NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1863 8.3144 121.7895 56.0658 34.1716 175.7057 2 E 3.9873 8.0334 120.1175 53.7277 30.0285 175.2723 3 T 4.2667 8.7093 118.8849 60.8784 72.2737 174.8618 4 A 3.9745 8.4974 122.7690 55.3894 18.4257 179.7121 5 A 3.9786 8.0552 118.4740 55.4228 18.4136 179.6078 6 A 4.0247 8.6256 119.6365 55.0251 18.3672 179.7826 7 K 4.0185 8.4190 118.5622 59.5488 32.1930 178.8085 8 F 4.1245 8.4218 120.9525 61.4290 39.3104 176.9287 9 E 3.9903 8.3176 118.1653 59.3666 29.0191 179.4149 10 R 3.8294 8.0830 118.0794 59.6578 30.2970 178.4060 11 Q 3.9875 7.9663 116.5597 58.1452 28.7632 176.5722 12 H 4.6771 7.9214 113.2652 54.9756 30.7204 173.0253 13 M 4.4630 7.9103 120.1727 53.8849 33.5780 176.5428 14 D 4.7405 8.1552 123.0914 52.7213 41.6252 174.7773 15 S 4.0875 7.8922 116.4011 60.0454 63.8432 175.1885 16 G 3.9891 8.9296 111.5287 46.3761 0.0000 172.9434 17 N 5.1827 8.0070 115.9837 51.3619 39.8287 174.8279 18 S 4.3045 8.1174 110.2616 57.2218 63.4616 173.2254 19 P 4.4255 0.0000 0.0000 65.2330 31.2146 177.9021 20 S 4.2926 7.9602 113.6662 60.3976 63.2187 174.8547 21 S 4.0923 8.3039 116.9208 58.3608 63.2059 174.2157 22 S 4.4906 8.5986 117.0109 58.3930 62.7573 172.3314 23 S 4.5505 7.9344 115.2777 57.1494 64.9624 174.7264 24 N 4.8276 8.5804 116.5401 53.6312 38.1572 176.1815 25 Y 4.0425 7.9170 123.8960 61.2727 38.8286 177.8462 26 C 4.0971 8.3400 117.0624 60.0698 40.0993 175.7960 27 N 4.3918 8.1565 116.3794 56.5228 38.2241 177.0765 28 Q 4.0385 7.8220 118.1375 59.2644 28.9477 178.3206 29 M 3.8500 7.4974 118.6085 57.8358 33.3171 177.9401 30 M 4.2817 8.0414 120.0533 55.5099 28.1883 177.4853 *33 R 4.1986 7.3340 113.2475 55.2780 32.4241 175.8496 34 N 4.2291 8.1157 112.9168 54.7720 36.0224 174.6718 35 L 4.6307 8.3583 116.1359 54.9178 42.0696 177.6983 36 T 5.5263 7.4849 107.3723 60.4193 69.4868 175.5776 37 K 4.2568 8.5527 123.2596 60.0506 32.1994 177.7857 38 D 4.7859 7.9163 113.6565 52.8481 42.7627 175.6040 39 R 3.8459 7.2088 113.6699 55.2714 31.4653 174.7919 40 C 4.9364 8.8058 117.2007 55.7732 39.6989 173.8059 41 K 4.0697 8.5673 127.2586 56.0670 32.4784 174.8420 42 P 4.7164 0.0000 0.0000 65.1904 32.2477 176.3822 43 V 5.0422 7.6010 117.3822 61.3701 34.7126 173.4823 44 N 4.8484 9.0714 123.8449 52.7362 42.8838 172.9896 45 T 4.7842 7.6333 119.2324 61.6567 71.8500 173.1954 46 F 4.6114 9.1074 124.9274 55.6417 41.8743 174.6710 47 V 4.4979 8.3504 122.0393 61.6425 33.0087 174.8683 48 H 4.8937 9.0449 124.0718 55.8118 29.3277 175.1926 49 E 4.3548 8.0592 118.6554 55.1572 30.7281 176.8813 50 S 4.3741 8.2605 115.2182 58.2894 64.9898 175.0463 51 L 3.9609 8.4308 123.7962 58.1265 41.8791 178.9479 52 A 3.9911 7.9672 120.3269 55.4674 18.1757 179.2462 53 D 4.3461 7.8632 116.0125 57.3319 41.1260 178.9655 54 V 3.7580 7.6880 118.7298 66.0605 31.4559 178.1449 55 Q 3.9733 8.5458 118.0043 58.8604 28.4387 178.7044 56 A 4.0102 8.0469 121.6994 54.7384 18.2344 179.6768 57 V 3.3967 7.6709 117.1970 66.2467 31.3084 177.1952 58 C 3.7084 7.6577 115.1183 58.1749 39.9663 174.1024 59 S 4.6663 7.7026 115.2514 58.1174 64.2917 174.8645 60 Q 4.1725 7.4506 122.8352 56.7985 30.0418 179.2109 61 K 4.3148 7.8742 135.0000 56.4039 32.8448 173.6846 62 N 4.5224 8.7786 127.4189 53.4754 39.4466 174.3126 63 V 4.5758 8.3464 118.0152 59.4986 37.0033 174.3073 64 A 4.3324 8.3484 124.7565 52.1879 19.1220 178.5005 65 C 4.7085 9.2626 119.9337 55.9980 41.2870 175.2622 66 K 3.8071 9.1959 121.9334 59.7844 31.6144 178.1625 67 N 4.5958 8.0711 113.0376 52.8961 37.2187 175.8778 68 G 3.9563 8.1273 108.6710 45.7723 0.0000 174.4849 69 Q 4.2494 8.5040 119.3535 56.2768 29.2174 176.2844 70 T 4.6637 8.2759 108.2862 61.6207 69.2574 173.8443 71 N 5.0684 8.0589 117.9312 54.1405 38.3398 174.5754 72 C 5.4388 7.3730 116.0884 56.6781 43.7691 172.9814 73 Y 5.1275 8.7637 117.9458 56.5405 42.3628 173.8628 74 Q 5.1996 9.3078 125.4555 53.9509 31.5138 174.9343 75 S 4.4920 8.7065 121.7187 58.7199 63.1235 174.3192 76 Y 4.4989 9.7326 121.7836 60.6159 37.8965 176.6769 77 S 4.8853 7.8407 113.9387 56.6816 65.2925 173.5846 78 T 4.1363 8.0357 112.0885 61.9241 69.7455 173.7266 79 M 4.9960 9.7643 122.5930 53.3498 36.4880 174.7482 80 S 4.7803 9.8782 117.5335 58.5274 63.7188 173.2109 81 I 5.1643 8.8472 126.6067 60.3802 42.5724 174.0446 82 T 5.0841 8.9486 119.5595 62.2356 72.3952 173.0038 83 D 5.1249 9.5406 127.1830 53.5023 