NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3470 8.3149 120.1414 55.3943 33.6072 175.5758 2 P 4.2336 0.0000 0.0000 61.8633 32.1085 175.9519 3 A 4.2165 8.4560 123.2834 54.7538 19.1031 179.7609 4 S 4.1716 8.1770 111.9086 61.8623 62.7500 176.1458 5 M 4.0172 7.5623 121.1280 57.1822 30.8952 176.3130 6 Y 4.8888 8.4716 113.9323 57.0021 40.6719 177.1959 7 R 4.3629 8.0000 116.4733 57.8567 29.9168 176.3118 8 D 4.9968 7.2434 118.3192 53.3221 42.2548 177.0271 9 I 4.2839 7.9485 123.7186 59.9366 35.6463 175.0965 10 D 5.0194 8.0714 120.4636 52.2912 40.1468 176.6877 11 K 4.6561 7.6945 116.6123 54.5182 36.1426 174.2676 12 P 4.3761 0.0000 0.0000 62.3782 31.8640 176.1459 13 A 4.3122 8.4466 123.2889 52.5161 18.8120 177.4053 14 Y 4.9238 10.1457 126.0734 55.6276 38.6860 175.2768 15 T 4.5064 7.9657 111.5069 60.2378 70.7863 174.9651 16 R 4.1083 7.8095 121.3917 56.4757 28.9548 177.3157 17 R 4.0022 8.3490 123.5752 58.1903 30.3695 178.9039 18 E 3.9078 7.7939 114.6887 57.9985 29.8375 176.8674 19 Y 4.8359 7.4606 115.2860 57.4256 39.0526 175.1471 20 I 4.6422 7.4711 119.9031 59.6498 40.4588 174.7526 21 T 4.5680 8.3336 114.2014 60.7255 71.5389 173.5646 22 G 3.8345 8.7555 107.5552 46.3357 0.0000 173.6266 23 I 3.8760 7.6882 120.6296 59.8152 37.2614 174.5159 24 P 4.3664 0.0000 0.0000 62.4383 31.8234 176.5700 25 G 3.7995 8.2484 109.2191 45.0945 0.0000 173.6833 26 S 4.2225 8.3294 115.3726 58.0488 62.9742 174.3058 27 K 4.3331 8.7008 124.1041 56.4655 32.5148 176.8083 28 I 4.0764 7.4186 121.1246 60.9058 36.9931 175.8800 29 A 4.1954 9.7113 130.3937 54.8478 18.4679 177.4999 30 Q 4.7015 7.6325 111.2729 55.0848 32.9565 174.0760 31 H 4.7158 8.8808 115.8129 55.6381 31.5947 173.9927 32 K 5.0373 8.1804 116.7196 55.0339 34.6685 175.4039 33 M 4.5241 9.2824 125.1961 54.0877 35.5281 176.4105 34 G 3.1389 8.5896 105.8721 45.9533 0.0000 175.2955 35 R 4.2088 8.0671 121.6066 54.9159 28.9925 176.8192 36 K 4.3394 8.2650 120.6553 57.3450 33.2373 178.2221 37 Q 4.1288 7.8951 118.3613 57.3599 29.2114 175.7239 38 K 4.4887 7.3330 117.8547 54.8450 34.0192 175.2292 39 D 4.7514 8.2507 122.7582 52.8081 42.1891 178.0755 40 A 3.7183 8.1908 124.4730 54.9230 18.4648 179.7623 41 D 4.4107 7.9116 114.7234 57.2968 41.0172 176.9430 42 D 4.6102 7.9457 116.8994 54.6709 40.6309 175.4338 43 Y 4.7873 7.5080 117.3231 55.6300 40.5145 174.3154 44 P 4.5784 0.0000 0.0000 64.3211 32.4423 176.5621 45 V 5.3393 8.0617 119.4022 60.0296 34.7800 174.2616 46 Q 4.8057 8.7443 127.5383 54.5713 32.1046 173.4109 47 I 5.0149 8.4273 127.6178 59.6312 40.4752 175.1272 48 S 5.2852 9.3791 122.4701 56.6564 66.7463 172.8746 49 L 4.6326 8.3918 125.0393 53.7676 43.4313 175.0206 50 I 4.8930 8.9166 128.3607 59.5265 39.3643 175.4159 51 V 4.0623 8.4452 127.1946 63.0170 32.1994 176.1962 52 E 4.3414 8.7827 126.1741 56.8298 30.2091 176.1462 53 E 4.7170 7.8363 117.8782 54.3537 33.5512 175.1110 54 T 4.4134 8.3857 118.9407 64.1510 69.5016 174.1441 55 V 4.5392 8.6941 118.0954 61.0985 37.1874 171.8707 56 Q 5.1000 8.9828 119.9087 54.3784 31.9085 175.2991 57 L 4.7587 8.7238 123.3865 52.6582 44.4385 176.6150 58 R 4.3964 8.6235 123.8164 56.0988 30.9177 177.7637 59 H 4.1817 9.2059 118.1198 58.9400 28.1676 178.2505 60 G 3.4699 7.7320 108.0730 47.7170 0.0000 175.8209 61 S 4.2025 8.2597 117.7287 61.0947 62.8794 176.6123 62 L 3.9796 7.8299 121.2475 57.9248 41.4973 178.8139 63 E 3.9443 8.1658 118.8692 59.3352 29.3752 178.8580 64 A 3.9854 7.8855 120.3002 55.1379 18.5255 179.8153 65 S 4.0219 8.2776 112.9597 61.6558 63.0962 176.5468 66 R 3.6990 8.6673 123.1395 58.7531 29.7862 178.1273 67 L 3.9381 8.0461 120.2728 58.2208 42.0557 178.9570 68 S 4.2491 8.2328 112.1148 60.0505 63.2583 175.3914 69 A 4.3150 7.4578 124.6969 54.7176 19.1744 