NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *27 D 4.6524 8.3644 119.5546 52.9303 42.0121 172.7487 28 K 4.1760 7.8771 124.9350 54.7131 38.2462 173.0771 29 P 4.6998 0.0000 0.0000 62.6738 33.6195 174.1710 30 I 5.1879 8.7257 114.1819 59.1821 41.1420 174.1329 31 F 5.5849 9.1371 118.0429 55.1405 41.2396 174.2484 32 V 4.7146 8.6466 119.0303 60.0097 35.4303 174.2684 33 V 5.0242 9.0029 122.4688 61.5669 34.3631 173.9996 34 Q 5.2322 9.1653 127.8321 53.9212 31.3893 175.0590 35 R 3.6087 8.9304 125.7867 56.3282 31.4661 174.4966 36 H 5.0434 9.0896 127.3876 54.6370 32.2015 172.4969 37 D 5.0735 9.3473 128.0105 51.8028 40.6684 176.0517 38 A 4.7083 8.1900 130.9671 51.4085 19.3272 177.9836 39 R 4.0520 9.0196 116.2340 61.1534 30.2553 176.5266 40 K 4.6605 7.6083 114.9856 53.8703 35.5484 174.7192 41 L 4.7243 8.2999 123.1397 55.3463 42.8220 175.4323 42 H 5.0369 8.7255 120.6513 54.9514 32.9527 171.2119 43 Y 4.9444 9.4299 115.6471 56.3455 40.9976 174.8757 44 D 5.3197 9.6460 124.8989 53.1967 42.8315 175.0907 45 F 5.3237 9.6370 127.1839 56.6887 41.5103 174.5576 46 R 5.0835 8.5527 124.8253 54.2779 33.9659 174.2705 47 L 4.8345 8.7885 123.2797 52.5005 44.9300 175.3652 48 E 4.6866 9.3100 125.5565 56.4820 30.1969 176.0247 49 M 4.8631 8.9820 126.7564 55.0164 35.8399 175.3051 50 D 4.5074 9.9635 121.9250 55.4364 38.6830 175.1124 51 G 3.9649 8.5352 106.0505 45.4247 0.0000 173.5776 52 V 4.4485 7.6691 112.2552 59.5103 36.0159 174.5604 53 L 4.9061 8.5973 121.7403 53.0394 42.7031 176.3553 54 K 4.1897 8.9094 127.2148 56.3384 33.3445 175.9327 55 S 5.2112 7.8334 121.6749 56.5517 67.4901 172.8558 56 W 5.4875 9.3666 121.8077 54.9311 33.5352 174.0462 57 A 5.0983 9.4566 126.4060 51.1181 20.0741 176.2150 58 V 5.0283 9.5503 124.2377 59.6042 33.4286 174.4368 59 P 4.7079 0.0000 0.0000 64.4348 31.5311 175.7110 60 K 4.7583 7.7501 118.4255 54.2468 36.3624 175.4256 61 E 2.5400 8.2679 119.3376 55.3982 29.6368 175.8268 62 P 4.1600 0.0000 0.0000 61.9813 31.9804 174.2863 63 P 4.4151 0.0000 0.0000 62.5479 31.9214 176.7021 64 K 4.3891 8.6789 121.6229 57.8948 31.7678 176.5696 65 D 4.8301 7.6407 117.3098 51.6597 44.4516 174.9411 66 A 4.3981 7.6339 123.9344 52.0905 19.0087 176.6422 67 G 4.0256 8.8664 106.5385 45.4503 0.0000 174.2307 68 T 4.4498 6.8270 112.9024 61.7319 70.0169 173.8789 69 R 4.8637 8.3637 124.9117 54.6018 32.2060 175.7461 70 R 4.7901 9.0848 122.1464 54.0570 33.5316 174.8289 71 L 4.8044 8.5065 123.4755 54.9460 43.8703 175.2661 72 A 5.2676 9.4264 127.5868 50.3624 22.2651 174.6237 73 I 4.8730 8.9732 124.6834 59.4024 39.1268 175.1790 74 E 3.8929 9.3868 129.0431 57.0591 30.0175 175.8795 75 T 4.8677 8.0936 117.2108 59.6557 71.9061 173.3045 76 E 4.1787 8.2177 119.2886 56.1127 30.1611 177.1915 77 D 4.6165 8.5309 121.6702 55.5118 41.6006 175.6913 78 H 4.9395 8.6931 118.5403 52.8778 32.5305 172.2263 79 P 4.5905 0.0000 0.0000 62.3648 32.1953 177.0421 80 L 3.9571 8.7328 121.3816 58.5697 42.0117 179.1555 81 A 4.1588 8.0442 119.4627 54.5320 18.3332 178.4221 82 Y 4.1332 8.2925 117.9703 59.9841 38.6374 177.2649 83 A 4.1296 8.1495 120.8182 54.2408 18.5137 177.4646 84 D 4.6175 7.7021 115.0344 53.9565 41.7932 176.2229 85 F 4.2770 7.7276 122.7765 56.9884 40.0507 174.6630 86 E 4.0947 7.0662 128.1211 54.5199 32.2265 174.8292 87 G 3.5559 6.8028 114.9183 45.4986 0.0000 168.9790 88 E 5.1961 8.4479 121.3764 54.4918 32.0245 176.7318 89 I 4.2827 8.9841 128.7768 59.7096 38.5233 173.8499 90 P 4.6809 0.0000 0.0000 62.2402 32.4833 175.9478 91 A 3.9878 8.5905 125.4630 54.2016 18.6621 178.2517 92 G 3.9988 9.0159 109.6026 45.1381 0.0000 173.5025 93 E 4.4851 7.6133 119.4586 