NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1812 8.3049 120.3419 55.8798 33.9628 174.9925 2 H 3.8281 9.3603 118.3312 56.4514 26.5896 173.1411 3 L 4.4074 7.3238 120.6765 52.9897 46.3230 175.1970 4 T 4.2515 8.3308 114.4769 60.4413 71.2487 173.9453 5 P 4.2130 0.0000 0.0000 66.0103 31.2739 178.7372 6 E 4.0078 8.0698 115.7100 59.3538 29.6402 178.9632 7 E 3.9453 7.7754 118.3556 59.0545 29.4863 179.3348 8 K 3.8816 8.0769 118.5578 59.5862 32.0049 179.6454 9 S 4.0930 8.0581 115.0651 61.3210 62.8249 176.5225 10 A 3.9743 8.0666 123.5605 55.0764 18.1531 179.7297 11 V 3.2422 7.7612 116.6130 66.4537 31.7094 178.2509 12 T 3.9410 8.0431 115.1515 66.6219 68.1069 176.3559 13 A 4.0295 8.0225 121.4699 55.2957 18.7417 179.2070 14 L 3.8819 7.9373 118.3464 57.8867 42.1762 178.8759 15 W 4.3705 8.7555 128.3199 59.9254 30.4210 177.9988 16 G 3.7998 8.0575 104.3057 46.6466 0.0000 174.7487 17 K 4.4894 7.5916 118.7048 55.1644 32.6845 176.2740 18 V 3.6935 6.8691 120.7930 61.8080 32.0996 175.7419 19 N 4.4778 8.3923 125.7481 52.6251 38.9385 175.1460 20 V 3.5283 8.2101 128.6030 66.1409 31.6131 177.4140 21 D 4.3102 8.0356 117.9682 57.2225 40.7914 178.1253 22 E 3.8258 8.6698 120.0224 59.4652 29.6724 179.1094 23 V 3.5514 7.8726 118.3216 65.5984 31.4734 178.2963 24 G 3.6601 8.3387 106.0009 47.7670 0.0000 176.0558 25 G 3.5954 8.0464 108.7474 47.2369 0.0000 175.4613 26 E 3.8808 8.3397 121.5263 58.9810 29.6961 178.8607 27 A 3.9080 8.2852 121.2740 55.0689 18.4663 179.4351 28 L 4.0205 8.0994 119.0904 57.8939 42.1370 179.4220 29 G 3.5052 8.1886 105.8520 47.9876 0.0000 176.0046 30 R 3.8945 8.1454 121.2555 58.4216 29.9977 178.8869 31 L 3.9923 7.9734 120.2600 58.3713 41.6342 179.2361 32 L 4.1123 7.8327 119.9050 56.6429 41.2044 179.7215 33 V 3.5904 7.2440 117.7207 65.8322 31.7664 178.0299 34 V 3.5173 8.0016 117.1027 64.4014 32.7545 175.5050 35 Y 3.9173 7.2480 116.1399 53.7885 37.9917 173.7841 36 P 4.5009 0.0000 0.0000 64.3205 31.6225 177.5553 37 W 4.4119 8.2337 114.9054 59.1059 28.0639 177.6304 38 T 4.3233 7.7333 110.2312 63.6182 68.3466 176.1264 39 Q 4.3841 8.2770 121.6741 58.1166 28.4882 177.9137 40 R 3.7383 7.4111 117.0307 59.0965 29.1267 177.8899 41 F 4.2328 6.9071 114.9247 57.4301 39.4416 176.0562 42 F 4.4112 7.6330 118.5657 56.8858 39.7158 177.5002 43 E 4.1401 8.1956 122.9361 59.0537 29.4817 179.1933 44 S 4.4659 8.0243 111.8925 60.1414 63.5562 175.2821 45 F 4.4818 8.2590 119.8061 59.0162 39.7663 175.7472 46 G 4.0480 7.4184 104.6373 43.8737 0.0000 174.9930 47 D 4.4911 8.6509 126.2638 54.3561 41.1453 175.5474 48 L 4.9270 8.3500 125.7618 54.4249 43.4298 177.9138 49 S 4.2796 8.3375 116.7074 60.8001 63.1784 174.5772 50 T 4.7494 7.4482 109.6128 58.2445 73.1147 172.7343 51 P 4.1955 0.0000 0.0000 65.8615 31.3044 178.7538 52 D 4.3044 8.0425 116.9665 57.2628 40.7781 178.4917 53 A 3.9974 8.0489 121.3070 55.0694 18.1528 179.8866 54 V 3.5359 7.7804 115.8528 66.5660 31.7425 178.0026 55 M 4.2852 8.1578 117.3140 57.6358 31.8705 178.0300 56 G 4.0063 7.8588 103.2184 43.5664 0.0000 173.2627 57 N 4.4508 7.5086 121.5153 52.6071 39.3625 173.9425 58 P 4.2989 0.0000 0.0000 65.5981 31.2913 178.7377 59 K 3.6009 8.4510 119.0949 59.0134 31.8721 179.3480 60 V 3.6986 7.8051 118.0002 65.9222 31.5443 177.9924 61 K 3.8818 8.0419 117.8913 59.4705 31.9610 179.0935 62 A 3.9752 7.9951 120.9642 55.5582 18.1936 179.2171 63 H 4.3643 8.7570 117.2929 59.1986 29.8548 177.6333 64 G 3.6280 8.4700 108.1435 47.8264 0.0000 175.8145 65 K 4.0206 8.1461 120.9243 58.9289 32.1798 179.4310 66 K 3.9642 7.9234 119.4939 59.4449 32.1900 179.1307 67 V 3.6207 7.9940 118.7185 66.1986 31.4942 178.0828 68 L 4.4073 8.4336 118.7843 57.1738 41.3495 179.7814 69 G 3.6927 8.4755 106.2575 47.8386 0.0000 175.7387 70 A 4.1064 7.8613 121.9824 54.6667 18.7724 179.2402 71 F 4.2973 8.3561 119.3225 61.3994 39.4936 177.1481 72 S 4.0012 8.7442 113.1717 61.8219 62.1231 176.0681 73 D 4.5311 8.5373 121.5021 57.1231 40.6251 178.8367 74 G 3.5511 7.8936 105.6072 46.8861 0.0000 175.4494 75 L 3.8564 7.2793 119.7663 56.5698 41.6732 178.3222 76 A 4.1453 7.3779 119.6979 53.1364 19.5386 176.9017 77 H 4.8801 7.6043 114.6580 54.9573 29.4488 175.7705 78 L 3.9943 7.8275 119.7937 57.6283 