178.7737 70 N 4.1741 8.3077 115.6232 56.7322 39.0501 176.8654 71 R 3.8786 8.3765 120.5918 59.8108 30.0398 178.0212 72 H 4.1391 7.9268 117.4359 59.1424 30.1390 177.1132 73 L 3.6994 7.5878 120.0869 57.0817 41.2145 179.6026 74 I 3.9979 7.5707 120.1695 64.1252 37.1090 178.1744 75 K 4.0693 7.8729 118.8877 58.8417 32.0225 177.7157 76 E 4.2920 7.9377 116.9150 56.2751 30.2950 176.4257 77 L 4.5352 7.9468 116.1792 53.6011 43.8905 177.4656 78 G 4.1016 8.6025 104.6744 45.3553 0.0000 174.4120 79 E 4.2367 8.4653 117.7426 58.1034 29.3937 178.0486 80 E 4.6390 7.9443 115.7826 56.0835 32.0566 175.2609 81 G 4.2206 7.9102 107.7370 45.2502 0.0000 174.3773 82 D 4.6817 8.5226 121.3108 52.5979 39.6412 174.3032 83 Y 4.9133 7.4311 121.7251 56.0325 41.9723 173.5527 84 K 4.7670 8.5109 117.2049 56.1788 36.2447 174.3674 85 M 5.4758 8.9829 124.0004 54.0507 35.8302 174.2168 86 T 5.2032 9.3983 120.8106 61.8260 72.8447 172.8567 87 L 4.6576 8.9815 129.3078 53.4754 42.1074 176.1049 88 R 4.3900 8.4311 122.0770 56.7654 30.0667 176.6663 89 K 4.7702 7.6410 119.0376 54.7704 34.4854 175.3658 90 F 4.7025 8.5304 119.9070 54.9072 42.0097 174.2887 91 P 4.6736 0.0000 0.0000 62.8738 29.6719 175.2388 92 H 4.4929 8.3525 123.4174 58.0042 29.7703 175.6720 93 Q 4.3631 8.0408 122.1290 55.6986 29.6999 175.4238 94 V 4.3615 8.8165 128.1850 62.6769 32.4513 175.1527 95 L 4.8878 8.8116 127.4803 53.2311 44.5358 175.5671 96 R 5.2998 8.3180 119.5381 54.8003 34.3516 174.4619 97 E 4.5203 8.5096 118.6954 55.7574 33.5121 174.2484 98 N 5.0211 8.9261 126.7533 52.2140 37.5693 173.2452 99 K 4.2048 7.8251 122.1744 54.0600 32.2405 174.4163 *111 D 4.4198 8.0704 123.1221 55.0256 42.3881 175.6835 112 G 4.0760 7.9877 115.1578 45.9436 0.0000 172.6404 113 M 4.3406 8.8538 124.1873 54.8663 32.0957 175.8781 114 R 3.8863 7.8479 119.7312 57.3568 31.3442 176.0094 115 A 3.7719 8.5955 126.2783 53.3680 15.9160 177.1489 116 A 4.2473 7.7777 123.2371 53.6586 19.4429 178.0829 117 F 3.8109 8.5151 117.4092 58.4882 39.4017 175.4654 118 G 3.7038 7.8190 116.7786 45.0372 0.0000 172.6104 119 K 4.4561 8.2869 119.5500 55.9122 34.7016 176.1261 120 I 4.5121 8.2857 122.4820 61.6993 37.1684 176.2601 121 V 4.3122 8.6448 118.8128 60.6370 33.8821 175.8779 122 G 3.9160 7.2280 106.7738 45.9808 0.0000 171.6539 123 T 5.2320 7.5044 107.2773 60.5205 72.6411 172.6234 124 A 5.0992 9.0045 122.8988 50.8591 23.4943 174.6673 125 A 4.9518 8.7703 121.2961 50.2332 21.5820 176.3273 126 R 4.6179 8.6116 121.7848 55.5272 31.3711 176.0990 127 V 4.4933 8.9243 124.4389 61.0341 34.3480 174.8397 128 Q 4.5651 9.6318 127.5136 55.0988 30.0599 175.8849 129 A 4.2117 8.2454 125.7781 53.9020 18.8723 178.4583 130 G 3.9766 9.7917 111.4533 45.1026 0.0000 173.8290 131 E 4.3493 7.7301 118.7968 55.9993 31.2950 175.6937 132 Q 4.6797 8.4177 120.8511 55.5055 29.5505 175.4184 133 L 4.0823 9.0449 127.3196 57.0594 43.2728 176.2243 134 F 5.4497 7.7976 116.0415 56.0872 43.1115 174.4016 135 T 5.1103 8.9608 116.8431 62.3567 73.0032 173.0505 136 A 5.1215 9.3782 127.7124 50.2908 23.2400 174.5487 137 Y 5.1583 8.5659 116.0510 56.6725 42.3361 174.8095 138 C 5.2866 9.1803 118.5664 57.3734 33.4800 172.5333 139 N 5.2075 8.8038 115.0600 51.8895 39.9011 176.8442 140 V 3.6283 8.7131 120.5472 66.2551 31.9260 177.5509 141 E 4.1066 7.9783 118.6472 59.7086 29.4306 178.7405 142 D 4.9722 7.9704 116.7020 54.8362 41.4996 178.6375 143 A 3.9553 7.8209 124.6926 55.2167 18.4996 180.0603 144 E 3.9787 7.9737 116.2456 59.1745 29.7955 178.8205 145 H 4.3159 7.9344 116.4521 58.4226 28.9102 177.7587 146 V 3.3625 7.3672 121.0220 64.2363 31.3007 178.6903 147 K 3.8993 7.6293 119.1066 58.8712 31.6680 178.7743 148 E 3.8970 7.9058 119.2754 58.7093 29.6874 178.4514 149 A 3.8522 7.5339 120.5143 54.9561 