NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5242 8.1633 120.2817 55.1508 33.9087 173.8160 2 K 4.6397 8.4652 124.6727 55.0050 33.7102 171.2354 3 V 4.7489 10.1157 119.6664 59.7731 36.6889 174.9688 4 I 4.6414 9.4477 125.4955 59.7247 37.9176 175.3967 5 L 4.4469 8.4928 127.4900 55.2621 42.3983 177.2011 6 L 4.3628 8.3909 120.7320 56.9065 42.9093 177.8540 7 E 4.4011 8.0212 116.4517 55.8414 30.7066 173.4417 8 P 5.6215 0.0000 0.0000 61.2963 34.0133 173.9764 9 L 4.7585 8.0654 117.3918 53.0883 46.9324 175.3668 10 E 3.9830 8.8266 121.0435 57.4852 30.0518 177.2411 11 N 4.1238 8.8474 120.6056 54.0257 38.8528 173.8835 12 L 4.2240 7.9311 113.7609 56.3080 42.4214 174.0319 13 G 4.0759 8.2499 111.5441 46.5010 0.0000 170.6551 14 D 4.6052 7.7552 128.8482 52.8181 40.0486 177.5244 15 V 3.6880 8.3337 118.3295 62.2832 32.0627 178.2173 16 G 4.0058 8.6881 107.9404 46.1295 0.0000 174.1268 17 Q 4.1780 7.6364 121.2033 55.8857 30.6368 175.1539 18 V 4.6093 8.3541 125.2050 61.7019 32.1734 175.0322 19 V 4.6594 8.5459 128.3486 59.7808 34.5832 174.1727 20 D 5.3295 8.5952 121.7599 52.2601 40.8819 175.6881 21 V 4.6254 9.0392 116.4080 58.6345 36.4183 175.2637 22 K 4.0244 8.6595 122.4533 56.3349 32.7956 175.2445 23 P 4.3235 0.0000 0.0000 65.8522 31.3266 178.5676 24 G 3.7052 8.1910 103.7696 47.9502 0.0000 174.5163 25 Y 4.2823 8.1020 121.9341 61.1225 38.6500 177.6575 26 A 3.9200 8.2947 120.9564 55.0004 18.1828 179.1299 27 R 3.8971 8.0668 116.6064 58.7313 30.5697 178.0495 28 N 4.9818 8.1053 112.1071 53.8463 39.7441 174.2426 29 Y 4.3715 8.1857 120.3974 57.5227 41.6940 176.7449 30 L 3.6435 7.2634 119.6863 57.9748 42.8798 178.9340 31 L 4.0223 7.6542 122.5142 57.9749 42.3622 177.5259 32 P 4.3421 0.0000 0.0000 65.7824 31.5478 178.7035 33 R 4.1125 8.1506 117.2629 56.9806 29.9357 177.8159 34 G 3.9510 8.1875 103.6290 46.3988 0.0000 175.5091 35 L 3.9109 7.7363 118.7914 56.1016 41.9035 176.0236 36 A 4.7267 6.7254 118.6032 52.1022 23.0346 175.2175 37 V 4.5182 7.9333 115.7224 61.2872 35.5688 174.8509 38 L 4.2299 8.4646 123.9903 53.9117 42.3071 177.9002 39 A 4.5206 9.0337 126.5638 51.9604 16.5796 178.4090 40 T 4.0394 7.7920 111.5269 61.8160 70.1581 175.2812 41 E 3.8371 8.9761 123.6054 60.1632 29.7597 179.1108 42 S 4.0667 8.4666 112.8046 59.4720 62.1753 176.1823 43 N 4.0753 8.2243 117.6589 56.2526 39.0326 176.0597 44 L 3.9602 8.7291 121.5102 58.1837 41.7415 179.9683 45 K 3.9973 8.3457 118.0118 59.7692 32.6886 178.7437 46 A 4.0136 8.1258 121.2808 54.4173 17.9948 179.2964 47 L 3.8839 7.6924 118.7705 58.3404 42.3781 178.2637 48 E 3.6911 7.8252 118.8859 59.9937 29.4444 178.1106 49 A 4.0113 8.4513 121.2634 54.3645 18.4601 179.3318 50 R 3.8652 8.0118 114.9812 59.6493 30.2849 179.2451 51 I 3.7369 8.2921 118.4179 64.0777 37.4335 178.3116 52 R 4.1532 7.8906 115.9153 59.6859 29.9178 177.7314 53 A 3.8083 7.8888 120.4187 55.2496 17.7123 178.7463 54 Q 4.0658 8.4205 116.5866 58.7055 29.1383 179.3157 55 A 4.2526 7.7088 120.1646 53.0824 19.0614 178.3150 56 K 4.4171 8.3225 114.9638 57.0344 33.5563 177.7236 57 R 4.1904 7.7681 120.2529 58.5913 30.0928 176.5652 58 L 4.3930 7.3571 117.2895 55.1189 41.7484 176.2660 59 A 4.8114 7.7458 118.6297 51.9142 19.7805 177.5518 60 E 4.5898 7.9033 120.9701 57.9189 31.6942 177.4234 61 R 4.3523 8.0499 115.2136 57.0903 30.5377 176.5636 62 K 4.5611 8.0596 117.5671 55.8588 32.5449 175.7577 63 A 4.6707 7.9338 120.2190 51.7703 20.9615 177.7218 64 E 4.4583 7.8385 112.5970 56.9289 31.1955 177.2251 65 A 4.5223 8.0094 119.5267 52.3885 18.4942 177.1820 66 E 4.6688 8.0159 113.9630 