54.6809 30.9398 175.0516 94 Y 4.1102 8.3803 123.1737 59.3268 39.0846 176.3212 95 G 3.8134 8.5193 114.7888 44.9916 0.0000 172.8824 96 A 4.0536 7.4107 121.9006 52.9189 18.8931 177.6651 97 G 4.0087 8.2049 107.4886 43.3960 0.0000 172.2276 98 K 4.8175 8.5264 119.6346 55.5165 33.6656 176.6176 99 V 4.8809 9.1352 124.7636 61.0557 34.4987 173.8311 100 E 4.8266 8.8802 127.8336 54.1962 33.4280 174.5281 101 I 4.2362 9.0886 127.7813 61.2874 36.8693 175.5826 102 W 4.5965 9.5719 135.0000 59.6998 31.4764 175.6243 103 D 4.7049 8.1596 116.7737 53.3518 44.6279 173.7975 104 R 4.2880 7.7225 120.5336 55.4973 33.0553 174.6687 105 G 4.1610 7.4009 110.6626 47.0171 0.0000 171.6841 106 T 5.5675 8.4118 110.1721 60.1852 72.5548 172.7030 107 F 5.5077 8.3907 115.4086 55.8715 41.4062 173.3384 108 E 4.5877 9.2364 119.9536 54.5381 31.8528 174.9172 109 L 4.6950 8.5698 127.0432 54.8177 42.1965 176.0115 110 L 4.4730 8.9376 127.3279 56.8055 42.9264 177.2833 111 K 4.5603 7.8149 116.7571 55.5858 35.6362 174.5076 112 R 5.1303 8.4913 126.2289 55.5118 33.3332 173.6447 113 E 4.8403 9.8700 125.0089 54.3583 34.1954 175.7303 114 E 4.0174 9.0667 120.3538 59.4721 29.4908 177.9185 115 R 4.2857 7.9066 114.4630 55.4123 30.8978 174.4874 116 E 5.4732 8.1718 118.7763 55.3214 33.8084 173.9968 117 I 5.1574 9.4240 127.0441 59.6804 41.6414 174.2559 118 V 4.8731 8.9888 126.5163 61.2249 34.4402 174.6814 119 V 5.0090 8.7905 119.8880 59.7799 36.5752 174.4085 120 S 5.1611 9.5190 119.0693 57.0224 63.7616 172.9347 121 L 4.6532 9.0314 128.5036 53.7504 43.1384 175.8240 122 E 5.0597 9.5686 123.5357 54.2605 29.4485 174.6033 123 G 4.8260 9.0554 111.9584 43.5196 0.0000 169.9597 124 K 4.2672 8.8037 117.0740 57.4947 32.9786 177.7607 125 E 4.2107 8.5728 116.4659 57.2942 30.7141 175.9757 126 L 4.7221 8.4402 120.5360 53.0014 42.5426 175.8069 127 K 4.9904 8.7858 122.6165 55.7899 36.0055 176.8070 128 G 3.8699 8.9264 108.2258 44.1041 0.0000 171.5618 129 I 4.6855 8.1421 118.9931 61.1910 38.4444 175.0472 130 Y 4.8033 9.2878 124.4987 55.9963 41.8912 174.7743 131 V 4.7262 8.4858 121.6426 60.9606 35.1596 174.0975 132 L 5.2531 9.1332 127.3399 53.0496 44.6378 175.3680 133 I 5.0387 8.8641 124.7041 59.3704 40.4267 174.7106 134 R 3.7375 8.1076 129.0800 55.1141 30.0961 176.2346 135 T 3.8954 8.2126 121.7108 62.5681 67.7742 173.9867 136 K 4.1796 8.4976 125.5383 57.4077 32.7608 176.4068 137 Y 4.3284 7.7210 120.5685 57.4369 39.6518 175.8260 138 G 3.3154 7.2826 111.8048 44.8890 0.0000 171.9963 *140 G 3.6644 8.1150 109.4492 45.2713 0.0000 172.9731 141 E 4.0880 8.5684 114.9864 55.8214 30.1109 173.5421 142 K 4.5646 8.4513 122.6806 53.8338 34.1211 176.7712 143 G 4.2424 8.4904 110.7055 45.8546 0.0000 171.7709 144 W 5.4286 9.6046 119.4844 54.5297 32.6646 175.1655 145 L 4.7988 9.4104 126.8758 54.7170 43.0775 175.0290 146 F 5.7813 9.4464 129.5672 56.5175 41.9854 173.8577 147 F 4.7432 8.3461 119.6263 55.6177 41.3706 172.7412 148 K 3.6555 8.0964 121.1847 54.7030 32.1450 175.7365 149 K 4.2211 8.7458 129.3166 56.3638 32.6946 177.6559 150 A 3.9893 9.1971 129.6101 55.0238 18.7126 177.6450 151 S 4.0864 7.3443 115.7006 58.9419 63.0716 171.9746 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 *27 D 8.36 4.65 0.00 2.44 2.51 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 28 K 7.88 4.18 0.00 1.67 1.68 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.20 1.40 7.81 29 P 0.00 4.70 0.00 1.50 1.92 0.00 3.46 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.46 0.00 30 I 8.73 5.19 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.96 0.96 0.00 0.00 31 F 9.14 5.58 0.00 2.88 3.09 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 32 V 8.65 4.71 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 0.73 0.00 0.00 1.02 0.00 0.00 33 V 9.00 5.02 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 1.31 0.00 0.00 1.59 0.00 0.00 34 Q 9.17 5.23 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 35 R 8.93 3.61 0.00 1.77 1.70 0.00 2.93 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.50 0.00 36 H 9.09 5.04 0.00 3.16 2.66 0.00 5.64 0.00 0.00 0.00 0.00 6.