NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2672 8.1593 117.3739 63.5158 69.6219 174.2362 2 S 4.3763 8.4092 122.2056 56.1237 66.2001 173.2482 3 K 4.0518 9.1584 123.0894 59.5067 32.3104 179.6380 4 K 3.8373 8.0662 118.3041 59.6554 31.8365 178.9475 5 K 3.9062 7.6765 117.4440 58.9983 32.0515 177.8328 6 R 4.3992 7.4417 115.8516 56.4360 30.4419 177.7843 7 Q 4.1931 8.2226 119.9452 57.0897 28.4476 175.8075 8 R 4.0346 7.5815 118.8453 59.0111 29.9465 175.8895 9 G 4.0610 8.9703 111.8652 45.8235 0.0000 174.3974 10 S 4.1012 8.0565 113.6076 58.8161 62.8756 173.1551 11 R 4.0305 7.5720 122.7770 57.4969 29.4430 176.1040 12 T 4.2183 7.5794 105.0268 61.6623 69.7782 174.3028 13 H 4.3247 8.3186 118.0985 56.0495 26.8615 175.4980 14 G 3.8879 8.3373 103.1623 46.2863 0.0000 174.6256 15 G 3.9109 8.4198 107.2087 44.8401 0.0000 176.3241 16 G 3.9157 7.8754 106.6118 45.0891 0.0000 174.0914 17 S 4.2151 8.5154 117.4269 58.5075 62.8212 174.8158 18 H 4.4462 8.7932 120.9982 57.1856 28.3823 175.8838 19 K 4.1086 7.6891 119.1729 56.9803 31.8163 177.5983 20 N 4.3414 7.6219 117.3650 55.8375 39.0844 177.3455 21 R 4.4852 7.5042 120.7171 56.1857 28.9407 177.6531 22 R 4.6108 7.4490 123.1171 56.2851 31.1836 179.4342 23 G 4.0554 8.4865 121.5364 45.9872 0.0000 173.7119 24 A 4.2104 8.6543 120.6523 54.3975 18.3625 179.9977 25 G 3.6079 8.0398 104.5016 48.0182 0.0000 175.3206 26 H 4.3504 7.9136 119.7516 58.6751 29.9406 176.7938 27 R 4.2993 7.9033 117.5743 56.0297 30.3652 176.9973 28 G 3.8118 7.3675 106.9213 46.2178 0.0000 173.5737 29 G 4.1407 8.1419 106.1781 43.8724 0.0000 174.8299 30 R 4.0570 8.6630 119.5085 56.9662 31.7298 176.6504 31 G 3.8436 8.1642 110.8815 47.4771 0.0000 173.6148 32 D 4.7896 8.5494 120.9470 53.8446 41.0942 175.7398 33 A 3.9566 7.4759 122.6370 53.6522 18.8869 178.8707 34 G 3.7711 8.9759 109.5911 46.0350 0.0000 175.3430 35 R 3.9043 7.6097 116.4472 57.5441 29.1955 177.2069 36 D 4.9669 7.8525 115.5035 52.6780 41.2913 175.0098 37 K 4.4687 8.7982 118.9696 57.1565 32.1780 178.5860 38 H 4.6073 9.7818 125.4109 58.4735 27.8999 175.8854 39 E 4.7845 7.3701 118.3682 55.6847 30.5223 177.9515 40 F 5.0641 8.2433 114.9187 59.0657 38.5954 175.1100 41 H 3.6912 6.1671 117.4370 57.3172 28.7595 174.6020 42 N 4.2191 8.6780 119.5737 54.8174 36.1362 173.6599 43 H 4.8926 7.5196 112.3497 53.5158 31.4810 174.3707 44 E 4.1052 8.7477 123.7943 55.3951 29.9205 175.2415 45 P 4.3927 0.0000 0.0000 62.9024 31.6680 176.0206 46 L 4.1360 8.0684 119.1665 55.0731 42.2656 175.6872 47 G 4.0329 8.2328 106.0052 44.1158 0.0000 173.3089 48 K 4.6200 8.2466 118.4765 54.6071 34.1746 176.4677 49 S 4.4094 8.1302 115.8249 57.6119 65.3140 175.3115 50 G 4.0853 8.9230 117.9414 45.2808 0.0000 171.1290 51 F 5.0527 8.7827 113.0442 55.3908 41.1925 173.3150 52 K 4.2559 8.2016 118.4077 54.5061 35.4260 176.3383 53 R 4.4702 7.9284 120.9276 53.6502 31.7841 174.7483 54 P 4.2567 0.0000 0.0000 63.2218 31.5780 177.1260 55 Q 3.8859 8.9646 121.6106 58.9083 28.7563 178.3899 56 K 4.4089 7.9563 114.0496 56.9468 32.7643 176.9809 57 V 4.2978 8.0149 117.2372 62.7250 32.1038 174.6237 58 Q 4.5443 7.6962 118.0538 54.4905 29.8979 174.8809 59 E 4.4028 8.5707 122.6204 54.8805 31.2738 175.2895 60 E 4.4495 8.3659 122.9815 54.3183 31.8734 174.1266 61 A 4.2453 8.1637 128.8822 50.7902 20.1319 176.1419 62 A 4.3543 9.0799 125.2719 51.3716 19.8446 177.0992 63 T 5.3867 8.0816 112.5579 60.1454 71.7884 173.9016 64 I 4.2444 7.6693 118.3879 60.4898 41.4525 173.0108 65 D 5.2331 8.5495 128.8957 53.4389 42.2736 177.7740 66 V 3.6672 8.4703 116.2799 64.7151 31.3973 178.8776 67 R 3.9030 7.8682 117.9135 59.5308 29.5878 178.1922 68 E 3.8885 7.9490 117.7870 59.2627 29.9637 178.5024 69 I 3.7869 7.6688 119.2877 64.5180 37.1554 177.5676 70 D 4.2880 8.5728 118.9750 57.6173 40.8640 178.2206 71 E 4.1526 8.3230 117.2603 58.0917 29.6209 177.2235 72 N 5.0191 7.8588 116.6054 52.6942 38.6847 177.2671 73 V 3.2593 7.7963 113.9408 64.6972 31.3580 178.1936 74 T 4.1045 7.5096 107.4782 64.8395 68.5345 175.8488 75 L 4.1830 7.1392 118.6501 56.7581 41.9576 177.7177 76 L 4.4072 7.8361 119.4899 54.6511 41.9314 178.7034 77 A 3.7775 8.0155 122.7998 54.8765 18.8992 179.5070 78 A 4.4326 7.4198 116.9446 52.5198 17.9660 