NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9885 8.2127 109.7431 45.3493 0.0000 173.4396 3 L 3.8092 8.5395 119.2751 57.3495 41.8215 178.1615 4 L 3.9786 8.6535 121.2747 58.3013 42.3305 178.5938 5 S 4.1787 7.9549 113.6069 61.4657 63.1516 176.4162 6 R 4.0861 8.0786 120.8586 59.3270 29.8591 179.0350 7 L 4.0376 8.3520 119.1591 57.9482 41.3925 179.7887 8 R 4.0529 7.9378 116.6850 58.2212 30.0453 178.0789 9 K 4.3139 7.7402 116.5010 55.4903 32.3313 176.7595 10 R 3.9328 7.8120 117.1016 57.1213 28.0170 176.2420 11 E 4.2383 8.0927 116.7965 55.1920 30.2410 175.2573 12 P 4.4194 0.0000 0.0000 62.2415 32.1822 176.2345 13 I 3.7668 8.1794 121.8123 61.4565 37.3987 177.0694 14 S 4.5158 8.5220 120.8607 57.5160 65.4507 175.1301 15 I 3.6556 8.2539 122.7826 64.7037 36.7967 177.5898 16 Y 4.2111 8.1563 120.3876 61.3594 38.5215 178.4071 17 D 4.2101 8.1994 118.8595 56.9652 40.6860 178.4538 18 K 3.8706 8.0150 119.7974 59.0734 32.2246 177.8220 19 I 4.2414 7.1492 109.7958 60.4441 38.0163 176.1182 20 G 3.8751 8.0340 108.3296 44.7601 0.0000 176.1753 21 G 2.5698 8.0866 109.3852 45.0422 0.0000 173.5484 22 H 4.2207 8.7414 116.7585 59.9947 29.2470 178.1603 23 E 3.8999 8.2286 119.2586 59.1207 29.3386 179.0083 24 A 3.9822 7.8196 120.5189 55.2218 18.4896 179.6210 25 I 3.7114 7.6678 117.9219 64.3405 37.1296 178.3301 26 E 3.9868 8.1080 119.5301 59.6269 29.4551 179.7381 27 V 3.6168 7.5099 117.5225 65.8332 31.6164 178.3066 28 V 3.5797 7.9782 118.1127 65.9919 31.3897 178.0569 29 V 3.8526 8.5574 118.4067 66.0876 31.3664 177.3856 30 E 4.0403 8.2955 118.9883 59.5797 28.9860 178.4449 31 D 4.3301 8.1249 117.5018 57.0672 41.2449 177.4876 32 F 4.2746 8.7754 121.7468 62.1073 39.3163 177.0359 33 Y 3.7302 8.1894 115.5381 60.2055 37.4045 178.3074 34 V 3.5372 7.5048 119.3058 66.2394 31.4311 178.3043 35 R 3.8055 7.6079 116.2129 58.9952 30.1013 179.0728 36 V 3.5231 7.5734 118.0524 66.0419 31.3726 178.1104 37 L 3.9330 7.5257 116.9632 57.3538 41.5149 178.6727 38 A 4.4427 7.3488 118.6788 51.8197 19.0282 176.4945 39 D 4.6271 7.8072 118.6248 52.7771 41.1970 176.6279 40 D 4.5664 8.8169 127.8261 57.5765 40.8602 178.3935 41 Q 4.2771 8.3351 116.9723 57.5415 28.9453 177.1663 42 L 4.9927 8.5412 119.5946 55.3188 43.5811 178.2960 43 S 4.2877 8.3193 112.7300 61.7138 62.1415 176.0844 44 A 3.9504 8.0598 122.3883 55.0350 17.8028 179.3349 45 F 4.1088 7.6403 115.8566 59.8987 39.0352 176.1247 46 F 4.6022 8.2020 116.2907 56.9329 38.9033 175.0934 47 S 4.1864 7.6639 116.7730 59.9360 62.0269 174.5780 48 G 3.9676 9.0122 115.9075 45.6029 0.0000 173.1237 49 T 3.9852 7.6337 110.2473 61.3179 69.3767 175.5382 50 N 4.5833 8.4846 122.9923 53.0781 37.5930 175.0692 51 M 3.8431 8.2832 126.4759 57.7910 32.2517 177.7151 52 S 3.9935 8.0622 112.8243 61.3753 62.5434 175.8835 53 R 3.8225 8.0921 120.5909 59.3778 29.8809 177.6453 54 L 3.9161 7.9840 120.1348 58.4467 41.9367 178.9489 55 K 4.1131 8.5038 118.4488 59.5941 32.0110 179.4679 56 G 3.6842 8.0829 105.6785 47.9135 0.0000 175.9396 57 K 4.1668 8.4321 121.5435 59.0649 31.9979 179.2695 58 Q 3.8405 8.8617 120.2982 59.1251 29.0264 178.3795 59 V 3.7604 8.3273 119.6750 66.2815 31.5504 177.9123 60 E 4.1113 8.3305 118.2608 59.2723 29.2809 179.1010 61 F 3.6139 8.5705 120.9340 61.2366 39.4673 177.0635 62 F 4.5553 8.2842 117.2581 60.7487 38.6701 177.5388 63 A 4.1621 8.3512 120.0015 55.1679 18.2123 179.6418 64 A 3.7342 8.0032 118.9599 55.2612 18.2961 179.6318 65 A 3.8225 7.7449 118.3552 54.8115 18.5161 178.7772 66 L 4.4989 7.9331 116.0294 54.5284 41.6273 178.1554 67 G 3.9750 7.9109 107.1115 45.1069 0.0000 174.2267 68 G 2.9213 7.5793 109.0053 44.2853 0.0000 172.2914 69 P 