NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5578 8.2893 120.3433 55.5781 32.7529 174.5444 2 E 4.2312 7.8201 119.0771 53.9342 32.6620 172.2238 3 E 3.8310 9.1269 120.8911 55.2933 31.2744 177.0781 4 I 3.4287 5.5879 126.5493 59.0499 39.2113 175.6527 5 N 4.4158 7.7547 123.5309 52.4671 38.8342 175.4407 6 T 3.7108 8.1242 120.0608 64.5077 68.7486 176.0945 7 K 3.9875 7.9901 122.0243 59.1494 32.2929 178.3506 8 E 3.9170 8.6797 119.8259 59.3126 29.5425 178.8439 9 V 3.7878 8.1171 118.3099 66.0343 31.5229 177.8006 10 A 4.0927 8.3063 120.4632 55.3194 18.2529 179.4121 11 Q 3.9259 8.1905 118.0927 59.3802 29.1367 178.7288 12 R 4.0527 8.2256 120.5331 58.6498 30.1019 178.9491 13 I 3.6588 8.1340 119.9224 64.7453 37.2423 178.3153 14 T 3.8131 8.0021 116.7449 67.0511 68.3092 176.6834 15 T 3.8524 8.0577 111.4270 64.7626 68.7104 176.3960 16 E 3.8399 8.6551 121.8932 59.0318 29.5203 179.2364 17 L 3.9890 8.1756 119.3198 57.9621 41.1687 179.9104 18 K 4.0322 7.9295 118.0342 59.0460 31.6947 179.5097 19 R 3.7479 7.9130 118.8481 59.1940 29.9942 177.4492 20 Y 4.7981 7.4571 113.3106 56.6960 38.5071 175.5847 21 S 3.6897 7.4592 113.5340 59.5244 61.1921 172.7759 22 I 4.3097 8.0422 121.3850 59.1654 37.8259 175.2936 23 P 4.4391 0.0000 0.0000 62.7514 33.1786 177.1496 24 Q 4.0045 8.6890 118.6483 59.2041 28.6835 178.9827 25 A 4.0226 8.0252 121.2091 55.2494 18.3570 179.6547 26 I 3.5957 7.6628 117.5947 64.4260 37.2885 178.1611 27 F 3.8196 7.9982 120.6810 61.1339 39.1359 176.7278 28 A 3.8745 8.5578 120.8105 55.2886 17.9711 179.6739 29 Q 3.9198 7.9285 115.8966 59.5087 28.5706 178.8540 30 R 3.8246 7.7900 119.1401 58.5147 30.2525 177.9434 31 V 3.6755 7.4076 116.9347 64.0556 31.8593 176.4422 32 L 4.3271 7.2501 116.0737 53.7372 42.6537 175.6760 33 C 4.1926 7.8100 114.2451 59.9139 25.5443 172.2945 34 R 4.6796 7.9401 116.4846 53.6884 33.9208 175.9814 35 S 4.5529 8.1065 113.7791 57.4718 65.5917 174.9067 36 Q 4.0267 8.5304 123.0599 59.4514 28.9571 178.7036 37 G 3.6075 8.0522 106.1617 48.0159 0.0000 175.5464 38 T 3.8640 7.8665 118.0357 66.3386 68.4332 176.3914 39 L 3.9128 7.8728 122.1524 58.1405 42.1002 178.7018 40 S 4.0611 8.2936 113.3538 61.7083 62.2469 175.8215 41 D 4.3568 8.0370 120.1705 57.2142 40.7198 178.1114 42 L 4.1337 7.8171 118.7659 57.9155 41.7054 179.2285 43 L 4.2243 8.0441 118.0736 57.6520 41.6204 179.2424 44 R 4.2695 7.9340 117.0926 57.5059 31.3489 176.6616 45 N 5.1529 8.4143 114.7782 51.3497 39.1760 173.2853 46 P 4.5784 0.0000 0.0000 62.8059 32.4830 176.8130 47 K 4.2884 8.4493 121.8112 54.6771 33.2595 175.1164 48 P 4.3359 0.0000 0.0000 62.4761 32.0181 176.8906 49 W 4.2061 9.0034 130.3163 60.7252 30.6056 178.4035 50 S 4.1344 8.1467 110.9618 60.6569 62.4902 174.9951 51 K 4.1855 7.5781 118.8700 57.0096 32.3923 177.0697 52 L 4.2860 7.1929 119.3384 54.1399 43.9968 175.8566 53 K 4.2554 8.0791 120.5806 56.4081 31.6214 179.4609 54 S 4.4189 9.1062 117.1615 60.1792 62.8746 174.6728 55 G 3.8858 7.9087 108.7840 46.3788 0.0000 175.5319 56 R 4.0021 7.8260 120.8387 59.0256 29.8965 178.1785 57 E 4.0619 7.9248 118.0963 59.9341 29.5766 179.1670 58 T 3.8735 7.6158 114.9631 66.7624 68.4050 176.7336 59 F 4.1916 8.3940 119.1869 60.3461 38.9919 177.8763 60 R 4.2198 8.8129 118.5464 59.4497 29.9139 179.2122 61 R 4.1023 8.4512 118.0590 59.5447 30.0259 179.1149 62 M 4.3869 8.3152 118.5985 58.1250 32.0182 178.5882 63 W 4.5522 8.7686 128.7125 60.6680 30.9787 178.0829 64 K 3.8079 8.7305 118.8898 59.1976 31.2579 179.0756 65 W 4.1406 8.1469 127.5498 60.5950 30.7660 177.7555 66 L 3.9906 8.0418 117.7899 57.7662 41.0882 179.1402 67 Q 3.7786 7.3740 117.2273 56.9363 29.3187 176.6335 68 E 4.0457 7.2463 118.2406 54.6878 30.6617 174.7397 69 P 4.4368 0.0000 0.0000 62.8570 33.1763 176.6749 70 E 3.6758 8.5437 118.1413 60.3266 29.2989 180.0262 71 F 4.5122 7.8792 116.6489 60.6119 39.0125 177.5192 72 Q 3.9701 8.0190 119.0340 59.0750 28.7197 178.1279 73 R 4.3161 7.5173 119.5761 58.9462 30.2950 178.6779 74 