56.3798 31.4498 176.5707 67 R 4.6564 7.6918 117.0483 55.6065 30.2801 176.2682 68 L 4.6279 7.5780 119.3348 55.2177 44.2967 177.5183 69 K 4.2333 8.1563 117.7676 57.5648 32.2745 177.0075 70 E 4.4435 8.0467 115.8052 56.8964 30.7370 176.6289 71 I 4.3288 7.6488 112.2037 60.9684 38.8877 176.4524 72 L 4.6916 7.3648 117.2692 54.6736 42.8472 177.1545 73 E 4.3658 7.6479 117.9510 57.2431 29.7532 175.6455 74 N 4.7458 7.7842 112.7403 55.3157 40.7598 174.5481 75 L 4.1493 7.5714 119.6521 54.9945 42.8509 176.5511 76 T 4.7279 8.1831 117.0069 60.3526 71.4194 171.9275 77 L 4.3493 7.7037 116.0524 56.9959 43.7123 174.2676 78 T 3.4619 8.1028 119.0330 63.4197 68.1392 171.4266 79 I 4.4964 8.8055 126.7966 58.6471 40.5961 174.4180 80 P 4.7619 0.0000 0.0000 62.0471 28.7655 174.4844 81 V 4.0432 7.7505 118.8128 60.8753 32.9749 175.2401 82 R 3.8688 8.6429 128.8673 57.1301 30.7970 175.1417 83 A 3.1367 7.7835 127.5581 50.6593 22.3876 176.4114 84 G 4.2117 7.7259 106.6190 44.7374 0.0000 174.6003 85 E 3.8358 8.0625 129.7564 57.3844 26.9738 176.0984 86 T 3.8591 8.4883 122.6077 67.9227 68.8272 172.9825 87 K 4.3899 7.8263 120.9937 56.0070 33.0910 176.4105 88 I 4.2559 8.2332 127.1178 60.9647 38.0399 174.1748 89 Y 4.1347 7.9493 122.4916 59.8498 37.4142 176.7108 90 G 3.8474 8.5857 118.3802 44.9457 0.0000 173.5322 91 S 4.2443 8.6846 121.2184 58.7760 63.5788 175.0250 92 V 4.4085 7.8046 122.8889 59.7346 30.9197 177.6939 93 T 4.4857 8.8071 127.1933 61.9655 70.0554 176.5836 94 A 4.5526 8.9770 118.0265 53.1611 20.3353 178.7758 95 K 3.8986 7.9068 116.5964 59.9546 32.0900 178.3555 96 D 4.6519 8.2570 118.3385 57.6991 40.5924 178.5667 97 I 3.7265 7.7421 118.7397 64.7926 37.2531 177.7942 98 A 3.9214 8.9305 122.1045 55.5279 18.3300 178.7305 99 E 3.8590 8.9972 117.5683 59.8421 29.4170 178.4806 100 A 4.3275 8.6271 118.0537 52.5526 18.6716 177.8543 101 L 4.3149 7.4756 122.7652 57.4790 43.2239 178.4146 102 S 5.0326 8.1998 114.2620 60.0100 62.0756 175.0424 103 R 4.6367 7.4376 115.1116 55.6747 32.4857 175.2589 104 Q 4.3721 8.2133 118.4768 57.2789 30.0913 175.5964 105 H 4.6537 8.3277 112.6628 55.4305 31.2605 174.8150 106 G 4.6483 8.6309 107.0734 45.4863 0.0000 172.9409 107 V 4.4673 8.0300 117.3382 61.1425 35.2987 173.8522 108 T 4.7809 8.2062 121.2490 61.9047 70.1428 173.9302 109 I 4.4963 7.8616 117.5456 60.3274 40.5222 172.9825 110 D 4.8565 8.6682 120.3641 52.1751 41.6850 176.3072 111 P 4.6869 0.0000 0.0000 63.7876 30.7925 176.7853 112 K 4.4821 8.3202 118.9458 57.4323 34.3893 177.9124 113 R 4.1302 7.9137 114.5036 56.7458 29.9677 177.3206 114 L 4.2052 7.7192 119.3606 56.2078 41.7392 177.4755 115 A 3.6113 7.8693 118.5695 53.1025 15.6395 177.9775 116 L 4.2423 7.8517 123.3566 54.8945 40.6149 175.8892 117 E 3.9914 8.4105 121.6484 58.2854 29.9311 177.7342 118 K 4.6263 7.4745 119.3011 52.7324 35.1070 175.5200 119 P 4.2051 0.0000 0.0000 63.3719 31.6979 178.3044 120 I 2.9689 7.9934 122.3146 59.9364 35.4884 173.5936 121 K 3.7237 9.2116 123.6164 57.0362 30.6259 175.6623 122 E 4.6934 7.9955 114.8974 55.3425 31.8730 174.6168 123 L 4.1206 7.9774 127.5483 54.8674 42.5688 178.5702 124 G 3.5168 6.7566 105.5794 45.1822 0.0000 171.6293 125 E 4.7214 7.7233 120.2536 55.0119 29.8566 174.3158 126 Y 4.4825 9.0606 122.9295 56.4221 39.4280 175.9156 127 V 4.5886 8.1453 127.2752 60.8184 29.4392 176.4555 128 L 4.8078 8.0698 135.0000 53.8866 43.7466 178.8799 129 T 4.2640 8.2232 120.1229 64.3224 71.9996 172.6199 130 Y 4.9669 8.3803 128.8383 58.5918 41.3685 173.8527 131 K 4.2636 6.9181 116.5434 55.9722 35.1767 174.2963 132 P 5.0132 