NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.1316 8.3549 109.7821 46.0115 0.0000 173.4533 2 D 4.3976 8.2246 122.8836 55.3857 41.8193 176.3339 3 S 4.5116 8.1551 108.3488 59.3564 66.7331 173.9286 4 E 4.5027 7.9601 115.5127 54.9258 31.3545 174.5193 5 R 3.6371 8.0602 116.7730 57.5714 30.1197 175.1104 6 H 4.5765 8.0840 122.6075 53.9775 31.8592 173.3773 7 F 5.0972 7.7718 123.7038 56.0059 42.4911 174.1452 8 V 4.5576 7.7540 120.8921 61.3107 34.2709 172.7775 9 V 5.6690 8.2013 113.2447 59.0067 36.0495 175.1627 10 Q 4.5607 9.2559 120.6088 54.4599 33.1027 173.6837 11 F 4.9705 8.9393 126.2650 56.5530 41.5009 174.7744 12 Q 4.1001 8.0693 125.3894 53.2004 30.9200 172.4512 13 P 4.6159 0.0000 0.0000 61.7219 33.1389 175.5496 14 F 4.5612 9.2788 120.5712 55.8379 43.1077 173.3602 15 C 5.0383 8.5768 119.7312 55.3484 43.3052 173.2766 16 Y 4.4419 8.8969 123.9407 56.9945 38.4756 174.8325 17 F 5.2614 8.7490 123.5240 56.3476 40.9871 175.8396 18 T 4.5009 8.5106 118.9343 62.7746 72.6668 172.9436 19 N 4.2544 9.9041 122.0434 54.9759 37.8654 174.2001 20 G 3.8226 7.6111 114.5808 47.0922 0.0000 172.4037 21 T 4.2819 8.2998 114.5752 60.9399 68.1714 175.3192 22 Q 3.8641 7.1062 120.5801 58.8641 29.4398 175.9999 23 R 4.3954 8.0824 117.2848 56.0448 32.1640 175.6799 24 I 4.7970 8.2506 126.1696 60.0955 40.9346 174.0795 25 R 4.6503 8.9657 128.4430 54.5831 32.4675 173.8485 26 Y 5.4505 9.2059 128.1070 56.0293 41.2076 174.2652 27 V 4.8300 8.7494 126.5593 61.3236 35.1598 174.2073 28 T 4.7722 8.9959 123.4877 61.8072 71.8471 172.9289 29 R 4.9104 8.3519 125.1775 54.5479 33.3274 174.4644 30 Y 4.5467 8.9139 121.9420 56.4394 39.8353 174.7042 31 I 4.4931 8.6033 125.9683 60.2873 39.8355 174.7854 32 Y 4.8497 10.2328 128.6245 57.9034 38.7173 176.2955 33 N 4.4832 7.7809 118.1063 54.1609 40.8011 175.7522 34 R 4.5483 7.6940 114.7464 55.4434 31.9796 174.1188 35 E 4.5930 8.0846 118.0635 54.5535 31.2904 174.1482 36 E 4.6214 8.8829 127.7843 56.0433 30.0860 174.9347 37 Y 4.7737 8.6839 125.3831 57.3730 40.6673 175.2072 38 L 5.1601 6.7985 120.0664 53.4033 46.5455 175.0407 39 R 5.1593 8.3012 118.5572 55.6599 34.2731 172.8574 40 F 4.8822 9.1545 128.6945 56.3823 42.1490 173.7807 41 D 4.6935 6.7997 124.0997 52.2460 43.5051 175.7305 42 S 3.8251 8.8635 122.2541 61.6406 63.0493 175.8294 43 D 4.3997 8.5767 120.4240 56.7400 40.8197 177.7422 44 V 3.6395 7.5914 117.7317 64.0260 31.8765 176.8790 45 G 3.9139 9.6843 107.0027 44.6819 0.0000 172.1166 46 E 4.8986 6.7577 116.5117 55.0929 32.1132 174.9318 47 Y 4.7036 8.9588 121.4854 58.3284 38.3074 175.7547 48 R 4.8487 9.2375 123.3798 54.0789 34.0858 174.7958 49 A 4.4285 8.5279 124.3074 51.7851 18.6671 177.7537 50 V 3.9419 8.6582 124.2948 65.4552 32.3029 176.2712 51 T 4.7783 7.7158 108.1877 58.4757 72.1880 173.7689 52 E 3.5184 8.9579 122.3067 59.8631 29.1065 178.9483 53 L 4.1038 7.6504 117.7243 56.9458 42.2463 178.0555 54 G 4.0766 8.8082 105.4064 44.3770 0.0000 175.0824 55 R 3.8975 7.7723 122.4110 59.1602 29.9307 176.7840 56 P 4.2184 0.0000 0.0000 64.9006 31.5424 177.3218 57 D 4.8294 7.9120 116.9849 56.3021 41.5212 177.5755 58 A 3.7883 7.5447 118.9579 56.0741 18.2806 178.7374 59 E 3.8301 8.3459 114.6222 59.6261 29.8133 178.6239 60 Y 4.0868 8.1815 118.1975 61.4357 38.7393 178.3841 61 Y 3.7531 8.8321 117.5856 60.9884 37.6601 178.1375 62 N 4.7041 8.2174 116.4334 55.8667 38.6870 177.1755 63 K 4.0745 7.5170 119.9255 59.3339 32.6269 179.0464 64 Q 3.5355 7.4903 118.1398 58.6775 28.5117 178.0000 *67 Y 5.1261 7.6604 115.7159 58.0736 40.4574 177.2563 68 L 4.0100 7.9195 120.5887 58.0415 41.3645 179.2268 69 E 4.0081 8.2496 118.5044 59.1456 29.5595 178.9944 70 R 3.9753 8.2272 118.1827 59.5934 30.0549 178.9114 71 T 4.1313 7.7727 114.7988 66.1200 68.7239 176.1414 72 R 4.0989 7.6288 119.0417 59.3981 30.0647 178.8855 73 A 