NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.4335 8.1693 120.6411 54.9443 43.0325 175.8213 8 H 4.8776 8.3930 118.2169 52.9216 31.5913 171.3654 9 K 4.5329 9.2871 121.9064 56.2464 34.0216 177.3306 10 E 5.0238 9.5643 124.0712 53.8239 33.0986 173.9608 11 P 4.8890 0.0000 0.0000 63.1527 32.6528 174.8146 12 A 4.8445 8.3012 121.0539 51.6411 22.6857 175.7010 13 T 4.6566 8.4780 115.3405 61.1068 72.3491 173.7842 14 L 4.3407 8.6754 127.2220 56.4832 42.0443 176.3387 15 I 4.2061 8.6140 127.0541 63.0423 38.2491 176.1186 16 K 4.5570 8.4972 121.9758 54.8861 35.9736 174.6876 17 A 4.2676 8.8237 130.6229 52.7058 18.2883 175.5722 18 I 4.3029 7.7393 121.4875 61.7180 39.9021 178.0213 19 D 4.6700 8.2930 120.6192 52.5672 41.8602 176.1245 20 G 3.5081 9.0258 106.4522 48.8011 0.0000 173.7337 21 D 5.1130 8.5770 116.6151 52.7415 41.6874 175.3236 22 T 5.8130 8.1895 108.7367 59.5146 72.6399 173.2091 23 V 4.6888 8.1274 120.8938 60.6656 35.0285 172.2252 24 K 4.8356 9.5261 126.8074 55.5353 33.5030 175.3233 25 L 5.3775 9.3471 126.8769 53.2311 46.6395 175.7672 26 M 4.9094 9.7415 122.2686 54.7435 33.2238 174.8237 27 Y 4.8491 9.2639 126.4373 55.8164 41.7835 175.7281 28 K 3.4942 9.5522 126.8511 57.3112 29.7723 176.3544 29 G 3.9862 8.6082 106.0798 45.2121 0.0000 173.9588 30 Q 4.7186 7.7345 119.2185 52.9384 31.2595 172.9584 31 P 4.9689 0.0000 0.0000 63.1338 32.3081 175.3655 32 M 4.7685 9.6116 123.9629 53.9761 35.9928 173.8943 33 T 4.6326 8.5862 123.0377 63.5470 70.1301 173.2766 34 F 4.9749 9.7970 126.0513 55.8060 41.6317 174.6516 35 R 5.0697 8.9133 124.0344 54.5038 32.6240 174.9373 36 L 4.7042 8.7004 126.8280 54.0192 42.7755 176.7423 37 L 3.8480 8.3426 124.9935 56.4358 42.2429 177.4723 38 L 4.5663 8.9037 120.2126 55.3761 39.1304 173.5512 39 V 4.7691 7.3883 117.0515 61.0976 34.5795 174.7257 40 D 4.9170 9.0662 125.7182 52.9629 43.8984 174.4927 41 T 4.7591 9.0045 116.8551 59.5509 70.6949 173.3082 42 P 4.5131 0.0000 0.0000 62.4549 32.1483 176.4882 43 E 4.0703 9.4170 120.9171 56.6606 29.9771 177.9146 *50 F 4.5795 8.3716 122.0321 57.9974 41.0056 175.2744 51 N 4.5633 8.2274 115.3240 52.5234 37.2960 174.4087 52 E 4.3625 7.8863 120.5302 54.5796 31.5249 174.8583 53 K 3.8006 8.1750 121.0950 58.0283 32.4884 176.4936 54 Y 4.5281 7.7710 121.6189 59.0391 35.9787 171.3082 55 G 3.5977 7.7104 107.8797 47.6115 0.0000 174.3905 56 P 4.3104 0.0000 0.0000 65.0191 31.2740 178.6130 57 E 4.0667 8.1900 116.9380 59.1495 29.4221 179.1490 58 A 4.0284 8.1998 120.9223 55.3256 18.5336 179.6948 59 S 4.1353 8.4613 113.7354 61.8466 62.9763 176.9402 60 A 4.0400 8.2771 123.2509 55.0410 18.2672 179.2955 61 F 3.9630 8.4954 119.2167 61.9813 39.5212 177.5228 62 T 3.9421 8.2291 115.2311 66.3541 68.2355 176.6516 63 K 3.8971 8.0868 121.6013 59.4509 32.3161 178.8439 64 K 3.9331 8.0509 119.9144 59.5645 31.8530 178.5200 65 M 3.8686 7.4315 117.2509 58.7008 32.6110 178.3783 66 V 3.7689 8.1872 113.0238 64.3698 31.5157 178.4728 67 E 4.0799 8.4645 117.9168 59.3896 29.3564 178.7508 68 N 4.4986 8.1296 115.1462 54.1938 39.0496 175.8450 69 A 4.9397 6.8727 121.7662 51.7648 19.0019 177.7260 70 K 4.1511 9.1926 122.8723 58.3017 32.6859 177.6336 71 K 4.6274 9.0272 118.7529 54.9972 35.4865 175.3030 72 I 4.8761 8.3806 125.2816 59.6256 39.4343 174.3176 73 E 5.1027 8.9986 126.1674 54.5075 33.0806 175.0052 74 V 4.1467 8.8305 123.6105 61.3259 33.9046 174.3883 75 E 4.7187 8.6755 127.8241 54.1744 31.8539 174.6197 76 F 4.6827 8.4449 125.3540 57.6332 40.0137 175.7058 77 D 4.8932 8.4965 120.9455 53.5955 43.1222 175.7581 78 K 4.3628 9.1028 117.4973 57.3791 33.0891 178.1812 79 G 4.1450 7.8627 110.6848 44.3522 0.0000 173.2945 80 Q 3.9266 8.6112 122.3820 56.8981 29.6645 177.9681 81 R 4.4199 8.4114 122.1150 56.6444 31.2799 176.0652 82 T 4.9051 7.4357 