0.0000 0.0000 63.2801 34.7261 176.3645 133 H 3.8221 8.6365 114.3891 55.6393 30.2916 174.3561 134 P 4.1310 0.0000 0.0000 61.8201 30.1503 175.1869 135 E 4.2301 8.3476 122.5765 56.6146 30.3015 178.4209 136 V 4.5581 7.8075 119.9621 60.1935 32.8611 170.0324 137 P 4.7989 0.0000 0.0000 63.3425 31.7345 176.5761 138 I 4.4863 8.4109 125.3345 60.3368 39.4702 174.0347 139 Q 5.1552 8.4613 123.2489 54.3675 32.4935 173.6239 140 L 4.8309 9.5543 126.7515 53.3574 45.7109 175.4478 141 K 5.1786 8.4746 124.6515 53.0595 32.7104 173.3519 142 V 3.9378 8.1706 115.3993 61.9492 32.8981 175.3213 143 S 4.5629 9.3241 122.0286 56.9433 65.3919 172.5357 144 V 4.1577 7.9852 121.4599 61.6095 33.7468 171.0876 145 V 2.9674 8.0599 128.0101 62.1143 32.3246 171.8459 *146 A 4.1219 8.5660 128.1211 52.5109 18.7144 175.8692 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 8.16 4.52 0.00 2.00 2.42 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 2 K 8.47 4.64 0.00 1.77 1.74 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.49 7.81 3 V 10.12 4.75 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 0.79 0.00 0.00 1.03 0.00 0.00 4 I 9.45 4.64 1.87 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 1.24 0.69 0.92 0.00 0.00 5 L 8.49 4.45 0.00 1.65 1.61 0.96 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.39 4.36 0.00 1.52 1.67 0.95 0.98 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 7 E 8.02 4.40 0.00 1.84 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 2.32 2.37 0.00 8 P 0.00 5.62 0.00 2.06 2.04 0.00 3.38 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.81 0.00 9 L 8.07 4.76 0.00 1.93 1.62 1.04 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.83 3.98 0.00 1.98 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 2.38 2.25 0.00 11 N 8.85 4.12 0.00 2.84 2.86 0.00 0.00 6.89 7.78 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 12 L 7.93 4.22 0.00 1.83 1.75 1.02 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.25 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 14 D 7.76 4.61 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 15 V 8.33 3.69 2.29 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 0.89 0.00 0.00 0.94 0.00 0.00 16 G 8.69 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 17 Q 7.64 4.18 0.00 2.31 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 18 V 8.35 4.61 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 0.89 0.00 0.00 0.94 0.00 0.00 19 V 8.55 4.66 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 0.81 0.00 0.00 0.95 0.00 0.00 20 D 8.60 5.33 0.00 2.70 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 21 V 9.04 4.63 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 0.78 0.00 0.00 1.09 0.00 0.00 22 K 8.66 4.02 0.00 1.83 1.75 0.00 1.61 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.53 7.81 23 P 0.00 4.32 0.00 2.22 2.13 0.00 3.68 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 2.14 2.22 0.00 24 G 8.19 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.10 4.28 0.00 2.99 3.14 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 0.00 0.00 0.00 0.00 26 A 8.29 3.92 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 27 R 8.07 3.90 0.00 1.83 2.06 0.00 3.14 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 28 N 8.11 4.98 0.00 2.87 2.86 0.00 0.00 6.72 7.08 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 29 Y 8.19 4.37 0.00 2.77 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 0.00 0.00 0.00 0.00 30 L 7.26 3.64 0.00 1.59 1.54 1.07 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.65 