NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3311 8.2649 123.5853 52.5228 19.7297 177.1289 3 R 4.3348 8.2489 109.4687 54.5199 29.6266 177.3637 4 I 4.1759 7.7840 128.9112 59.5025 38.0468 178.2235 5 A 3.9019 9.1649 132.4949 54.8769 19.7994 178.9087 6 G 4.0084 9.5178 111.2646 46.5667 0.0000 174.3921 7 V 4.4447 8.7174 116.6204 62.2801 32.4951 174.1035 8 E 4.5031 8.6553 119.7384 54.6610 30.3853 176.3034 9 I 4.5496 8.3399 125.5693 59.2185 38.6897 173.5125 10 P 4.9657 0.0000 0.0000 64.2196 32.2462 175.4481 11 R 3.7229 7.6338 117.3544 55.9190 31.6793 175.6812 12 N 4.2853 8.8571 115.1545 53.9511 35.3960 174.2222 13 K 4.6258 7.5533 115.8108 53.9600 35.5912 176.2762 14 R 4.2447 8.5239 119.0801 55.6792 29.6429 177.5648 15 V 3.5279 8.7568 114.4788 64.9013 31.5772 177.8859 16 D 4.5160 8.0509 115.6924 54.6914 39.0638 176.2847 17 V 4.0484 7.4541 117.8802 63.5376 33.0132 176.5820 18 A 3.9382 8.6052 121.1041 55.3748 18.3082 179.2451 19 L 3.8440 7.5767 115.8320 57.1386 41.3458 179.5045 20 T 4.3777 8.6336 118.5091 66.2595 68.1603 175.8590 21 Y 4.6603 6.8257 116.4717 59.9612 38.2765 176.6553 22 I 4.0293 7.5091 121.7199 61.0842 37.8962 174.9925 23 Y 4.6505 8.5579 125.0126 61.6047 37.6887 175.5686 24 G 3.7923 9.4455 115.7392 45.0711 0.0000 171.9623 25 I 4.4030 8.1375 120.5926 59.4308 40.7047 174.7832 26 G 4.5761 8.2613 113.4127 42.5391 0.0000 172.7591 27 K 3.7992 8.7330 118.3423 60.3599 31.5647 177.3078 28 A 4.1445 8.0284 120.9133 54.6494 18.5011 178.7459 29 R 4.2379 7.7051 112.5587 57.6912 30.0666 178.4826 30 A 4.2710 7.8010 121.4664 54.1848 19.0660 179.3188 31 K 3.9647 8.4967 115.5047 60.6715 32.3681 178.6967 32 E 3.6724 8.5920 116.6343 59.8748 29.1414 178.5019 33 A 4.3703 8.7280 119.9714 55.5568 18.2282 178.9661 34 L 4.7087 8.1113 115.1487 55.1226 41.5621 178.0418 35 E 4.2185 8.3082 119.4600 57.6176 31.1728 177.3353 36 K 4.4756 6.9522 117.3092 55.8890 32.1603 177.5499 37 T 4.1866 7.9216 106.1624 61.5675 73.8539 173.7044 38 G 3.8766 7.5931 108.5138 46.7249 0.0000 172.1974 39 I 4.3849 7.3354 118.4535 59.2137 40.2952 175.4516 40 N 4.0461 8.9506 122.9541 53.6782 39.0892 172.4416 41 P 4.2735 0.0000 0.0000 65.7118 31.6754 177.8770 42 A 4.4386 7.6831 123.6567 51.5414 17.5025 177.3986 43 T 4.2449 7.5792 119.0652 60.9723 71.6777 174.2513 44 R 4.7142 8.1218 119.1163 54.7301 34.1843 175.0880 45 V 3.7134 7.6995 117.4902 65.5875 31.1261 177.0635 46 K 3.8438 7.4272 118.8854 58.6935 32.6305 175.6520 47 D 4.3463 8.1314 130.9898 53.7071 39.0775 176.1036 48 L 4.5144 7.5494 124.6225 56.3204 42.0837 173.4917 49 T 4.6008 9.2182 117.3469 61.8620 70.4691 176.2893 50 E 3.8985 8.5866 122.6044 59.3630 29.6574 178.9394 51 A 4.0856 8.0287 120.2010 53.6203 18.9905 178.3013 52 E 4.3578 7.8541 115.1001 57.8856 30.2167 178.2261 53 V 3.5402 7.8410 118.3568 65.9925 31.6565 177.9412 54 V 3.5940 8.4716 118.7375 66.2615 31.2746 177.7074 55 R 3.8630 7.4899 118.2752 59.5255 29.7525 178.1610 56 L 3.9237 8.1150 120.2520 58.2335 42.3449 178.8318 57 R 4.0875 9.2969 118.2115 58.2916 29.7360 178.2576 58 E 3.9509 8.4586 118.3748 60.4361 29.6093 177.7994 59 Y 4.0944 7.7391 118.7385 59.8988 39.1413 177.8062 60 V 2.5482 8.3812 113.9816 67.3589 31.4754 176.9441 61 E 4.3187 6.8668 115.5362 57.1924 29.7158 177.3000 62 N 4.7968 7.8013 115.1125 53.5212 38.8230 174.5831 63 T 4.0679 6.8971 110.3173 62.2276 71.9287 177.2190 64 W 4.9169 6.3104 124.2642 54.8220 31.0559 174.7844 65 K 4.4624 8.7271 116.7418 55.6469 34.0072 173.9584 66 L 4.0381 9.7451 124.0225 54.6000 42.2267 168.8886 67 E 4.0927 8.1849 134.8232 57.0824 31.3554 177.5388 68 G 3.2279 9.1077 110.3813 44.0372 0.0000 