NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7590 8.2085 109.7396 45.3191 0.0000 172.4398 *20 A 4.2873 8.3267 120.7079 51.4741 19.7251 177.4142 21 S 4.3912 8.2910 115.5511 57.8895 65.1617 175.5013 22 L 3.9505 8.4826 122.2553 58.3073 41.3878 180.1304 23 K 4.0571 8.0340 117.5152 59.4834 32.0215 179.1087 24 D 4.3600 8.1956 119.2380 57.3572 40.7845 178.5586 25 F 3.9839 8.8610 121.5290 61.1114 39.1512 176.6165 26 E 4.0100 8.2673 117.9930 59.3046 29.5238 178.0912 27 L 4.0794 7.7788 118.8772 58.4507 42.3331 178.7438 28 S 4.2339 7.9509 114.8577 61.4073 62.7491 177.6960 29 K 4.0317 7.7682 118.3125 56.9835 31.6626 178.8358 *31 L 4.2655 7.9144 121.6655 54.9134 43.7329 179.1216 32 E 4.0334 8.4745 118.4642 59.1859 29.2474 179.5723 33 K 3.9098 7.8747 118.0355 59.4376 32.1184 179.4367 34 V 3.7066 7.9775 118.9925 65.3641 31.4934 177.5127 35 A 3.8438 8.3536 120.7619 55.1373 17.9568 179.7856 36 K 3.9081 8.0742 116.1370 59.5787 32.5305 179.1340 37 E 4.0924 8.0355 117.8558 59.6814 29.3100 179.3010 38 S 4.2247 7.9430 114.8011 60.6094 63.0539 176.0592 39 S 4.5865 8.0926 117.1609 58.7039 62.7692 174.3391 40 V 3.7422 6.8732 122.6346 64.3468 31.4915 176.2573 41 G 3.9985 9.0848 115.5740 45.3164 0.0000 172.9977 42 T 4.7396 7.5804 109.9263 59.5643 70.5464 173.2119 43 P 5.3850 0.0000 0.0000 62.8026 32.2887 175.5564 44 R 4.8108 8.3022 116.5834 54.5643 33.2940 173.8354 45 A 4.5695 8.4989 123.9244 52.1600 19.2478 177.9101 46 I 3.9738 8.7633 125.6475 63.8867 37.8111 175.4290 47 N 4.8782 7.5125 114.7592 51.8922 39.4447 174.0941 48 E 4.0338 8.8327 116.4869 59.3125 29.6838 177.7229 49 D 4.6826 8.5500 117.4421 54.1867 42.4389 175.7870 50 I 5.0548 7.5634 118.9274 59.3361 40.5373 174.4669 51 L 4.9634 8.6534 127.1283 53.0016 44.0171 175.2486 52 D 4.6938 9.1792 125.0346 54.2057 41.8176 176.0692 53 Q 4.2777 9.0562 125.1711 55.8052 29.5804 177.3641 54 G 3.8781 8.7350 107.7492 44.2627 0.0000 171.8315 55 Y 5.9104 8.6453 115.7889 55.4529 41.8742 174.9811 56 T 4.8555 8.4642 111.1563 60.0648 73.3243 172.2345 57 V 4.8538 8.2736 120.3526 61.1477 34.6157 174.6535 58 E 4.4757 8.7489 126.4458 55.1273 32.5731 176.8498 59 G 3.7684 8.2088 116.4112 46.9990 0.0000 173.0104 60 N 4.6482 8.8309 123.3395 52.4626 37.7493 173.3952 61 Q 4.9535 8.0096 119.7446 54.5848 30.8995 174.2771 62 L 4.7541 8.7794 127.4765 54.0884 43.6450 175.0661 63 I 4.6222 8.7878 128.2325 59.4731 39.7948 174.0931 64 N 4.3631 8.3936 126.7184 52.1963 40.4069 173.1552 65 H 5.0282 8.6180 124.1671 54.5352 30.8649 174.3661 66 L 5.2742 8.7073 122.4541 52.9580 46.1205 175.6321 67 S 5.4041 8.8407 116.8830 56.9387 66.0731 173.1367 68 V 5.0462 8.7181 120.8993 61.1530 34.7405 175.2578 69 R 4.4577 9.0436 126.5763 56.0584 31.1407 177.5595 70 A 4.0130 8.9871 123.3533 55.8286 18.3429 180.5393 71 S 4.0640 7.9959 112.8670 62.0840 62.8131 176.3189 72 H 4.2314 8.1865 119.0565 58.9813 29.7274 176.5007 73 A 4.0690 8.1973 122.4715 55.2383 18.4613 179.1487 74 E 4.1046 8.1356 116.8444 59.4188 29.0928 180.6158 75 R 3.7588 7.5691 115.0551 56.8920 29.8223 178.7784 *77 R 4.0220 7.9978 120.0977 56.2161 31.9873 177.3006 78 S 4.2724 7.9472 111.4520 60.5851 63.7837 174.4694 79 N 5.0031 7.5445 119.5952 50.6901 39.3720 172.6623 80 P 4.3006 0.0000 0.0000 65.5206 31.9117 178.4676 81 D 4.3229 7.9992 118.5192 57.1839 40.7815 178.4152 82 S 4.0523 8.3978 113.7543 61.1859 62.3479 176.1178 83 V 3.5108 7.6947 121.0402 66.1820 31.2386 177.9824 84 R 4.0515 8.1864 118.3190 59.5348 29.8951 178.3871 85 S 4.1898 8.3408 113.0476 61.4821 62.5238 176.2102 86 Q 3.9507 8.2633 120.7650 58.8548 28.3878 178.5283 87 L 3.8608 8.1600 120.2859 57.6964 41.6833 179.7891 88 G 3.1994 8.4995 105.7203 47.7846 0.0000 175.1795 89 D 4.3583 8.1201 121.7421 57.0905 40.6296 179.0786 90 S 4.1073 7.5414 111.5487 61.3357 62.7979 175.9272 91 V 3.9648 7.7925 121.1313 66.4444 31.1219 177.3523 92 C 4.4743 8.4767 114.4570 58.8626 40.1873 174.5103 93 S 4.4626 7.4690 111.3216 57.8362 63.1425 173.8318 94 N 4.5387 8.0206 121.3445 53.0588 39.4231 