4.0090 7.6440 118.9762 55.2793 17.9002 179.3040 74 E 3.8972 7.9408 117.9210 58.7253 29.4308 179.1984 75 L 3.5598 7.5430 119.7331 57.4536 42.0098 178.1619 76 D 4.5774 8.5231 118.3029 56.3660 41.9364 178.7094 77 T 4.0603 7.7806 108.7009 63.7658 68.8056 174.2911 78 V 4.2471 8.1317 119.0509 65.0779 33.5809 176.1943 79 C 4.5511 7.9249 115.4119 60.2180 39.6345 175.8856 80 R 4.0032 8.5472 119.7784 59.8340 29.8052 178.3956 81 Y 4.0017 8.0767 118.8098 60.9761 38.8771 177.7021 82 N 4.3128 9.0551 117.8611 56.4118 38.6155 176.8734 83 Y 3.6390 8.1426 120.7499 60.8690 38.7348 177.9103 84 E 4.1285 8.1416 117.9208 58.8644 29.6400 178.5755 84A E 4.0619 8.1032 118.4657 58.0804 29.9094 177.8354 85 T 4.3603 7.7396 107.9372 62.4981 70.7155 176.1587 86 E 3.9482 7.7438 120.8291 58.9151 29.4699 178.6344 87 V 3.3871 7.0728 117.7873 65.3961 31.4047 175.0843 88 P 4.5103 0.0000 0.0000 63.2109 31.6905 175.4495 89 T 4.2667 7.2941 107.6747 62.6256 71.7843 176.3309 90 S 4.1240 8.1723 114.8859 60.6288 63.9274 176.7802 91 L 4.2485 7.8033 118.2726 55.8683 41.4528 177.1546 92 R 4.4450 7.3861 117.3226 55.6218 30.7980 175.5484 93 R 4.1020 7.7822 118.0570 56.8886 30.4185 175.4453 94 L 5.2154 8.4687 124.3609 53.3115 45.4878 175.5706 95 E 4.8349 9.5654 123.3418 54.5761 33.2643 175.2476 96 Q 5.0379 8.7556 123.1518 54.0556 29.9263 174.2059 97 P 4.6052 0.0000 0.0000 63.1925 32.3016 175.0219 98 N 4.8309 9.4822 123.3478 52.2173 40.7374 173.6499 99 V 4.8857 8.4387 125.6523 61.3140 33.8877 174.8348 100 V 4.6640 8.6487 120.6917 59.6723 35.9989 174.5841 101 I 5.2054 8.5552 124.2974 59.7636 39.3171 175.1113 102 S 4.8621 8.9975 119.9486 56.5923 66.8034 172.4008 103 L 4.7530 8.5135 122.4343 53.2486 43.9939 176.0031 104 S 4.8131 8.2498 120.2897 57.7724 63.3027 174.5913 105 R 4.2526 7.8073 120.6060 56.4109 35.5917 174.7659 106 T 4.3620 8.4942 122.1770 63.2487 70.0047 174.6886 107 E 4.3340 8.5775 126.1287 55.0444 28.5960 174.6546 108 A 4.9232 8.0373 128.9798 50.6405 22.0050 175.4782 109 L 4.4103 8.2324 115.2860 54.5673 42.1717 176.0601 110 N 4.3943 7.5543 112.0233 54.3073 41.3646 172.8569 111 H 4.6312 8.1690 122.0333 55.7072 33.8263 172.8316 112 H 4.9141 8.8978 120.7617 55.2076 29.0819 173.2426 113 N 5.3485 8.6055 123.6722 51.4623 42.9358 172.4587 114 T 4.8314 7.9615 114.8506 62.7800 72.8069 173.3796 115 L 4.5095 8.1048 126.7737 53.6917 43.7972 175.9422 116 V 4.9026 9.0496 122.3511 61.3562 34.8174 173.3625 117 C 5.1554 9.9245 129.0960 55.3314 41.1212 172.4249 118 S 4.8549 8.8951 124.3527 57.7093 64.1316 173.8384 119 V 4.6247 8.7719 126.5525 61.3713 32.5643 174.3737 120 T 4.9915 8.8406 117.6283 59.7064 72.3261 173.8536 121 D 4.5462 8.6172 118.3923 55.3792 38.5153 173.8710 122 F 5.2853 7.3703 113.2857 56.1715 40.9457 173.7256 123 Y 5.2337 8.6829 117.5060 56.5599 42.6080 172.7550 124 P 3.7707 0.0000 0.0000 62.0517 33.5704 174.9438 125 A 3.4293 8.5430 121.3777 55.4403 18.2645 178.2363 126 K 3.7097 7.5693 114.8389 57.0540 32.2737 175.0245 127 I 4.4508 7.6678 123.6329 60.1744 41.0774 173.0389 128 K 4.6254 8.5707 127.4692 54.6709 35.5903 175.0410 129 V 4.9355 8.3997 126.0102 61.2991 34.3488 174.5320 130 R 4.7726 9.0986 125.3485 54.3905 35.1531 173.7922 131 W 5.4437 8.5383 120.1584 55.1990 32.1261 174.9879 132 F 5.3605 9.8675 121.9334 55.6997 43.0946 174.0154 133 R 4.5841 9.2047 121.9584 54.5832 32.6034 175.2804 134 N 4.1034 9.9453 126.8691 54.4737 36.6342 175.6868 135 G 3.9459 8.3566 103.0574 45.7754 0.0000 173.3871 136 Q 4.8037 8.0139 119.5500 53.6156 30.8274 174.7226 137 E 3.7589 8.8130 123.1325 55.8844 30.2537 175.5784 138 E 4.5786 8.7653 126.7799 55.0467 30.6555 175.8282 139 T 4.4782 8.2399 112.7387 61.6962 70.7828 175.5518 140 V 3.6115 7.8303 121.7403 65.5927 32.2633 177.2547 141 G 4.0537 7.6557 106.8511 46.3772 0.0000 172.5633 142 V 