NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 L 4.3363 8.1849 120.6304 54.4108 43.1328 175.6324 7 V 3.8375 8.0342 113.3862 59.8558 32.6330 174.2644 8 P 4.5271 0.0000 0.0000 62.9088 33.5040 175.0823 9 T 5.0399 8.3521 118.8798 62.6036 70.6953 174.1019 10 V 4.7099 8.7104 116.9829 60.1184 36.5430 174.4017 11 I 4.6573 8.0724 119.7747 60.0407 40.8383 175.1440 *20 A 4.8315 8.2362 123.8652 52.3620 19.1346 175.8138 21 F 5.0534 8.5125 119.5395 56.1841 42.9861 175.3354 22 D 5.0090 8.6613 120.4866 53.0108 40.8069 177.1185 23 I 3.6015 8.3017 119.0157 64.5520 37.7479 177.7566 24 Y 4.3092 7.7974 117.0746 61.0825 37.7810 178.3053 25 S 4.2004 9.3356 116.6287 61.5519 62.7421 176.6764 26 R 3.3778 7.8270 120.3026 59.3717 30.0786 178.3546 27 L 4.1494 8.1011 118.7420 57.5601 41.5092 179.0998 28 L 4.2316 8.2674 120.6937 58.0886 41.7166 178.9122 29 K 4.0403 7.7750 118.3627 58.6429 31.9864 177.5176 30 E 4.5659 8.0769 117.2872 55.4435 30.1960 175.7768 31 R 3.9492 8.3725 117.2288 57.5891 27.9330 175.3934 32 I 5.0981 8.0147 118.0878 59.7258 39.0621 175.5079 33 V 4.5523 9.2016 127.2131 61.0236 34.5508 173.9680 34 F 5.5929 9.0236 125.4122 55.7722 41.3830 174.5072 35 L 4.7634 9.3030 126.2871 53.5850 43.6880 174.6081 36 N 5.1663 8.9137 125.1801 53.8302 41.6351 174.4098 37 G 3.8532 9.3189 116.0197 43.9222 0.0000 171.6407 38 E 4.4679 8.3676 116.6507 56.3947 30.6897 177.0896 39 V 4.0881 8.8285 123.2534 62.7027 32.6296 174.4854 40 N 5.2564 9.1224 125.9268 50.7484 40.9943 174.8105 41 D 4.3506 8.8600 117.1550 57.8437 40.8291 178.4306 42 H 4.1640 8.2561 118.4737 59.3918 29.9724 177.4311 43 S 4.1178 8.6887 116.0642 61.1071 62.8819 176.2514 44 A 3.9549 8.2466 124.5225 55.0990 18.1450 179.0070 45 N 4.2198 8.1784 115.5223 56.8414 38.9293 176.9406 46 L 3.9149 7.7535 120.0517 57.7181 41.6304 179.6560 47 V 3.6208 7.5437 117.8719 66.1203 31.4621 178.1158 48 I 3.6133 7.8682 119.3038 64.3331 36.8312 178.3322 49 A 4.0225 8.3326 121.9421 55.2191 18.1999 179.7344 50 Q 4.0265 8.1110 116.6386 58.9828 28.7635 179.0112 51 L 3.9263 8.1088 120.1457 57.7771 41.7169 179.3524 52 L 3.9955 8.0153 118.9339 57.9027 41.6217 179.2872 53 F 4.1827 8.5357 120.6404 61.5535 39.2006 177.2549 54 L 3.7072 8.0535 118.4454 57.5489 41.1751 179.0430 55 E 3.9408 8.0326 118.5688 59.1527 29.5888 178.4947 56 S 4.1496 7.7177 112.4342 61.2980 62.5137 175.7571 57 E 4.0780 7.3836 119.9925 57.8925 29.2582 177.2832 58 D 4.3495 7.8996 119.9895 52.8481 43.7141 173.5154 59 P 4.3985 0.0000 0.0000 63.6317 31.7989 176.1554 60 D 4.7855 8.3516 117.9393 54.2301 42.6405 176.3497 61 K 4.3765 7.3305 119.0405 55.2238 32.9594 176.8000 62 D 4.5113 8.6897 123.5481 55.2085 41.5715 175.9384 63 I 4.2868 8.2880 121.9465 59.6831 40.4928 174.2470 64 Y 4.8608 8.8999 123.6580 56.3103 40.5125 174.6313 65 F 5.5084 9.0374 127.9559 56.6877 41.6263 173.3839 66 Y 4.8610 9.2008 125.5765 57.2992 39.4799 174.8589 67 I 4.7781 9.0593 124.9103 59.6141 40.7535 174.4816 68 N 5.2303 9.4127 125.7101 52.3475 41.1122 172.1566 69 S 5.1431 9.4037 119.1687 55.8640 66.3658 172.1810 70 P 4.5788 0.0000 0.0000 62.6436 32.3029 177.4801 71 G 3.8270 7.4321 107.1503 45.9565 0.0000 173.5931 72 G 4.2326 8.6634 113.7631 46.9661 0.0000 174.2923 *74 V 4.1527 7.5617 120.2731 62.9810 33.1886 177.2924 75 T 3.9191 8.0932 107.6373 64.6800 68.6284 175.0735 76 A 4.1529 8.2739 125.0856 54.9044 18.7186 180.8431 77 G 3.6173 7.6963 104.3986 45.5470 0.0000 176.0533 *79 G 3.8678 8.3040 110.1250 45.2362 0.0000 176.2697 80 V 3.5817 7.4822 117.3034 65.6840 31.5207 177.2157 81 Y 4.1692 8.0209 118.2208 60.9654 39.0489 177.4373 82 D 4.5776 8.3286 119.3046 57.3992 40.9531 179.2713 83 T 4.0155 7.9494 115.6714 63.8596 68.2475 176.2803 *85 Q 4.1654 8.1043 121.5838 55.8556 30.9640 176.9274 86 F 4.3355 8.2179 119.7688 60.7933 39.6040 176.0829 87 I 3.9060 7.5403 112.5647 60.2964 38.0657 175.9861 88 K 3.9228 8.6483 123.9672 59.0832 32.1928 176.0782 89 P 4.3673 0.0000 0.0000 62.4674 32.0037 176.2070 90 D 4.3509 8.6901 123.0554 54.6575 42.4015 175.5781 91 V 4.4380 8.2525 122.7307 61.1748 33.2912 174.3069 92 S 4.9043 8.8646 124.4657 58.0579 63.9035 172.7940 93 T 5.1439 8.6029 115.9108 60.0434 71.9674 173.2320 94 I 4.9833 8.2893 123.9803 59.8091 41.2916 173.9125 95 C 4.8659 9.1697 129.6566 58.2692 32.4933 173.8626 96 I 4.3350 9.8789 122.7044 58.9640 36.0445 176.6168 97 G 4.5693 7.0571 120.5791 46.6423 0.0000 171.4957 98 L 5.2659 7.7851 120.5340 52.6794 46.7170 174.8282 99 A 5.0459 9.4994 127.0109 50.6363 21.5159 174.6721 100 A 4.6915 8.2846 121.8511 51.7918 22.1941 176.1019 101 S 3.5837 8.6413 116.9569 59.9324 62.6918 174.4852 *103 G 3.8747 7.8775 106.9885 45.5309 0.0000 175.0822 104 S 4.1547 7.6110 115.8294 60.5103 62.9695 176.3236 105 L 3.9288 7.7922 123.7535 57.9438 41.7612 178.5477 106 L 4.1414 7.8984 117.3175 57.7394 42.0504 178.7445 107 L 3.9988 7.9266 119.8833 58.2684 41.8925 178.9012 108 A 4.7078 7.6124 119.9877 53.4466 18.3864 178.6329 109 G 3.9402 7.5930 102.9404 43.8107 0.0000 173.8280 110 G 3.9731 7.3668 108.0090 45.3397 0.0000 173.6382 111 A 4.1757 8.8781 122.1903 51.7537 19.4208 177.2302 112 K 3.7869 8.6999 123.0652 58.3354 32.2977 177.1758 113 G 3.9935 9.3389 114.9256 45.5503 0.0000 173.0987 114 K 4.4806 8.0710 119.4635 56.1469 33.7416 175.6410 115 R 4.9156 8.0101 119.1803 54.7505 32.4093 175.4648 116 Y 5.4346 9.3603 120.7431 56.4353 42.8251 174.2935 117 S 5.0870 8.8681 114.4705 56.6458 66.3136 173.5197 118 L 4.8711 8.5046 125.0532 53.3527 42.3890 176.6333 119 P 4.3589 0.0000 0.0000 65.2451 31.3995 177.8351 120 S 4.6570 7.8476 111.2970 58.1788 63.2813 174.1656 121 S 4.6339 7.5036 115.7937 58.8788 63.6843 173.5560 122 Q 4.7787 9.2161 120.5163 54.3827 31.4675 175.1538 123 I 5.5732 8.4492 122.7400 58.3333 41.7816 174.0773 *125 I 3.9468 8.0300 115.3542 61.6836 39.0755 174.2774 126 H 5.0212 8.1390 117.5970 55.3080 30.8990 172.7682 127 Q 4.4107 8.2877 117.2765 54.5057 29.8796 174.2929 128 P 4.3671 0.0000 0.0000 62.5511 31.9709 176.1060 129 L 4.8189 7.8178 120.9260 53.3389 44.6374 177.0466 130 G 4.0085 7.4661 107.9992 46.9446 0.0000 172.0379 131 G 4.3773 7.8764 111.2895 44.5401 0.0000 171.8683 132 F 4.9667 8.0653 123.4150 56.2200 42.6464 173.8484 133 R 4.5201 8.6040 125.3192 53.2100 32.3921 177.1281 134 G 3.7067 7.9353 106.9498 45.3357 0.0000 172.3442 135 Q 4.1009 8.0969 118.4632 55.6772 30.6072 176.7936 136 A 4.0142 8.7086 125.8119 55.8087 18.3426 180.1694 137 S 4.1015 8.2025 112.6952 62.2683 62.9370 176.8451 138 D 4.4666 8.1590 120.6694 57.2941 40.6617 178.6990 139 I 3.8578 8.2595 120.7995 64.2610 37.1010 177.8074 140 E 3.9071 8.5872 120.5336 59.5306 29.4458 178.9437 141 I 3.6571 7.6685 119.4929 64.9135 37.1104 178.2643 142 H 4.0687 8.4377 116.7211 58.3793 28.5061 177.7095 143 A 3.9824 8.6206 123.0411 55.0748 18.1973 179.6866 144 K 3.8451 8.3977 117.3389 59.7797 32.2020 178.9882 145 N 4.2135 