175.3598 95 T 3.9410 8.4761 125.4761 66.7927 68.5210 176.7592 96 G 3.5596 7.9352 107.0484 48.0131 0.0000 175.2564 97 Y 4.4784 8.2473 119.2399 60.9521 37.7746 178.6811 98 R 3.9828 8.4921 119.4457 59.4534 29.9196 179.0783 99 Q 4.0189 7.7718 116.6851 58.8413 28.9813 178.6610 100 L 4.1614 7.6989 119.9751 57.8888 41.7385 179.4925 101 L 4.2183 8.2871 118.9244 57.7151 41.3538 179.1116 102 A 4.2608 8.3007 119.2562 53.6976 18.3527 178.5731 103 R 4.5411 7.8898 115.0522 55.5572 30.8535 176.6384 104 G 3.9441 8.0228 107.0710 44.8950 0.0000 173.8534 105 A 4.5570 7.5728 120.5387 51.4419 19.9633 177.1560 106 I 4.6692 8.7243 119.9535 59.5142 40.5079 174.9682 107 L 4.7088 8.8284 127.0755 53.9522 43.2550 175.7149 108 T 5.0008 8.6604 120.7592 61.8763 71.9604 172.4887 109 Y 4.4645 9.2547 124.3758 56.2310 40.4097 174.6404 110 S 4.8429 8.7140 120.1998 56.6899 64.6049 172.3598 111 F 5.4401 9.3433 127.5528 56.2119 40.8913 175.4881 112 T 5.2432 8.8547 112.7522 59.5152 72.8026 173.0019 113 E 4.5727 9.1737 122.5482 56.7087 30.1876 177.3910 114 Y 4.1453 8.9763 126.3645 61.1603 38.5486 177.9554 115 K 3.9500 8.3666 117.0016 58.5166 32.4117 177.8338 116 T 4.2940 7.6504 105.7345 60.2845 70.3730 174.1162 117 N 4.2754 8.4103 118.7059 54.1327 38.3731 173.7056 118 Q 4.2575 7.7453 115.8083 55.2122 29.8723 174.1910 119 P 4.6831 0.0000 0.0000 63.4796 31.7048 175.3291 120 V 4.3212 8.8361 122.2830 63.9912 32.9622 175.4335 121 A 4.8165 7.7426 120.2218 51.0246 22.8007 174.6316 122 T 5.1273 8.4959 116.1311 62.0294 72.2834 173.3485 123 E 4.5988 9.5934 126.0733 54.6228 33.0262 175.0676 124 R 5.1208 8.3462 123.1614 54.4090 33.0154 175.6161 125 F 4.9584 9.2372 120.6968 55.8601 43.3863 173.6735 126 D 5.4836 8.9500 121.6497 50.8841 42.7759 176.2400 127 A 4.1342 8.9805 119.1838 55.6001 17.8101 179.7167 128 G 3.6833 8.1825 102.2485 48.3119 0.0000 175.2569 129 S 4.3769 8.1778 116.4626 61.8096 62.9754 176.1301 130 C 4.5440 7.9253 118.0230 59.6742 40.0213 174.0169 131 R 4.1321 7.7309 123.2554 56.4402 29.6340 176.2299 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 0 G 8.21 3.76 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 0.00 0.00 0.00 *20 A 8.33 4.29 1.41 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 0.00 0.00 21 S 8.29 4.39 0.00 4.08 4.04 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 22 L 8.48 3.95 0.00 1.72 1.79 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.03 4.06 0.00 1.82 1.88 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.55 7.81 24 D 8.20 4.36 0.00 2.97 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 25 F 8.86 3.98 0.00 3.12 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 26 E 8.27 4.01 0.00 2.22 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 0.00 2.36 2.38 0.00 27 L 7.78 4.08 0.00 1.67 1.85 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.95 4.23 0.00 3.71 3.67 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 29 K 7.77 4.03 0.00 1.93 1.81 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.25 1.74 7.81 *31 L 7.91 4.27 0.00 1.84 1.70 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.47 4.03 0.00 2.10 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 2.41 0.00 33 K 7.87 3.91 0.00 1.79 1.83 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.59 7.81 34 V 7.98 3.71 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 1.16 0.00 0.00 0.91 0.00 0.00 35 A 8.35 3.84 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 36 K 8.07 3.91 0.00 1.85 1.88 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.55 7.81 37 E 8.04 4.09 0.00 2.18 2.18 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 2.52 2.27 0.00 38 S 7.94 4.22 0.00 3.11 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.09 4.59 0.00 3.97 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 40 V 6.87 3.74 2.18 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 0.74 0.00 0.00 1.00 0.00 0.00 41 G 9.08 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 42 T 7.58 4.74 