.00 2.95 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 25 Y 9.03 5.59 0.00 3.41 3.32 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 26 H 8.52 4.26 0.00 3.28 3.26 0.00 5.87 0.00 0.00 0.00 0.00 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 8.68 4.57 0.00 2.10 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.57 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 28 T 8.54 4.56 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 29 F 7.55 4.63 0.00 3.03 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 30 R 7.68 4.43 0.00 1.61 1.52 0.00 3.21 0.00 0.00 3.24 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.54 0.00 31 D 8.27 3.94 0.00 2.87 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 32 K 8.72 4.05 0.00 1.78 1.80 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.36 7.81 33 A 8.13 4.59 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.45 3.48 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 0.00 35 G 7.71 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 36 E 8.30 4.03 0.00 1.93 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 2.29 2.33 0.00 37 R 7.87 3.92 0.00 1.88 2.01 0.00 3.03 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 38 G 7.37 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 39 H 8.55 4.52 0.00 3.46 3.38 0.00 5.70 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 7.81 5.40 0.00 3.92 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 T 8.30 5.25 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 42 A 9.35 5.22 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.51 4.91 1.72 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.23 0.94 0.00 0.00 44 Y 8.60 5.30 0.00 3.24 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 45 Y 9.33 5.52 0.00 2.90 2.67 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 46 L 8.71 5.61 0.00 1.68 1.44 0.88 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.45 4.96 0.00 1.68 1.60 1.24 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.89 4.98 0.00 1.96 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 2.32 2.44 0.00 49 K 8.74 4.01 0.00 2.03 1.74 0.00 1.86 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.55 7.81 50 G 8.77 4.03 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 0.00 0.00 0.00 51 V 7.89 4.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.01 0.00 0.00 52 R 8.28 4.79 0.00 1.89 1.94 0.00 3.11 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 53 S 8.96 4.42 0.00 3.94 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 54 H 8.76 4.70 0.00 3.23 3.38 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 W 8.99 4.86 0.00 3.43 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 0.00 56 H 9.28 5.23 0.00 3.42 3.58 0.00 5.30 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.16 4.56 0.00 1.59 1.70 0.00 2.21 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.87 0.00 58 V 8.07 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 0.59 0.00 0.00 1.05 0.00 0.00 59 T 8.89 4.17 4.14 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 1.16 0.00 0.00 60 D 7.63 4.78 0.00 2.73 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 61 A 7.47 4.54 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 62 V 8.25 4.61 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.94 0.00 0.00 63 E 8.96 5.15 0.00 2.14 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 2.09 2.12 0.00 64 V 8.83 4.94 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.95 0.00 0.00 65 W 9.10 5.12 0.00 3.23 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 66 H 8.92 5.18 0.00 2.52 3.00 0.00 5.81 0.00 0.00 0.00 0.00 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 8.99 4.34 0.00 3.08 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 68 Y 8.00 4.65 0.00 2.99 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 69 A 6.61 4.08 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 70 G 8.68 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 0.00 0.00 0.00 71 A 7.43 4.34 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.65 0.00 2.04 2.17 0.00 3.58 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 1.91 0.00 73 I 8.66 4.87 1.93 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.77 0.78 0.00 0.00 74 A 8.44 4.64 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 75 L 8.29 4.14 0.00 1.30 1.35 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 76 H 8.94 5.08 0.00 2.92 3.48 0.00 5.62 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 9.19 5.62 0.00 1.83 1.74 0.77 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 78 S 9.40 4.82 0.00 3.92 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 79 Q 9.21 4.19 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 7.21 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 80 D 8.26 4.93 0.00 2.97 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 81 G 8.51 4.30 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 0.00 82 R 7.88 4.09 0.00 1.84 1.89 0.00 3.23 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 83 E 8.00 4.65 0.00 1.97 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 2.22 2.30 0.00 84 V 8.07 4.85 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 0.69 0.00 0.00 1.28 0.00 0.00 85 Q 9.21 4.47 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 