5.1730 7.5791 118.4620 60.7887 34.4000 175.3313 143 S 4.8810 9.1658 121.8301 56.8851 66.4730 173.0833 144 S 5.4403 8.6027 117.0648 56.5857 65.8621 173.5826 145 T 4.2681 8.7283 112.6803 61.5735 69.9052 173.6951 146 Q 4.3443 8.3521 121.4328 54.4214 30.0594 175.4679 147 L 4.1069 8.3022 121.1955 55.8197 42.8918 176.0051 148 I 4.4392 8.6387 127.2168 59.7201 39.1955 174.5796 149 R 4.5607 8.6132 128.3826 55.4655 29.8658 176.0850 150 N 4.3455 8.7310 124.4549 54.1276 38.9364 177.1902 151 G 3.7501 8.0725 105.5464 45.4207 0.0000 173.3806 152 D 4.9051 7.2502 117.4454 52.7020 39.5174 176.0458 153 W 3.2367 8.5125 116.8213 57.9717 25.7468 173.6675 154 T 4.9087 7.2973 105.6335 60.5279 72.5405 172.1041 155 F 5.3148 8.4760 120.0458 55.9479 43.8028 173.7285 156 Q 5.2878 8.6039 116.2278 55.4596 32.3751 173.9521 157 V 4.9503 9.0234 119.2454 60.4647 35.3232 173.3338 158 L 5.2650 8.7770 123.7344 52.9787 44.7583 175.5150 159 V 4.9063 8.6795 122.5785 61.5771 34.4652 174.1743 160 M 5.1458 9.6151 128.2895 53.8607 35.0180 175.1922 161 L 4.7698 8.2347 122.9072 53.1019 45.2037 175.3084 162 E 4.5663 9.2603 128.3699 56.5841 30.0385 176.3333 163 M 4.6966 8.6180 121.4007 54.2870 35.7855 174.1533 164 T 5.5317 8.4854 114.1709 59.5649 70.4290 172.1349 165 P 4.5853 0.0000 0.0000 63.9200 32.4057 175.8228 166 R 5.1594 8.3872 119.4912 54.8378 34.6654 174.3505 167 R 3.9832 8.7715 115.9235 57.9819 30.0543 176.3472 168 G 4.2015 8.8150 108.0606 46.1235 0.0000 171.8965 169 E 4.3779 7.9413 120.4415 55.3762 31.0898 175.3563 170 V 4.7282 8.9561 127.2014 61.4867 33.9433 173.7016 171 Y 5.3586 9.1869 125.6947 56.9533 40.5124 174.9650 172 T 5.3776 9.7222 119.3483 62.1337 73.4377 171.9099 173 C 4.6114 9.2506 126.3055 55.1022 45.5690 171.5843 174 H 5.3414 9.1990 127.3306 54.4979 31.6760 173.3022 175 V 4.8003 8.7220 125.7054 61.0826 34.6893 173.7741 176 E 4.9580 8.7831 126.9423 54.8756 32.6946 174.5206 177 H 4.9301 8.5639 121.9112 54.2743 32.9644 172.4008 178 P 4.3366 0.0000 0.0000 65.2650 31.5551 177.1885 179 S 4.5635 7.9679 110.8944 58.2166 63.7367 173.2078 180 L 4.9751 8.1152 121.8932 53.1472 43.5899 176.6982 181 K 4.2123 8.6291 121.7011 58.0510 32.6940 177.2171 182 S 4.8324 7.5496 112.0465 55.5665 66.3892 171.7438 183 P 4.5674 0.0000 0.0000 62.6880 31.9751 176.2235 184 I 4.3416 8.5082 124.5311 60.8758 38.9003 175.1270 185 T 5.5983 8.1963 114.9364 59.1990 71.4779 173.0846 186 V 4.5402 8.4903 125.1495 61.0046 34.6881 173.8158 187 E 5.4678 8.8883 125.4799 54.4811 32.7360 175.0718 188 W 5.0804 9.6701 131.8703 55.8270 34.2000 173.9485 189 R 4.9150 7.7481 125.0673 53.6767 32.4329 175.7068 190 A 3.5632 7.7082 126.4833 52.3824 18.3342 177.1222 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 G 8.35 4.13 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 0.00 0.00 0.00 2 D 8.22 4.40 0.00 2.80 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 3 S 8.16 4.51 0.00 3.91 3.90 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 4 E 7.96 4.50 0.00 1.85 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 2.15 2.22 0.00 5 R 8.06 3.64 0.00 1.81 1.74 0.00 3.38 0.00 0.00 3.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 6 H 8.08 4.58 0.00 3.01 2.99 0.00 5.86 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 F 7.77 5.10 0.00 3.05 2.91 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 8 V 7.75 4.56 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 0.57 0.00 0.00 0.96 0.00 0.00 9 V 8.20 5.67 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 1.16 0.00 0.00 1.04 0.00 0.00 10 Q 9.26 4.56 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 11 F 8.94 4.97 0.00 2.76 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 12 Q 8.07 4.10 0.00 1.99 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.70 