8.0506 117.1334 56.8065 38.7987 176.7020 146 I 3.7414 8.0830 120.1415 63.7857 38.1446 177.9206 147 L 3.9885 8.0389 120.2010 57.6626 41.4100 179.5349 148 R 3.9194 8.1678 118.1465 59.3168 29.9298 179.1818 149 I 3.6612 7.8271 119.5094 64.1667 37.1268 178.2144 150 K 3.8150 8.1284 120.5228 59.7393 31.9963 178.2714 151 D 4.3224 7.9860 117.7559 57.4459 41.2005 178.4431 152 R 3.9705 8.1906 118.6697 58.9811 30.0056 179.0115 153 L 3.9208 8.1846 119.2600 57.7766 41.5246 179.1792 154 N 4.3378 8.2184 116.4279 56.3999 38.4793 177.6688 155 K 4.0289 8.1004 119.7362 59.1063 32.0643 179.7315 156 V 3.6103 7.6456 118.8180 65.7592 31.3406 178.0892 157 L 3.9908 8.1036 118.5882 57.6883 41.4985 179.1329 158 A 3.9529 8.2873 121.0266 55.5292 18.1042 178.7421 159 H 3.9761 7.8636 115.0750 60.2584 29.9414 176.7806 160 H 4.3407 8.0416 116.2953 58.5575 28.6413 177.3607 161 T 4.4792 7.7212 112.2714 61.2048 69.1368 176.2086 162 G 3.8493 8.0734 108.4176 45.4984 0.0000 173.8078 163 Q 4.0747 7.5396 118.3290 55.1224 29.5502 176.4979 164 D 4.4965 8.2852 119.6675 54.0449 42.8549 177.3874 165 L 3.9405 8.5054 123.9065 58.7488 42.0409 179.4705 166 E 4.0737 8.1257 117.7240 59.6484 29.3999 179.3607 167 T 3.9243 7.8206 115.3603 66.6132 68.3712 176.6208 168 I 3.8141 7.5159 120.6355 64.2989 37.3884 178.2369 169 V 3.7286 8.2121 119.4287 66.0590 31.0899 177.8321 170 K 3.9150 8.4413 119.5613 59.6207 31.8644 177.6970 171 D 4.7600 8.1877 116.1578 55.2052 41.3073 177.3994 172 T 4.4667 7.4933 109.5998 61.3228 69.1422 175.2446 173 D 4.3894 7.6284 120.5692 56.3870 41.4279 175.6041 174 R 4.6770 7.2342 114.8164 53.5322 34.2229 173.9618 175 D 4.2214 8.7137 118.2897 55.4226 41.2041 176.2191 176 N 4.7931 8.5576 123.1437 51.9334 40.3545 173.7191 177 F 4.9492 8.9628 124.3569 55.5520 40.9906 176.0216 *180 A 4.4326 8.5018 123.4413 52.3568 20.5075 179.0786 181 D 4.4561 7.9335 115.3418 56.4929 39.5085 178.4067 182 E 4.0847 8.1735 119.4496 58.9518 29.6573 178.7176 183 A 4.1020 7.9481 120.5599 54.7817 18.0060 179.4384 184 K 4.2010 8.3333 119.2425 59.0378 32.0601 179.0083 185 A 4.0868 7.7810 119.8181 54.9730 18.3697 178.5942 186 Y 4.1056 7.9558 117.3622 58.9752 39.0297 176.4710 187 G 4.0315 7.7782 106.9956 45.1004 0.0000 175.2449 188 L 4.0999 8.3230 121.2186 56.8889 41.5292 176.6596 189 I 4.9294 7.3524 110.2615 59.6145 40.8276 174.6314 190 D 4.5443 8.4471 119.4117 55.6401 42.3662 177.3873 191 H 4.9677 7.6393 113.8447 54.0970 33.5401 172.6322 192 V 4.8169 8.5796 122.6749 61.5187 32.7793 174.7509 193 I 4.5558 8.7395 121.6381 59.3200 39.3623 175.8278 194 E 4.4984 9.0446 125.9593 56.5302 31.4390 175.7437 195 S 4.6048 7.6058 112.1011 56.0220 65.5462 174.0624 196 R 3.7202 8.8719 127.3519 59.4484 29.9356 175.8391 197 E 4.1771 7.5861 120.4059 56.4712 29.4862 176.0990 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 6 L 8.18 4.34 0.00 1.64 1.71 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.03 3.84 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 0.85 0.00 0.00 0.99 0.00 0.00 8 P 0.00 4.53 0.00 2.01 1.92 0.00 3.45 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 9 T 8.35 5.04 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 1.23 0.00 0.00 10 V 8.71 4.71 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 0.74 0.00 0.00 1.08 0.00 0.00 11 I 8.07 4.66 1.91 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 1.38 0.49 0.98 0.00 0.00 *20 A 8.24 4.83 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.51 5.05 0.00 2.95 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 22 D 8.66 5.01 0.00 2.80 2.88 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 23 I 8.30 3.60 1.69 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.98 0.23 0.00 0.00 24 Y 7.80 4.31 0.00 3.35 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 S 9.34 4.20 0.00 4.24 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 0.00 26 R 7.83 3.38 0.00 1.66 2.07 0.00 3.07 0.00 0.00 2.