42.9297 174.7864 84 C 5.5170 9.6736 121.3591 55.3375 41.2321 173.2043 85 R 5.3419 8.8664 122.5054 54.0419 33.4887 175.0405 86 E 4.1211 8.7913 122.4782 56.8147 30.9658 177.0445 87 T 4.2415 8.4987 114.7298 60.0462 71.1370 175.8531 88 G 3.6499 8.7459 110.1392 48.5597 0.0000 174.5663 89 S 4.3668 7.5641 111.9765 58.3386 63.5275 174.1777 90 S 4.1995 7.7353 117.6422 58.1804 62.5262 173.4997 91 K 4.2554 8.9903 128.4758 55.4348 34.8397 174.0571 92 Y 4.2883 8.7114 128.3647 57.6395 39.1659 174.2043 93 P 3.1170 0.0000 0.0000 62.4993 31.4777 176.4603 94 N 4.7362 8.3380 119.5935 52.0652 37.9710 173.3919 95 C 4.6942 8.1120 118.5697 56.6264 40.1546 173.0989 96 A 5.0146 8.6652 123.1208 51.1053 22.4355 175.0155 97 Y 5.1928 9.4829 118.7657 56.1471 42.4453 174.6848 98 K 4.6244 9.5048 123.2562 55.3998 34.5761 175.0713 99 T 5.1619 9.4039 124.6315 62.2326 70.7662 173.6217 100 T 4.7139 8.9602 117.0475 59.8624 71.3454 173.8349 101 Q 4.6939 8.8551 125.0270 56.0261 30.1396 174.6721 102 A 4.4268 8.4730 121.4158 51.8628 23.6622 175.5201 103 N 5.8804 8.6106 115.4768 51.0747 40.8533 174.0600 104 K 4.7690 8.2958 122.1177 54.6487 37.6813 175.0138 105 H 4.4746 9.2564 118.6576 55.7601 30.0173 175.2124 106 I 4.8173 8.5312 122.7657 59.8451 40.1377 174.6609 107 I 4.8758 8.0295 124.9440 59.6844 40.2817 175.1432 108 V 4.6778 8.5161 119.2025 59.3215 35.9811 174.4899 109 A 5.0082 9.1953 125.5278 51.2407 20.6410 175.8157 110 C 5.3251 8.7941 118.2752 55.3611 43.0692 173.0685 111 E 4.6997 8.7608 118.5580 56.7135 33.3441 175.2190 112 G 3.8340 9.3827 106.9883 44.8729 0.0000 171.6192 113 N 5.0217 8.2123 115.9522 50.6396 40.6632 172.1987 114 P 4.3214 0.0000 0.0000 63.1188 31.8151 175.4799 115 Y 4.9321 8.2556 120.8961 56.3929 38.9214 174.5331 116 V 4.5220 7.9270 118.6000 58.5414 36.8146 173.4359 117 P 4.8692 0.0000 0.0000 63.2116 31.4608 177.1044 118 V 4.5279 8.8796 113.8386 61.0307 34.2013 175.1485 119 H 4.8743 7.9708 120.1982 54.6891 33.5369 171.6494 120 F 4.3712 8.6652 128.0420 57.2237 39.3108 174.3374 121 D 4.4827 8.2307 127.1535 56.1267 42.1524 175.6517 122 A 4.5581 6.3603 117.8629 51.6534 22.3295 174.9522 123 S 5.1201 8.8205 112.8498 56.7522 66.3899 174.5312 124 V 4.1052 8.7978 120.8033 63.3189 31.8373 174.8440 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 K 8.31 4.19 0.00 1.72 1.91 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.50 7.81 2 E 8.03 3.99 0.00 2.06 1.85 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 2.31 2.38 0.00 3 T 8.71 4.27 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 4 A 8.50 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 5 A 8.06 3.98 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 6 A 8.63 4.02 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 7 K 8.42 4.02 0.00 1.93 2.06 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.46 7.81 8 F 8.42 4.12 0.00 3.16 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 9 E 8.32 3.99 0.00 2.34 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.66 0.00 10 R 8.08 3.83 0.00 1.77 2.07 0.00 3.24 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 11 Q 7.97 3.99 0.00 1.64 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.47 0.00 0.00 0.00 0.00 0.00 2.28 2.51 0.00 12 H 7.92 4.68 0.00 2.15 2.89 0.00 5.64 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.91 4.46 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.64 0.00 14 D 8.16 4.74 0.00 2.66 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 15 S 7.89 4.09 0.00 3.91 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 16 G 8.93 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.01 5.18 0.00 2.59 3.03 0.00 0.00 7.16 7.52 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 18 S 8.12 4.30 0.00 4.04 3.99 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 0.00 0.00 0.00 19 P 0.00 4.43 0.00 2.04 2.15 0.00 3.66 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 2.02 2.11 0.00 20 S 7.96 4.29 0.00 3.88 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.30 4.09 0.00 3.83 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.60 4.49 0.00 3.86 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 23 S 7.93 4.55 0.00 4.01 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.58 4.83 0.00 2.77 2.87 0.00 0.00 6.46 7.48 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 25 Y 7.92 4.04 0.00 2.98 2.95 