4.02 0.00 1.75 1.72 0.90 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.34 0.00 1.99 2.04 0.00 3.75 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 2.08 2.17 0.00 33 R 8.15 4.11 0.00 1.47 1.65 0.00 2.21 0.00 0.00 2.73 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.26 0.00 34 G 8.19 3.95 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 0.00 0.00 0.00 35 L 7.74 3.91 0.00 1.67 1.71 0.82 0.90 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 36 A 6.73 4.73 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.93 4.52 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 0.93 0.00 0.00 0.92 0.00 0.00 38 L 8.46 4.23 0.00 1.55 1.59 0.92 0.80 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 39 A 9.03 4.52 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 40 T 7.79 4.04 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 1.24 0.00 0.00 41 E 8.98 3.84 0.00 1.96 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 0.00 2.33 2.40 0.00 42 S 8.47 4.07 0.00 3.85 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 43 N 8.22 4.08 0.00 2.78 2.84 0.00 0.00 6.81 6.74 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 44 L 8.73 3.96 0.00 1.83 1.75 0.94 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.35 4.00 0.00 1.98 2.06 0.00 1.33 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.70 1.45 7.81 46 A 8.13 4.01 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 47 L 7.69 3.88 0.00 1.81 1.94 0.97 0.68 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 48 E 7.83 3.69 0.00 2.13 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 2.32 2.50 0.00 49 A 8.45 4.01 1.32 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 50 R 8.01 3.87 0.00 1.97 2.03 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 51 I 8.29 3.74 2.01 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 1.58 0.74 0.91 0.00 0.00 52 R 7.89 4.15 0.00 2.05 2.17 0.00 2.80 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.63 0.00 53 A 7.89 3.81 1.32 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 54 Q 8.42 4.07 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 55 A 7.71 4.25 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 56 K 8.32 4.42 0.00 1.84 1.90 0.00 1.60 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.65 7.81 57 R 7.77 4.19 0.00 1.90 1.95 0.00 3.17 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 58 L 7.36 4.39 0.00 1.84 1.62 0.90 0.96 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 59 A 7.75 4.81 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 60 E 7.90 4.59 0.00 2.15 1.90 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 2.19 2.29 0.00 61 R 8.05 4.35 0.00 1.82 2.00 0.00 3.26 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 62 K 8.06 4.56 0.00 1.71 1.76 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.38 7.81 63 A 7.93 4.67 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 64 E 7.84 4.46 0.00 2.08 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 2.54 2.38 0.00 65 A 8.01 4.52 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 66 E 8.02 4.67 0.00 1.92 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 2.20 2.24 0.00 67 R 7.69 4.66 0.00 1.75 1.90 0.00 3.37 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 68 L 7.58 4.63 0.00 1.62 1.77 0.91 0.49 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 69 K 8.16 4.23 0.00 1.95 1.78 0.00 1.81 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.63 7.81 70 E 8.05 4.44 0.00 1.97 