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 1.29 0.00 0.00 43 P 0.00 5.38 0.00 2.13 2.12 0.00 3.37 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.83 0.00 44 R 8.30 4.81 0.00 1.86 2.17 0.00 2.99 0.00 0.00 3.37 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 45 A 8.50 4.57 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 46 I 8.76 3.97 2.02 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 1.39 0.91 0.95 0.00 0.00 47 N 7.51 4.88 0.00 2.86 2.89 0.00 0.00 6.21 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 48 E 8.83 4.03 0.00 1.93 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 2.29 2.26 0.00 49 D 8.55 4.68 0.00 2.70 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 50 I 7.56 5.05 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.93 1.11 0.00 0.00 51 L 8.65 4.96 0.00 1.65 1.60 1.05 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 52 D 9.18 4.69 0.00 2.73 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 53 Q 9.06 4.28 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.13 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 54 G 8.74 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 55 Y 8.65 5.91 0.00 2.90 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 56 T 8.46 4.86 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 57 V 8.27 4.85 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 0.78 0.00 0.00 0.90 0.00 0.00 58 E 8.75 4.48 0.00 1.96 1.79 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 2.19 2.34 0.00 59 G 8.21 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 60 N 8.83 4.65 0.00 2.86 3.03 0.00 0.00 5.87 7.44 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 61 Q 8.01 4.95 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 62 L 8.78 4.75 0.00 1.67 1.41 1.00 0.74 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 63 I 8.79 4.62 1.71 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.47 0.49 0.00 0.00 64 N 8.39 4.36 0.00 2.15 1.95 0.00 0.00 6.72 8.40 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 65 H 8.62 5.03 0.00 2.97 3.21 0.00 5.61 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.71 5.27 0.00 1.03 1.52 0.48 0.89 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 67 S 8.84 5.40 0.00 4.12 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 68 V 8.72 5.05 2.19 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 1.15 0.00 0.00 1.18 0.00 0.00 69 R 9.04 4.46 0.00 1.79 1.85 0.00 3.21 0.00 0.00 3.07 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 70 A 8.99 4.01 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 71 S 8.00 4.06 0.00 3.89 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 H 8.19 4.23 0.00 3.22 3.34 0.00 5.94 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 A 8.20 4.07 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 74 E 8.14 4.10 0.00 2.19 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 2.47 2.49 0.00 75 R 7.57 3.76 0.00 1.92 1.89 0.00 3.16 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 *77 R 8.00 4.02 0.00 1.93 2.01 0.00 3.39 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.78 0.00 78 S 7.95 4.27 0.00 3.97 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 79 N 7.54 5.00 0.00 2.64 2.64 0.00 0.00 6.77 7.59 0.00 0.00 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 P 0.00 4.30 0.00 2.28 2.26 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 81 D 8.00 4.32 0.00 2.71 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 82 S 8.40 4.05 0.00 3.93 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 83 V 7.69 3.51 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 0.85 0.00 0.00 0.79 0.00 0.00 84 R 8.19 4.05 0.00 2.10 2.11 0.00 3.23 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.78 0.00 85 S 8.34 4.19 0.00 4.03 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 86 Q 8.26 3.95 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 87 L 8.16 3.86 0.00 1.98 1.48 1.12 0.46 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 88 G 8.50 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.12 4.36 0.00 2.84 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 90 S 7.54 4.11 0.00 3.84 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 91 V 7.79 3.96 1.62 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 1.00 0.00 0.00 nan 0.00 0.00 92 C 8.48 4.47 0.00 3.01 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 93 S 7.47 4.46 0.00 4.