176.3672 79 D 4.9935 7.6711 116.6946 52.9856 45.2054 175.2606 80 D 4.4440 8.6074 119.6471 55.1976 41.1173 176.4682 81 V 4.5508 8.0007 122.2639 60.7819 32.2892 176.0889 82 A 4.4400 7.8814 135.0000 51.1758 18.8204 178.3732 83 E 3.7970 8.7706 113.5017 59.2901 29.8874 177.0776 *89 F 4.8257 7.8441 118.5431 57.6255 40.6455 173.7256 90 R 5.2243 8.9344 124.7368 54.3973 32.4663 174.9885 91 V 4.4980 8.7794 125.5397 59.9395 35.2513 174.6015 92 D 4.8654 8.7439 123.8651 52.8927 40.6916 176.4107 93 V 3.6416 8.5994 128.5836 66.2165 31.6961 178.4904 94 R 3.9512 7.3301 115.2557 59.1624 29.8844 177.9945 95 D 4.5666 8.0798 116.4745 55.4223 41.0980 178.2803 96 V 3.8878 7.6584 119.1878 64.1225 32.3374 176.2554 97 V 3.6190 7.2693 117.0219 63.0689 30.5315 175.4288 98 E 4.2767 8.6064 125.8753 56.6617 30.4050 176.0031 99 E 3.9543 8.6011 117.0928 57.7957 26.8920 175.0499 100 A 4.4696 7.4267 118.1372 52.4391 18.6809 178.7376 101 D 4.6606 7.7168 117.6789 56.8888 41.9175 178.7457 102 D 4.0784 7.9411 117.4040 55.6245 39.7076 176.7467 103 A 4.3461 7.0777 122.4394 51.8313 18.9164 176.9937 104 D 4.6260 8.8417 121.4230 57.1879 42.0444 175.4358 105 Y 4.6633 7.0406 114.4688 56.6452 40.9978 172.5578 106 V 4.7946 8.8531 120.2255 61.0233 33.9243 174.0960 107 K 4.8250 9.0409 129.2246 54.5490 35.2878 174.5916 108 V 4.5125 8.3505 127.8733 61.8028 32.9837 174.5806 109 L 4.6464 9.3364 128.9804 52.9496 43.9009 176.9573 110 G 4.4478 8.1299 110.8983 45.0824 0.0000 172.6998 111 A 4.7315 8.0648 122.6150 51.6851 22.5719 178.1034 112 G 4.0692 9.0139 108.2555 44.6561 0.0000 172.2601 113 Q 4.4956 8.0943 116.9155 54.2849 30.8029 175.9952 114 V 4.4995 7.7770 117.4087 60.4387 32.0743 174.3310 115 R 4.4457 8.6739 126.1148 56.0103 30.2350 175.9026 116 H 4.8306 7.7241 113.8917 54.8464 32.9103 172.4705 117 E 4.7806 8.7109 119.9186 54.8541 30.1270 176.0305 118 L 5.0035 8.5407 124.7573 53.1805 45.3328 175.9446 119 T 5.1366 8.7179 120.1775 61.1951 70.3489 172.5661 120 L 5.1870 8.2942 126.4229 53.2390 44.4345 175.7010 121 I 5.6180 8.9027 123.3966 59.0499 39.9575 174.6122 122 A 4.8639 8.6267 127.4323 50.8978 22.2361 175.8338 123 D 4.4686 8.5769 117.3993 56.7996 42.0454 176.5138 124 D 4.6211 7.1712 115.8265 53.3004 44.5504 174.0025 125 F 5.4526 8.5958 120.8410 55.8906 43.4833 174.2836 126 S 4.6501 8.5720 115.6024 57.2784 64.9796 174.6945 127 E 4.0460 9.1215 121.6856 59.8705 29.1974 179.5359 128 G 3.6692 8.1215 104.6339 47.3033 0.0000 175.5154 129 A 4.1018 7.9199 122.7291 55.2499 18.4723 179.5690 130 R 3.7696 8.2556 116.6563 59.1377 30.1291 178.7993 131 E 3.9051 8.1245 117.9692 59.8512 29.1582 180.1722 132 K 3.9851 8.0700 118.1238 59.3404 31.6061 179.7479 133 V 3.6518 7.6474 118.3529 65.9664 31.3829 178.0724 134 E 4.8525 8.1913 120.2189 58.9044 29.2160 179.4471 135 G 3.6109 8.2126 106.6243 48.0041 0.0000 173.6068 136 A 4.4606 7.8233 121.3933 51.7530 19.6529 176.6206 137 G 3.9760 8.4136 105.8234 47.3451 0.0000 172.5902 138 G 4.4380 7.4511 106.2391 45.1744 0.0000 170.7871 139 S 5.0206 8.7880 113.1624 56.2889 66.6883 173.3145 140 V 4.3425 8.2044 121.3337 61.2524 33.1847 174.4840 141 E 4.5643 9.4651 129.4470 54.3986 31.2313 175.2661 142 L 4.9459 8.5029 127.6674 55.1570 42.8390 176.8080 143 T 4.2811 8.7031 122.8086 63.1554 69.7195 175.4870 144 D 4.5098 8.7404 122.1613 57.3617 40.4671 178.9695 145 L 4.0467 7.8520 120.1396 57.9255 42.7546 178.6483 146 G 3.8538 7.5418 105.2163 45.7163 0.0000 174.4125 147 E 4.3044 7.5023 118.2301 57.2088 28.9321 176.5847 148 E 4.5421 7.7316 117.4725 56.9207 30.3065 177.7321 149 R 4.4163 7.3647 117.2734 52.9507 29.0708 176.4187 150 Q 4.2693 7.6019 121.7227 56.8806 29.1570 173.0765 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 T 8.16 4.27 4.24 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 1.20 0.00 0.00 2 S 8.41 4.38 0.00 4.10 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 3 K 9.16 4.05 0.00 1.84 1.84 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.52 7.81 4 K 8.07 3.84 0.00 1.84 1.86 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.52 7.81 5 K 7.68 3.91 0.00 1.72 2.01 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.53 7.81 6 R 7.44 4.40 0.00 1.95 1.92 0.00 3.20 0.00 