NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7069 8.2833 119.2051 53.4157 41.1886 176.4200 3 D 4.2203 8.0473 118.2904 56.9151 41.1365 176.8885 4 K 4.1421 8.7684 119.1656 58.4876 32.5149 179.2932 5 K 3.9810 7.8033 119.0510 59.6353 32.2039 179.2560 6 I 3.7726 7.4809 119.6248 63.9769 36.9119 178.2887 7 E 3.9290 7.9961 120.4951 59.1883 29.5560 178.5723 8 L 4.0068 7.7914 119.9504 58.2854 42.1744 178.9287 9 L 4.1811 8.1746 118.9189 58.0032 41.4721 179.7815 10 T 3.9702 8.0529 115.8838 66.8228 68.1968 177.0653 11 T 3.9734 7.7010 117.7458 66.3012 68.9485 175.7534 12 Y 4.2446 8.6943 121.6908 61.0809 38.7846 178.4664 13 L 4.3744 8.3619 119.9734 57.5829 41.4629 178.8573 14 S 4.6337 8.2126 111.8000 59.4588 62.9034 175.4381 15 L 4.3482 8.0598 122.7399 55.3718 41.6033 175.5265 16 Y 5.2264 7.5085 115.9358 56.2366 40.8708 174.9729 17 I 4.4462 8.4926 120.3964 58.9324 41.4571 174.1043 18 D 4.8024 8.6146 128.9370 54.2959 41.9038 176.7330 19 H 4.3842 9.0529 121.1785 59.2014 28.3644 177.5122 20 H 4.1069 8.6252 119.3325 59.1795 28.2932 177.8534 21 T 3.9064 7.4881 116.5571 66.2793 68.3193 176.6960 22 V 3.7589 7.5693 120.0361 65.5372 31.5015 177.6540 23 L 4.1201 8.2143 119.0837 58.3673 41.6690 178.6331 24 A 4.2043 8.4021 120.7653 54.6805 18.2331 177.6527 25 D 4.5469 7.7424 116.6349 55.0513 41.1363 177.8126 *27 Q 4.3784 8.0046 116.7318 55.0087 30.4945 175.6181 28 N 4.7908 7.6602 109.9743 51.7988 39.1583 174.1522 29 A 3.8657 7.9948 119.3816 53.4383 16.2320 178.8775 30 T 3.9778 7.8953 117.2334 65.6274 68.9474 175.5795 31 G 3.9547 7.8996 108.6725 46.3820 0.0000 174.3022 32 K 3.9915 8.2293 122.1579 57.4469 33.5212 175.9038 33 Y 5.1834 7.8290 115.3380 55.8891 41.4893 175.5403 34 V 4.2848 8.3594 121.6698 61.0749 34.7223 174.4711 35 V 4.4805 8.4465 128.2939 62.1308 32.9068 174.2671 36 L 4.9017 9.0194 129.4286 53.1761 43.5089 175.5084 37 D 3.3700 8.3393 125.1903 52.8808 41.4236 175.6681 38 V 4.1546 7.5391 119.7041 61.0834 32.7743 176.7329 39 R 4.4446 7.6165 119.4707 55.9674 30.5542 176.8075 40 N 4.4462 9.0595 118.9943 56.2924 39.1672 175.6363 41 A 4.0231 7.9211 118.8606 50.5567 19.7025 175.4020 42 P 4.4560 0.0000 0.0000 62.1508 32.5957 177.2291 43 A 4.0920 8.7519 121.6838 55.6280 17.8049 180.1060 44 Q 3.8977 8.1182 114.6536 58.6942 28.7895 177.9433 45 V 4.0981 8.1737 119.8475 64.0006 33.0999 176.6047 46 K 4.7120 8.0653 117.0188 60.9988 32.1857 179.5456 47 K 4.7580 6.9847 122.5814 56.9394 33.0437 175.8282 48 D 5.2697 7.5785 115.3128 51.5267 42.6301 174.4300 49 Q 4.6577 8.5976 115.6036 54.1296 32.7576 174.2645 50 I 3.8230 8.2999 121.2060 61.3216 38.2453 175.6606 51 K 4.0832 7.7729 126.9356 57.7926 32.1594 176.9495 52 G 3.9138 8.9866 114.8388 44.8854 0.0000 173.0666 53 A 4.5202 7.8182 121.2510 52.0433 19.6812 177.0079 54 I 4.5319 8.3123 119.3402 59.1764 40.1143 175.9029 55 A 4.2445 8.5305 128.4941 51.2649 19.6097 174.8539 *57 P 4.1113 0.0000 0.0000 61.9648 32.7267 178.0064 58 A 4.0422 8.3218 125.6574 55.1414 18.3777 179.4589 59 K 4.0983 7.8885 113.1840 58.5159 32.9899 177.1581 60 D 4.8215 8.3378 118.5349 53.3135 42.9102 177.3155 61 L 3.7854 7.5578 120.9961 58.1449 41.7290 178.4542 62 A 4.0547 7.8952 118.3657 54.1674 18.3819 178.4755 63 T 4.2870 7.4540 112.6987 65.2845 70.0388 176.2628 64 R 4.2575 7.8694 117.6091 56.3817 30.2999 177.9846 65 I 3.5311 7.4979 120.9479 63.9667 37.5769 177.7040 66 G 3.7652 8.0162 107.1314 47.9110 0.0000 174.1692 67 E 4.1462 8.2690 118.9076 58.0731 29.8316 177.2155 68 L 4.3388 7.6001 118.5489 54.0113 42.7058 175.7467 69 D 4.8984 9.0739 121.3476 52.1822 41.5232 175.7430 70 P 4.4312 0.0000 0.0000 63.2029 30.5470 176.6870 71 A 4.5841 8.3165 121.8949 52.4746 20.6908 177.5206 72 K 4.4976 7.9248 114.1976 55.4646 34.4461 176.0507 73 T 4.8021 7.9826 118.3315 62.7178 70.7659 173.4913 74 Y 5.0393 9.2474 123.6810 56.3013 40.6931 174.8258 75 V 4.8443 8.8835 124.8144 61.5356 33.3940 174.9794 76 V 5.2685 8.8076 122.0719 60.0108 34.0670 174.8624 77 Y 5.0582 7.5983 118.6651 56.3361 41.0271 172.8095 78 D 5.0386 8.5504 119.8341 52.2373 45.2645 175.5142 79 W 4.4349 9.1246 117.9625 59.8684 29.4704 176.5133 80 T 4.9313 8.0877 109.8188 60.0863 70.0561 173.2660 81 G 3.9456 8.7155 110.5598 46.6480 0.0000 