NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1267 8.2644 123.5786 51.7744 20.5469 176.2273 *2 K 3.9793 7.7074 116.8513 57.4038 33.3784 174.5408 3 N 4.3437 8.6488 119.2760 54.0719 36.0330 173.6886 4 R 5.3199 7.7820 114.9688 54.9253 33.7927 173.9784 5 A 5.0510 8.9263 125.6862 50.0932 23.3600 174.6221 6 L 4.1443 8.2044 122.7319 53.8369 43.5690 175.2164 7 L 4.7483 8.9944 129.6691 53.4350 44.0008 175.0347 8 L 5.0202 8.7127 128.1339 53.1291 44.2145 175.8388 9 I 4.1812 8.5932 126.7000 60.1358 38.6234 176.1866 10 D 4.7248 8.5212 127.5749 55.4267 39.5010 175.4754 11 F 5.0060 7.9132 116.2217 57.1490 37.4172 174.5203 12 Q 4.4736 7.1503 120.9645 53.1458 32.5683 177.1195 13 K 3.7009 8.2365 121.4758 59.7234 32.1435 178.6529 14 G 3.8637 8.2924 104.4451 46.4769 0.0000 174.6285 15 I 3.6459 7.7767 121.5964 63.8015 37.1481 174.6207 16 E 3.8194 8.4036 124.7584 56.7122 26.7909 173.5915 17 S 4.7292 8.9635 116.6574 56.7865 67.8158 175.7856 18 P 3.2460 0.0000 0.0000 61.5595 31.5589 176.0214 19 T 3.1919 8.9532 120.2692 61.8131 67.6707 170.2425 20 Q 4.5166 7.2092 125.1442 54.3114 30.7667 174.6095 21 Q 4.9503 8.3672 123.7364 53.8064 31.2352 174.9305 22 L 4.3796 8.9632 124.7141 54.1203 42.2126 176.3317 23 Y 4.1317 8.5976 125.1208 59.1448 39.0561 176.1562 24 R 3.6074 8.4669 127.0909 56.8790 28.0598 178.4860 25 L 3.9129 7.8764 120.1418 57.7355 42.1443 175.5401 26 P 4.0884 0.0000 0.0000 65.6173 31.2714 178.4127 27 A 3.9206 7.7932 118.9781 54.8283 18.2976 179.4998 28 V 3.6845 7.7354 116.8225 66.4345 31.5414 178.3509 29 L 3.7043 8.0310 118.7485 57.6032 41.4195 179.1168 30 D 4.3129 8.1893 119.0640 57.4437 40.9249 178.9749 31 K 3.9839 8.0027 119.9408 59.3436 32.1129 179.0503 32 V 3.6043 8.0107 118.8175 66.1008 31.4655 177.6996 33 N 4.3503 8.4110 116.4753 56.4426 38.4247 177.4003 34 Q 4.0241 8.0639 119.3306 59.0252 28.7278 179.0590 35 R 4.0657 7.9489 118.6116 59.1845 30.0651 178.8494 36 I 3.6888 8.1449 119.9075 64.5850 37.1710 178.1141 37 A 4.0199 7.9787 121.1545 55.2749 18.3354 179.8290 38 V 3.5840 7.7868 116.1718 66.4055 31.5203 177.8189 39 Y 3.8027 8.6291 116.8254 60.9575 37.6812 178.7506 40 R 3.9489 8.3445 119.0027 59.6036 30.0480 178.7798 41 Q 3.9347 7.8107 116.1980 59.1966 28.7793 178.5042 42 H 4.5353 7.6153 113.2248 54.6543 29.2161 174.6192 43 H 4.0800 7.9563 116.2626 57.0318 26.6985 174.2485 44 A 4.9324 8.0376 119.9041 49.3902 21.1825 176.1668 45 P 4.6130 0.0000 0.0000 62.8541 33.0737 175.2378 46 I 4.6177 8.4760 123.7513 59.5096 40.0676 174.4600 47 I 4.7500 8.3439 127.6791 59.4950 40.1015 174.6213 48 F 4.9517 8.8103 127.7432 56.4404 40.3336 175.3079 49 V 4.7360 8.7263 124.8722 61.8213 33.5384 174.6865 50 Q 4.9337 9.1417 125.8709 54.2865 32.2721 174.2036 51 H 5.1132 9.3140 125.0307 56.0708 30.6678 174.1964 52 E 5.3460 8.5841 122.1376 55.0820 32.8951 174.2130 53 E 4.6638 8.9789 118.1248 55.5335 32.8674 176.1375 54 T 3.8001 8.7259 109.1873 65.0896 68.2189 174.5496 55 E 4.4754 8.0433 118.4522 55.6132 30.2392 177.1836 56 L 4.6369 8.5933 120.5318 53.5822 43.4532 173.1441 57 P 4.6859 0.0000 0.0000 62.0048 32.6297 176.0234 58 F 2.3826 8.4273 121.4933 59.8356 39.1934 175.7290 59 G 3.2332 5.5838 116.2991 44.8699 0.0000 173.6174 60 S 4.2842 7.3218 114.4685 58.1566 63.2539 175.2269 61 D 4.3937 8.6631 121.5353 57.4839 40.5830 179.0040 62 S 4.2932 8.0568 113.9058 60.4859 63.1201 176.0083 63 W 4.3420 7.7296 131.2512 59.1125 30.9109 176.4055 64 Q 3.8125 7.3083 117.0244 55.5128 28.8042 176.2576 65 L 4.2278 7.6960 120.5911 54.2886 42.5215 177.2966 66 F 4.3330 8.3177 120.5017 57.9533 39.4340 176.6644 67 E 3.9663 9.0579 124.8029 59.3580 29.5150 178.3660 68 K 3.9614 8.1466 118.5232 59.0399 32.3867 177.0305 69 L 4.1403 7.6170 118.7140 54.7924 42.1940 177.7770 70 D 4.6798 8.4344 