0.00 3.21 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 7 Q 8.22 4.19 0.00 1.93 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.60 6.97 0.00 0.00 0.00 0.00 0.00 2.53 2.45 0.00 8 R 7.58 4.03 0.00 1.79 1.91 0.00 3.37 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 9 G 8.97 4.06 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 0.00 0.00 0.00 10 S 8.06 4.10 0.00 3.99 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 11 R 7.57 4.03 0.00 1.97 2.01 0.00 3.21 0.00 0.00 3.27 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 12 T 7.58 4.22 4.33 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 1.30 0.00 0.00 13 H 8.32 4.32 0.00 3.20 3.38 0.00 5.73 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.34 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 15 G 8.42 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 16 G 7.88 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 0.00 0.00 0.00 17 S 8.52 4.22 0.00 3.87 3.74 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 18 H 8.79 4.45 0.00 3.31 3.39 0.00 5.57 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 19 K 7.69 4.11 0.00 1.72 1.80 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.27 1.27 7.81 20 N 7.62 4.34 0.00 2.84 2.61 0.00 0.00 6.95 6.94 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 21 R 7.50 4.49 0.00 1.80 1.92 0.00 3.18 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 22 R 7.45 4.61 0.00 1.74 1.01 0.00 3.24 0.00 0.00 3.20 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 23 G 8.49 4.06 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 0.00 0.00 0.00 24 A 8.65 4.21 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 25 G 8.04 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 26 H 7.91 4.35 0.00 3.04 3.46 0.00 5.94 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.90 4.30 0.00 1.98 1.96 0.00 3.28 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 28 G 7.37 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 29 G 8.14 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.66 4.06 0.00 1.94 1.87 0.00 3.34 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 31 G 8.16 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 32 D 8.55 4.79 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 33 A 7.48 3.96 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 34 G 8.98 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 35 R 7.61 3.90 0.00 1.57 2.03 0.00 2.74 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 36 D 7.85 4.97 0.00 2.73 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 37 K 8.80 4.47 0.00 1.79 1.40 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.35 1.51 7.81 38 H 9.78 4.61 0.00 3.32 3.47 0.00 5.47 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.37 4.78 0.00 2.01 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 2.22 2.13 0.00 40 F 8.24 5.06 0.00 3.23 3.25 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 41 H 6.17 3.69 0.00 2.93 3.04 0.00 5.81 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.68 4.22 0.00 2.78 2.83 0.00 0.00 6.83 8.16 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 43 H 7.52 4.89 0.00 3.47 3.21 0.00 5.86 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.75 4.11 0.00 1.98 1.91 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 2.33 2.31 0.00 45 P 0.00 4.39 0.00 2.19 2.11 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 46 L 8.07 4.14 0.00 1.66 1.64 0.91 0.95 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 47 G 8.23 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 0.00 0.00 0.00 48 K 8.25 4.62 0.00 1.75 1.74 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.40 7.81 49 S 8.13 4.41 0.00 3.78 3.70 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 50 G 8.92 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 0.00 0.00 0.00 51 F 8.78 5.05 0.00 3.14 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 52 K 8.20 4.26 0.00 1.64 1.58 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.21 1.35 7.81 53 R 7.93 4.47 0.00 1.68 1.81 0.00 3.26 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.26 0.00 54 P 0.00 4.26 0.00 2.21 2.21 