41.9487 178.8309 79 D 4.5755 7.8962 116.6909 55.8581 42.0807 175.8237 80 N 5.0134 7.9136 117.3448 51.4557 39.1251 174.8074 81 L 4.0738 7.7628 122.6654 57.8431 41.9074 179.4012 82 K 4.1195 8.1021 118.1828 59.4233 31.7988 179.4750 83 G 3.6040 7.7709 105.0631 48.1631 0.0000 175.6870 84 T 3.7971 7.5558 116.7777 65.2952 68.5486 175.8631 85 F 4.8004 7.8163 117.2061 56.9981 39.3077 177.3072 86 A 4.0671 7.5817 122.0233 55.9001 18.1575 180.5721 87 T 3.9415 7.8518 113.5917 66.6405 68.5317 177.0470 88 L 4.0975 7.9667 120.6380 57.5427 41.6795 179.2630 89 S 4.4097 8.4844 114.9967 61.0572 62.4009 176.0534 90 E 3.8983 8.2037 121.2527 59.2549 29.1804 179.1755 91 L 3.9181 8.1780 120.4187 58.6378 42.2361 178.8788 92 H 4.2295 8.7369 116.2885 58.6920 28.7069 176.9460 93 C 3.6089 7.6516 121.0066 62.0163 31.1722 175.2951 94 D 4.4047 8.3808 120.8391 56.5261 40.5753 177.5007 95 K 4.2795 7.7171 116.5307 57.4879 33.7061 177.3326 96 L 4.1541 7.8351 117.0440 54.9702 42.3247 176.2412 97 H 4.1745 7.2107 113.4257 56.6685 26.4900 175.2673 98 V 4.1112 8.2529 118.9599 61.1903 32.4437 174.8463 99 D 4.4224 8.8004 127.4024 53.6180 41.7803 175.1599 100 P 3.1765 0.0000 0.0000 64.8404 31.8266 177.9822 101 E 3.8651 8.1258 118.8374 59.3131 29.3165 178.4464 102 N 4.2924 8.0277 116.5552 56.3489 38.4576 177.3064 103 F 4.5117 7.2929 119.1699 60.6129 38.9492 177.9696 104 R 3.9900 7.8228 117.4110 59.0616 29.9361 178.8893 105 L 3.8115 7.9255 119.0051 57.4757 41.5541 179.2243 106 L 4.0583 8.1638 120.5109 58.0118 42.0434 179.0801 107 G 3.7295 8.2925 105.7919 47.8838 0.0000 175.6820 108 K 4.0206 8.0766 121.0644 59.1912 32.0368 179.6207 109 V 3.6122 7.8384 118.4735 65.8389 31.3587 177.7052 110 L 3.8437 8.3531 120.5089 58.1606 41.9115 179.1095 111 V 3.5275 7.8209 118.0875 66.3112 31.4998 177.7949 112 C 4.1175 8.1073 116.4507 62.7199 27.8241 176.3116 113 V 3.5244 7.8871 120.1369 65.9158 31.0419 178.1451 114 L 3.8124 7.8979 118.7306 57.5885 41.3507 179.3619 115 A 3.6661 7.3931 120.7344 55.1063 18.0251 179.2609 116 H 4.1547 7.9775 116.0488 59.7193 30.0536 176.9360 117 H 3.8659 8.1712 117.1675 58.0689 28.8654 176.9043 118 F 4.7626 8.3667 117.6208 56.1704 39.9279 177.3343 119 G 3.8262 8.7395 108.9957 45.9807 0.0000 177.4160 120 K 3.9691 8.9011 122.4697 59.2352 32.3358 177.7832 121 E 4.0936 8.1164 119.7668 58.4180 29.8997 176.9986 122 F 4.5399 8.2270 123.0827 57.0705 37.8397 175.3293 123 T 4.2278 7.4195 116.1301 60.0449 71.4146 173.5385 124 P 4.1495 0.0000 0.0000 65.4833 31.3004 177.2791 125 P 4.2632 0.0000 0.0000 65.2548 31.2840 178.8762 126 V 3.5385 7.3500 116.5392 65.8107 31.3940 177.8151 127 Q 3.5530 7.7301 119.2097 59.0556 28.7779 178.0106 128 A 4.0286 7.9908 121.4772 55.2556 18.3577 179.5409 129 A 3.9066 7.9822 119.0303 55.6288 18.4200 179.5779 130 Y 4.0156 8.3300 115.2285 61.1306 37.9161 178.7476 131 Q 4.1337 8.7653 119.7625 58.9484 28.8337 178.8976 132 K 4.0367 7.9796 119.3723 59.3097 31.9882 179.6849 133 V 3.5564 7.7074 118.6243 66.1170 31.4777 178.6287 134 V 3.8174 8.4118 112.2808 64.1389 31.2987 178.4962 135 A 4.1577 8.1799 121.0752 54.8372 18.1305 179.9262 136 G 3.4957 8.1752 104.3209 47.9859 0.0000 176.1240 137 V 3.3747 7.9681 121.0589 65.5215 31.3778 177.9864 138 A 3.9649 8.0232 120.5315 55.1215 18.0924 179.4336 139 N 4.3113 8.4386 115.0120 56.3517 38.4000 177.5272 140 A 4.0363 8.0130 121.4638 55.2295 18.3160 179.5143 141 L 3.9855 7.9918 116.8504 56.8812 41.5837 178.5893 142 A 4.4598 7.6784 119.7147 52.7371 19.1084 178.2537 143 H 4.1270 7.8669 116.8327 58.8452 29.9591 175.9377 144 K 4.4660 8.2783 115.9809 56.1985 32.2278 176.2779 145 Y 4.1444 8.0736 118.3811 58.2768 38.3858 175.6868 146 H 4.4832 8.3143 118.2372 56.0437 28.4919 173.1414 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 M 8.30 4.18 0.00 1.94 2.26 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 2 H 9.36 3.83 0.00 3.36 3.63 0.00 5.79 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.32 4.41 0.00 1.46 1.43 0.80 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.33 4.25 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 5 P 0.00 4.21 0.00 2.15 2.14 0.00 3.58 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 2.10 2.13 