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 27 L 8.10 4.15 0.00 1.95 1.83 1.07 0.32 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 28 L 8.27 4.23 0.00 2.01 1.95 1.05 0.55 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 29 K 7.77 4.04 0.00 1.75 1.73 0.00 1.13 0.00 0.00 1.47 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.39 7.81 30 E 8.08 4.57 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 31 R 8.37 3.95 0.00 2.17 2.06 0.00 3.09 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 32 I 8.01 5.10 2.10 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 1.44 0.88 0.79 0.00 0.00 33 V 9.20 4.55 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 0.92 0.00 0.00 0.93 0.00 0.00 34 F 9.02 5.59 0.00 2.97 2.98 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 35 L 9.30 4.76 0.00 2.20 1.65 1.03 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.91 5.17 0.00 2.74 2.64 0.00 0.00 7.45 7.98 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 37 G 9.32 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 38 E 8.37 4.47 0.00 2.10 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 2.30 2.34 0.00 39 V 8.83 4.09 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 0.99 0.00 0.00 0.99 0.00 0.00 40 N 9.12 5.26 0.00 2.83 2.91 0.00 0.00 6.59 8.31 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 41 D 8.86 4.35 0.00 2.73 2.78 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 42 H 8.26 4.16 0.00 3.25 3.51 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 43 S 8.69 4.12 0.00 4.12 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 0.00 44 A 8.25 3.95 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.18 4.22 0.00 2.96 2.81 0.00 0.00 7.31 5.95 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 46 L 7.75 3.91 0.00 1.91 1.65 0.78 0.64 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 47 V 7.54 3.62 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 0.72 0.00 0.00 1.07 0.00 0.00 48 I 7.87 3.61 2.00 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 1.43 0.53 0.89 0.00 0.00 49 A 8.33 4.02 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 50 Q 8.11 4.03 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 51 L 8.11 3.93 0.00 1.77 1.65 0.72 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.02 4.00 0.00 1.90 1.78 0.94 0.91 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 53 F 8.54 4.18 0.00 3.16 3.33 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 54 L 8.05 3.71 0.00 1.84 1.63 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.03 3.94 0.00 1.91 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 2.26 2.24 0.00 56 S 7.72 4.15 0.00 3.95 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 57 E 7.38 4.08 0.00 1.84 1.79 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 1.47 1.77 0.00 58 D 7.90 4.35 0.00 2.54 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 