124.3656 53.3866 39.2990 175.7729 71 T 4.5693 7.4355 110.9710 60.3615 71.2527 175.1978 72 Q 4.7108 8.6900 120.5392 53.4346 32.7572 174.8374 73 P 4.3926 0.0000 0.0000 65.8076 31.4517 177.5445 74 T 4.2275 7.8064 105.5529 61.8794 69.0181 174.0917 75 D 4.5258 7.7959 122.7956 54.1289 42.4333 175.2499 76 F 4.7960 8.5108 117.8751 56.3592 41.1029 175.5710 77 F 5.4635 8.9446 120.3651 55.9040 42.0440 174.2384 78 I 4.6752 9.2375 124.8763 59.5918 39.9220 174.8049 79 R 5.3459 8.7450 125.5587 54.8983 31.8355 175.6794 80 K 4.9217 9.0315 121.4300 55.7817 36.4773 176.6765 81 T 4.6170 8.8021 108.5191 61.4795 69.8852 172.9227 82 H 4.9352 8.0081 120.3311 53.7864 33.3250 172.6740 83 A 3.9994 8.2087 125.2978 55.0508 18.5860 177.2285 84 N 4.7452 8.4112 114.8987 52.9752 39.0110 175.4160 85 A 4.1643 8.4675 129.1160 54.1317 18.5935 177.7290 86 F 4.4007 9.0620 113.5222 57.7723 39.5895 175.4414 87 Y 4.3170 8.0045 122.4098 57.3568 37.8249 174.5253 88 Q 3.4048 8.4736 127.7761 57.3142 26.1118 173.2617 89 T 4.6949 7.8178 106.2425 59.7787 72.0930 173.2372 90 N 4.8481 8.3629 115.9547 52.9040 37.6667 176.4820 91 L 3.7602 7.5823 124.2665 59.0022 42.1026 178.5704 92 N 4.5842 8.2321 116.3919 56.7121 38.9559 176.4076 93 D 4.3510 8.0852 119.9818 57.2488 41.0481 178.2358 94 L 3.8839 8.4444 121.1184 58.2152 41.9843 179.0894 95 L 3.9800 8.3184 119.3162 57.8232 41.5287 179.4964 96 T 3.8612 8.1457 115.8617 66.8043 68.2626 176.0618 97 E 3.9556 8.0605 119.6536 59.2725 29.7112 178.0667 98 Q 4.2065 7.9749 114.6098 54.8857 29.2407 175.3897 99 A 3.6912 7.7875 121.9355 52.9944 16.6809 177.6516 100 V 4.0539 8.0258 120.1423 63.8813 32.3513 175.0930 101 Q 4.6649 9.2115 128.2880 56.4589 31.8291 174.9215 102 T 5.2178 7.9832 115.3079 61.5432 71.8931 173.1646 103 L 5.1655 9.1291 125.7480 52.8785 45.2728 174.8846 104 E 4.9820 9.1318 125.5259 54.7477 31.3293 174.3978 105 I 4.8994 8.2685 127.7089 59.5510 39.5541 174.8705 106 A 4.6840 9.4551 126.9735 49.9318 23.5254 176.3674 107 G 2.5463 6.8780 103.9562 45.4296 0.0000 172.1621 108 V 4.8289 7.0472 112.0156 59.7897 35.9656 174.8867 109 Q 4.6845 8.6154 120.9252 55.4734 30.1673 177.2424 110 T 4.0385 8.6170 120.0210 66.9347 68.5123 175.7762 111 E 3.9174 7.7945 116.5423 57.1786 32.2397 177.4085 112 F 4.6375 8.2337 117.6041 58.2920 38.4486 177.4451 113 C 4.8649 9.4237 131.2554 62.6731 31.8594 173.2029 114 V 3.3810 7.7403 119.5476 65.7848 31.2096 176.8963 115 D 4.2782 8.1970 117.7148 57.9768 40.8318 178.8430 116 T 3.8025 7.6297 114.1658 67.1016 68.5773 176.5541 117 T 4.1286 7.8070 116.3013 66.4376 68.5825 176.5874 118 I 3.6706 7.7718 122.1813 64.2707 37.0590 180.0817 119 R 3.5276 7.5505 116.8521 56.1735 29.7228 178.6875 *121 A 4.0729 7.9666 123.3211 52.5785 20.8304 179.3401 122 H 4.2722 8.6470 115.8327 59.4074 30.0337 177.7733 123 G 3.6894 8.0913 106.8147 48.4083 0.0000 174.4857 124 L 3.9557 7.6705 117.7961 55.2385 41.8555 177.4481 125 G 3.9261 7.6002 105.7660 45.0251 0.0000 173.8135 126 Y 4.4671 7.6005 117.4844 58.1199 39.0790 175.3481 127 T 4.4692 8.9239 119.8113 63.0137 70.1738 173.6432 128 C 5.3282 8.7514 123.6763 58.3165 31.7598 173.2698 129 L 5.3919 8.1272 120.4963 52.7879 46.0874 175.0302 *131 T 4.5034 8.3853 114.7045 63.2046 69.5047 172.3826 132 P 4.5757 0.0000 0.0000 64.1356 32.0755 175.8536 133 K 3.9893 8.8664 118.0151 58.6901 29.3477 176.0971 134 T 4.9607 8.1227 104.6929 61.4103 70.6086 173.5521 135 T 5.7818 8.1972 110.5446 59.8590 71.9617 172.5969 136 S 4.8342 8.4551 115.9459 58.1788 66.9892 172.1841 137 T 4.9804 8.1503 114.7376 61.7473 70.0962 171.7738 138 L 5.1470 8.4134 119.4773 52.6362 44.5634 176.0885 139 D 4.5449 8.6372 121.0570 55.0828 41.1526 176.2996 140 N 4.8703 8.9230 119.7559 52.4851 37.5873 175.2081 141 G 4.0441 8.6842 108.6461 45.7355 0.0000 