NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.2654 8.1844 120.9911 54.7054 42.0431 175.6837 3 K 3.6750 8.2719 120.3815 56.8605 33.0614 173.3151 4 Q 5.0467 8.9971 126.2383 54.6551 30.8942 174.6998 5 V 4.8288 8.6705 122.6870 61.3479 35.9820 173.3786 6 E 4.9933 9.2764 124.9098 54.5244 32.8380 175.0405 7 I 5.0523 8.1547 123.9325 59.4453 41.1025 174.3800 8 F 5.4264 9.2527 124.9526 55.9462 42.0527 174.4695 9 T 5.3125 8.6492 112.1987 60.6588 71.7251 172.5382 10 D 4.6763 8.6741 119.1684 53.7180 45.2127 174.5853 11 G 4.5440 8.8250 110.5321 44.7491 0.0000 171.6804 12 S 5.6290 9.0688 115.0481 56.6777 66.9023 172.4299 13 C 5.0684 8.3708 120.1468 58.1633 34.2178 173.8312 14 L 4.3725 9.2757 124.5419 55.8086 42.1148 176.9070 15 G 4.0168 7.3636 105.9515 45.7142 0.0000 172.4707 16 N 4.9860 8.2226 112.0637 52.5815 39.8211 173.4724 17 P 4.6159 0.0000 0.0000 61.5510 33.9121 175.3841 18 G 3.9848 8.2638 105.7459 45.3836 0.0000 170.6290 19 P 4.9262 0.0000 0.0000 62.5307 32.5160 176.3868 20 G 4.4399 9.1426 110.2500 45.6363 0.0000 170.9115 21 G 4.7035 9.0243 106.2930 45.7137 0.0000 171.8028 22 Y 5.5639 8.3679 117.4554 55.2064 42.2000 174.7037 23 G 4.7102 9.4625 106.3582 44.9891 0.0000 171.5343 24 A 5.5126 9.6120 124.4116 50.5425 23.5766 175.0555 25 I 5.1265 9.1375 120.1623 59.4890 41.3850 174.2092 26 L 5.1653 9.5135 129.4523 53.3225 44.3928 174.7846 27 R 5.2692 9.4915 127.1281 54.7215 33.2932 173.6089 28 Y 4.9380 9.0375 127.0061 56.1584 41.9137 175.4942 29 R 3.4189 9.4215 127.7469 57.1338 27.7520 177.1743 30 G 3.9562 8.1425 105.2209 45.3747 0.0000 173.7317 31 R 4.1961 8.1207 121.3440 55.7356 30.7769 174.4988 32 E 5.2600 8.6507 124.1343 54.4006 32.3831 175.0418 33 K 4.4706 9.3606 125.2859 54.8700 34.8831 174.7091 34 T 5.0544 8.1581 123.3670 61.9049 71.0531 173.8368 35 F 5.1635 9.0898 123.2819 56.0518 43.3037 173.9753 36 S 4.9592 8.9818 113.8850 58.7003 65.3618 174.2454 37 A 4.3340 7.0711 121.2632 50.9093 22.5565 175.1682 38 G 4.3675 8.2905 106.8132 44.5278 0.0000 171.5441 39 Y 5.3763 9.1643 121.0813 55.9345 40.9211 176.9833 40 T 3.9089 9.0395 114.2133 64.4948 70.1666 173.9154 41 R 4.6119 7.8929 122.1899 55.4583 32.4825 173.4958 42 T 4.0586 8.5708 123.4041 61.4846 71.0244 172.1727 43 T 4.7990 7.9021 108.4335 58.9745 72.3821 174.0497 44 N 4.2306 8.6417 119.9692 56.8941 38.9647 176.6081 45 N 4.0444 7.8570 117.2322 56.4311 38.5370 177.4360 46 R 3.8383 7.6241 118.8535 59.4559 30.0212 179.0896 47 M 4.0699 7.9639 118.2057 58.2239 32.0111 178.5571 48 A 4.0466 8.0522 120.9633 55.2488 18.4914 179.7751 49 L 3.9077 7.7767 117.1850 58.0228 41.5968 179.2817 50 M 3.7201 8.2838 118.3702 58.3497 32.0660 178.0482 51 A 3.5862 8.0157 120.8295 55.0771 18.6134 179.5479 52 A 3.9275 7.5572 117.8224 55.1444 18.3902 179.9040 53 I 3.5488 7.7679 118.4437 64.4981 36.9977 178.7111 54 V 3.3098 7.4378 117.5297 65.8847 31.4436 177.5932 55 A 3.4705 7.3842 119.7990 54.9383 18.2034 179.6552 56 L 3.8298 7.7605 117.4695 57.8990 41.5403 179.3101 57 E 4.1392 8.2532 116.4930 58.0262 29.4822 178.2464 58 A 4.3296 7.2382 120.0916 52.1433 18.9382 177.3014 59 L 4.1285 7.2778 118.6644 54.3922 41.9471 177.3742 60 K 4.2861 8.6001 122.8470 57.2173 32.6729 176.1413 61 E 4.6877 7.5567 115.1884 54.3439 32.5805 174.3766 62 H 4.6142 8.5343 116.8395 56.1341 29.2110 174.7508 63 C 5.0421 8.9890 119.4214 57.8373 33.2935 172.5191 64 E 4.7692 9.2326 122.2484 55.2321 30.4686 174.7869 65 V 4.7060 9.0207 128.4265 60.9458 34.6031 174.0139 66 I 4.5059 8.0563 127.8790 59.3037 39.8276 173.8737 67 L 4.5755 8.0570 133.3714 53.5072 43.5188 174.8336 68 S 5.1938 8.8033 122.6958 57.1091 64.1692 172.7148 69 T 5.1587 8.9258 120.8882 61.0102 71.0142 173.3957 70 D 4.8201 8.8383 125.4550 53.1700 40.3837 176.6289 71 S 4.3284 8.2522 