M 4.3004 8.1177 118.4323 58.5465 31.7753 178.6836 75 S 4.1170 8.2129 112.0574 61.4538 62.7656 175.8750 76 A 4.2580 8.3532 123.3151 54.6747 17.8398 179.1043 77 L 4.2471 7.7166 114.1293 55.5045 41.2983 177.9956 78 R 4.6799 7.8158 112.9104 56.1527 31.2975 175.7698 79 L 4.5626 7.4771 116.1280 53.9468 40.0049 174.3781 *100 P 4.0979 0.0000 0.0000 62.3319 32.6574 177.3875 101 R 3.8862 8.5599 120.3288 55.8778 29.6935 176.3486 102 L 3.9445 8.3606 123.8630 55.0311 42.6806 176.0409 103 V 4.2080 7.9131 124.3404 60.5193 33.9054 175.0799 104 F 4.8001 8.4670 126.5409 57.6476 39.4972 175.9833 105 T 4.2159 9.4709 116.5831 61.4563 70.7408 175.3218 106 D 4.3851 8.7451 122.3401 57.7965 40.8531 179.7234 107 V 3.6245 7.6961 119.0011 64.7405 31.4613 178.4419 108 Q 3.7501 7.9522 118.4085 58.5533 28.6267 178.2057 109 R 3.5201 7.9708 119.9062 59.6874 29.9651 178.5843 110 R 3.9091 7.8317 117.3756 59.5961 30.0942 179.2196 111 T 3.7926 7.8430 115.3867 66.4792 68.3249 176.6575 112 L 3.4582 7.7856 121.1377 57.9273 41.4177 179.3631 113 H 4.3273 7.9670 115.7499 58.7884 28.2326 177.5542 114 A 4.0603 8.2685 122.8289 55.4625 18.1475 179.8354 115 I 3.6704 7.8962 118.1044 64.5768 37.0168 178.4429 116 F 5.0667 8.5460 122.0463 60.7537 39.2052 176.6927 117 K 3.9467 8.2490 118.7590 59.0063 32.0108 177.8022 118 E 4.5448 7.5033 117.0573 56.0938 30.3577 175.6173 119 N 4.8637 8.6900 117.8302 51.5858 40.7492 174.7379 120 K 4.2900 8.6818 126.0163 58.5253 32.8691 177.8223 121 R 4.6334 7.5568 116.7308 53.2035 30.3393 172.7583 122 P 4.2457 0.0000 0.0000 61.9001 32.4881 178.1004 123 S 4.3066 8.2654 115.8955 57.9586 65.0404 175.3862 124 K 3.8665 8.4068 122.4361 59.5660 31.9503 178.3350 125 E 3.8985 8.1547 118.3801 59.5055 29.3838 178.9605 126 L 3.9297 7.8892 119.9590 58.3404 42.2714 178.9513 127 Q 3.9928 8.2331 118.0762 59.0250 28.5567 178.9574 128 I 3.8142 8.1788 122.4010 64.2097 37.0947 178.6149 129 T 3.8655 8.0305 116.4871 66.6084 68.2521 176.7552 130 I 3.7262 8.0920 122.3783 64.4329 37.2105 178.6522 131 S 4.1805 8.5181 115.5152 61.4563 62.6667 176.6102 132 Q 4.0596 8.3288 121.7833 58.9039 28.3321 178.5883 133 Q 4.0920 8.3280 119.3178 58.2848 29.1580 177.1138 134 L 4.5336 7.9545 117.6574 53.4953 42.4946 176.6507 135 G 3.8611 7.7628 105.4569 46.5838 0.0000 173.3976 136 L 4.8925 7.7071 117.6965 51.9823 45.2252 177.1321 137 E 4.2849 8.3907 119.4836 55.8469 31.5243 177.9510 138 L 4.0313 8.5001 123.4651 58.3884 42.1499 179.4340 139 S 4.1434 8.1620 113.6900 62.0596 62.8385 176.5849 140 T 3.9555 7.9402 118.8035 66.2742 68.1291 176.7151 141 V 3.7773 7.7973 119.7857 66.0106 31.6010 177.9727 142 S 4.8324 8.8597 114.7003 61.1803 62.2120 175.9090 143 N 4.4084 8.7349 119.5525 56.1555 38.2493 177.1481 144 F 4.0154 8.2178 121.8508 61.4580 39.5310 177.3376 145 F 3.7831 8.1864 117.3849 60.1882 38.6323 177.4572 146 M 4.0045 8.1141 118.0810 58.9143 32.0559 178.1721 147 N 4.2655 8.4065 116.7540 55.8726 38.3991 177.3970 148 A 3.3073 7.6063 122.6196 54.9012 17.9437 179.9039 149 R 4.0906 7.3855 115.2906 59.4654 30.2166 179.0196 150 R 4.0731 7.6423 117.0803 58.6914 28.7445 177.8437 151 R 4.7434 8.1035 117.4828 55.3331 30.2081 178.3271 152 S 4.5039 7.7936 117.0029 60.7489 63.0194 174.6290 153 L 4.6435 7.5607 122.3549 55.9085 44.6553 175.1838 154 D 4.2036 8.1261 120.4366 53.1373 45.5660 175.9878 155 K 4.5412 9.2113 117.6763 56.6331 32.0444 173.7611 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 1 M 8.29 4.56 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.66 0.00 2 E 7.82 4.23 0.00 2.09 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 1.96 2.24 0.00 3 E 9.13 3.83 0.00 1.83 1.69 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 1.91 2.13 0.00 4 I 5.59 3.43 0.56 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 -0.18 0.52 0.00 0.00 5 N 7.75 4.42 0.00 2.54 2.51 0.00 0.00 6.96 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 6 T 8.12 3.71 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 