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.35 5.07 0.00 2.67 2.54 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 38 A 8.19 4.71 0.87 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 39 R 9.02 4.05 0.00 1.78 2.01 0.00 3.30 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 40 K 7.61 4.66 0.00 1.76 1.67 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.32 7.81 41 L 8.30 4.72 0.00 1.60 1.56 0.81 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 42 H 8.73 5.04 0.00 3.45 3.38 0.00 5.25 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 9.43 4.94 0.00 2.84 2.83 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 44 D 9.65 5.32 0.00 2.66 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 45 F 9.64 5.32 0.00 3.09 2.89 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 46 R 8.55 5.08 0.00 1.69 1.71 0.00 3.18 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 47 L 8.79 4.83 0.00 1.53 1.31 0.76 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 48 E 9.31 4.69 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 49 M 8.98 4.86 0.00 2.09 1.92 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.78 0.00 50 D 9.96 4.51 0.00 2.79 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 51 G 8.54 3.96 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 0.00 0.00 0.00 52 V 7.67 4.45 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 0.72 0.00 0.00 0.99 0.00 0.00 53 L 8.60 4.91 0.00 1.72 1.61 1.11 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.91 4.19 0.00 1.72 1.56 0.00 1.51 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.39 1.04 7.81 55 S 7.83 5.21 0.00 3.77 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 56 W 9.37 5.49 0.00 3.15 2.81 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 57 A 9.46 5.10 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 58 V 9.55 5.03 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.05 0.00 0.00 59 P 0.00 4.71 0.00 2.17 2.21 0.00 4.09 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 60 K 7.75 4.76 0.00 1.69 1.65 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.46 7.81 61 E 8.27 2.54 0.00 1.62 1.17 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 1.47 2.08 0.00 62 P 0.00 4.16 0.00 2.05 2.04 0.00 2.20 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.08 0.00 63 P 0.00 4.42 0.00 2.22 1.93 0.00 3.14 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 64 K 8.68 4.39 0.00 1.84 1.99 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.14 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.64 1.67 7.81 65 D 7.64 4.83 0.00 2.62 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 66 A 7.63 4.40 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.87 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 68 T 6.83 4.45 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 1.16 0.00 0.00 69 R 8.36 4.86 0.00 1.65 1.84 0.00 2.87 0.00 0.00 2.99 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.42 0.00 70 R 9.08 4.79 0.00 1.73 1.88 0.00 3.28 0.00 0.00 3.07 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.57 0.00 71 L 8.51 4.80 0.00 1.86 