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 2.30 2.24 0.00 71 I 7.65 4.33 1.87 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 1.83 0.91 0.91 0.00 0.00 72 L 7.36 4.69 0.00 1.81 1.68 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 73 E 7.65 4.37 0.00 1.86 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 2.32 2.39 0.00 74 N 7.78 4.75 0.00 2.70 2.81 0.00 0.00 6.92 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 75 L 7.57 4.15 0.00 1.56 1.87 0.97 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 76 T 8.18 4.73 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 1.22 0.00 0.00 77 L 7.70 4.35 0.00 1.65 1.67 0.87 0.70 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 78 T 8.10 3.46 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 1.25 0.00 0.00 79 I 8.81 4.50 1.89 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 1.23 1.27 0.92 0.00 0.00 80 P 0.00 4.76 0.00 1.93 2.01 0.00 3.66 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 2.02 2.07 0.00 81 V 7.75 4.04 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 0.69 0.00 0.00 0.94 0.00 0.00 82 R 8.64 3.87 0.00 1.92 1.87 0.00 3.31 0.00 0.00 3.59 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.62 0.00 83 A 7.78 3.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 7.73 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 0.00 0.00 0.00 0.00 85 E 8.06 3.84 0.00 2.19 1.45 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 2.20 2.29 0.00 86 T 8.49 3.86 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 1.29 0.00 0.00 87 K 7.83 4.39 0.00 1.89 1.78 0.00 1.64 0.00 0.00 1.85 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.54 1.58 7.81 88 I 8.23 4.26 1.87 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 1.50 1.05 0.97 0.00 0.00 89 Y 7.95 4.13 0.00 3.20 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 90 G 8.59 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 91 S 8.68 4.24 0.00 3.89 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 92 V 7.80 4.41 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 0.72 0.00 0.00 0.92 0.00 0.00 93 T 8.81 4.49 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 94 A 8.98 4.55 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 95 K 7.91 3.90 0.00 1.81 1.87 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.53 7.81 96 D 8.26 4.65 0.00 2.68 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 97 I 7.74 3.73 2.01 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 1.56 1.43 0.89 0.00 0.00 98 A 8.93 3.92 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 99 E 9.00 3.86 0.00 1.99 2.31 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 2.31 2.36 0.00 100 A 8.63 4.33 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 0.00 101 L 7.48 4.31 0.00 1.90 1.75 0.78 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.20 5.03 0.00 3.95 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 R 7.44 4.64 0.00 1.85 1.87 0.00 3.20 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 104 Q 8.21 4.37 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 105 H 8.33 4.65 0.00 3.10 3.28 0.00 5.73 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 8.63 4.65 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 0.00 107 V 8.03 4.47 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 0.92 0.00 0.00 108 T 8.21 4.78 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 1.23 0.00 0.00 109 I 7.86 4.50 1.93 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 1.27 0.28 0.51 0.00 0.00 110 D 8.67 4.86 0.00 