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 13 P 0.00 4.62 0.00 2.05 1.76 0.00 3.22 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.92 0.00 14 F 9.28 4.56 0.00 2.74 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 0.00 0.00 0.00 15 C 8.58 5.04 0.00 2.66 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 0.00 0.00 0.00 16 Y 8.90 4.44 0.00 2.97 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 17 F 8.75 5.26 0.00 3.13 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 0.00 18 T 8.51 4.50 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 1.25 0.00 0.00 19 N 9.90 4.25 0.00 2.84 2.76 0.00 0.00 7.12 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 20 G 7.61 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 0.00 0.00 0.00 21 T 8.30 4.28 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 0.81 0.00 0.00 22 Q 7.11 3.86 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 23 R 8.08 4.40 0.00 1.86 1.82 0.00 3.06 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 24 I 8.25 4.80 1.91 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.89 0.86 0.00 0.00 25 R 8.97 4.65 0.00 1.90 1.88 0.00 2.95 0.00 0.00 2.90 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 26 Y 9.21 5.45 0.00 3.05 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 27 V 8.75 4.83 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 0.95 0.00 0.00 1.01 0.00 0.00 28 T 9.00 4.77 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 1.94 0.00 0.00 29 R 8.35 4.91 0.00 1.74 1.82 0.00 3.26 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 30 Y 8.91 4.55 0.00 2.52 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 31 I 8.60 4.49 2.03 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 1.14 0.64 1.00 0.00 0.00 32 Y 10.23 4.85 0.00 3.18 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 33 N 7.78 4.48 0.00 2.55 2.64 0.00 0.00 6.55 7.66 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 34 R 7.69 4.55 0.00 1.68 1.86 0.00 3.25 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 35 E 8.08 4.59 0.00 2.14 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 2.41 2.35 0.00 36 E 8.88 4.62 0.00 1.98 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 2.28 2.27 0.00 37 Y 8.68 4.77 0.00 3.15 3.28 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 38 L 6.80 5.16 0.00 1.83 1.14 0.84 -0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.30 5.16 0.00 1.90 1.72 0.00 3.06 0.00 0.00 3.05 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.65 0.00 40 F 9.15 4.88 0.00 2.21 2.72 0.00 0.00 0.00 0.00 0.00 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0.00 1.96 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 2.43 2.62 0.00 84A E 8.10 4.06 0.00 1.26 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 1.54 2.09 0.00 85 T 7.74 4.36 4.19 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 1.15 0.00 0.00 86 E 7.74 3.95 0.00 1.59 1.63 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 0.00 2.47 2.06 0.00 87 V 7.07 3.39 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 0.73 0.00 0.00 0.92 0.00 0.00 88 P 0.00 4.51 0.00 2.15 2.08 0.00 3.63 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.86 0.00 89 T 7.29 4.27 4.04 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 1.09 0.00 0.00 90 S 8.17 4.12 0.00 4.35 4.31 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 91 L 7.80 4.25 0.00 1.54 1.70 0.13 0.73 0.00 0.00 0.00 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0.00 0.00 0.88 0.00 0.00 100 V 8.65 4.66 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 0.72 0.00 0.00 0.98 0.00 0.00 101 I 8.56 5.21 2.14 0.00 0.00 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 1.46 0.64 1.06 0.00 0.00 102 S 9.00 4.86 0.00 3.88 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 