4.3217 0.0000 0.0000 64.0110 31.9597 176.2830 70 E 4.5551 7.5686 117.7019 53.9080 31.0991 174.0662 71 P 4.4641 0.0000 0.0000 62.2761 32.2989 175.5032 72 Y 4.4145 8.4752 122.0714 57.7507 39.2849 175.8737 73 T 4.3080 8.3851 116.0403 61.1955 69.6838 175.0049 74 G 3.6541 5.4142 110.3694 43.8718 0.0000 173.1004 75 A 4.4106 8.2315 121.5413 50.7188 19.9350 176.6319 76 P 4.7030 0.0000 0.0000 62.5245 33.6271 177.9095 77 M 4.0698 8.6515 120.0804 58.4966 32.0040 179.1370 78 K 4.2560 7.9427 120.5358 59.0149 32.3041 178.5252 79 Q 3.9612 7.9842 118.3118 59.2626 29.1969 178.1670 80 V 3.7248 7.5655 118.6264 64.5561 31.7980 177.2036 81 H 4.4851 8.0190 114.8465 55.2013 29.1161 175.1045 82 Q 4.0384 7.3203 122.3888 57.3961 29.3080 176.0017 83 G 3.9454 8.7976 111.0125 46.7476 0.0000 174.2902 84 R 4.4678 7.5702 117.0251 54.6521 31.4065 177.0160 85 G 4.1013 8.2305 105.2615 46.3482 0.0000 173.9007 86 I 3.7461 7.1217 117.8003 61.0328 37.6675 176.8539 87 T 4.5765 8.5587 115.4024 60.4341 72.3806 175.4274 88 M 4.1601 8.3898 119.3578 58.4308 31.8395 178.3426 89 H 4.1207 8.2501 118.2632 59.6566 30.0893 176.8675 90 H 4.2764 8.0373 117.6481 58.8671 28.4871 177.5184 91 F 4.0901 8.3326 122.4771 61.4049 39.1018 177.3220 92 S 4.1586 8.4946 114.7848 61.5905 62.5906 176.3731 93 L 3.8330 7.8193 121.6302 58.0106 41.3668 179.8906 94 V 3.6201 7.8141 117.5102 66.0541 31.3917 177.9534 95 A 3.8988 8.1582 120.9442 54.8597 18.1527 179.8328 96 G 3.5022 8.2730 104.6146 48.3776 0.0000 175.7245 97 H 4.3956 8.3930 119.0672 58.3249 28.6580 177.7807 98 L 3.7035 8.2110 122.2528 58.0001 41.8925 178.7971 99 A 3.9167 8.2286 121.1125 55.3011 18.1696 179.3791 100 D 4.2891 8.3081 117.1935 57.3879 40.9418 178.8744 101 A 4.2402 8.0071 122.7065 54.6263 18.4927 179.7208 102 L 3.8984 7.9893 117.5647 58.0372 41.6065 179.8809 103 T 3.8005 8.0508 115.5130 66.6856 68.2408 176.6018 104 A 3.9966 8.0407 121.0172 54.7371 18.4353 178.6613 105 A 4.2619 7.6448 116.9597 52.4387 18.8620 178.3277 106 G 3.7860 7.9088 105.6753 45.0986 0.0000 173.9331 107 V 3.6337 7.4009 119.8166 61.6035 32.0745 174.7606 108 P 4.3147 0.0000 0.0000 63.0434 33.1644 177.2638 109 S 4.1249 8.6241 116.5836 62.0256 62.8337 177.0036 110 E 3.9502 8.1461 120.5982 59.7195 29.1835 179.3633 111 T 4.0025 7.7866 115.2568 66.2498 68.6118 176.8659 112 I 3.6604 7.5976 121.4871 64.5658 37.1270 178.4595 113 T 3.8127 8.0404 116.5876 66.5539 68.1641 176.0919 114 E 3.8747 7.9667 121.0189 59.3892 29.6420 178.7078 115 I 3.6672 8.0389 120.0701 64.6613 37.1561 178.4215 116 L 4.0669 8.3048 119.9381 57.7116 41.1360 179.8832 117 G 3.4654 7.7764 104.8934 47.3201 0.0000 175.5982 118 V 3.8697 7.2136 119.8793 65.5709 31.8295 177.9947 119 I 4.0341 8.0231 119.4698 64.3066 37.0604 177.8548 120 A 4.3310 8.6859 122.1874 55.1961 18.2005 177.7459 121 P 4.3388 0.0000 0.0000 64.5754 31.4776 177.9859 122 L 4.3402 8.3558 117.8808 56.1647 41.6488 178.5404 123 A 3.0392 7.7472 121.5222 54.6915 17.7605 179.9956 124 V 3.4641 7.0072 109.0400 64.4425 31.5408 177.9624 125 D 4.5150 7.7803 118.0728 56.9497 40.8244 178.8298 126 V 3.4907 7.7419 120.3377 66.2869 31.5889 176.5922 *127 T 4.2112 7.7906 114.9662 60.8798 69.0845 176.7933 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 G 8.21 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 3 L 8.54 3.81 0.00 2.04 1.69 0.97 0.14 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 4 L 8.65 3.98 0.00 1.80 1.65 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 5 S 7.95 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 6 R 8.08 4.09 0.00 2.04 2.00 0.00 3.31 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.91 0.00 7 