18.2544 179.6550 150 F 4.3983 7.8676 116.2803 60.5633 38.7738 177.8393 151 R 2.6694 7.4027 117.5781 59.1915 29.9068 178.5361 152 R 3.8497 7.5299 117.4021 58.9185 30.0405 178.8946 153 A 3.9536 7.6295 120.6810 55.0476 18.2215 178.6402 154 Y 4.4411 7.7593 113.4839 58.5046 38.3302 176.6662 155 N 4.8989 7.6931 117.7115 53.9289 39.0378 175.3930 156 K 4.6725 7.8211 119.3459 55.5869 32.9272 175.7059 157 I 4.7096 7.4918 111.0477 59.2033 40.3010 174.9884 158 T 3.8759 8.6258 120.1495 66.6855 68.5251 172.8531 159 P 4.5016 0.0000 0.0000 62.3766 32.5286 175.7840 160 S 4.4511 8.1593 114.4616 58.6082 64.3108 173.0648 161 C 5.1894 7.8864 117.6620 58.5254 32.6052 173.4341 162 R 4.5265 9.0461 119.4804 54.7859 32.5521 175.8296 163 I 4.6826 8.4443 124.7550 60.0943 37.1258 173.4238 164 D 4.7334 8.8879 126.8187 52.9886 43.0478 174.6003 165 S 5.0081 8.5901 120.6285 56.2526 63.5840 172.5999 166 S 4.9483 9.3277 129.9933 57.3524 63.3213 175.9327 167 P 4.1883 0.0000 0.0000 64.8434 31.8649 173.6290 168 A 5.1111 8.1966 126.9586 52.3342 19.8088 175.3445 169 G 4.0990 8.4517 110.2228 45.6727 0.0000 172.5091 170 N 4.6991 8.0048 116.1651 51.6275 37.6385 175.1387 171 A 4.3168 7.5821 124.3599 52.2661 19.3084 177.2521 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 4.35 0.00 1.88 1.97 0.00 2.14 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.52 7.81 2 P 0.00 4.23 0.00 2.24 1.96 0.00 3.59 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 3 A 8.46 4.22 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 4 S 8.18 4.17 0.00 4.00 4.02 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 5 M 7.56 4.02 0.00 1.03 1.91 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.33 0.00 6 Y 8.47 4.89 0.00 2.98 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 7 R 8.00 4.36 0.00 2.01 2.30 0.00 3.13 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 8 D 7.24 5.00 0.00 3.07 2.63 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 0.00 0.00 0.00 9 I 7.95 4.28 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.54 0.93 0.00 0.00 10 D 8.07 5.02 0.00 2.71 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 11 K 7.69 4.66 0.00 1.72 1.68 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.45 7.81 12 P 0.00 4.38 0.00 2.09 2.04 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 13 A 8.45 4.31 1.30 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 0.00 0.00 0.00 14 Y 10.15 4.92 0.00 2.86 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 7.97 4.51 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 16 R 7.81 4.11 0.00 2.08 2.24 0.00 3.32 0.00 0.00 3.39 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.77 0.00 17 R 8.35 4.00 0.00 1.78 1.90 0.00 3.08 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.56 0.00 18 E 7.79 3.91 0.00 1.39 1.74 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 1.47 1.47 0.00 19 Y 7.46 4.84 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 20 I 7.47 4.64 1.72 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.57 0.84 0.00 0.00 21 T 8.33 4.57 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 22 G 8.76 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 23 I 7.69 3.88 1.84 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 1.39 0.55 0.87 0.00 0.00 24 P 0.00 4.37 0.00 2.00 2.00 0.00 3.64 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 25 G 8.25 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.33 4.22 0.00 3.84 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.70 4.33 0.00 1.76 1.82 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.51 7.81 28 I 7.42 4.08 1.86 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.47 0.66 0.00 0.00 29 A 9.71 4.20 