173.5725 69 E 5.7371 9.2104 133.4025 56.5909 32.3795 179.1792 70 L 3.0241 7.6743 126.7532 55.2623 45.0207 175.8819 71 R 4.7336 8.6505 118.2966 59.3387 30.4049 178.3911 72 A 4.0067 8.7160 120.6181 55.1560 18.0821 179.0595 73 E 3.8463 7.8152 116.4832 59.4333 29.6089 178.7644 74 V 3.5898 7.8239 117.9735 66.2714 31.1415 177.5881 75 A 3.9524 7.9652 119.2888 55.2190 18.2893 178.9992 76 A 4.0071 8.6148 119.8651 55.6713 18.1656 179.4034 77 N 4.2318 8.9460 113.7654 56.6449 38.9974 177.2229 78 I 3.7992 7.8877 120.9533 65.1594 37.2659 177.7742 79 K 3.6691 9.2304 118.6002 59.9100 31.8507 178.6762 80 R 3.8690 8.5268 118.6451 59.8593 30.2120 178.3476 81 L 4.0734 7.7831 117.8080 56.7888 41.5055 178.5776 82 M 4.0107 8.1593 117.0499 55.4233 31.7896 180.6942 83 D 3.7169 8.8988 115.0446 53.5660 42.4224 174.9267 84 I 4.6764 8.3105 119.9708 60.1423 42.8359 174.4023 85 G 3.7234 10.4712 117.6349 44.6336 0.0000 174.6998 86 C 4.0339 8.9918 118.3077 59.2657 29.7938 171.2231 87 Y 4.4627 8.1648 123.6500 60.4195 38.9691 178.6494 88 R 3.4730 8.0197 118.7378 58.9778 30.7769 177.4132 89 G 4.0796 8.4498 106.7979 47.8307 0.0000 174.5007 90 L 4.4329 7.2470 119.2031 55.1160 41.8367 178.6042 91 R 4.2161 8.6739 118.1820 58.1023 29.5525 177.6956 92 H 4.3959 9.7626 113.6270 57.4717 29.7751 177.4403 93 R 3.9916 7.4851 117.7791 58.4086 29.9277 176.8132 94 R 4.3949 7.9181 114.4888 55.2017 31.3120 175.7023 95 G 3.7447 7.6345 103.2940 46.8625 0.0000 173.4479 96 L 4.4479 7.8941 121.2058 51.9157 41.8082 174.4528 97 P 4.4196 0.0000 0.0000 62.5840 31.9443 176.4612 98 V 4.1387 8.2933 120.0501 62.9204 32.1642 175.4922 99 R 4.3038 7.9253 116.7645 56.4989 30.2351 174.4407 100 G 3.8613 8.2891 112.0935 45.8132 0.0000 173.5304 101 Q 4.5105 8.0720 122.6369 53.6906 32.9450 175.5275 102 R 4.0682 8.5686 121.0831 56.8672 28.6365 177.3672 103 T 4.1498 8.2189 111.8312 62.6378 69.0608 175.9908 104 R 4.1305 7.9516 122.7155 59.0479 31.0991 176.2605 105 T 4.4472 7.3090 110.7948 61.0224 69.1653 173.4760 106 N 3.8984 8.1523 116.8833 52.7623 38.8806 173.5925 107 A 4.5833 8.8439 127.5534 52.3463 21.8029 178.5745 108 R 3.8274 7.5631 116.4453 59.7851 30.6159 178.6157 109 T 3.8751 7.7209 113.5102 66.4891 68.7048 175.7258 110 R 4.6695 7.9721 118.2732 54.3925 30.5386 176.7990 111 K 4.2795 8.2260 118.3040 54.9891 35.5862 175.0093 112 G 3.5201 8.8422 115.9272 45.5019 0.0000 170.6917 113 P 3.8328 0.0000 0.0000 62.4181 29.5015 172.2341 114 R 3.7517 7.9039 122.2523 56.7308 29.6789 177.2362 115 K 4.1260 8.8250 120.5351 57.0372 33.4502 179.9076 116 T 3.0882 8.8034 116.8299 63.5374 68.9938 175.3907 117 V 3.2435 8.8661 130.2187 63.5042 32.4704 170.5324 118 A 4.3456 7.3006 122.7284 53.9987 21.4119 175.7190 119 G 4.1746 7.9771 106.9324 45.8049 0.0000 173.2323 120 K 4.4072 8.0717 118.9999 54.5397 33.6914 175.6513 121 K 4.4309 8.2329 125.8573 55.9314 34.2902 175.3726 122 K 4.4298 8.1428 117.7396 56.5504 35.9701 174.3148 123 A 4.8336 8.2191 122.5235 49.8525 21.6396 174.9333 124 P 4.7775 0.0000 0.0000 60.1508 31.0803 178.5856 125 R 3.5088 8.6705 111.7453 57.4875 27.3404 176.5504 *126 K 4.1215 7.7058 121.3106 54.8731 32.4047 177.6417 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 A 8.26 4.33 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 3 R 8.25 4.33 0.00 1.90 1.92 0.00 3.23 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 4 I 7.78 4.18 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.65 0.94 0.00 0.00 5 A 9.16 3.90 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 6 G 9.52 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 7 V 8.72 4.44 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 