L 8.35 4.04 0.00 1.80 1.73 0.92 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 R 7.94 4.05 0.00 1.91 2.00 0.00 3.15 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.03 0.00 9 K 7.74 4.31 0.00 1.90 1.84 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.62 7.81 10 R 7.81 3.93 0.00 1.98 2.04 0.00 3.16 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 11 E 8.09 4.24 0.00 2.05 1.88 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 2.31 2.40 0.00 12 P 0.00 4.42 0.00 2.16 2.05 0.00 3.51 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 13 I 8.18 3.77 1.88 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 1.48 0.54 0.92 0.00 0.00 14 S 8.52 4.52 0.00 4.27 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 15 I 8.25 3.66 2.05 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 1.52 0.94 0.90 0.00 0.00 16 Y 8.16 4.21 0.00 3.06 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 17 D 8.20 4.21 0.00 2.85 2.71 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 18 K 8.01 3.87 0.00 2.05 2.02 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.45 7.81 19 I 7.15 4.24 1.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.72 0.86 0.00 0.00 20 G 8.03 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 21 G 8.09 2.57 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 0.00 0.00 0.00 0.00 22 H 8.74 4.22 0.00 3.43 3.44 0.00 5.68 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 23 E 8.23 3.90 0.00 2.05 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 2.54 2.49 0.00 24 A 7.82 3.98 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 25 I 7.67 3.71 1.97 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.77 1.12 0.00 0.00 26 E 8.11 3.99 0.00 2.15 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 2.33 2.46 0.00 27 V 7.51 3.62 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 1.00 0.00 0.00 0.96 0.00 0.00 28 V 7.98 3.58 2.17 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 0.67 0.00 0.00 0.95 0.00 0.00 29 V 8.56 3.85 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 1.34 0.00 0.00 1.29 0.00 0.00 30 E 8.30 4.04 0.00 2.28 2.17 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 2.35 2.42 0.00 31 D 8.12 4.33 0.00 2.90 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 32 F 8.78 4.27 0.00 2.98 3.18 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 0.00 0.00 0.00 33 Y 8.19 3.73 0.00 3.06 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 34 V 7.50 3.54 2.27 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 1.02 0.00 0.00 0.99 0.00 0.00 35 R 7.61 3.81 0.00 1.84 1.76 0.00 3.36 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 36 V 7.57 3.52 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 0.69 0.00 0.00 0.29 0.00 0.00 37 L 7.53 3.93 0.00 1.65 1.69 0.80 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.35 4.44 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 39 D 7.81 4.63 0.00 2.76 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 40 D 8.82 4.57 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 41 Q 8.34 4.28 0.00 2.20 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.77 0.00 0.00 0.00 0.00 0.00 2.47 2.71 0.00 42 L 8.54 4.99 0.00 1.93 1.99 1.10 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.32 4.29 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 44 A 8.06 3.95 1.15 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 45 F 7.64 4.11 0.00 2.70 2.49 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 46 F 8.20 4.60 0.00 3.16 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 47 S 7.66 4.19 0.00 3.88 3.78 