0.00 103 L 8.51 4.75 0.00 1.50 1.60 0.55 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 104 S 8.25 4.81 0.00 3.79 3.78 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 0.00 105 R 7.81 4.25 0.00 1.69 1.60 0.00 3.32 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 106 T 8.49 4.36 4.19 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 1.23 0.00 0.00 107 E 8.58 4.33 0.00 2.00 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 2.31 2.42 0.00 108 A 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.93 0.00 0.00 117 C 9.92 5.16 0.00 2.43 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 S 8.90 4.85 0.00 3.87 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 0.00 119 V 8.77 4.62 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 0.79 0.00 0.00 0.86 0.00 0.00 120 T 8.84 4.99 4.30 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 0.00 0.00 0.00 1.28 0.00 0.00 121 D 8.62 4.55 0.00 2.93 2.85 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 0.00 122 F 7.37 5.29 0.00 2.97 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 0.00 123 Y 8.68 5.23 0.00 3.19 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 0.00 124 P 0.00 3.77 0.00 1.86 1.72 0.00 3.89 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 125 A 8.54 3.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 K 7.57 3.71 0.00 1.67 1.73 0.00 1.78 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.44 7.81 127 I 7.67 4.45 1.51 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.62 0.86 0.00 0.00 128 K 8.57 4.63 0.00 1.82 1.54 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.35 7.81 129 V 8.40 4.94 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 0.69 0.00 0.00 0.82 0.00 0.00 130 R 9.10 4.77 0.00 1.82 1.64 0.00 3.26 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 131 W 8.54 5.44 0.00 3.21 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 0.00 132 F 9.87 5.36 0.00 3.08 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 0.00 133 R 9.20 4.58 0.00 1.69 1.70 0.00 3.21 0.00 0.00 3.30 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.93 0.00 134 N 9.95 4.10 0.00 2.78 2.82 0.00 0.00 7.10 7.66 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 0.00 135 G 8.36 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 0.00 136 Q 8.01 4.80 0.00 2.25 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.95 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 137 E 8.81 3.76 0.00 1.75 1.68 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 1.82 1.47 0.00 138 E 8.77 4.58 0.00 1.98 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 2.41 0.00 139 T 8.24 4.48 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 1.16 0.00 0.00 140 V 7.83 3.61 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 0.78 0.00 0.00 0.92 0.00 0.00 141 G 7.66 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 142 V 7.58 5.17 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 1.02 0.00 0.00 0.93 0.00 0.00 143 S 9.17 4.88 0.00 3.90 3.89 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 0.00 144 S 8.60 5.44 0.00 3.96 3.89 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 0.00 145 T 8.73 4.27 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 1.28 0.00 0.00 146 Q 8.35 4.34 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.94 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 147 L 8.30 4.11 0.00 1.57 1.53 0.85 0.16 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 0.00 148 I 8.64 4.44 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.27 0.93 0.00 0.00 149 R 8.61 4.56 0.00 1.96 1.85 0.00 3.19 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.40 0.00 150 N 8.73 4.35 0.00 2.99 2.77 0.00 0.00 6.56 8.32 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 0.00 151 G 