114.0067 61.5337 72.0470 173.4877 83 D 4.9371 9.0988 125.9175 50.9092 41.0796 177.2438 84 K 3.8951 8.1413 117.4242 59.1250 32.4433 177.0594 85 Y 4.4367 7.8024 116.2475 57.6643 37.9774 175.9046 86 G 3.8632 8.3357 108.1121 45.9933 0.0000 173.7906 87 R 4.3600 8.3144 119.3212 54.6399 31.7050 176.5744 88 G 3.3745 8.3025 110.9644 46.2461 0.0000 172.3236 89 L 5.4373 8.9736 123.3314 52.9718 43.5218 175.7231 90 A 4.5560 8.5431 124.1436 50.9330 23.5755 174.1228 91 Y 4.7794 8.5133 117.2226 57.2686 39.7180 175.0225 92 I 4.8961 8.8494 124.6507 59.6583 40.3849 174.0890 93 Y 5.1076 8.9540 123.6250 56.0513 41.2420 174.5802 94 A 4.8183 9.9939 126.0989 49.9571 21.3012 176.2691 95 D 4.0832 9.8902 125.7400 56.2056 38.9518 176.1961 96 G 3.9678 8.2150 104.3569 45.4574 0.0000 173.0903 97 K 4.5299 7.6765 120.1910 54.8400 33.9109 175.3812 98 M 4.0944 8.5207 123.0660 54.7557 32.9189 176.6915 99 V 3.6168 8.5609 127.5801 66.3727 31.3219 177.2964 100 N 4.2562 8.2000 115.5481 56.7359 38.3678 176.7760 101 E 3.9841 8.0911 119.4830 59.2213 29.8066 178.4817 102 A 4.1478 8.0652 120.7389 54.9823 18.3364 179.6594 103 L 3.5718 7.9955 117.6814 57.6972 41.6893 179.7866 104 K 3.9706 7.6605 117.1480 59.5850 31.8326 179.2942 105 R 4.0593 8.1137 117.8649 59.3781 30.0840 177.6615 106 Q 4.2742 7.9349 114.7570 55.1796 29.1337 176.0692 107 G 3.9467 8.0307 108.7951 46.8042 0.0000 174.8091 108 L 4.5829 7.9770 117.3879 53.9956 42.7143 176.3536 109 A 4.8575 7.6941 119.2616 50.3191 22.6154 175.5576 110 K 5.0432 8.4624 118.6311 54.3955 35.3231 176.2910 111 V 4.4570 8.9729 123.3334 61.9791 32.3156 175.1803 112 A 4.2937 8.9313 124.4962 50.5137 23.3312 174.9215 113 Y 3.0442 7.4037 114.0609 58.9815 35.3142 173.6200 114 V 3.9678 7.1745 118.2392 62.0158 31.5981 173.8675 115 Y 4.7941 8.1096 125.1440 55.4786 40.0578 175.7294 116 K 4.2846 8.5936 125.5831 57.8419 32.9362 176.0310 117 G 4.1876 9.5607 113.3682 45.4772 0.0000 173.2462 118 N 5.3178 7.9163 115.8254 52.5710 39.1559 174.3932 119 N 5.2099 7.8843 110.3004 52.9681 39.1865 176.4155 120 T 3.8454 8.6102 118.2695 67.5935 68.7369 174.6731 121 H 4.8790 8.0485 116.0926 55.7425 29.2424 176.7017 122 E 3.9728 8.6721 122.9243 59.6545 29.3857 178.6856 123 Q 3.9639 8.0417 117.3140 58.8959 28.9032 178.2670 124 L 3.9107 7.9533 120.6883 58.4974 41.9959 178.9992 125 L 4.0788 8.0150 118.6171 57.7371 41.5579 179.6996 126 R 3.9061 8.4348 118.5630 58.6604 29.9118 178.8935 127 K 3.7955 8.5149 119.8528 59.4710 32.2083 178.4325 128 A 3.9598 7.9718 120.8976 55.2757 18.2883 179.1321 129 E 3.8383 8.4502 117.6002 59.3149 29.6341 178.6755 130 A 3.7327 8.2610 121.1325 55.3716 18.4322 179.4598 131 Q 3.7922 8.0493 117.6355 59.1292 29.1189 178.1797 132 A 3.9705 8.0958 121.9718 55.1167 18.2347 179.5945 133 K 3.3714 7.9633 117.2083 58.9107 32.0931 179.0752 134 K 4.0509 7.6947 118.5320 59.4167 32.1871 178.5909 135 E 4.1480 7.9054 115.0719 55.8384 30.1539 176.6263 136 K 4.0375 8.0256 117.4855 57.2551 30.0599 175.3574 137 L 4.2013 8.0664 117.9960 55.8224 44.3071 178.8098 138 N 3.5880 9.3829 118.8462 54.4818 37.9721 175.6575 139 I 3.3225 5.4200 119.5437 62.3087 38.5142 177.3642 140 W 4.7998 7.8630 120.9482 56.5386 29.4494 176.1118 141 S 4.4535 7.8605 119.5015 58.5469 62.6736 173.9443 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 7 L 8.17 4.43 0.00 1.71 1.77 0.99 0.90 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 8 H 8.39 4.88 0.00 3.28 3.27 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.29 4.53 0.00 1.58 1.78 0.00 1.39 0.00 0.00 1.33 0.00 0.00 2.13 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.17 1.28 7.81 10 E 9.56 5.02 0.00 2.14 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 2.42 2.41 0.00 11 P 0.00 4.89 0.00 2.10 2.06 0.00 3.88 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 2.00 1.99 0.00 12 A 8.30 4.84 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 13 T 8.48 4.66 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 1.22 0.00 0.00 14 L 8.68 4.34 0.00 1.63 1.60 1.