116.3423 58.6795 63.0580 174.7212 72 Q 3.9413 8.7760 128.9951 58.7696 28.6213 177.9158 73 Y 4.0756 7.9902 120.3710 60.7865 38.9888 178.0307 74 V 3.7364 8.0772 119.2135 65.8345 31.6107 177.8057 75 R 2.0000 7.4333 118.0202 58.8384 29.6762 178.1839 76 Q 3.2979 7.5710 119.5057 58.7392 28.7830 178.6181 77 G 2.3229 6.7954 106.3595 47.3679 0.0000 175.8332 78 I 3.5227 7.4154 121.9999 63.6400 37.1498 177.9572 79 T 4.0812 7.1783 108.4301 62.4576 69.2076 175.4588 80 Q 4.2525 7.5333 118.8324 55.0665 31.5452 176.6741 81 W 4.0167 6.8807 116.3351 57.5200 30.4698 177.4650 82 I 3.0412 6.8443 118.8567 64.3167 37.1017 177.0787 83 H 3.9572 7.8465 118.0488 59.4891 29.6787 176.7347 84 N 4.1946 7.7386 117.5435 55.8578 38.3351 177.2177 85 W 4.1202 7.5211 120.2878 59.8449 28.8917 178.6319 86 K 3.4059 7.1705 116.4379 59.2534 31.4904 178.7678 87 A 4.1998 7.3193 119.7000 53.6089 18.4147 178.7815 88 R 4.5386 7.6617 115.6989 55.3508 30.3797 176.8290 89 G 4.0480 8.3454 105.3074 46.2951 0.0000 174.1132 90 W 3.2958 8.3801 115.5582 57.5254 26.6528 173.9921 91 K 4.8433 7.4083 115.7237 54.5686 36.1482 178.0432 92 T 4.2625 8.5779 111.0224 61.3363 70.7065 174.0002 93 A 4.0506 8.7196 123.1802 55.8638 18.9637 179.0794 94 D 4.5505 7.7649 114.3315 56.0456 39.6110 178.0503 95 K 3.9200 7.4602 114.7090 58.1837 29.7517 174.4653 96 K 4.7563 8.0435 120.2456 53.4294 37.1436 175.4336 97 P 4.4935 0.0000 0.0000 62.9790 31.9459 176.8164 98 V 3.6722 8.1762 117.3493 60.5623 32.8186 175.7925 99 K 4.0516 8.4985 125.3189 57.9552 32.8021 176.0524 100 N 4.5493 9.1100 121.1361 54.4400 36.3461 176.5119 101 V 3.6939 7.6280 121.7524 65.0607 30.7787 177.5374 102 D 4.2618 8.0520 119.1060 56.4961 39.1138 178.4884 103 L 4.0223 7.8243 119.9318 56.7425 41.7634 179.1866 104 W 4.4634 8.3886 119.1133 59.9575 28.9951 178.6228 105 Q 3.5424 8.2281 118.1517 58.6248 28.0237 178.6179 106 R 3.8540 7.6977 119.7794 59.2073 30.0751 178.3777 107 L 4.0000 8.3962 120.6390 58.2411 42.1526 178.3964 108 D 4.6352 8.7671 118.0586 57.3729 40.9614 178.1570 109 A 4.0267 8.1409 120.3389 55.0315 18.7010 179.1735 110 A 4.1068 8.0607 119.3203 55.4202 18.6399 179.8543 111 L 4.1212 8.5817 118.1100 57.8692 41.5096 179.7971 112 G 3.8401 8.0549 104.2022 46.7717 0.0000 174.5491 113 Q 4.3304 7.7901 119.4559 55.5405 28.8625 174.1284 114 H 4.7762 7.4208 115.9368 54.6467 33.9758 173.1905 115 Q 4.3575 9.2609 119.4334 55.1373 29.2578 175.2197 116 I 4.4792 8.1248 125.2162 59.7429 39.1256 175.7640 117 K 4.3576 8.6320 127.0387 54.4047 34.8710 175.2493 118 W 4.2837 8.6762 127.6700 56.1668 30.3854 176.1785 119 E 4.2635 8.8408 124.4734 54.0617 31.3427 174.3175 120 W 5.2246 8.3414 127.1213 56.1767 29.6494 176.8583 121 V 4.3703 8.5579 118.9057 60.3870 32.7846 175.6942 122 K 4.2261 8.2683 120.4129 56.8908 35.1251 176.2642 123 G 3.6487 9.1029 111.2290 46.8520 0.0000 174.7298 *125 A 4.3047 8.5971 121.4152 50.9715 21.0095 177.7989 126 G 3.8734 7.4407 106.0686 45.5864 0.0000 173.3566 127 H 4.7815 9.1108 117.4511 53.7926 30.3764 175.2232 128 P 4.2579 0.0000 0.0000 65.9112 30.9640 178.9112 129 E 3.7222 7.7493 116.9478 59.2695 29.1886 178.9625 130 N 4.4957 7.8285 116.1274 56.3102 38.6072 177.3300 131 E 3.9877 8.0777 119.6145 59.3773 29.5664 179.1758 132 R 4.0788 8.0763 118.7616 59.6536 30.0633 178.3847 133 C 4.2106 8.2445 116.6245 62.7768 28.0711 175.5946 134 N 4.5479 8.0527 120.0338 56.1519 38.4556 176.8580 135 E 3.9873 8.3045 120.0400 59.3295 29.5835 179.2772 136 L 3.9468 8.1917 118.9179 57.7197 41.6903 179.4614 137 A 4.1331 8.3971 121.0131 55.4301 18.2920 179.9996 138 R 3.9777 8.7491 118.1222 58.6987 29.8579 179.2070 139 A 3.9982 8.1362 120.0407 54.9067 18.6346 179.2940 140 A 3.9948 8.1079 119.1955 55.2715 18.2731 179.7355 141 A 4.0672 7.9544 118.1679 