174.2978 82 G 4.0358 7.6085 111.1704 44.9425 0.0000 172.3934 83 T 4.7524 7.4120 107.1158 59.6794 72.5287 174.4092 84 T 4.4326 8.2564 109.9705 61.8650 69.2753 176.3678 85 L 4.0632 7.8486 123.1156 58.0960 41.6622 179.2492 86 G 3.5761 8.0283 105.1078 47.7880 0.0000 175.7895 87 K 3.9170 7.9152 120.5065 59.1789 31.9917 179.2298 88 T 3.7731 8.2303 116.2769 66.6926 68.4522 176.2366 89 A 3.8937 7.9436 122.2161 55.1858 18.3629 179.3121 90 L 3.7837 8.1050 119.1497 58.2682 42.0772 178.9774 91 L 3.8775 8.3437 120.6551 57.8819 41.9263 179.2059 92 V 3.4879 7.4800 118.3483 65.9576 31.4649 177.9346 93 L 3.8827 7.8038 118.6292 57.9705 41.6055 179.7025 94 L 4.2908 8.0433 120.2758 57.3178 41.2615 179.8139 95 S 4.1776 7.8955 114.3442 61.3232 62.8621 175.8763 96 A 4.3454 7.9584 119.8528 52.4581 18.0234 178.2190 97 G 3.8079 7.8178 106.1127 45.5921 0.0000 174.2320 98 F 4.4262 8.4170 118.9401 57.0281 40.9200 174.1554 99 E 4.8197 8.9808 121.6634 54.8866 30.9859 174.5287 100 A 5.2505 8.0396 127.2497 51.4181 23.2075 173.3863 101 Y 4.7444 9.0853 115.7308 57.3639 43.5562 173.5227 102 E 4.8797 8.7584 121.6939 54.1498 32.1463 174.5701 103 L 4.4851 8.9694 129.2619 54.7558 43.0105 176.1355 104 A 4.3495 8.6824 130.7126 54.0514 18.9820 176.6992 105 G 3.9543 8.9790 110.3259 43.7604 0.0000 174.4480 106 A 4.0435 8.1278 121.9822 52.0132 18.5219 176.7817 107 L 3.6783 8.0626 114.3425 58.5626 42.0593 179.7734 108 E 4.1344 8.3114 118.7763 59.7421 29.2510 179.8322 109 G 3.6308 8.0709 104.0249 47.4508 0.0000 175.2415 110 W 4.1215 8.1657 130.8649 60.2867 30.5891 178.3810 111 K 4.2550 8.6304 117.3639 58.7719 31.5847 179.3968 112 G 3.8332 7.9472 106.1773 44.8207 0.0000 174.2704 *114 Q 4.1832 7.8790 117.0719 54.7666 30.4820 175.8746 115 L 3.7477 6.9936 117.9582 53.3116 42.1765 174.9755 116 P 4.4576 0.0000 0.0000 63.8645 31.7863 175.3514 117 V 5.1293 8.5162 123.5527 59.5730 34.7453 174.4933 118 E 4.7759 9.0304 121.4008 54.5635 32.1316 175.2837 119 T 4.3115 8.6948 118.5116 61.7661 68.5296 174.0097 120 L 4.3372 8.0469 126.9877 55.8582 40.5664 176.1462 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 N 8.28 4.71 0.00 2.74 2.88 0.00 0.00 7.10 7.61 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 3 D 8.05 4.22 0.00 2.89 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 4 K 8.77 4.14 0.00 1.80 1.86 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.53 7.81 5 K 7.80 3.98 0.00 2.00 1.84 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.52 7.81 6 I 7.48 3.77 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.88 0.93 0.00 0.00 7 E 8.00 3.93 0.00 2.16 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 2.34 0.00 8 L 7.79 4.01 0.00 1.86 1.75 1.02 0.45 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 9 L 8.17 4.18 0.00 1.94 1.74 0.92 0.55 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 10 T 8.05 3.97 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 1.26 0.00 0.00 11 T 7.70 3.97 4.34 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 1.26 0.00 0.00 12 Y 8.69 4.24 0.00 3.19 3.06 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 13 L 8.36 4.37 0.00 1.98 1.82 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.21 4.63 0.00 4.19 4.32 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 15 L 8.06 4.35 0.00 1.47 1.36 0.63 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.51 5.23 0.00 2.94 2.92 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 17 I 8.49 4.45 1.37 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.04 0.83 0.00 0.00 18 D 8.61 4.80 0.00 2.74 2.46 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 19 H 9.05 4.38 0.00 3.83 3.77 0.00 5.71 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 H 8.63 4.11 0.00 3.24 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.49 3.91 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 22 V 7.57 3.76 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 1.05 0.00 0.00 0.67 0.00 0.00 23 L 8.21 4.12 0.00 1.95 1.81 0.79 1.41 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 24 A 8.40 4.20 1.44 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 0.00 0.00 25 D 7.74 4.55 0.00 3.03 3.06 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 *27 Q 8.00 4.38 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.02 6.87 0.00 0.00 0.00 0.00 0.00 2.30 2.65 0.00 28 N 7.66 4.79 0.00 2.73 2.81 0.00 0.00 7.10 7.23 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 29 A 7.99 3.87 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 30 T 7.90 3.98 4.47 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 1.19 0.00 0.00 31 G 7.90 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 32 K 8.23 3.99 0.00 1.62 1.19 0.00 1.38 0.00 0.00 1.29 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.54 1.08 7.81 33 Y 7.83 5.18 0.00 2.88 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 34 V 8.36 4.28 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 1.07 0.00 0.00 0.67 0.00 0.00 35 V 8.45 4.48 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 1.04 0.00 0.00 0.84 0.00 0.00 36 L 9.02 4.90 0.00 1.49 1.41 0.66 0.79 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 37 D 8.34 3.37 0.00 2.34 2.31 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 38 V 7.54 4.15 1.94 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 0.69 0.00 0.00 0.84 0.00 0.00 39 R 7.62 4.44 0.00 1.72 1.77 0.00 2.21 0.00 0.00 2.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.21 0.00 40 N 9.06 4.45 0.00 2.77 2.89 0.00 0.00 6.90 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 41 A 7.92 4.02 1.50 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 0.00 0.00 42 P 0.00 4.46 0.00 2.26 2.21 0.00 3.79 0.00 0.00 3.81 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 43 A 8.75 4.09 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 44 Q 8.12 3.90 0.00 2.25 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 45 V 8.17 4.10 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 0.99 0.00 0.00 0.98 0.00 0.00 46 K 8.07 4.71 0.00 1.89 1.92 0.00 1.30 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.69 1.42 7.81 47 K 6.98 4.76 0.00 2.02 1.91 0.00 1.71 0.00 0.00 2.09 0.00 0.00 3.07 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.59 1.61 7.81 48 D 7.58 5.27 0.00 2.66 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 49 Q 8.60 4.66 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.98 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 50 I 8.30 3.82 1.61 0.00 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 -0.19 0.24 0.00 0.00 51 K 7.77 4.08 0.00 1.82 1.87 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.67 7.81 52 G 8.99 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 0.00 0.00 0.00 53 A 7.82 4.52 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 54 I 8.31 4.53 1.86 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 1.17 1.06 0.88 0.00 0.00 55 A 8.53 4.24 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 *57 P 0.00 4.11 0.00 2.31 1.98 0.00 3.55 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.12 0.00 58 A 8.32 4.04 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 59 K 7.89 4.10 0.00 1.81 1.93 0.00 1.54 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.38 7.81 60 D 8.34 4.82 0.00 2.58 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 61 L 7.56 3.79 0.00 1.87 1.56 0.65 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.90 4.05 1.26 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 0.00 0.00 63 T 7.45 4.29 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 1.19 0.00 0.00 64 R 7.87 4.26 0.00 1.77 2.04 0.00 3.10 0.00 0.00 3.03 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 65 I 7.50 3.53 1.94 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 1.50 0.91 0.95 0.00 0.00 66 G 8.02 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 67 E 8.27 4.15 0.00 1.92 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 2.33 2.50 0.00 68 L 7.60 4.34 0.00 1.49 1.26 -0.08 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 69 D 9.07 4.90 0.00 2.85 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 70 P 0.00 4.43 0.00 1.87 1.38 0.00 3.82 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 1.91 1.82 0.00 71 A 8.32 4.58 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 72 K 7.92 4.50 0.00 1.22 1.51 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.61 1.36 