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.61 4.21 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.74 0.93 0.00 0.00 16 K 8.50 4.56 0.00 1.78 1.61 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.39 7.81 17 A 8.82 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.74 4.30 2.03 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 1.47 0.85 0.90 0.00 0.00 19 D 8.29 4.67 0.00 2.88 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 9.03 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.58 5.11 0.00 2.80 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.19 5.81 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 1.21 0.00 0.00 23 V 8.13 4.69 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 0.72 0.00 0.00 1.01 0.00 0.00 24 K 9.53 4.84 0.00 1.90 1.94 0.00 1.49 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.52 7.81 25 L 9.35 5.38 0.00 1.75 1.55 0.38 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.74 4.91 0.00 1.85 2.24 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.67 0.00 27 Y 9.26 4.85 0.00 3.21 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 9.55 3.49 0.00 1.50 1.64 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.01 0.21 7.81 29 G 8.61 3.99 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 0.00 30 Q 7.73 4.72 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.95 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 31 P 0.00 4.97 0.00 2.11 2.11 0.00 3.75 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 32 M 9.61 4.77 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 1.81 0.00 33 T 8.59 4.63 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 34 F 9.80 4.97 0.00 3.08 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.91 5.07 0.00 1.87 1.75 0.00 3.34 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 36 L 8.70 4.70 0.00 1.83 1.62 0.98 0.41 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 37 L 8.34 3.85 0.00 0.82 1.22 0.37 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.90 4.57 0.00 2.05 1.92 1.13 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.39 4.77 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 0.80 0.00 0.00 1.08 0.00 0.00 40 D 9.07 4.92 0.00 2.94 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 9.00 4.76 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 1.33 0.00 0.00 42 P 0.00 4.51 0.00 2.14 2.08 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.08 0.00 43 E 9.42 4.07 0.00 1.97 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 2.36 2.42 0.00 *50 F 8.37 4.58 0.00 3.03 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 51 N 8.23 4.56 0.00 2.85 2.99 0.00 0.00 6.00 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 52 E 7.89 4.36 0.00 2.12 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 2.24 2.21 0.00 53 K 8.18 3.80 0.00 1.53 1.64 0.00 1.26 0.00 0.00 1.39 0.00 0.00 2.13 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.18 0.68 7.81 54 Y 7.77 4.53 0.00 3.15 2.98 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 55 G 7.71 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 56 P 0.00 4.31 0.00 2.03 1.90 0.00 3.35 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.23 0.00 57 E 8.19 4.07 0.00 2.34 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 0.00 2.54 2.51 0.00 58 A 8.20 4.03 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 59 S 8.46 4.14 0.00 4.10 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 60 A 8.28 4.04 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.50 