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 48 G 9.01 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 49 T 7.63 3.99 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 50 N 8.48 4.58 0.00 2.85 2.75 0.00 0.00 7.19 7.65 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 51 M 8.28 3.84 0.00 1.89 2.02 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.49 0.00 52 S 8.06 3.99 0.00 3.86 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 53 R 8.09 3.82 0.00 1.91 2.03 0.00 3.25 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 54 L 7.98 3.92 0.00 1.73 1.65 1.03 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.50 4.11 0.00 1.91 1.95 0.00 1.77 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.63 1.23 7.81 56 G 8.08 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 57 K 8.43 4.17 0.00 2.01 2.07 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.64 1.62 7.81 58 Q 8.86 3.84 0.00 2.42 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.78 0.00 0.00 0.00 0.00 0.00 2.58 1.98 0.00 59 V 8.33 3.76 2.35 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 1.10 0.00 0.00 1.10 0.00 0.00 60 E 8.33 4.11 0.00 2.55 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 2.42 2.62 0.00 61 F 8.57 3.61 0.00 2.76 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 62 F 8.28 4.56 0.00 3.27 3.02 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 63 A 8.35 4.16 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 64 A 8.00 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 65 A 7.74 3.82 1.11 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 0.00 0.00 66 L 7.93 4.50 0.00 1.83 1.80 0.86 0.72 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 67 G 7.91 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 68 G 7.58 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 0.00 0.00 0.00 69 P 0.00 4.32 0.00 2.14 2.13 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.97 0.00 70 E 7.57 4.56 0.00 1.94 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 2.23 2.28 0.00 71 P 0.00 4.46 0.00 2.04 1.98 0.00 3.66 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 72 Y 8.48 4.41 0.00 2.95 2.84 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 73 T 8.39 4.31 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 1.19 0.00 0.00 74 G 5.41 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 75 A 8.23 4.41 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 76 P 0.00 4.70 0.00 2.24 2.08 0.00 3.80 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 77 M 8.65 4.07 0.00 2.02 2.15 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 2.58 2.45 0.00 78 K 7.94 4.26 0.00 1.84 1.82 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.36 7.81 79 Q 7.98 3.96 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.88 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 80 V 7.57 3.72 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 0.74 0.00 0.00 0.83 0.00 0.00 81 H 8.02 4.49 0.00 3.36 3.44 0.00 5.82 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 7.32 4.04 0.00 2.33 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.52 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 83 G 8.80 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 84 R 7.57 4.47 0.00 2.03 1.96 0.00 3.18 0.00 0.00 3.08 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.78 0.00 85 G 8.23 4.10 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 0.00 0.00 0.00 86 I 7.12 3.75 1.92 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 0.44 0.19 0.85 0.00 0.00 87 T 8.56 4.58 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 1.35 0.00 0.00 