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 30 Q 7.63 4.70 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 31 H 8.88 4.72 0.00 3.15 3.29 0.00 5.75 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.18 5.04 0.00 1.65 1.77 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.54 7.81 33 M 9.28 4.52 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.65 0.00 34 G 8.59 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 0.00 0.00 0.00 35 R 8.07 4.21 0.00 1.85 1.89 0.00 3.14 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 36 K 8.27 4.34 0.00 1.88 1.93 0.00 1.59 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.46 7.81 37 Q 7.90 4.13 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 38 K 7.33 4.49 0.00 1.75 1.93 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.35 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.48 1.42 7.81 39 D 8.25 4.75 0.00 2.82 2.52 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 40 A 8.19 3.72 0.09 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 41 D 7.91 4.41 0.00 2.67 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 42 D 7.95 4.61 0.00 2.58 2.44 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 0.00 43 Y 7.51 4.79 0.00 3.11 3.16 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 44 P 0.00 4.58 0.00 2.01 2.15 0.00 3.98 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 45 V 8.06 5.34 2.32 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 1.17 0.00 0.00 0.98 0.00 0.00 46 Q 8.74 4.81 0.00 2.32 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.63 0.00 0.00 0.00 0.00 0.00 2.25 2.04 0.00 47 I 8.43 5.01 1.83 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 1.24 0.77 1.08 0.00 0.00 48 S 9.38 5.29 0.00 3.71 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 49 L 8.39 4.63 0.00 0.47 1.18 0.99 1.26 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 50 I 8.92 4.89 1.85 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 1.10 0.59 0.98 0.00 0.00 51 V 8.45 4.06 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 0.92 0.00 0.00 0.90 0.00 0.00 52 E 8.78 4.34 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 2.24 2.31 0.00 53 E 7.84 4.72 0.00 1.87 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 2.18 2.28 0.00 54 T 8.39 4.41 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 1.27 0.00 0.00 55 V 8.69 4.54 2.15 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 0.57 0.00 0.00 0.97 0.00 0.00 56 Q 8.98 5.10 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 57 L 8.72 4.76 0.00 1.52 1.55 0.88 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.62 4.40 0.00 1.85 1.81 0.00 2.89 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 59 H 9.21 4.18 0.00 3.32 3.53 0.00 5.27 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 60 G 7.73 3.47 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 0.00 0.00 0.00 61 S 8.26 4.20 0.00 4.05 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.83 3.98 0.00 1.77 1.65 0.80 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.17 3.94 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 64 A 7.89 3.99 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 65 S 8.28 4.02 0.00 4.22 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 66 R 8.67 3.70 0.00 2.23 2.09 0.00 3.27 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.96 0.00 67 L 8.05 3.94 0.00 2.02 1.83 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.23 4.25 0.00 3.98 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.46 4.31 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 N 8.31 4.17 0.00 2.86 2.83 0.00 0.00 6.95 7.38 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 71 R 8.38 3.88 0.00 1.97 1.93 0.00 3.12 