3.96 0.00 3.32 3.26 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 0.00 62 T 8.23 3.94 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 1.29 0.00 0.00 63 K 8.09 3.90 0.00 1.99 2.04 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.51 7.81 64 K 8.05 3.93 0.00 1.90 1.73 0.00 1.66 0.00 0.00 1.52 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.38 7.81 65 M 7.43 3.87 0.00 2.03 1.70 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 66 V 8.19 3.77 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 0.79 0.00 0.00 1.05 0.00 0.00 67 E 8.46 4.08 0.00 1.98 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 2.34 2.41 0.00 68 N 8.13 4.50 0.00 2.70 2.84 0.00 0.00 7.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 6.87 4.94 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 70 K 9.19 4.15 0.00 1.87 1.88 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.42 7.81 71 K 9.03 4.63 0.00 1.73 1.88 0.00 1.28 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.38 7.81 72 I 8.38 4.88 2.04 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 1.34 1.27 0.84 0.00 0.00 73 E 9.00 5.10 0.00 1.94 1.80 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 2.20 2.21 0.00 74 V 8.83 4.15 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 -0.11 0.00 0.00 0.02 0.00 0.00 75 E 8.68 4.72 0.00 2.24 2.29 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 2.50 2.53 0.00 76 F 8.44 4.68 0.00 3.03 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 77 D 8.50 4.89 0.00 2.69 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 78 K 9.10 4.36 0.00 1.94 1.88 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.57 7.81 79 G 7.86 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 80 Q 8.61 3.93 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.28 0.00 81 R 8.41 4.42 0.00 1.60 1.32 0.00 2.73 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.40 0.00 82 T 7.44 4.91 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 1.13 0.00 0.00 83 D 9.10 4.94 0.00 2.76 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 84 K 8.14 3.90 0.00 1.58 1.72 0.00 1.22 0.00 0.00 1.44 0.00 0.00 2.84 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.65 0.38 7.81 85 Y 7.80 4.44 0.00 3.07 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 86 G 8.34 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 0.00 0.00 0.00 87 R 8.31 4.36 0.00 2.08 1.78 0.00 3.11 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 88 G 8.30 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.97 5.44 0.00 1.50 1.60 0.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.54 4.56 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.51 4.78 0.00 2.95 2.58 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 92 I 8.85 4.90 1.79 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.95 0.81 0.00 0.00 93 Y 8.95 5.11 0.00 2.81 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 94 A 9.99 4.82 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 0.00 0.00 0.00 0.00 0.00 0.00 95 D 9.89 4.08 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 96 G 8.22 3.97 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 0.00 0.00 0.00 97 K 7.68 4.53 0.00 2.03 1.77 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.39 7.81 98 M 8.52 4.09 0.00 1.89 1.66 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 2.34 0.00 99 V 8.56 3.62 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 1.06 0.00 0.00 0.95 0.00 0.00 100 N 8.20 4.26 0.00 2.89 2.98 0.00 0.00 6.71 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 0.00 101 E 8.09 3.98 0.00 1.98 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 2.38 2.36 0.00 102 A 8.07 4.15 1.68 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 