174.3302 142 H 4.7581 8.0014 113.6803 56.2158 31.5528 173.8517 143 L 4.9836 7.4640 117.1293 52.1603 45.5654 176.0837 144 T 4.4272 8.8645 112.3086 61.1211 70.9789 175.5768 145 A 3.8547 8.8589 124.5263 55.5313 18.2379 180.2338 146 A 3.6235 7.2015 118.3543 55.3162 18.4892 179.7107 147 Q 3.8668 7.9667 116.5056 58.9753 28.6882 179.3029 148 I 3.7018 7.4869 120.7249 64.2593 37.2618 178.1824 149 I 3.5791 7.9805 121.0746 64.4996 37.0987 177.9010 150 Q 3.8511 8.0609 120.1008 59.6364 28.8462 177.6768 151 H 3.9388 8.1413 118.8373 60.0740 29.8309 176.8251 152 H 3.6217 7.9814 117.4505 58.5160 28.5621 177.7523 153 E 3.6580 7.6294 120.1086 59.1808 29.0119 179.3106 154 A 4.0027 7.4864 119.8015 55.0270 18.4546 179.4476 155 I 3.8173 7.1023 117.2138 64.3766 37.3918 178.4093 156 W 5.0278 8.1935 119.6672 58.5535 28.7439 176.5823 157 A 4.4781 7.7427 122.2463 54.0356 18.2747 175.6954 158 G 4.3820 9.4143 116.1446 46.0896 0.0000 174.9358 159 R 3.7526 7.7701 118.3650 58.3182 30.1999 176.9503 160 F 4.6579 8.0509 114.0779 57.6849 40.9676 174.8860 161 L 4.7352 7.5259 118.8943 55.2676 43.9260 173.9285 162 T 4.9524 8.4010 115.7101 61.6498 71.1740 174.1284 163 F 4.4610 9.0261 125.0721 57.1909 39.8918 175.3288 164 L 4.3067 8.7024 122.8889 54.3412 42.4818 176.6541 165 S 4.6836 8.5696 118.8615 57.2342 63.4550 174.3855 166 L 4.3825 8.4145 124.6371 54.8248 42.0315 176.5984 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 0 A 8.26 4.13 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 K 7.71 3.98 0.00 1.76 1.76 0.00 1.94 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.48 7.81 3 N 8.65 4.34 0.00 3.04 2.99 0.00 0.00 6.42 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 4 R 7.78 5.32 0.00 1.92 1.76 0.00 3.23 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.86 0.00 5 A 8.93 5.05 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.20 4.14 0.00 0.27 0.71 0.59 0.02 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 7 L 8.99 4.75 0.00 1.52 1.32 0.68 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.71 5.02 0.00 1.42 1.88 0.63 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.59 4.18 1.74 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.52 0.85 0.00 0.00 10 D 8.52 4.72 0.00 2.94 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 11 F 7.91 5.01 0.00 3.23 3.15 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 0.00 12 Q 7.15 4.47 0.00 1.81 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.86 0.00 0.00 0.00 0.00 0.00 1.95 2.05 0.00 13 K 8.24 3.70 0.00 1.77 1.88 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.52 1.33 7.81 14 G 8.29 3.86 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 0.00 0.00 0.00 15 I 7.78 3.65 2.10 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.46 1.01 0.00 0.00 16 E 8.40 3.82 0.00 2.54 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 0.00 2.37 2.57 0.00 17 S 8.96 4.73 0.00 3.99 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 18 P 0.00 3.25 0.00 2.11 1.86 0.00 3.77 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 2.03 2.14 0.00 19 T 8.95 3.19 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 1.21 0.00 0.00 20 Q 7.21 4.52 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.29 6.53 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 21 Q 8.37 4.95 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.94 0.00 0.00 0.00 0.00 0.00 2.27 2.61 0.00 22 L 8.96 4.38 0.00 1.83 1.68 1.19 0.80 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 23 Y 8.60 4.13 0.00 2.85 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 24 R 8.47 3.61 0.00 1.55 1.69 0.00 2.52 0.00 0.00 2.97 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.50 0.00 25 L 7.88 3.91 0.00 1.80 1.51 0.88 