NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 G 4.5577 8.1132 107.8363 46.3084 0.0000 172.5104 11 Q 5.0687 8.7036 122.8118 53.5139 32.3325 173.1264 12 I 4.4859 9.1083 124.2038 59.4593 40.5902 174.0378 13 R 4.8597 8.4632 126.9291 54.5673 31.9795 175.2344 14 I 4.2831 8.3888 128.1094 60.9534 37.6661 176.6941 15 I 3.9834 8.8940 121.1441 61.3102 38.2631 175.3701 16 G 4.0419 7.6368 109.0371 44.8820 0.0000 173.7649 17 G 3.6369 8.4349 105.8765 45.1770 0.0000 174.9267 18 Q 3.8352 7.5966 117.3525 58.1138 28.8663 177.2475 19 W 4.8839 7.6655 118.5580 55.9430 29.5843 175.4464 20 R 4.1612 7.5177 119.2156 58.0582 29.6351 177.0140 21 G 3.9937 9.4841 114.2886 45.2565 0.0000 173.6417 22 R 4.2042 8.2609 120.4125 55.9914 31.2764 175.6122 23 K 5.0460 8.5562 122.4169 54.7302 34.5004 175.6872 24 L 4.9067 8.6975 123.6647 52.1059 46.0152 173.9776 25 P 4.9407 0.0000 0.0000 62.7397 32.6344 175.9563 26 V 4.4316 8.7416 117.1685 58.6244 34.8097 174.0277 27 P 4.6566 0.0000 0.0000 62.1322 31.9160 177.4987 28 D 4.7513 8.2687 118.2248 52.7663 36.5004 174.2968 29 S 4.4696 7.8303 120.6371 59.9972 69.1236 176.0741 *36 T 4.1431 7.4828 110.2688 61.1326 69.9399 174.5277 37 D 4.2734 8.4279 120.8094 57.6043 40.7606 179.2709 38 R 3.8827 7.8114 118.1179 59.0058 30.0191 178.8033 39 V 3.1096 7.2227 116.8831 66.1922 31.3908 178.2755 40 R 3.8703 7.6797 117.2490 59.0615 29.9339 178.6268 41 E 3.8705 8.5639 119.3787 59.6374 29.6527 179.0150 42 T 3.4164 7.6718 115.6049 66.3231 68.4457 176.3307 43 L 3.3037 7.3371 122.0786 58.0741 41.8431 178.9862 44 F 4.2053 7.9883 115.9972 59.7862 39.0263 177.4108 45 N 4.5377 8.1886 116.7883 56.1557 38.1252 177.2985 46 W 4.4705 7.8527 119.1435 59.4597 29.4229 177.6834 47 L 4.4396 8.0248 116.6465 54.7792 41.1988 178.3389 48 A 4.0744 7.6499 123.1015 54.8529 18.3087 176.9836 49 P 4.6245 0.0000 0.0000 63.6608 31.6185 176.7756 50 V 4.4267 7.8800 110.4993 61.0189 33.7375 176.5785 51 I 3.9045 7.8404 120.5950 63.5019 38.2271 176.0191 52 V 4.0507 7.7337 120.2410 64.0953 31.5722 175.0178 53 D 4.5544 9.3389 125.8130 54.8745 39.1437 173.8403 54 A 4.2823 7.8743 121.8225 52.0871 20.0232 177.2421 55 Q 4.8876 8.6496 119.7678 55.0785 30.5764 174.5201 56 C 5.3915 9.3010 122.2326 57.7705 31.7764 172.7296 57 L 5.0220 8.7911 124.5451 53.2621 44.4784 174.3944 58 D 5.2782 9.0296 126.7510 52.8978 42.1610 176.4740 59 C 3.8032 8.8615 125.2732 62.0322 28.6937 174.9790 60 F 4.7851 7.7830 115.0991 55.7734 39.9947 173.9150 61 A 4.5218 8.9113 127.8300 52.4383 20.2210 181.1602 62 G 3.9537 8.8171 103.3705 46.6469 0.0000 176.8833 63 S 4.0856 9.0320 120.3152 59.1432 63.2024 175.2145 64 G 3.8367 8.7218 109.8071 45.6875 0.0000 174.8126 65 A 3.8959 7.6621 122.1055 55.3559 18.2142 180.2465 66 L 3.8077 7.7317 116.5069 57.8846 41.7925 179.7403 67 G 3.7427 7.9911 105.0915 47.8805 0.0000 175.5139 68 L 4.0749 8.4491 121.7437 57.5060 41.7370 179.1430 69 E 3.6647 8.0430 119.0661 58.9297 29.4783 178.6904 70 A 4.0923 7.9961 120.7576 55.3462 18.6737 179.6290 71 L 3.9634 8.1670 117.5299 57.9207 41.5927 179.6388 72 S 2.9165 8.1725 113.0962 60.6843 61.9640 175.3677 73 R 4.3466 7.1193 117.9291 56.0266 30.6735 175.9454 74 Y 3.4711 7.0401 114.2022 58.5395 35.6476 169.0041 75 A 4.5050 7.6918 120.1576 52.9125 18.3947 178.8755 76 A 4.1592 8.8186 123.7971 55.0505 19.0699 178.0109 77 G 4.7851 7.8791 