0.89 0.00 0.00 0.95 0.00 0.00 8 E 8.66 4.50 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 9 I 8.34 4.55 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.74 0.96 0.00 0.00 10 P 0.00 4.97 0.00 2.24 2.35 0.00 3.85 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.08 0.00 11 R 7.63 3.72 0.00 1.94 1.89 0.00 3.29 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 12 N 8.86 4.29 0.00 2.86 2.89 0.00 0.00 6.73 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.55 4.63 0.00 2.04 1.65 0.00 2.08 0.00 0.00 2.04 0.00 0.00 3.20 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.76 7.81 14 R 8.52 4.24 0.00 2.31 2.29 0.00 3.16 0.00 0.00 3.29 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 15 V 8.76 3.53 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 0.84 0.00 0.00 1.02 0.00 0.00 16 D 8.05 4.52 0.00 2.77 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 17 V 7.45 4.05 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 1.03 0.00 0.00 0.89 0.00 0.00 18 A 8.61 3.94 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.58 3.84 0.00 1.75 1.75 0.97 0.57 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 20 T 8.63 4.38 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 1.24 0.00 0.00 21 Y 6.83 4.66 0.00 2.84 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 22 I 7.51 4.03 2.20 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.36 1.04 0.00 0.00 23 Y 8.56 4.65 0.00 3.04 3.01 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 24 G 9.45 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 25 I 8.14 4.40 2.08 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 1.03 0.00 0.00 26 G 8.26 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.73 3.80 0.00 1.87 1.86 0.00 1.71 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.61 7.81 28 A 8.03 4.14 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 29 R 7.71 4.24 0.00 1.77 2.04 0.00 2.69 0.00 0.00 2.25 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.41 0.00 30 A 7.80 4.27 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 31 K 8.50 3.96 0.00 1.86 1.92 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.68 7.81 32 E 8.59 3.67 0.00 2.32 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 0.00 2.46 2.71 0.00 33 A 8.73 4.37 1.59 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 0.00 0.00 34 L 8.11 4.71 0.00 1.91 1.67 0.99 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.31 4.22 0.00 2.07 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 2.40 2.14 0.00 36 K 6.95 4.48 0.00 0.79 1.24 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.30 1.51 7.81 37 T 7.92 4.19 4.15 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 0.97 0.00 0.00 38 G 7.59 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 39 I 7.34 4.38 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.81 0.90 0.00 0.00 40 N 8.95 4.05 0.00 2.64 2.78 0.00 0.00 7.26 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 41 P 0.00 4.27 0.00 2.08 2.08 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 42 A 7.68 4.44 1.25 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 0.00 0.00 43 T 7.58 4.24 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 1.21 0.00 0.00 44 R 8.12 4.71 0.00 1.96 1.83 0.00 3.38 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 45 V 7.70 3.71 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 0.80 0.00 0.00 0.99 0.00 0.00 46 K 7.43 3.84 0.00 1.91 1.77 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.44 7.81 47 D 8.13 4.35 0.00 2.78 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 