7 K 7.99 3.99 0.00 1.88 1.97 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.57 7.81 8 E 8.68 3.92 0.00 2.04 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 2.37 2.34 0.00 9 V 8.12 3.79 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 1.39 0.00 0.00 1.07 0.00 0.00 10 A 8.31 4.09 1.61 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 11 Q 8.19 3.93 0.00 2.23 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 12 R 8.23 4.05 0.00 2.05 2.08 0.00 3.43 0.00 0.00 3.52 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 13 I 8.13 3.66 2.01 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.94 0.43 0.00 0.00 14 T 8.00 3.81 4.40 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 1.19 0.00 0.00 15 T 8.06 3.85 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 16 E 8.66 3.84 0.00 2.47 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 2.59 2.70 0.00 17 L 8.18 3.99 0.00 1.84 1.64 0.22 0.55 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 18 K 7.93 4.03 0.00 1.87 1.81 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.56 7.81 19 R 7.91 3.75 0.00 1.53 1.33 0.00 2.41 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.39 0.00 20 Y 7.46 4.80 0.00 3.12 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 21 S 7.46 3.69 0.00 4.07 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 22 I 8.04 4.31 1.94 0.00 0.00 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 1.51 0.80 1.00 0.00 0.00 23 P 0.00 4.44 0.00 2.27 2.19 0.00 3.75 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 24 Q 8.69 4.00 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 25 A 8.03 4.02 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 0.00 0.00 0.00 0.00 0.00 26 I 7.66 3.60 2.04 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 1.54 0.86 0.93 0.00 0.00 27 F 8.00 3.82 0.00 2.89 3.05 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 28 A 8.56 3.87 1.39 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 29 Q 7.93 3.92 0.00 2.26 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.60 2.35 0.00 30 R 7.79 3.82 0.00 1.73 1.95 0.00 3.29 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 31 V 7.41 3.68 0.67 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 0.30 0.00 0.00 0.39 0.00 0.00 32 L 7.25 4.33 0.00 1.63 1.56 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 33 C 7.81 4.19 0.00 3.05 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 7.94 4.68 0.00 1.66 1.77 0.00 3.29 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.62 0.00 35 S 8.11 4.55 0.00 4.03 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 36 Q 8.53 4.03 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 37 G 8.05 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 38 T 7.87 3.86 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 39 L 7.87 3.91 0.00 1.91 1.78 1.02 0.92 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 40 S 8.29 4.06 0.00 4.10 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 41 D 8.04 4.36 0.00 2.88 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 42 L 7.82 4.13 0.00 1.82 1.68 0.73 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.04 4.22 0.00 1.86 1.74 0.90 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.93 4.27 0.00 1.82 2.00 0.00 3.11 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 45 N 8.41 5.15 0.00 2.75 3.06 0.00 0.00 7.05 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.58 0.00 2.20 2.47 0.00 3.90 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 47 K 8.45 4.29 0.00 1.74 1.74 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.45 7.81 48 P 0.00 4.34 0.00 2.21 2.18 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 49 W 9.00 4.21 0.00 3.35 3.05 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 50 S 8.15 4.13 0.00 4.00 4.02 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 51 K 7.58 4.19 0.00 1.87 1.85 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.52 