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.09 0.00 2.11 2.01 0.00 3.49 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 2.04 2.06 0.00 27 A 7.79 3.92 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 28 V 7.74 3.68 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 1.30 0.00 0.00 1.02 0.00 0.00 29 L 8.03 3.70 0.00 1.69 1.52 0.54 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.19 4.31 0.00 2.78 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.00 3.98 0.00 1.99 1.96 0.00 1.55 0.00 0.00 1.60 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.53 7.81 32 V 8.01 3.60 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 0.98 0.00 0.00 1.01 0.00 0.00 33 N 8.41 4.35 0.00 3.00 2.86 0.00 0.00 7.06 8.12 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 34 Q 8.06 4.02 0.00 2.38 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 35 R 7.95 4.07 0.00 2.01 2.07 0.00 3.39 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.87 0.00 36 I 8.14 3.69 2.08 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 1.41 0.64 1.04 0.00 0.00 37 A 7.98 4.02 1.41 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 0.00 0.00 0.00 38 V 7.79 3.58 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 0.94 0.00 0.00 1.00 0.00 0.00 39 Y 8.63 3.80 0.00 3.19 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 40 R 8.34 3.95 0.00 2.05 2.01 0.00 3.20 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.97 0.00 41 Q 7.81 3.93 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.14 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 42 H 7.62 4.54 0.00 2.97 3.24 0.00 6.00 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 H 7.96 4.08 0.00 3.33 3.38 0.00 5.62 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 44 A 8.04 4.93 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 45 P 0.00 4.61 0.00 2.08 2.19 0.00 3.94 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 2.09 2.18 0.00 46 I 8.48 4.62 1.74 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.90 0.23 0.00 0.00 47 I 8.34 4.75 1.65 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.59 0.80 0.00 0.00 48 F 8.81 4.95 0.00 2.99 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 49 V 8.73 4.74 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 0.93 0.00 0.00 0.81 0.00 0.00 50 Q 9.14 4.93 0.00 2.06 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 1.72 2.12 0.00 51 H 9.31 5.11 0.00 3.52 3.23 0.00 5.69 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.58 5.35 0.00 2.12 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 0.00 2.46 2.24 0.00 53 E 8.98 4.66 0.00 2.16 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 0.00 2.25 2.44 0.00 54 T 8.73 3.80 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 1.21 0.00 0.00 55 E 8.04 4.48 0.00 1.98 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 2.28 2.35 0.00 56 L 8.59 4.64 0.00 1.67 1.70 1.03 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.69 0.00 2.20 2.14 0.00 3.81 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 2.04 1.93 0.00 58 F 8.43 2.38 0.00 2.69 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 59 G 5.58 3.23 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 0.00 60 S 7.32 4.28 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 61 D 8.66 4.39 0.00 2.72 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 62 S 8.06 4.29 0.00 4.07 4.14 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 63 W 7.73 4.34 0.00 3.28 3.34 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 64 Q 7.31 3.81 0.00 2.14 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.72 0.00 0.00 0.00 0.00 0.00 2.72 2.49 0.00 65 L 7.70 4.23 0.00 1.41 1.45 0.53 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 66 F 8.32 4.33 