0.00 6 E 8.07 4.01 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 7 E 7.78 3.95 0.00 2.18 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 8 K 8.08 3.88 0.00 1.89 1.79 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.39 7.81 9 S 8.06 4.09 0.00 4.01 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 10 A 8.07 3.97 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.76 3.24 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 0.60 0.00 0.00 0.44 0.00 0.00 12 T 8.04 3.94 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 13 A 8.02 4.03 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 14 L 7.94 3.88 0.00 1.86 1.94 0.25 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.76 4.37 0.00 3.85 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 16 G 8.06 3.80 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 0.00 0.00 0.00 17 K 7.59 4.49 0.00 2.01 2.04 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.59 7.81 18 V 6.87 3.69 1.02 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 -0.06 0.00 0.00 0.72 0.00 0.00 19 N 8.39 4.48 0.00 2.73 2.63 0.00 0.00 6.82 7.71 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 20 V 8.21 3.53 2.13 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 1.26 0.00 0.00 1.01 0.00 0.00 21 D 8.04 4.31 0.00 2.95 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 22 E 8.67 3.83 0.00 1.97 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 2.28 2.28 0.00 23 V 7.87 3.55 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 0.92 0.00 0.00 0.59 0.00 0.00 24 G 8.34 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.05 3.60 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 0.00 0.00 0.00 26 E 8.34 3.88 0.00 2.18 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 0.00 2.28 2.32 0.00 27 A 8.29 3.91 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 28 L 8.10 4.02 0.00 1.74 1.61 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.19 3.51 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 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.15 3.89 0.00 1.87 1.91 0.00 3.07 0.00 0.00 3.01 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 31 L 7.97 3.99 0.00 1.88 1.87 1.01 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.83 4.11 0.00 2.02 1.68 0.95 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.24 3.59 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 0.71 0.00 0.00 0.94 0.00 0.00 34 V 8.00 3.52 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 0.02 0.00 0.00 0.76 0.00 0.00 35 Y 7.25 3.92 0.00 2.59 1.43 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 0.00 36 P 0.00 4.50 0.00 2.28 2.16 0.00 3.94 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 2.17 2.15 0.00 37 W 8.23 4.41 0.00 3.50 3.41 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 38 T 7.73 4.32 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 1.13 0.00 0.00 39 Q 8.28 4.38 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 40 R 7.41 3.74 0.00 1.57 1.97 0.00 2.99 0.00 0.00 2.59 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.50 0.00 41 F 6.91 4.23 0.00 1.58 2.45 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 42 F 7.63 4.41 0.00 2.83 2.13 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 43 E 8.20 4.14 0.00 2.02 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 2.39 2.24 0.00 44 S 8.02 4.47 0.00 4.12 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.26 4.48 0.00 3.28 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 46 G 7.42 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 47 D 8.65 4.49 0.00 2.66 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 48 L 8.35 4.93 0.00 1.66 1.62 1.02 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.34 4.28 0.00 3.97 4.01 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 0.00 0.00 0.00 50 T 7.45 4.75 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 51 P 0.00 4.20 0.00 2.15 2.11 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 52 D 8.04 4.30 0.00 2.67 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 53 A 8.05 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.78 3.54 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.99 