48 L 7.55 4.51 0.00 1.87 1.68 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 49 T 9.22 4.60 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 1.24 0.00 0.00 50 E 8.59 3.90 0.00 1.99 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 2.40 2.25 0.00 51 A 8.03 4.09 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 52 E 7.85 4.36 0.00 2.11 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 2.34 0.00 53 V 7.84 3.54 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 1.00 0.00 0.00 1.01 0.00 0.00 54 V 8.47 3.59 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 0.93 0.00 0.00 0.99 0.00 0.00 55 R 7.49 3.86 0.00 2.06 2.09 0.00 3.12 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 56 L 8.11 3.92 0.00 1.98 1.79 0.95 0.72 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 57 R 9.30 4.09 0.00 2.00 1.90 0.00 3.38 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 58 E 8.46 3.95 0.00 2.12 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 2.46 2.45 0.00 59 Y 7.74 4.09 0.00 2.73 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 60 V 8.38 2.55 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 1.07 0.00 0.00 1.04 0.00 0.00 61 E 6.87 4.32 0.00 1.97 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 2.31 2.26 0.00 62 N 7.80 4.80 0.00 2.54 2.82 0.00 0.00 6.89 7.34 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 63 T 6.90 4.07 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 0.52 0.00 0.00 64 W 6.31 4.92 0.00 3.25 3.24 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 65 K 8.73 4.46 0.00 1.87 1.85 0.00 1.55 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.30 1.35 7.81 66 L 9.75 4.04 0.00 1.92 2.09 1.21 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.18 4.09 0.00 2.30 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 2.32 2.40 0.00 68 G 9.11 3.23 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 0.00 69 E 9.21 5.74 0.00 2.07 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 2.07 2.04 0.00 70 L 7.67 3.02 0.00 1.73 1.25 0.17 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.65 4.73 0.00 2.50 2.27 0.00 3.32 0.00 0.00 3.48 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 72 A 8.72 4.01 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 73 E 7.82 3.85 0.00 2.24 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 2.45 2.32 0.00 74 V 7.82 3.59 2.40 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 1.06 0.00 0.00 1.01 0.00 0.00 75 A 7.97 3.95 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 76 A 8.61 4.01 1.37 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 77 N 8.95 4.23 0.00 2.63 2.88 0.00 0.00 7.15 7.33 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 78 I 7.89 3.80 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 1.52 1.01 0.94 0.00 0.00 79 K 9.23 3.67 0.00 1.79 1.80 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.76 7.81 80 R 8.53 3.87 0.00 1.87 2.14 0.00 3.10 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 81 L 7.78 4.07 0.00 1.78 1.64 0.81 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 82 M 8.16 4.01 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.68 0.00 83 D 8.90 3.72 0.00 2.84 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 84 I 8.31 4.68 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 1.35 0.83 0.92 0.00 0.00 85 G 10.47 3.72 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 0.00 0.00 0.00 86 C 8.99 4.03 0.00 3.35 3.04 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 87 Y 8.16 4.46 0.00 3.01 3.01 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 88 R 