8.07 3.75 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 0.00 0.00 0.00 152 D 7.25 4.91 0.00 2.66 2.71 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 0.00 153 W 8.51 3.24 0.00 3.24 3.05 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 0.00 0.00 0.00 154 T 7.30 4.91 4.07 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 1.21 0.00 0.00 155 F 8.48 5.31 0.00 1.60 2.39 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 0.00 156 Q 8.60 5.29 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 157 V 9.02 4.95 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 0.81 0.00 0.00 1.03 0.00 0.00 158 L 8.78 5.26 0.00 1.67 1.64 0.95 0.71 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 0.00 159 V 8.68 4.91 2.16 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 1.24 0.00 0.00 0.95 0.00 0.00 160 M 9.62 5.15 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 161 L 8.23 4.77 0.00 0.34 0.13 0.70 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 162 E 9.26 4.57 0.00 1.79 1.86 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 2.47 2.36 0.00 163 M 8.62 4.70 0.00 1.79 1.88 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.58 0.00 164 T 8.49 5.53 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 1.27 0.00 0.00 165 P 0.00 4.59 0.00 2.32 2.44 0.00 3.84 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 2.15 2.11 0.00 166 R 8.39 5.16 0.00 1.86 1.90 0.00 3.41 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.96 0.00 167 R 8.77 3.98 0.00 2.00 2.08 0.00 3.12 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 168 G 8.82 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 E 7.94 4.38 0.00 2.13 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 1.96 2.16 0.00 170 V 8.96 4.73 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.96 0.00 0.00 171 Y 9.19 5.36 0.00 3.43 3.22 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 0.00 172 T 9.72 5.38 4.47 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 1.30 0.00 0.00 173 C 9.25 4.61 0.00 2.12 2.66 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 0.00 174 H 9.20 5.34 0.00 3.47 3.36 0.00 5.77 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 V 8.72 4.80 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 0.84 0.00 0.00 0.79 0.00 0.00 176 E 8.78 4.96 0.00 1.93 1.77 0.00 0.00 0.00 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 2.20 0.00 177 H 8.56 4.93 0.00 3.03 3.00 0.00 5.89 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 P 0.00 4.34 0.00 1.94 2.07 0.00 2.99 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 1.90 2.00 0.00 179 S 7.97 4.56 0.00 4.10 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 0.00 180 L 8.12 4.98 0.00 1.68 1.82 0.88 0.93 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 0.00 181 K 8.63 4.21 0.00 1.74 1.86 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.46 7.81 182 S 7.55 4.83 0.00 3.78 3.70 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 0.00 183 P 0.00 4.57 0.00 1.72 1.74 0.00 3.63 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 2.03 2.10 0.00 184 I 8.51 4.34 1.79 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 1.25 0.69 0.87 0.00 0.00 185 T 8.20 5.60 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 1.12 0.00 0.00 186 V 8.49 4.54 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 1.16 0.00 0.00 0.97 0.00 0.00 187 E 8.89 5.47 0.00 1.94 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 2.28 2.31 0.00 188 W 9.67 5.08 0.00 3.54 3.25 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 0.00 189 R 7.75 4.92 0.00 1.45 1.62 0.00 3.20 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 190 A 7.71 3.56 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 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.