55.1877 18.5126 178.6799 142 M 4.2743 7.6423 113.9749 56.2071 33.7858 175.9889 143 N 4.9897 7.8802 116.2032 52.3994 39.6541 172.3968 144 P 4.3913 0.0000 0.0000 63.2229 32.4405 176.9719 145 T 4.5259 8.3717 108.7293 60.8572 70.1554 173.2394 146 L 4.7503 7.2652 121.2821 52.9064 45.5389 174.3528 147 E 4.8964 8.5208 120.3700 54.7531 31.4316 176.0324 148 D 4.8075 8.5714 126.2229 52.7854 39.8214 176.3997 149 T 3.9832 8.2766 114.2116 63.7894 69.1160 176.3620 150 G 3.7283 7.6430 108.2360 46.3242 0.0000 172.8830 151 Y 4.2620 7.8980 122.4658 57.0180 38.9320 174.9338 152 Q 3.9259 8.1464 127.2430 54.1817 28.3499 175.7813 153 V 2.9226 7.7468 122.8621 63.5659 31.5555 175.6070 154 E 4.3017 8.5209 125.4270 55.6158 30.3545 176.5234 155 V 3.7189 7.7744 123.5607 62.0955 33.0447 173.3573 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 L 8.18 4.27 0.00 1.90 1.75 0.95 0.11 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 3 K 8.27 3.68 0.00 1.99 1.68 0.00 1.41 0.00 0.00 1.50 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.19 7.81 4 Q 9.00 5.05 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.54 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 5 V 8.67 4.83 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 0.95 0.00 0.00 0.94 0.00 0.00 6 E 9.28 4.99 0.00 1.98 1.51 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 2.19 2.21 0.00 7 I 8.15 5.05 1.63 0.00 0.00 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 1.20 0.83 0.84 0.00 0.00 8 F 9.25 5.43 0.00 2.98 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 9 T 8.65 5.31 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 10 D 8.67 4.68 0.00 2.89 2.59 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 0.00 0.00 0.00 0.00 11 G 8.83 4.54 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 0.00 12 S 9.07 5.63 0.00 3.87 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 13 C 8.37 5.07 0.00 2.95 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 9.28 4.37 0.00 1.69 1.70 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.36 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 0.00 0.00 0.00 16 N 8.22 4.99 0.00 2.67 2.68 0.00 0.00 6.83 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 17 P 0.00 4.62 0.00 1.97 1.86 0.00 3.93 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.21 0.00 18 G 8.26 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 0.00 0.00 0.00 19 P 0.00 4.93 0.00 2.09 2.00 0.00 3.86 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 20 G 9.14 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 0.00 0.00 0.00 21 G 9.02 4.70 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 0.00 0.00 0.00 22 Y 8.37 5.56 0.00 3.11 3.17 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 23 G 9.46 4.71 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 0.00 24 A 9.61 5.51 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 25 I 9.14 5.13 2.14 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 1.18 0.82 1.02 0.00 0.00 26 L 9.51 5.17 0.00 2.00 1.81 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 27 R 9.49 5.27 0.00 2.04 2.03 0.00 3.12 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.62 0.00 28 Y 9.04 4.94 0.00 2.98 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 29 R 9.42 3.42 0.00 0.93 1.55 0.00 2.76 0.00 0.00 2.97 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.92 0.00 30 G 8.14 3.96 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 0.00 0.00 0.00 31 R 8.12 4.20 0.00 1.81 2.05 0.00 3.17 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 32 E 8.65 5.26 0.00 1.85 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 2.25 2.28 0.00 33 K 9.36 4.47 0.00 1.77 1.65 0.00 1.95 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.84 