0.00 3.07 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 67 E 9.06 3.97 0.00 1.99 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 2.34 2.26 0.00 68 K 8.15 3.96 0.00 1.67 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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 77 F 8.94 5.46 0.00 3.06 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 9.24 4.68 1.88 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 1.26 1.06 0.89 0.00 0.00 79 R 8.75 5.35 0.00 1.72 2.05 0.00 2.75 0.00 0.00 3.07 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.81 0.00 80 K 9.03 4.92 0.00 1.86 1.88 0.00 1.43 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.54 1.49 7.81 81 T 8.80 4.62 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 1.22 0.00 0.00 82 H 8.01 4.94 0.00 3.23 3.46 0.00 5.95 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 83 A 8.21 4.00 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 84 N 8.41 4.75 0.00 2.76 2.78 0.00 0.00 7.12 8.75 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 85 A 8.47 4.16 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 F 9.06 4.40 0.00 3.11 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 87 Y 8.00 4.32 0.00 2.95 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 88 Q 8.47 3.40 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.54 0.00 0.00 0.00 0.00 0.00 1.83 1.24 0.00 89 T 7.82 4.69 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 1.37 0.00 0.00 90 N 8.36 4.85 0.00 2.97 3.06 0.00 0.00 5.57 6.67 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 91 L 7.58 3.76 0.00 1.56 1.45 0.63 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.23 4.58 0.00 3.10 2.93 0.00 0.00 7.13 8.49 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 93 D 8.09 4.35 0.00 2.90 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 94 L 8.44 3.88 0.00 1.68 1.78 0.45 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.32 3.98 0.00 1.98 1.84 0.62 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.15 3.86 4.42 0.00 0.00 0.00 0.00 0.00 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 97 E 8.06 3.96 0.00 1.96 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 2.33 2.38 0.00 98 Q 7.97 4.21 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.09 1.93 0.00 99 A 7.79 3.69 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 0.00 100 V 8.03 4.05 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 0.87 0.00 0.00 0.96 0.00 0.00 101 Q 9.21 4.66 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.54 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 102 T 7.98 5.22 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 1.31 0.00 0.00 103 L 9.13 5.17 0.00 1.43 1.39 0.50 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 104 E 9.13 4.98 0.00 2.11 1.80 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 2.19 2.27 0.00 105 I 8.27 4.90 1.65 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 0.99 0.63 0.68 0.00 0.00 106 A 9.46 4.68 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 G 6.88 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.05 4.83 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 0.86 0.00 0.00 1.00 0.00 0.00 109 Q 8.62 4.68 0.00 2.40 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.67 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 110 T 8.62 4.04 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 1.17 0.00 0.00 111 E 7.79 3.92 0.00 1.65 1.62 0.00 0.00 0.00 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 0.00 112 F 8.23 4.64 0.00 3.09 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 C 9.42 4.86 0.00 2.98 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 0.00 114 V 7.74 3.38 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 