0.00 0.00 55 M 8.16 4.29 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.88 0.00 56 G 7.86 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.51 4.45 0.00 2.95 2.84 0.00 0.00 6.86 8.85 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 58 P 0.00 4.30 0.00 2.24 2.26 0.00 3.72 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 59 K 8.45 3.60 0.00 1.78 0.74 0.00 1.41 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.01 1.06 7.81 60 V 7.81 3.70 2.24 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 1.05 0.00 0.00 1.07 0.00 0.00 61 K 8.04 3.88 0.00 1.97 1.81 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.61 7.81 62 A 8.00 3.98 1.30 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 0.00 0.00 63 H 8.76 4.36 0.00 3.57 3.48 0.00 5.80 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 64 G 8.47 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 65 K 8.15 4.02 0.00 1.98 1.98 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.71 7.81 66 K 7.92 3.96 0.00 2.01 2.00 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.51 7.81 67 V 7.99 3.62 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 1.00 0.00 0.00 0.87 0.00 0.00 68 L 8.43 4.41 0.00 1.95 1.92 1.04 1.04 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 69 G 8.48 3.69 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 0.00 0.00 0.00 70 A 7.86 4.11 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 71 F 8.36 4.30 0.00 3.19 3.29 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 72 S 8.74 4.00 0.00 4.58 4.25 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 73 D 8.54 4.53 0.00 2.86 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 74 G 7.89 3.55 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 0.00 75 L 7.28 3.86 0.00 1.45 1.42 -0.40 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.38 4.15 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 0.00 0.00 0.00 0.00 0.00 77 H 7.60 4.88 0.00 3.12 3.15 0.00 5.82 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 78 L 7.83 3.99 0.00 1.50 1.64 0.73 1.00 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 79 D 7.90 4.58 0.00 2.63 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 80 N 7.91 5.01 0.00 2.71 2.59 0.00 0.00 7.04 6.43 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 81 L 7.76 4.07 0.00 1.76 1.85 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.10 4.12 0.00 1.74 1.77 0.00 1.15 0.00 0.00 1.68 0.00 0.00 2.74 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.48 1.46 7.81 83 G 7.77 3.60 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 0.00 0.00 0.00 84 T 7.56 3.80 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 0.42 0.00 0.00 85 F 7.82 4.80 0.00 3.14 2.91 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 86 A 7.58 4.07 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.85 3.94 4.25 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 1.22 0.00 0.00 88 L 7.97 4.10 0.00 2.01 1.83 1.15 0.94 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 89 S 8.48 4.41 0.00 4.09 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 0.00 90 E 8.20 3.90 0.00 2.23 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 2.46 0.00 91 L 8.18 3.92 0.00 1.82 1.88 0.91 1.09 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 92 H 8.74 4.23 0.00 3.68 3.72 0.00 5.86 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.65 3.61 0.00 1.23 2.47 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 94 D 8.38 4.40 0.00 2.68 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 95 K 7.72 4.28 0.00 1.79 1.79 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.35 7.81 96 L 7.84 4.15 0.00 1.71 1.62 0.67 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.21 4.17 0.00 3.52 3.43 0.00 5.64 0.00 0.00 0.00 0.00 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.25 4.