1.26 7.81 34 T 8.16 5.05 4.12 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 1.20 0.00 0.00 35 F 9.09 5.16 0.00 3.11 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 36 S 8.98 4.96 0.00 3.78 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 37 A 7.07 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.29 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 0.00 0.00 0.00 0.00 39 Y 9.16 5.38 0.00 2.89 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 40 T 9.04 3.91 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 41 R 7.89 4.61 0.00 1.84 1.92 0.00 3.39 0.00 0.00 3.23 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 42 T 8.57 4.06 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 1.16 0.00 0.00 43 T 7.90 4.80 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 0.86 0.00 0.00 44 N 8.64 4.23 0.00 2.81 2.80 0.00 0.00 6.89 6.71 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 45 N 7.86 4.04 0.00 2.36 1.67 0.00 0.00 7.13 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 46 R 7.62 3.84 0.00 1.85 1.83 0.00 3.40 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 47 M 7.96 4.07 0.00 2.34 2.25 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.80 0.00 48 A 8.05 4.05 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 49 L 7.78 3.91 0.00 1.72 1.45 0.29 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 50 M 8.28 3.72 0.00 1.87 1.97 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.49 0.00 51 A 8.02 3.59 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 52 A 7.56 3.93 1.47 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 0.00 0.00 0.00 53 I 7.77 3.55 1.84 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.68 0.88 0.00 0.00 54 V 7.44 3.31 1.73 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 0.49 0.00 0.00 0.70 0.00 0.00 55 A 7.38 3.47 1.27 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 0.00 0.00 0.00 56 L 7.76 3.83 0.00 1.84 1.69 0.91 0.54 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 57 E 8.25 4.14 0.00 1.81 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 2.31 2.48 0.00 58 A 7.24 4.33 1.33 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 0.00 0.00 0.00 59 L 7.28 4.13 0.00 1.76 1.60 0.55 0.86 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 60 K 8.60 4.29 0.00 1.71 1.84 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.36 7.81 61 E 7.56 4.69 0.00 1.96 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 2.09 2.27 0.00 62 H 8.53 4.61 0.00 3.02 3.25 0.00 5.71 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 63 C 8.99 5.04 0.00 2.71 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 64 E 9.23 4.77 0.00 1.97 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 2.19 2.20 0.00 65 V 9.02 4.71 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 0.64 0.00 0.00 0.73 0.00 0.00 66 I 8.06 4.51 1.72 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.22 0.75 0.00 0.00 67 L 8.06 4.58 0.00 0.93 0.46 0.35 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.80 5.19 0.00 3.89 3.47 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 0.00 69 T 8.93 5.16 4.48 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 1.71 0.00 0.00 70 D 8.84 4.82 0.00 2.90 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 71 S 8.25 4.33 0.00 4.07 3.96 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 72 Q 8.78 3.94 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.69 0.00 0.00 0.00 0.00 0.00 2.47 2.35 0.00 73 Y 7.99 4.08 0.00 3.15 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 74 V 8.08 3.74 2.23 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 1.08 0.00 0.00 1.03 0.00 0.00 75 R 7.43 2.00 0.00 1.12 1.45 0.00 2.62 0.00 0.00 2.62 