0.81 0.00 0.00 0.94 0.00 0.00 115 D 8.20 4.28 0.00 3.37 2.92 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 0.00 116 T 7.63 3.80 4.43 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 1.26 0.00 0.00 117 T 7.81 4.13 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 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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 0.00 0.00 0.00 0.00 1.24 0.00 0.00 128 C 8.75 5.33 0.00 3.08 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 0.00 129 L 8.13 5.39 0.00 1.55 1.54 0.96 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 *131 T 8.39 4.50 4.32 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 1.30 0.00 0.00 132 P 0.00 4.58 0.00 2.11 2.01 0.00 3.95 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.34 0.00 133 K 8.87 3.99 0.00 1.97 1.95 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.45 7.81 134 T 8.12 4.96 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 1.35 0.00 0.00 135 T 8.20 5.78 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 136 S 8.46 4.83 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 0.00 137 T 8.15 4.98 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 1.21 0.00 0.00 138 L 8.41 5.15 0.00 1.71 1.59 1.00 1.07 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 0.00 139 D 8.64 4.54 0.00 2.67 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 0.00 140 N 8.92 4.87 0.00 2.90 2.92 0.00 0.00 7.19 7.10 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 0.00 141 G 8.68 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 0.00 0.00 0.00 0.00 142 H 8.00 4.76 0.00 3.10 3.28 0.00 5.65 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.46 4.98 0.00 1.66 1.44 0.92 0.61 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 0.00 144 T 8.86 4.43 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 1.15 0.00 0.00 145 A 8.86 3.85 1.15 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 0.00 0.00 0.00 146 A 7.20 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 7.97 3.87 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 148 I 7.49 3.70 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.72 0.83 0.00 0.00 149 I 7.98 3.58 1.91 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.96 0.96 0.00 0.00 150 Q 8.06 3.85 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 151 H 8.14 3.94 0.00 3.29 3.38 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 H 7.98 3.62 0.00 2.71 2.10 0.00 5.87 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 0.00 153 E 7.63 3.66 0.00 1.98 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 0.00 2.36 2.21 0.00 154 A 7.49 4.00 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 0.00 155 I 7.10 3.82 1.89 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.51 1.20 0.00 0.00 156 W 8.19 5.03 0.00 3.74 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 0.00 157 A 7.74 4.48 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 G 9.41 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 R 7.77 3.75 0.00 1.56 1.75 0.00 3.12 0.00 0.00 2.86 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.10 0.00 160 F 8.05 4.66 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 0.00 161 L 7.53 4.74 0.00 1.76 1.75 0.68 0.16 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 0.00 162 T 8.40 4.95 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 0.00 163 F 9.03 4.46 0.00 3.00 3.04 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 0.00 164 L 8.70 4.31 0.00 1.73 1.65 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 165 S 8.57 4.68 0.00 3.88 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 0.00 166 L 8.41 4.38 0.00 1.62 1.55 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.