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 0.00 0.00 0.00 26 C 8.34 4.10 0.00 3.16 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 27 N 8.16 4.39 0.00 2.89 2.93 0.00 0.00 6.93 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 28 Q 7.82 4.04 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.98 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 29 M 7.50 3.85 0.00 0.74 1.11 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.62 0.00 30 M 8.04 4.28 0.00 1.59 1.81 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.28 0.00 *33 R 7.33 4.20 0.00 2.02 2.07 0.00 3.57 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 34 N 8.12 4.23 0.00 2.86 2.92 0.00 0.00 7.01 7.85 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 35 L 8.36 4.63 0.00 1.76 1.66 0.86 0.48 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 T 7.48 5.53 4.41 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 1.42 0.00 0.00 37 K 8.55 4.26 0.00 1.82 1.97 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.64 1.44 7.81 38 D 7.92 4.79 0.00 2.59 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 39 R 7.21 3.85 0.00 1.78 1.79 0.00 2.94 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 40 C 8.81 4.94 0.00 3.13 3.13 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 41 K 8.57 4.07 0.00 1.92 1.81 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.62 1.41 7.81 42 P 0.00 4.72 0.00 2.19 2.32 0.00 3.93 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.83 0.00 43 V 7.60 5.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.98 0.00 0.00 44 N 9.07 4.85 0.00 2.64 2.26 0.00 0.00 6.89 6.93 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 45 T 7.63 4.78 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 46 F 9.11 4.61 0.00 3.05 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 47 V 8.35 4.50 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.99 0.00 0.00 48 H 9.04 4.89 0.00 3.14 3.29 0.00 5.70 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 49 E 8.06 4.35 0.00 1.99 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 2.34 2.27 0.00 50 S 8.26 4.37 0.00 4.06 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 51 L 8.43 3.96 0.00 1.79 1.71 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.97 3.99 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 53 D 7.86 4.35 0.00 2.85 2.76 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 0.00 0.00 0.00 54 V 7.69 3.76 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.03 0.00 0.00 55 Q 8.55 3.97 0.00 2.31 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 56 A 8.05 4.01 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 57 V 7.67 3.40 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 1.10 0.00 0.00 0.97 0.00 0.00 58 C 7.66 3.71 0.00 2.82 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.70 4.67 0.00 3.88 3.82 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 60 Q 7.45 4.17 0.00 1.70 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.91 0.00 0.00 0.00 0.00 0.00 1.90 2.27 0.00 61 K 7.87 4.31 0.00 1.91 1.83 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.48 7.81 62 N 8.78 4.52 0.00 2.82 2.66 0.00 0.00 7.01 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 63 V 8.35 4.58 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 0.64 0.00 0.00 0.86 0.00 0.00 64 A 8.35 4.33 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 65 C 9.26 4.71 0.00 3.13 2.99 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 0.00 0.00 0.00 66 K 9.20 3.81 0.00 1.84 1.88 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.33 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.52 7.81 67 N 8.07 4.60 0.00 2.79 2.89 0.00 0.00 6.19 7.00 0.00 0.00 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 G 8.13 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 69 Q 8.50 4.25 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 70 T 8.28 4.66 4.18 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 1.18 0.00 0.00 71 N 8.06 5.07 0.00 3.13 3.18 0.00 0.00 5.98 7.68 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 72 C 7.37 5.44 0.00 2.97 2.86 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 73 Y 8.76 5.13 0.00 2.85 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 74 Q 9.31 5.20 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.99 