1.41 1.99 0.00 86 T 8.27 5.05 4.14 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 1.11 0.00 0.00 87 F 8.35 4.71 0.00 2.84 2.85 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 88 T 8.67 4.45 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 1.16 0.00 0.00 89 L 9.27 4.63 0.00 1.67 1.58 1.08 1.08 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 90 G 8.74 4.64 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 91 P 0.00 4.48 0.00 2.15 2.11 0.00 3.18 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 1.70 1.61 0.00 92 A 7.67 4.33 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 I 7.82 3.95 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.27 0.92 0.00 0.00 94 L 7.83 4.19 0.00 1.70 1.70 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 95 E 7.76 4.29 0.00 1.88 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 2.31 2.37 0.00 96 G 7.99 4.10 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 0.00 0.00 0.00 97 E 7.69 4.36 0.00 2.11 1.90 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 2.34 2.29 0.00 98 R 8.29 4.84 0.00 1.65 1.77 0.00 3.29 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 99 P 0.00 4.74 0.00 2.27 2.43 0.00 3.66 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 2.11 2.02 0.00 100 Q 7.79 5.29 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.72 0.00 0.00 0.00 0.00 0.00 2.21 2.18 0.00 101 V 8.42 4.36 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 0.64 0.00 0.00 0.82 0.00 0.00 102 I 8.29 4.44 1.81 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 1.22 0.47 0.91 0.00 0.00 103 V 8.89 4.22 2.34 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 1.05 0.00 0.00 1.04 0.00 0.00 104 P 0.00 4.73 0.00 2.16 2.00 0.00 3.76 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 105 A 8.55 4.77 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 0.00 106 N 9.17 4.18 0.00 3.05 2.75 0.00 0.00 6.63 7.56 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 0.00 107 C 7.17 4.86 0.00 3.32 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 0.00 108 W 8.98 4.94 0.00 3.79 3.45 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 0.00 109 Q 9.85 5.90 0.00 2.10 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.55 2.13 0.00 110 S 8.17 4.82 0.00 3.42 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 0.00 111 A 8.16 5.20 0.98 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 0.00 0.00 0.00 0.00 0.00 112 E 8.40 5.01 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 113 S 8.81 4.55 0.00 4.09 3.86 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 0.00 114 L 8.16 4.57 0.00 1.69 1.64 0.91 0.89 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 0.00 115 G 7.77 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 0.00 116 D 9.13 4.54 0.00 2.94 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 0.00 117 F 7.46 5.37 0.00 3.07 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 0.00 118 T 8.20 4.76 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 1.43 0.00 0.00 119 L 8.97 5.16 0.00 1.97 1.65 0.91 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 120 V 9.51 4.86 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 0.88 0.00 0.00 1.21 0.00 0.00 121 G 8.21 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 122 C 8.66 5.16 0.00 2.48 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 0.00 123 T 8.73 5.08 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 1.20 0.00 0.00 124 V 8.21 4.35 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 1.05 0.00 0.00 1.04 0.00 0.00 125 S 9.53 4.23 0.00 3.80 3.73 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 0.00 126 P 0.00 4.09 0.00 2.15 2.12 0.00 3.70 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 2.14 2.10 0.00 127 G 7.58 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 0.00 0.00 0.00 128 F 8.34 3.77 0.00 2.89 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 0.00 129 A 7.19 4.55 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 0.00 130 F 8.97 4.25 0.00 3.31 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 0.00 131 S 8.19 4.42 0.00 3.99 4.03 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 0.00 132 S 8.30 4.56 0.00 3.84 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 0.00 133 F 8.03 5.17 0.00 2.68 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 0.00 134 V 7.50 4.17 1.75 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 0.77 0.00 0.00 0.76 0.00 0.00 *136 A 8.52 4.36 0.71 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 0.00 0.00 137 E 8.41 4.10 0.00 2.06 1.92 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 2.34 2.24 0.00 138 P 0.00 4.56 0.00 2.22 2.09 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 139 G 8.97 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 0.00 0.00 0.00 140 W 7.71 4.18 0.00 3.23 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 0.00 141 S 5.81 3.08 0.00 3.43 3.58 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 0.00 0.00 0.00 142 P 0.00 3.47 0.00 1.93 1.59 0.00 2.28 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 1.46 1.08 0.00 143 G 9.00 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 0.00 0.00 0.00 144 D 6.58 4.33 0.00 2.21 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.