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.50 0.00 76 Q 7.57 3.30 0.00 1.79 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 1.79 1.98 0.00 77 G 6.80 2.32 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 0.00 78 I 7.42 3.52 1.51 0.00 0.00 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 1.69 -0.07 0.57 0.00 0.00 79 T 7.18 4.08 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 0.98 0.00 0.00 80 Q 7.53 4.25 0.00 1.31 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.00 1.84 0.00 81 W 6.88 4.02 0.00 1.78 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 6.84 3.04 1.65 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.18 0.80 0.00 0.00 83 H 7.85 3.96 0.00 3.14 3.15 0.00 5.92 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.74 4.19 0.00 2.66 2.75 0.00 0.00 7.09 7.68 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 85 W 7.52 4.12 0.00 2.70 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 0.00 0.00 0.00 86 K 7.17 3.41 0.00 1.56 1.83 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.15 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.31 7.81 87 A 7.32 4.20 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 88 R 7.66 4.54 0.00 1.90 1.91 0.00 3.23 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.76 0.00 89 G 8.35 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 0.00 0.00 0.00 90 W 8.38 3.30 0.00 3.36 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 91 K 7.41 4.84 0.00 1.91 1.64 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.56 7.81 92 T 8.58 4.26 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 1.17 0.00 0.00 93 A 8.72 4.05 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 94 D 7.76 4.55 0.00 2.78 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 95 K 7.46 3.92 0.00 1.83 1.96 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.37 1.39 7.81 96 K 8.04 4.76 0.00 1.64 1.60 0.00 1.66 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.72 7.81 97 P 0.00 4.49 0.00 1.89 1.95 0.00 3.64 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 98 V 8.18 3.67 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 0.22 0.00 0.00 0.33 0.00 0.00 99 K 8.50 4.05 0.00 1.74 1.83 0.00 2.10 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.52 1.53 7.81 100 N 9.11 4.55 0.00 3.41 3.04 0.00 0.00 6.86 7.68 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 0.00 101 V 7.63 3.69 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 0.81 0.00 0.00 0.78 0.00 0.00 102 D 8.05 4.26 0.00 2.85 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 0.00 103 L 7.82 4.02 0.00 1.58 1.60 0.80 0.89 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 0.00 104 W 8.39 4.46 0.00 3.56 3.75 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 0.00 105 Q 8.23 3.54 0.00 1.85 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 106 R 7.70 3.85 0.00 1.94 2.04 0.00 3.06 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 107 L 8.40 4.00 0.00 1.87 2.03 1.06 1.24 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 0.00 108 D 8.77 4.64 0.00 3.43 3.13 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 0.00 109 A 8.14 4.03 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 0.00 110 A 8.06 4.11 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.58 4.12 0.00 1.99 1.88 1.44 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.05 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 7.79 4.33 0.00 2.08 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.52 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 114 H 7.42 4.78 0.00 2.95 3.36 0.00 5.64 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 9.26 4.36 0.00 1.89 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 