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 72 H 7.93 4.14 0.00 3.19 3.35 0.00 5.92 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.59 3.70 0.00 1.57 0.69 0.39 0.09 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 74 I 7.57 4.00 2.03 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 1.52 0.93 0.93 0.00 0.00 75 K 7.87 4.07 0.00 1.71 1.87 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.44 7.81 76 E 7.94 4.29 0.00 1.71 1.46 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 1.96 2.12 0.00 77 L 7.95 4.54 0.00 1.85 1.72 0.79 0.79 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 78 G 8.60 4.10 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 0.00 0.00 0.00 79 E 8.47 4.24 0.00 1.99 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 2.33 2.35 0.00 80 E 7.94 4.64 0.00 1.90 1.87 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 2.20 2.30 0.00 81 G 7.91 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.52 4.68 0.00 2.70 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 83 Y 7.43 4.91 0.00 3.13 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 84 K 8.51 4.77 0.00 1.86 1.94 0.00 1.35 0.00 0.00 1.55 0.00 0.00 2.95 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.84 1.42 7.81 85 M 8.98 5.48 0.00 2.22 2.03 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.70 0.00 86 T 9.40 5.20 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 1.40 0.00 0.00 87 L 8.98 4.66 0.00 1.62 1.46 0.19 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.43 4.39 0.00 1.95 2.09 0.00 3.11 0.00 0.00 3.33 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.66 0.00 89 K 7.64 4.77 0.00 1.58 1.70 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.25 1.29 7.81 90 F 8.53 4.70 0.00 2.72 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.67 0.00 2.20 2.09 0.00 3.81 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 92 H 8.35 4.49 0.00 3.21 3.38 0.00 5.70 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 8.04 4.36 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.01 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 94 V 8.82 4.36 2.15 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 0.88 0.00 0.00 0.82 0.00 0.00 95 L 8.81 4.89 0.00 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7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 115 A 8.60 3.77 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 0.00 116 A 7.78 4.25 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 0.00 117 F 8.52 3.81 0.00 2.96 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 0.00 118 G 7.82 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 0.00 0.00 0.00 119 K 8.29 4.46 0.00 1.91 1.98 0.00 1.34 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.44 7.81 120 I 8.29 4.51 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.68 0.99 0.00 0.00 121 V 8.64 4.31 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 0.76 0.00 0.00 0.89 0.00 0.00 122 G 7.23 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 0.00 0.00 0.00 123 T 7.50 5.23 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 1.14 0.00 0.00 124 A 9.00 5.10 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.77 4.95 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 0.00 126 R 8.61 4.62 0.00 1.74 1.91 0.00 3.19 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 127 V 8.92 4.49 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 1.04 0.00 0.00 0.89 0.00 0.00 128 Q 9.63 4.57 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 129 A 8.25 4.21 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 0.00 130 G 9.79 3.98 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 0.00 0.00 0.00 131 E 7.73 4.35 0.00 2.05 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 2.32 2.39 0.00 132 Q 8.42 4.68 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.98 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 133 L 9.04 4.08 0.00 1.60 1.48 0.64 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 134 F 7.80 5.45 0.00 2.53 2.77 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 0.00 0.00 0.00 135 T 8.96 5.11 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 0.75 0.00 0.00 136 A 9.38 5.