7.81 52 L 7.19 4.29 0.00 1.27 1.33 0.72 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.08 4.26 0.00 1.68 0.84 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.33 7.81 54 S 9.11 4.42 0.00 4.08 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 55 G 7.91 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 56 R 7.83 4.00 0.00 1.76 1.81 0.00 2.69 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.32 0.00 57 E 7.92 4.06 0.00 2.17 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 2.35 2.46 0.00 58 T 7.62 3.87 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 1.03 0.00 0.00 59 F 8.39 4.19 0.00 3.60 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.81 4.22 0.00 2.23 2.19 0.00 3.47 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.24 0.00 61 R 8.45 4.10 0.00 2.06 2.00 0.00 3.11 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.98 0.00 62 M 8.32 4.39 0.00 2.30 2.42 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.82 0.00 63 W 8.77 4.55 0.00 3.50 3.36 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 64 K 8.73 3.81 0.00 1.88 1.89 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.90 1.69 7.81 65 W 8.15 4.14 0.00 3.50 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.04 3.99 0.00 1.71 1.59 1.24 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 7.37 3.78 0.00 1.73 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.92 0.00 0.00 0.00 0.00 0.00 1.39 1.16 0.00 68 E 7.25 4.05 0.00 2.19 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 2.28 1.89 0.00 69 P 0.00 4.44 0.00 2.13 2.10 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 70 E 8.54 3.68 0.00 1.76 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 2.25 2.23 0.00 71 F 7.88 4.51 0.00 2.95 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 72 Q 8.02 3.97 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.73 2.45 0.00 73 R 7.52 4.32 0.00 1.65 1.30 0.00 2.21 0.00 0.00 2.30 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 1.26 0.00 74 M 8.12 4.30 0.00 2.05 2.24 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.50 0.00 75 S 8.21 4.12 0.00 3.98 4.11 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 76 A 8.35 4.26 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 77 L 7.72 4.25 0.00 2.04 1.79 1.25 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 78 R 7.82 4.68 0.00 1.87 1.93 0.00 3.01 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.56 0.00 79 L 7.48 4.56 0.00 1.70 1.67 1.03 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 *100 P 0.00 4.10 0.00 2.07 2.08 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.07 0.00 101 R 8.56 3.89 0.00 1.83 1.91 0.00 3.06 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 102 L 8.36 3.94 0.00 1.55 1.47 0.57 0.87 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 0.00 103 V 7.91 4.21 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 0.90 0.00 0.00 0.94 0.00 0.00 104 F 8.47 4.80 0.00 3.10 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 0.00 105 T 9.47 4.22 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 1.29 0.00 0.00 106 D 8.75 4.39 0.00 2.71 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 0.00 107 V 7.70 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 0.88 0.00 0.00 0.90 0.00 0.00 108 Q 7.95 3.75 0.00 2.21 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 109 R 7.97 3.52 0.00 2.00 2.07 0.00 3.12 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 110 R 7.83 3.91 0.00 1.87 1.94 0.00 3.17 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 111 T 7.84 3.79 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 112 L 7.79 3.46 0.00 0.77 0.13 0.35 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 113 H 7.97 4.33 0.00 3.27 3.46 0.00 5.83 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 0.00 114 A 8.27 4.06 1.39 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 0.00 115 I 7.90 3.67 2.22 