95 C 9.17 4.87 0.00 3.01 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 96 I 9.88 4.33 2.00 0.00 0.00 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 1.46 1.02 1.25 0.00 0.00 97 G 7.06 4.57 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 98 L 7.79 5.27 0.00 1.81 1.62 1.08 0.95 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 99 A 9.50 5.05 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 0.00 100 A 8.28 4.69 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 0.00 101 S 8.64 3.58 0.00 3.94 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 *103 G 7.88 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 S 7.61 4.15 0.00 4.01 4.29 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 0.00 105 L 7.79 3.93 0.00 1.71 1.69 0.82 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.90 4.14 0.00 1.81 1.84 1.08 1.19 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 0.00 107 L 7.93 4.00 0.00 1.71 1.82 0.91 1.26 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 0.00 108 A 7.61 4.71 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 0.00 109 G 7.59 3.94 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 0.00 0.00 0.00 110 G 7.37 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 0.00 111 A 8.88 4.18 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 0.00 112 K 8.70 3.79 0.00 1.77 1.75 0.00 1.80 0.00 0.00 1.69 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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 0.00 139 I 8.26 3.86 2.07 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 1.55 1.00 0.97 0.00 0.00 140 E 8.59 3.91 0.00 2.02 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 2.31 2.37 0.00 141 I 7.67 3.66 1.97 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 1.49 0.49 0.77 0.00 0.00 142 H 8.44 4.07 0.00 3.04 3.24 0.00 5.62 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 0.00 143 A 8.62 3.98 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 0.00 144 K 8.40 3.85 0.00 1.87 1.85 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.61 7.81 145 N 8.05 4.21 0.00 2.67 2.72 0.00 0.00 6.94 8.09 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 0.00 146 I 8.08 3.74 1.96 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 1.51 1.17 0.94 0.00 0.00 147 L 8.04 3.99 0.00 1.91 1.69 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 148 R 8.17 3.92 0.00 1.96 1.95 0.00 3.10 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 149 I 7.83 3.66 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.81 0.88 0.00 0.00 150 K 8.13 3.81 0.00 1.80 2.03 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 151 D 7.99 4.32 0.00 2.86 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 0.00 152 R 8.19 3.97 0.00 1.87 1.92 0.00 3.16 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 153 L 8.18 3.92 0.00 1.78 1.67 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 154 N 8.22 4.34 0.00 2.97 2.87 0.00 0.00 7.05 6.96 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 0.00 155 K 8.10 4.03 0.00 1.93 1.84 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.45 1.59 7.81 156 V 7.65 3.61 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 0.73 0.00 0.00 0.81 0.00 0.00 157 L 8.10 3.99 0.00 1.92 1.77 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 158 A 8.29 3.95 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 0.00 159 H 7.86 3.98 0.00 3.18 3.56 