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 Y 8.57 5.16 0.00 2.34 2.60 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 0.00 138 C 9.18 5.29 0.00 3.00 3.01 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 0.00 139 N 8.80 5.21 0.00 2.75 2.82 0.00 0.00 6.44 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 0.00 140 V 8.71 3.63 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 0.83 0.00 0.00 1.04 0.00 0.00 141 E 7.98 4.11 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 2.34 2.30 0.00 142 D 7.97 4.97 0.00 2.72 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 0.00 143 A 7.82 3.96 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 0.00 144 E 7.97 3.98 0.00 1.84 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 2.33 2.28 0.00 145 H 7.93 4.32 0.00 3.21 3.17 0.00 5.61 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 V 7.37 3.36 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 0.66 0.00 0.00 0.15 0.00 0.00 147 K 7.63 3.90 0.00 1.85 1.87 0.00 1.91 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.57 7.81 148 E 7.91 3.90 0.00 2.17 2.01 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 2.20 2.07 0.00 149 A 7.53 3.85 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 0.00 150 F 7.87 4.40 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.40 2.67 0.00 1.73 1.85 0.00 3.23 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.64 0.00 152 R 7.53 3.85 0.00 1.85 1.82 0.00 3.01 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 153 A 7.63 3.95 1.20 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 0.00 154 Y 7.76 4.44 0.00 2.96 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 0.00 155 N 7.69 4.90 0.00 2.84 2.91 0.00 0.00 6.74 7.49 0.00 0.00 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 K 7.82 4.67 0.00 1.85 1.78 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.31 7.81 157 I 7.49 4.71 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 1.52 0.72 0.98 0.00 0.00 158 T 8.63 3.88 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 1.22 0.00 0.00 159 P 0.00 4.50 0.00 2.15 2.05 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 160 S 8.16 4.45 0.00 3.78 3.74 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 0.00 161 C 7.89 5.19 0.00 2.63 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 0.00 162 R 9.05 4.53 0.00 1.67 1.80 0.00 3.09 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 163 I 8.44 4.68 2.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.78 1.14 0.00 0.00 164 D 8.89 4.73 0.00 2.76 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 0.00 165 S 8.59 5.01 0.00 3.94 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 0.00 166 S 9.33 4.95 0.00 3.98 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 0.00 167 P 0.00 4.19 0.00 2.16 2.09 0.00 3.78 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.18 0.00 168 A 8.20 5.11 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 0.00 169 G 8.45 4.10 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 0.00 0.00 0.00 170 N 8.00 4.70 0.00 2.73 2.81 0.00 0.00 6.98 7.35 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 0.00 171 A 7.58 4.32 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.