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 1.47 0.99 1.18 0.00 0.00 116 F 8.55 5.07 0.00 3.26 3.43 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 0.00 117 K 8.25 3.95 0.00 1.85 2.09 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.47 7.81 118 E 7.50 4.54 0.00 1.82 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 2.47 2.45 0.00 119 N 8.69 4.86 0.00 2.64 2.70 0.00 0.00 7.18 6.63 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 0.00 120 K 8.68 4.29 0.00 1.80 1.92 0.00 1.03 0.00 0.00 0.70 0.00 0.00 2.53 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.25 1.26 7.81 121 R 7.56 4.63 0.00 1.73 1.82 0.00 3.19 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 122 P 0.00 4.25 0.00 1.83 1.70 0.00 3.40 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.44 0.00 123 S 8.27 4.31 0.00 4.04 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 0.00 124 K 8.41 3.87 0.00 1.83 1.83 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.53 7.81 125 E 8.15 3.90 0.00 2.07 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 2.39 2.43 0.00 126 L 7.89 3.93 0.00 1.73 1.75 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 8.23 3.99 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.17 2.42 0.00 128 I 8.18 3.81 2.05 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 1.54 1.23 0.92 0.00 0.00 129 T 8.03 3.87 4.38 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 1.21 0.00 0.00 130 I 8.09 3.73 2.11 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.08 0.95 0.00 0.00 131 S 8.52 4.18 0.00 4.26 4.17 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 0.00 132 Q 8.33 4.06 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 133 Q 8.33 4.09 0.00 2.07 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 134 L 7.95 4.53 0.00 1.72 1.64 0.76 0.70 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 0.00 135 G 7.76 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 0.00 136 L 7.71 4.89 0.00 1.67 1.64 0.94 0.87 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 0.00 137 E 8.39 4.28 0.00 2.05 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 2.42 2.38 0.00 138 L 8.50 4.03 0.00 1.78 1.70 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 139 S 8.16 4.14 0.00 4.12 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 0.00 140 T 7.94 3.96 4.52 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 1.45 0.00 0.00 141 V 7.80 3.78 2.36 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 1.29 0.00 0.00 1.04 0.00 0.00 142 S 8.86 4.83 0.00 4.07 4.09 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 0.00 143 N 8.73 4.41 0.00 3.02 2.90 0.00 0.00 6.69 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 0.00 144 F 8.22 4.02 0.00 3.17 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 0.00 145 F 8.19 3.78 0.00 3.20 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 0.00 146 M 8.11 4.00 0.00 2.26 2.08 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 147 N 8.41 4.27 0.00 2.57 2.69 0.00 0.00 6.99 6.86 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 0.00 148 A 7.61 3.31 -0.62 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 0.00 0.00 0.00 0.00 0.00 0.00 149 R 7.39 4.09 0.00 1.98 2.09 0.00 3.28 0.00 0.00 3.46 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 150 R 7.64 4.07 0.00 1.78 2.07 0.00 3.22 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 151 R 8.10 4.74 0.00 1.87 1.96 0.00 3.11 0.00 0.00 3.28 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.42 0.00 152 S 7.79 4.50 0.00 4.19 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 L 7.56 4.64 0.00 1.63 1.72 0.94 nan 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 0.00 154 D 8.13 4.20 0.00 3.05 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 0.00 155 K 9.21 4.54 0.00 2.01 2.08 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.42 1.46 7.81 * Residues marked with a * may have inaccurate shift predictions.