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 75 S 8.71 4.49 0.00 3.97 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 76 Y 9.73 4.50 0.00 2.99 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 77 S 7.84 4.89 0.00 3.89 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 78 T 8.04 4.14 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 1.07 0.00 0.00 79 M 9.76 5.00 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 80 S 9.88 4.78 0.00 3.88 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 81 I 8.85 5.16 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.55 0.91 0.00 0.00 82 T 8.95 5.08 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 1.34 0.00 0.00 83 D 9.54 5.12 0.00 2.74 2.61 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 84 C 9.67 5.52 0.00 2.87 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 85 R 8.87 5.34 0.00 1.78 1.83 0.00 3.34 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 86 E 8.79 4.12 0.00 1.85 1.69 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 1.66 2.06 0.00 87 T 8.50 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 1.23 0.00 0.00 88 G 8.75 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.56 4.37 0.00 3.95 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 90 S 7.74 4.20 0.00 3.87 3.76 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 0.00 0.00 0.00 91 K 8.99 4.26 0.00 1.76 1.60 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.38 7.81 92 Y 8.71 4.29 0.00 3.12 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 93 P 0.00 3.12 0.00 1.73 1.30 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.83 0.00 94 N 8.34 4.74 0.00 2.81 2.72 0.00 0.00 7.06 8.21 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 95 C 8.11 4.69 0.00 3.11 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.67 5.01 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 97 Y 9.48 5.19 0.00 2.81 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 98 K 9.50 4.62 0.00 1.84 1.72 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.45 7.81 99 T 9.40 5.16 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 1.30 0.00 0.00 100 T 8.96 4.71 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 101 Q 8.86 4.69 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 102 A 8.47 4.43 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.61 5.88 0.00 2.54 2.73 0.00 0.00 7.04 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 0.00 104 K 8.30 4.77 0.00 1.70 1.87 0.00 1.70 0.00 0.00 1.88 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.48 7.81 105 H 9.26 4.47 0.00 3.14 3.23 0.00 5.79 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.53 4.82 1.87 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.82 0.72 0.00 0.00 107 I 8.03 4.88 1.65 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.73 0.82 0.00 0.00 108 V 8.52 4.68 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 0.54 0.00 0.00 0.93 0.00 0.00 109 A 9.20 5.01 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 0.00 110 C 8.79 5.33 0.00 1.99 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 0.00 0.00 0.00 111 E 8.76 4.70 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 112 G 9.38 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 0.00 113 N 8.21 5.02 0.00 2.64 2.70 0.00 0.00 6.91 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 0.00 114 P 0.00 4.32 0.00 2.24 2.07 0.00 3.82 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 115 Y 8.26 4.93 0.00 2.85 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 7.93 4.52 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 0.69 0.00 0.00 0.94 0.00 0.00 117 P 0.00 4.87 0.00 1.92 1.94 0.00 3.56 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 118 V 8.88 4.53 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 0.61 0.00 0.00 0.97 0.00 0.00 119 H 7.97 4.87 0.00 3.18 3.08 0.00 5.85 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 0.00 120 F 8.67 4.37 0.00 3.04 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 0.00 121 D 8.23 4.48 0.00 2.56 2.48 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 0.00 122 A 6.36 4.56 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 0.00 0.00 0.00 0.00 0.00 123 S 8.82 5.12 0.00 3.95 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 8.80 4.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.