2.90 2.65 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 0.00 111 P 0.00 4.69 0.00 2.19 2.17 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 112 K 8.32 4.48 0.00 1.78 1.81 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.34 1.37 7.81 113 R 7.91 4.13 0.00 1.67 0.95 0.00 3.11 0.00 0.00 3.06 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 114 L 7.72 4.21 0.00 1.69 1.77 0.99 0.79 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 0.00 115 A 7.87 3.61 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 L 7.85 4.24 0.00 1.58 1.61 0.84 1.03 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 0.00 117 E 8.41 3.99 0.00 2.10 2.04 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 2.25 2.33 0.00 118 K 7.47 4.63 0.00 1.77 1.69 0.00 1.66 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.37 7.81 119 P 0.00 4.21 0.00 2.20 2.26 0.00 3.75 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 2.06 1.98 0.00 120 I 7.99 2.97 1.78 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.21 0.76 0.00 0.00 121 K 9.21 3.72 0.00 1.90 1.90 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.58 7.81 122 E 8.00 4.69 0.00 2.04 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 2.33 2.28 0.00 123 L 7.98 4.12 0.00 1.66 1.59 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 124 G 6.76 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 0.00 125 E 7.72 4.72 0.00 1.73 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 2.11 2.18 0.00 126 Y 9.06 4.48 0.00 2.97 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 0.00 127 V 8.15 4.59 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 0.83 0.00 0.00 1.00 0.00 0.00 128 L 8.07 4.81 0.00 1.45 1.26 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 129 T 8.22 4.26 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 1.24 0.00 0.00 130 Y 8.38 4.97 0.00 2.97 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 0.00 131 K 6.92 4.26 0.00 1.62 1.29 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.15 1.28 7.81 132 P 0.00 5.01 0.00 2.24 2.01 0.00 3.88 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.89 0.00 133 H 8.64 3.82 0.00 3.35 2.79 0.00 5.59 0.00 0.00 0.00 0.00 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.13 0.00 1.95 2.29 0.00 3.78 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 2.06 2.17 0.00 135 E 8.35 4.23 0.00 1.96 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 2.31 2.50 0.00 136 V 7.81 4.56 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 1.00 0.00 0.00 0.95 0.00 0.00 137 P 0.00 4.80 0.00 2.12 2.20 0.00 3.93 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.02 0.00 138 I 8.41 4.49 1.86 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.83 0.87 0.00 0.00 139 Q 8.46 5.16 0.00 2.11 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 140 L 9.55 4.83 0.00 1.74 1.57 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.47 5.18 0.00 1.71 1.68 0.00 2.00 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.68 1.27 7.81 142 V 8.17 3.94 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 0.91 0.00 0.00 1.24 0.00 0.00 143 S 9.32 4.56 0.00 3.84 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 0.00 144 V 7.99 4.16 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 0.68 0.00 0.00 0.88 0.00 0.00 145 V 8.06 2.97 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 0.78 0.00 0.00 0.90 0.00 0.00 *146 A 8.57 4.12 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 * Residues marked with a * may have inaccurate shift predictions.