0.00 5.95 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 0.00 160 H 8.04 4.34 0.00 3.27 3.51 0.00 5.70 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 0.00 161 T 7.72 4.48 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 1.36 0.00 0.00 162 G 8.07 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 0.00 163 Q 7.54 4.07 0.00 1.93 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.83 0.00 0.00 0.00 0.00 0.00 1.94 1.52 0.00 164 D 8.29 4.50 0.00 2.66 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 0.00 165 L 8.51 3.94 0.00 1.74 1.67 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 166 E 8.13 4.07 0.00 2.05 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 2.40 2.40 0.00 167 T 7.82 3.92 4.40 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 1.33 0.00 0.00 168 I 7.52 3.81 2.05 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.86 1.00 0.00 0.00 169 V 8.21 3.73 2.25 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 1.00 0.00 0.00 1.04 0.00 0.00 170 K 8.44 3.91 0.00 1.84 2.04 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.51 7.81 171 D 8.19 4.76 0.00 2.85 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 T 7.49 4.47 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 1.25 0.00 0.00 173 D 7.63 4.39 0.00 2.72 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 0.00 174 R 7.23 4.68 0.00 1.79 1.80 0.00 3.30 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 175 D 8.71 4.22 0.00 2.64 2.46 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 0.00 176 N 8.56 4.79 0.00 2.79 2.62 0.00 0.00 7.22 6.63 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 0.00 177 F 8.96 4.95 0.00 2.97 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 *180 A 8.50 4.43 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 0.00 0.00 181 D 7.93 4.46 0.00 2.91 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 E 8.17 4.08 0.00 2.05 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 0.00 2.42 2.39 0.00 183 A 7.95 4.10 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 0.00 184 K 8.33 4.20 0.00 1.88 1.96 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.29 7.81 185 A 7.78 4.09 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 0.00 186 Y 7.96 4.11 0.00 3.10 3.11 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 0.00 187 G 7.78 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 0.00 188 L 8.32 4.10 0.00 1.92 1.76 0.85 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 189 I 7.35 4.93 1.98 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 1.42 0.89 0.91 0.00 0.00 190 D 8.45 4.54 0.00 2.26 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 0.00 0.00 0.00 0.00 191 H 7.64 4.97 0.00 3.23 3.26 0.00 5.60 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 V 8.58 4.82 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 0.91 0.00 0.00 0.98 0.00 0.00 193 I 8.74 4.56 1.85 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.81 0.98 0.00 0.00 194 E 9.04 4.50 0.00 1.95 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 2.20 2.27 0.00 195 S 7.61 4.60 0.00 3.83 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 0.00 196 R 8.87 3.72 0.00 1.76 1.96 0.00 3.29 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 197 E 7.59 4.18 0.00 2.10 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 2.31 2.23 0.00 * Residues marked with a * may have inaccurate shift predictions.