7.81 73 T 7.98 4.80 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 74 Y 9.25 5.04 0.00 2.84 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 75 V 8.88 4.84 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 0.95 0.00 0.00 0.89 0.00 0.00 76 V 8.81 5.27 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 0.42 0.00 0.00 0.88 0.00 0.00 77 Y 7.60 5.06 0.00 2.92 2.92 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 78 D 8.55 5.04 0.00 2.81 2.65 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 79 W 9.12 4.43 0.00 3.39 3.30 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 80 T 8.09 4.93 4.37 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 1.35 0.00 0.00 81 G 8.72 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 82 G 7.61 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 0.00 0.00 0.00 83 T 7.41 4.75 4.31 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 1.30 0.00 0.00 84 T 8.26 4.43 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 1.25 0.00 0.00 85 L 7.85 4.06 0.00 1.79 1.76 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.03 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 0.00 0.00 0.00 87 K 7.92 3.92 0.00 1.93 1.81 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.38 1.44 7.81 88 T 8.23 3.77 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 1.18 0.00 0.00 89 A 7.94 3.89 1.26 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 0.00 0.00 90 L 8.10 3.78 0.00 1.84 1.72 0.76 0.25 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 91 L 8.34 3.88 0.00 1.80 1.77 0.90 0.85 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 92 V 7.48 3.49 2.15 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 0.91 0.00 0.00 0.93 0.00 0.00 93 L 7.80 3.88 0.00 1.62 1.60 0.71 -0.41 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 94 L 8.04 4.29 0.00 1.64 1.68 0.82 0.75 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 95 S 7.90 4.18 0.00 4.03 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 96 A 7.96 4.35 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 97 G 7.82 3.81 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 0.00 0.00 0.00 98 F 8.42 4.43 0.00 3.08 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 99 E 8.98 4.82 0.00 2.14 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 2.40 2.40 0.00 100 A 8.04 5.25 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 0.00 101 Y 9.09 4.74 0.00 2.82 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 0.00 102 E 8.76 4.88 0.00 1.56 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 0.00 0.00 0.00 2.22 2.12 0.00 103 L 8.97 4.49 0.00 1.79 1.60 0.95 0.69 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 0.00 104 A 8.68 4.35 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 0.00 105 G 8.98 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 0.00 106 A 8.13 4.04 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 0.00 107 L 8.06 3.68 0.00 1.58 1.85 0.67 0.79 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 0.00 108 E 8.31 4.13 0.00 2.16 2.08 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 2.46 2.52 0.00 109 G 8.07 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 0.00 110 W 8.17 4.12 0.00 3.43 3.08 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 0.00 111 K 8.63 4.26 0.00 1.77 1.90 0.00 1.82 0.00 0.00 1.89 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.60 1.64 7.81 112 G 7.95 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 *114 Q 7.88 4.18 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.58 6.97 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 115 L 6.99 3.75 0.00 0.27 0.13 0.52 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 116 P 0.00 4.46 0.00 2.24 2.28 0.00 3.31 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 2.31 2.05 0.00 117 V 8.52 5.13 2.25 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 0.84 0.00 0.00 1.11 0.00 0.00 118 E 9.03 4.78 0.00 2.04 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 2.34 2.23 0.00 119 T 8.69 4.31 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 1.23 0.00 0.00 120 L 8.05 4.34 0.00 1.72 1.60 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.