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 55 Q 8.96 3.89 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.07 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 56 K 7.96 4.41 0.00 1.86 1.90 0.00 1.51 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.42 7.81 57 V 8.01 4.30 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 0.84 0.00 0.00 0.94 0.00 0.00 58 Q 7.70 4.54 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.60 6.46 0.00 0.00 0.00 0.00 0.00 2.26 2.49 0.00 59 E 8.57 4.40 0.00 1.95 1.84 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 2.29 2.31 0.00 60 E 8.37 4.45 0.00 1.93 1.71 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 2.14 2.18 0.00 61 A 8.16 4.25 0.53 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 62 A 9.08 4.35 1.22 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 0.00 0.00 63 T 8.08 5.39 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 1.16 0.00 0.00 64 I 7.67 4.24 1.85 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 1.34 1.23 0.94 0.00 0.00 65 D 8.55 5.23 0.00 2.75 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 66 V 8.47 3.67 2.11 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 0.84 0.00 0.00 1.00 0.00 0.00 67 R 7.87 3.90 0.00 2.00 1.99 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 68 E 7.95 3.89 0.00 2.01 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 0.00 2.31 2.33 0.00 69 I 7.67 3.79 1.98 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.55 0.90 0.00 0.00 70 D 8.57 4.29 0.00 2.82 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 71 E 8.32 4.15 0.00 1.99 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 2.34 2.53 0.00 72 N 7.86 5.02 0.00 2.67 2.70 0.00 0.00 6.84 7.82 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 73 V 7.80 3.26 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 0.60 0.00 0.00 0.30 0.00 0.00 74 T 7.51 4.10 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 75 L 7.14 4.18 0.00 1.68 1.75 0.96 0.96 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 76 L 7.84 4.41 0.00 1.80 1.76 0.88 0.82 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 77 A 8.02 3.78 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 78 A 7.42 4.43 1.23 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 0.00 0.00 0.00 79 D 7.67 4.99 0.00 2.85 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 80 D 8.61 4.44 0.00 3.14 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 81 V 8.00 4.55 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 0.36 0.00 0.00 0.96 0.00 0.00 82 A 7.88 4.44 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 83 E 8.77 3.80 0.00 2.06 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 2.26 2.33 0.00 *89 F 7.84 4.83 0.00 3.37 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.93 5.22 0.00 1.83 1.82 0.00 3.22 0.00 0.00 3.47 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 91 V 8.78 4.50 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 0.72 0.00 0.00 0.95 0.00 0.00 92 D 8.74 4.87 0.00 2.73 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 93 V 8.60 3.64 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 0.97 0.00 0.00 1.02 0.00 0.00 94 R 7.33 3.95 0.00 2.06 2.00 0.00 3.22 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 1.67 1.68 0.00 95 D 8.08 4.57 0.00 2.80 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 96 V 7.66 3.89 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 0.79 0.00 0.00 0.94 0.00 0.00 97 V 7.27 3.62 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 0.83 0.00 0.00 0.98 0.00 0.00 98 E 8.61 4.28 0.00 2.05 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 2.37 2.31 0.00 99 E 8.60 3.95 0.00 2.08 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 2.19 2.27 0.00 100 A 7.43 4.47 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 0.00 101 D 7.72 4.66 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 0.00 102 D 7.94 4.08 0.00 2.76 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 0.00 103 A 7.08 4.35 1.21 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 0.00 0.00 104 D 8.84 4.63 0.00 2.59 2.60 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 0.00 105 Y 7.04 