88 M 8.39 4.16 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.48 0.00 89 H 8.25 4.12 0.00 3.24 3.26 0.00 5.87 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 90 H 8.04 4.28 0.00 3.37 3.31 0.00 5.68 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.33 4.09 0.00 3.15 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 92 S 8.49 4.16 0.00 4.07 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 93 L 7.82 3.83 0.00 1.89 1.70 0.80 0.61 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 94 V 7.81 3.62 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 1.22 0.00 0.00 1.02 0.00 0.00 95 A 8.16 3.90 1.15 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 96 G 8.27 3.50 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 0.00 97 H 8.39 4.40 0.00 3.44 3.41 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.21 3.70 0.00 1.09 1.56 0.08 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.23 3.92 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 0.00 100 D 8.31 4.29 0.00 2.91 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 0.00 101 A 8.01 4.24 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 0.00 102 L 7.99 3.90 0.00 1.76 1.64 0.71 0.44 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 0.00 103 T 8.05 3.80 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 1.19 0.00 0.00 104 A 8.04 4.00 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 0.00 105 A 7.64 4.26 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 0.00 106 G 7.91 3.79 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 0.00 0.00 0.00 107 V 7.40 3.63 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 0.74 0.00 0.00 0.87 0.00 0.00 108 P 0.00 4.31 0.00 2.17 1.97 0.00 3.63 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 2.18 0.00 109 S 8.62 4.12 0.00 3.84 3.90 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 E 8.15 3.95 0.00 1.99 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 2.39 2.39 0.00 111 T 7.79 4.00 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 1.18 0.00 0.00 112 I 7.60 3.66 1.99 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 1.45 0.86 0.84 0.00 0.00 113 T 8.04 3.81 4.43 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 1.20 0.00 0.00 114 E 7.97 3.87 0.00 2.03 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 2.29 2.35 0.00 115 I 8.04 3.67 1.91 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.64 0.69 0.00 0.00 116 L 8.30 4.07 0.00 1.78 1.71 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 117 G 7.78 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 0.00 0.00 0.00 118 V 7.21 3.87 2.22 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 0.88 0.00 0.00 0.98 0.00 0.00 119 I 8.02 4.03 1.88 0.00 0.00 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 1.60 0.71 0.95 0.00 0.00 120 A 8.69 4.33 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 0.00 121 P 0.00 4.34 0.00 2.20 2.12 0.00 3.72 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.19 0.00 122 L 8.36 4.34 0.00 2.05 1.84 1.24 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 123 A 7.75 3.04 0.12 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 0.00 0.00 0.00 124 V 7.01 3.46 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 0.71 0.00 0.00 0.95 0.00 0.00 125 D 7.78 4.52 0.00 2.81 2.80 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 0.00 0.00 0.00 126 V 7.74 3.49 2.12 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 0.70 0.00 0.00 0.94 0.00 0.00 *127 T 7.79 4.21 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 1.15 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.