8.02 3.47 0.00 1.69 1.85 0.00 3.25 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 89 G 8.45 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 0.00 0.00 0.00 0.00 90 L 7.25 4.43 0.00 1.91 1.66 1.07 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.67 4.22 0.00 1.99 2.28 0.00 3.66 0.00 0.00 3.34 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.33 0.00 92 H 9.76 4.40 0.00 3.60 3.33 0.00 5.82 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.49 3.99 0.00 1.90 1.98 0.00 3.26 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 94 R 7.92 4.39 0.00 1.78 1.90 0.00 3.41 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 95 G 7.63 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 0.00 0.00 0.00 96 L 7.89 4.45 0.00 1.73 1.64 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 97 P 0.00 4.42 0.00 2.16 2.02 0.00 3.72 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 1.98 1.93 0.00 98 V 8.29 4.14 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 0.78 0.00 0.00 0.96 0.00 0.00 99 R 7.93 4.30 0.00 1.82 1.91 0.00 3.40 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 1.55 1.60 0.00 100 G 8.29 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 8.07 4.51 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 7.19 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 102 R 8.57 4.07 0.00 1.88 1.92 0.00 3.13 0.00 0.00 3.39 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 103 T 8.22 4.15 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 1.28 0.00 0.00 104 R 7.95 4.13 0.00 1.80 2.02 0.00 3.18 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 105 T 7.31 4.45 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 1.21 0.00 0.00 106 N 8.15 3.90 0.00 2.74 2.80 0.00 0.00 6.72 7.45 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 0.00 107 A 8.84 4.58 1.25 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 0.00 0.00 108 R 7.56 3.83 0.00 1.93 1.98 0.00 3.22 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 109 T 7.72 3.88 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 1.20 0.00 0.00 110 R 7.97 4.67 0.00 1.69 1.84 0.00 3.13 0.00 0.00 3.11 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 111 K 8.23 4.28 0.00 1.64 1.63 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.38 7.81 112 G 8.84 3.52 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 0.00 113 P 0.00 3.83 0.00 2.26 2.11 0.00 3.98 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.96 0.00 114 R 7.90 3.75 0.00 1.89 1.95 0.00 3.12 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 115 K 8.83 4.13 0.00 1.74 1.84 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.46 7.81 116 T 8.80 3.09 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 1.21 0.00 0.00 117 V 8.87 3.24 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 0.74 0.00 0.00 1.04 0.00 0.00 118 A 7.30 4.35 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 G 7.98 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 0.00 0.00 0.00 120 K 8.07 4.41 0.00 1.71 1.74 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.35 7.81 121 K 8.23 4.43 0.00 1.74 1.78 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.45 7.81 122 K 8.14 4.43 0.00 1.69 1.70 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.43 7.81 123 A 8.22 4.83 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 0.00 124 P 0.00 4.78 0.00 2.19 1.66 0.00 3.92 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 125 R 8.67 3.51 0.00 1.92 1.98 0.00 3.24 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 *126 K 7.71 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.