1.61 1.05 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 72 A 9.43 5.27 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.97 4.87 1.98 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.80 1.01 0.00 0.00 74 E 9.39 3.89 0.00 1.97 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 2.13 1.79 0.00 75 T 8.09 4.87 4.37 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 1.33 0.00 0.00 76 E 8.22 4.18 0.00 1.65 1.67 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 2.13 2.16 0.00 77 D 8.53 4.62 0.00 2.45 2.53 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 78 H 8.69 4.94 0.00 3.05 3.01 0.00 5.81 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.59 0.00 2.24 2.15 0.00 3.51 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.90 0.00 80 L 8.73 3.96 0.00 1.94 1.75 1.01 1.06 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 81 A 8.04 4.16 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 82 Y 8.29 4.13 0.00 3.20 3.06 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 83 A 8.15 4.13 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 84 D 7.70 4.62 0.00 2.90 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 85 F 7.73 4.28 0.00 2.72 2.36 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 86 E 7.07 4.09 0.00 1.64 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 2.00 2.27 0.00 87 G 6.80 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.45 5.20 0.00 2.00 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 2.23 2.53 0.00 89 I 8.98 4.28 2.17 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.04 0.93 0.00 0.00 90 P 0.00 4.68 0.00 2.08 1.99 0.00 3.63 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 91 A 8.59 3.99 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 92 G 9.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.61 4.49 0.00 2.09 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 2.38 2.38 0.00 94 Y 8.38 4.11 0.00 2.87 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.52 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 96 A 7.41 4.05 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 97 G 8.20 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 98 K 8.53 4.82 0.00 1.75 1.74 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.40 7.81 99 V 9.14 4.88 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 1.09 0.00 0.00 1.03 0.00 0.00 100 E 8.88 4.83 0.00 2.02 1.72 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 2.24 2.43 0.00 101 I 9.09 4.24 1.90 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.84 0.89 0.00 0.00 102 W 9.57 4.60 0.00 3.42 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 0.00 103 D 8.16 4.70 0.00 2.59 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 0.00 104 R 7.72 4.29 0.00 1.67 1.57 0.00 3.24 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.45 0.00 105 G 7.40 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 T 8.41 5.57 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 1.25 0.00 0.00 107 F 8.39 5.51 0.00 3.13 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 E 9.24 4.59 0.00 1.99 1.92 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 2.23 2.23 0.00 109 L 8.57 4.69 0.00 1.90 1.68 1.19 1.12 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 0.00 110 L 8.94 4.47 0.00 1.72 1.74 0.96 1.14 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 0.00 111 K 7.81 4.56 0.00 1.83 1.63 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.16 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.45 7.81 112 R 8.49 5.13 0.00 1.91 1.82 0.00 3.36 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 