4.66 0.00 3.14 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 0.00 106 V 8.85 4.79 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 0.93 0.00 0.00 107 K 9.04 4.82 0.00 1.97 1.60 0.00 1.89 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.45 7.81 108 V 8.35 4.51 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 1.03 0.00 0.00 0.85 0.00 0.00 109 L 9.34 4.65 0.00 1.79 1.57 0.92 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.13 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.06 4.73 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 0.00 112 G 9.01 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 0.00 0.00 0.00 113 Q 8.09 4.50 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.95 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 114 V 7.78 4.50 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 1.28 0.00 0.00 0.95 0.00 0.00 115 R 8.67 4.45 0.00 1.67 1.80 0.00 3.23 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 116 H 7.72 4.83 0.00 3.12 3.32 0.00 5.69 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.71 4.78 0.00 1.94 2.04 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 2.29 2.23 0.00 118 L 8.54 5.00 0.00 1.60 1.58 0.99 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 119 T 8.72 5.14 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 1.23 0.00 0.00 120 L 8.29 5.19 0.00 1.77 1.83 1.06 0.82 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 0.00 121 I 8.90 5.62 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.28 1.06 0.00 0.00 122 A 8.63 4.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 8.58 4.47 0.00 2.68 2.55 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 0.00 124 D 7.17 4.62 0.00 2.56 2.41 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 0.00 125 F 8.60 5.45 0.00 2.88 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 0.00 126 S 8.57 4.65 0.00 3.90 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 0.00 127 E 9.12 4.05 0.00 2.08 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 0.00 2.55 2.41 0.00 128 G 8.12 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 0.00 0.00 0.00 129 A 7.92 4.10 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 0.00 130 R 8.26 3.77 0.00 2.04 1.92 0.00 3.15 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.62 0.00 131 E 8.12 3.91 0.00 2.19 2.04 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 2.34 2.64 0.00 132 K 8.07 3.99 0.00 1.84 1.87 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.66 7.81 133 V 7.65 3.65 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 1.05 0.00 0.00 1.04 0.00 0.00 134 E 8.19 4.85 0.00 1.98 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 2.42 2.11 0.00 135 G 8.21 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 0.00 136 A 7.82 4.46 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 0.00 137 G 8.41 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 0.00 138 G 7.45 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 0.00 139 S 8.79 5.02 0.00 3.84 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 0.00 140 V 8.20 4.34 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 -0.56 0.00 0.00 0.27 0.00 0.00 141 E 9.47 4.56 0.00 1.93 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 2.22 2.20 0.00 142 L 8.50 4.95 0.00 1.72 1.62 1.26 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.70 4.28 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 1.25 0.00 0.00 144 D 8.74 4.51 0.00 2.69 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 0.00 145 L 7.85 4.05 0.00 1.63 1.80 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.54 3.85 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 0.00 0.00 0.00 147 E 7.50 4.30 0.00 2.09 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 2.34 2.47 0.00 148 E 7.73 4.54 0.00 1.91 1.91 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 2.25 2.45 0.00 149 R 7.36 4.42 0.00 1.78 1.88 0.00 3.29 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 150 Q 7.60 4.27 0.00 1.95 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.65 0.00 0.00 0.00 0.00 0.00 2.09 2.18 0.00 * Residues marked with a * may have inaccurate shift predictions.