116 I 8.12 4.48 1.77 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.68 -0.00 0.00 0.00 117 K 8.63 4.36 0.00 1.63 1.56 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.72 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.21 1.33 7.81 118 W 8.68 4.28 0.00 2.59 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.84 4.26 0.00 1.82 1.66 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 2.21 2.25 0.00 120 W 8.34 5.22 0.00 3.25 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 0.00 121 V 8.56 4.37 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 0.74 0.00 0.00 1.11 0.00 0.00 122 K 8.27 4.23 0.00 1.62 1.70 0.00 1.91 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.38 7.81 123 G 9.10 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 0.00 0.00 0.00 *125 A 8.60 4.30 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 0.00 126 G 7.44 3.87 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 0.00 0.00 0.00 127 H 9.11 4.78 0.00 3.27 3.31 0.00 5.63 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.26 0.00 2.06 2.05 0.00 3.56 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 129 E 7.75 3.72 0.00 1.16 1.12 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 1.59 2.06 0.00 130 N 7.83 4.50 0.00 3.02 2.97 0.00 0.00 7.00 8.14 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 0.00 131 E 8.08 3.99 0.00 2.16 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 2.41 2.57 0.00 132 R 8.08 4.08 0.00 1.88 2.04 0.00 3.22 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 133 C 8.24 4.21 0.00 3.30 3.21 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 0.00 134 N 8.05 4.55 0.00 3.01 2.99 0.00 0.00 6.87 7.67 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 0.00 135 E 8.30 3.99 0.00 2.21 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 2.33 2.64 0.00 136 L 8.19 3.95 0.00 1.90 1.73 0.97 0.77 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 0.00 137 A 8.40 4.13 1.52 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 0.00 0.00 0.00 138 R 8.75 3.98 0.00 1.84 2.00 0.00 3.16 0.00 0.00 3.28 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 139 A 8.14 4.00 1.34 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 0.00 0.00 140 A 8.11 3.99 1.34 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 0.00 0.00 141 A 7.95 4.07 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.64 4.27 0.00 1.97 2.22 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 143 N 7.88 4.99 0.00 2.65 2.62 0.00 0.00 7.15 7.31 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 0.00 144 P 0.00 4.39 0.00 2.22 2.12 0.00 3.74 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 145 T 8.37 4.53 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 1.21 0.00 0.00 146 L 7.27 4.75 0.00 0.89 1.31 0.62 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.52 4.90 0.00 1.96 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 2.29 2.36 0.00 148 D 8.57 4.81 0.00 2.66 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 0.00 149 T 8.28 3.98 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 1.27 0.00 0.00 150 G 7.64 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 0.00 151 Y 7.90 4.26 0.00 3.08 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 0.00 152 Q 8.15 3.93 0.00 1.89 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.62 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 153 V 7.75 2.92 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 0.85 0.00 0.00 0.87 0.00 0.00 154 E 8.52 4.30 0.00 2.10 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 2.26 2.36 0.00 155 V 7.77 3.72 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 0.65 0.00 0.00 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.