113 E 9.87 4.84 0.00 2.03 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 2.27 2.29 0.00 114 E 9.07 4.02 0.00 1.96 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 2.33 2.45 0.00 115 R 7.91 4.29 0.00 1.84 1.73 0.00 3.24 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.51 0.00 116 E 8.17 5.47 0.00 2.11 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 117 I 9.42 5.16 1.80 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.80 0.90 0.00 0.00 118 V 8.99 4.87 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 1.07 0.00 0.00 0.95 0.00 0.00 119 V 8.79 5.01 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 0.63 0.00 0.00 0.91 0.00 0.00 120 S 9.52 5.16 0.00 3.92 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 0.00 121 L 9.03 4.65 0.00 1.42 1.01 -0.14 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 122 E 9.57 5.06 0.00 2.14 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 2.25 2.35 0.00 123 G 9.06 4.83 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 0.00 124 K 8.80 4.27 0.00 1.76 1.79 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.35 7.81 125 E 8.57 4.21 0.00 1.69 1.61 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 1.67 1.47 0.00 126 L 8.44 4.72 0.00 1.58 1.12 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 127 K 8.79 4.99 0.00 1.76 1.73 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.50 1.47 7.81 128 G 8.93 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 0.00 129 I 8.14 4.69 1.83 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.68 0.90 0.00 0.00 130 Y 9.29 4.80 0.00 2.70 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 0.00 131 V 8.49 4.73 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 0.84 0.00 0.00 0.66 0.00 0.00 132 L 9.13 5.25 0.00 1.32 1.43 -0.78 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 133 I 8.86 5.04 2.01 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.94 0.93 0.00 0.00 134 R 8.11 3.74 0.00 0.67 1.02 0.00 3.09 0.00 0.00 2.70 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.80 0.00 135 T 8.21 3.90 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 1.33 0.00 0.00 136 K 8.50 4.18 0.00 1.82 1.84 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.41 7.81 137 Y 7.72 4.33 0.00 2.91 2.87 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 0.00 138 G 7.28 3.32 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 0.00 *140 G 8.12 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 0.00 141 E 8.57 4.09 0.00 2.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.91 0.00 142 K 8.45 4.56 0.00 1.63 1.78 0.00 1.65 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.57 7.81 143 G 8.49 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 0.00 0.00 0.00 0.00 144 W 9.60 5.43 0.00 3.28 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 0.00 145 L 9.41 4.80 0.00 1.86 1.77 0.99 0.80 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 0.00 146 F 9.45 5.78 0.00 2.85 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 0.00 147 F 8.35 4.74 0.00 3.06 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 0.00 148 K 8.10 3.66 0.00 0.80 1.31 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.69 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.06 0.52 7.81 149 K 8.75 4.22 0.00 1.89 1.62 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.46 7.81 150 A 9.20 3.99 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 0.00 151 S 7.34 4.09 0.00 4.05 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 * Residues marked with a * may have inaccurate shift predictions.