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.02 4.54 0.00 2.90 2.88 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 95 T 8.48 3.94 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 1.19 0.00 0.00 96 G 7.94 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 8.25 4.48 0.00 2.98 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 98 R 8.49 3.98 0.00 2.05 2.01 0.00 3.30 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 99 Q 7.77 4.02 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 100 L 7.70 4.16 0.00 1.85 1.72 0.96 0.59 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 0.00 101 L 8.29 4.22 0.00 1.77 1.77 1.03 1.29 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 0.00 102 A 8.30 4.26 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 0.00 103 R 7.89 4.54 0.00 1.91 1.94 0.00 3.25 0.00 0.00 3.23 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 104 G 8.02 3.94 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 0.00 0.00 0.00 105 A 7.57 4.56 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 0.00 106 I 8.72 4.67 1.85 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 1.23 0.84 0.93 0.00 0.00 107 L 8.83 4.71 0.00 1.56 1.58 0.24 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 108 T 8.66 5.00 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 1.14 0.00 0.00 109 Y 9.25 4.46 0.00 3.17 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 8.71 4.84 0.00 3.77 3.54 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 0.00 111 F 9.34 5.44 0.00 3.28 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 0.00 112 T 8.85 5.24 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 1.26 0.00 0.00 113 E 9.17 4.57 0.00 1.95 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 2.38 2.48 0.00 114 Y 8.98 4.15 0.00 2.95 3.07 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 0.00 115 K 8.37 3.95 0.00 1.80 1.82 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.15 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.59 1.44 7.81 116 T 7.65 4.29 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 117 N 8.41 4.28 0.00 2.83 2.92 0.00 0.00 7.19 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 0.00 118 Q 7.75 4.26 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.46 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 119 P 0.00 4.68 0.00 1.96 2.02 0.00 3.65 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 120 V 8.84 4.32 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 0.70 0.00 0.00 0.98 0.00 0.00 121 A 7.74 4.82 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 0.00 122 T 8.50 5.13 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 1.25 0.00 0.00 123 E 9.59 4.60 0.00 2.15 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 2.35 2.54 0.00 124 R 8.35 5.12 0.00 1.52 1.73 0.00 3.10 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 125 F 9.24 4.96 0.00 3.06 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 0.00 126 D 8.95 5.48 0.00 2.78 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 0.00 127 A 8.98 4.13 1.37 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 0.00 128 G 8.18 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 0.00 0.00 0.00 129 S 8.18 4.38 0.00 4.23 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 0.00 130 C 7.93 4.54 0.00 3.08 3.19 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 0.00 131 R 7.73 4.13 0.00 1.95 1.87 0.00 3.21 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 * Residues marked with a * may have inaccurate shift predictions.