0.00 0.00 103 L 8.00 3.57 0.00 1.90 1.68 1.04 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 104 K 7.66 3.97 0.00 2.01 1.97 0.00 1.85 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.73 1.63 7.81 105 R 8.11 4.06 0.00 1.85 2.12 0.00 3.29 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 106 Q 7.93 4.27 0.00 1.52 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.30 0.00 0.00 0.00 0.00 0.00 2.28 2.17 0.00 107 G 8.03 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 7.98 4.58 0.00 1.25 1.54 0.54 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.69 4.86 1.17 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 0.00 0.00 110 K 8.46 5.04 0.00 1.76 1.81 0.00 1.63 0.00 0.00 1.73 0.00 0.00 2.56 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.07 1.19 7.81 111 V 8.97 4.46 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 0.70 0.00 0.00 0.99 0.00 0.00 112 A 8.93 4.29 1.04 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 0.00 0.00 113 Y 7.40 3.04 0.00 3.15 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.17 3.97 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 0.93 0.00 0.00 0.95 0.00 0.00 115 Y 8.11 4.79 0.00 3.04 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 0.00 116 K 8.59 4.28 0.00 1.75 1.77 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.54 7.81 117 G 9.56 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 0.00 0.00 0.00 0.00 118 N 7.92 5.32 0.00 2.78 2.84 0.00 0.00 6.75 8.12 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 0.00 119 N 7.88 5.21 0.00 2.88 3.15 0.00 0.00 6.06 7.22 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 0.00 120 T 8.61 3.85 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 121 H 8.05 4.88 0.00 2.96 3.08 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.67 3.97 0.00 2.15 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 2.33 2.39 0.00 123 Q 8.04 3.96 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.63 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 124 L 7.95 3.91 0.00 1.74 1.79 0.90 0.59 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 0.00 125 L 8.02 4.08 0.00 1.80 1.74 1.08 0.88 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 0.00 126 R 8.43 3.91 0.00 1.99 1.95 0.00 3.12 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 127 K 8.51 3.80 0.00 1.92 1.87 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.44 7.81 128 A 7.97 3.96 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 0.00 129 E 8.45 3.84 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.54 0.00 130 A 8.26 3.73 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 0.00 131 Q 8.05 3.79 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.57 0.00 132 A 8.10 3.97 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 7.96 3.37 0.00 0.95 1.47 0.00 1.30 0.00 0.00 1.08 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.90 0.21 7.81 134 K 7.69 4.05 0.00 1.88 1.80 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.38 7.81 135 E 7.91 4.15 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 2.33 2.47 0.00 136 K 8.03 4.04 0.00 1.89 2.01 0.00 2.06 0.00 0.00 1.95 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.40 7.81 137 L 8.07 4.20 0.00 1.96 1.71 1.00 0.62 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 0.00 138 N 9.38 3.59 0.00 2.65 1.86 0.00 0.00 6.89 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 I 5.42 3.32 1.30 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 -0.36 0.47 0.00 0.00 140 W 7.86 4.80 0.00 3.23 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 S 7.86 4.45 0.00 4.05 3.98 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 * Residues marked with a * may have inaccurate shift predictions.