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.43 0.00 0.00 99 D 8.80 4.42 0.00 2.78 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 0.00 100 P 0.00 3.18 0.00 1.91 1.79 0.00 3.36 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.46 0.00 101 E 8.13 3.87 0.00 2.05 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 2.42 0.00 102 N 8.03 4.29 0.00 2.49 2.77 0.00 0.00 6.95 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 0.00 103 F 7.29 4.51 0.00 3.11 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 0.00 104 R 7.82 3.99 0.00 1.98 1.97 0.00 3.24 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 105 L 7.93 3.81 0.00 1.73 1.35 0.78 -0.27 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 0.00 106 L 8.16 4.06 0.00 1.90 1.88 0.92 0.88 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 0.00 107 G 8.29 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 0.00 108 K 8.08 4.02 0.00 2.06 1.97 0.00 1.69 0.00 0.00 1.53 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.48 7.81 109 V 7.84 3.61 2.24 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 1.08 0.00 0.00 1.11 0.00 0.00 110 L 8.35 3.84 0.00 1.69 1.79 0.90 0.31 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 0.00 111 V 7.82 3.53 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 1.16 0.00 0.00 112 C 8.11 4.12 0.00 3.15 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 0.00 113 V 7.89 3.52 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 0.91 0.00 0.00 0.86 0.00 0.00 114 L 7.90 3.81 0.00 0.97 1.17 0.60 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.39 3.67 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 0.00 116 H 7.98 4.15 0.00 3.16 3.42 0.00 5.78 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.17 3.87 0.00 2.82 2.31 0.00 5.88 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.37 4.76 0.00 3.22 3.12 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 0.00 119 G 8.74 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 0.00 120 K 8.90 3.97 0.00 1.92 2.02 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.49 7.81 121 E 8.12 4.09 0.00 2.11 2.26 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 2.34 2.29 0.00 122 F 8.23 4.54 0.00 3.09 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 0.00 123 T 7.42 4.23 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 1.28 0.00 0.00 124 P 0.00 4.15 0.00 2.16 2.14 0.00 3.58 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 2.11 2.19 0.00 125 P 0.00 4.26 0.00 2.12 2.06 0.00 3.55 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 2.09 2.11 0.00 126 V 7.35 3.54 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 0.97 0.00 0.00 0.90 0.00 0.00 127 Q 7.73 3.55 0.00 1.71 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 128 A 7.99 4.03 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 0.00 129 A 7.98 3.91 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 0.00 130 Y 8.33 4.02 0.00 3.33 3.26 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 0.00 131 Q 8.77 4.13 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.77 2.62 0.00 132 K 7.98 4.04 0.00 1.92 1.85 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.62 7.81 133 V 7.71 3.56 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 0.95 0.00 0.00 0.79 0.00 0.00 134 V 8.41 3.82 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.13 0.00 0.00 135 A 8.18 4.16 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 0.00 136 G 8.18 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 0.00 137 V 7.97 3.37 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 0.55 0.00 0.00 0.79 0.00 0.00 138 A 8.02 3.96 1.46 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 0.00 0.00 139 N 8.44 4.31 0.00 2.90 2.89 0.00 0.00 6.87 7.02 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 0.00 140 A 8.01 4.04 1.46 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 0.00 0.00 141 L 7.99 3.99 0.00 1.07 0.85 -0.07 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.68 4.46 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 0.00 143 H 7.87 4.13 0.00 3.32 3.56 0.00 5.74 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.28 4.47 0.00 1.86 1.86 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.13 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.46 1.47 7.81 145 Y 8.07 4.14 0.00 3.10 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 H 8.31 4.48 0.00 3.20 3.24 0.00 5.75 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