99.2362 45.1223 0.0000 172.4954 78 A 5.3363 8.3760 121.6353 50.7110 22.7770 175.0303 79 T 4.8428 9.1047 120.2303 61.9880 70.8325 173.7740 80 L 4.8536 8.7692 126.8052 53.0360 44.5510 175.3924 81 I 4.4783 8.6217 125.8490 59.6561 39.5461 174.9177 82 E 4.4297 8.6466 126.7703 55.1746 34.0182 172.6478 *84 D 4.4931 8.5362 118.2495 53.8877 42.1232 175.9506 85 R 3.8541 8.7495 126.5159 59.5550 30.2349 178.0598 86 A 3.9867 8.0524 120.0245 55.2079 18.4164 179.6816 87 V 3.5352 8.1443 116.6634 66.1932 31.6706 178.3262 88 S 4.1148 8.5291 115.3132 61.8212 62.6599 176.7585 89 Q 3.9746 8.1812 120.5755 59.0598 28.4002 178.7876 90 Q 3.9251 7.9672 120.1024 58.7545 29.0070 177.6048 91 L 3.8756 7.9594 121.5152 58.3962 42.1197 179.0240 92 I 3.6468 7.6066 119.3230 64.3879 37.0569 178.4871 93 K 3.8970 7.9615 119.1389 59.7050 32.0207 179.2025 94 N 4.2666 8.5030 117.0258 56.1624 38.3053 177.5083 95 L 3.8369 8.1299 120.4527 57.5243 41.6306 179.4605 96 A 3.9156 7.7970 120.7267 55.3077 18.1033 179.5259 97 T 3.7125 7.5771 113.1737 66.9449 68.7155 176.1928 98 L 3.6616 7.2621 116.8246 54.2087 41.8190 176.9836 99 K 3.6688 7.5288 117.1249 57.3210 29.8827 176.2384 100 A 4.5859 8.0900 123.8643 50.9642 17.8958 178.2186 101 G 3.8346 8.5259 111.1369 48.3014 0.0000 171.7477 102 N 4.9599 8.0059 118.3095 52.3252 37.3355 174.4181 103 A 5.6846 7.9806 117.9117 53.0567 22.6640 176.6884 104 R 4.7371 8.4230 114.4696 54.7031 33.5225 173.8414 105 V 4.7401 8.3194 119.3767 61.0973 34.3140 174.5512 106 V 4.2017 8.4995 127.7115 61.1820 33.8892 174.1557 107 N 5.5178 8.7466 127.2889 52.0616 37.8493 173.3620 108 S 4.8151 7.8855 117.3692 56.2475 66.0390 173.1982 109 N 4.5647 8.7954 121.8669 52.5789 37.9929 176.1476 110 A 3.9928 8.1985 121.1457 52.6301 18.2802 180.1313 *112 S 4.3936 8.2654 117.3625 60.2571 64.9866 176.4154 113 F 4.1548 8.1337 120.7801 61.2204 39.0602 176.1899 114 L 3.7447 7.9559 117.9478 56.1453 42.2222 177.4366 115 A 4.4685 7.2314 123.5755 49.6963 17.0908 175.3477 116 Q 4.4597 7.3106 118.7710 53.9349 31.6798 174.5487 117 K 3.6356 8.5380 120.2441 57.0994 32.4667 176.5269 118 G 2.0000 8.0463 116.4859 44.3598 0.0000 171.8739 119 T 4.6913 6.8614 112.9336 59.0832 70.6726 171.8008 120 P 4.6127 0.0000 0.0000 63.2634 32.2516 175.1734 121 H 4.9890 9.0372 119.5600 54.1392 31.9403 174.6942 122 N 4.4303 8.9279 119.2307 55.7631 39.8944 175.4041 123 I 4.8714 7.6218 118.8182 59.3900 41.4549 174.6624 124 V 4.6179 8.6255 126.6232 60.9696 34.9865 173.9086 125 F 5.3614 8.9781 126.3905 56.1845 41.4110 175.0094 126 V 4.9582 9.4656 124.4769 60.7201 32.2249 172.3176 127 D 5.0104 8.5679 124.8094 50.9028 40.7400 172.8541 128 P 3.1158 0.0000 0.0000 60.4828 32.3763 175.9219 129 P 4.3001 0.0000 0.0000 65.1793 31.4203 176.2656 130 F 4.8947 6.5237 111.1018 55.0474 41.0507 174.1649 131 R 3.9101 8.5141 121.3661 58.8277 30.4169 176.1014 132 R 4.2841 7.8402 118.6441 57.7006 30.2810 175.9285 133 G 4.2865 9.2199 114.0543 45.3847 0.0000 173.6190 134 L 4.5316 7.8590 117.2782 56.0037 44.2355 178.1912 135 L 3.8904 8.3202 120.1251 58.4377 41.9934 178.9618 136 E 3.9090 8.0195 117.8632 59.2147 29.4740 179.1334 137 E 3.9533 8.0901 118.3089 59.6428 29.5046 179.3796 138 T 3.8797 8.1434 115.7514 66.7557 68.7134 176.6059 139 I 3.7106 7.6494 121.7106 64.8074 37.1115 178.2521 140 N 4.2874 8.1018 116.9789 56.0367 38.3425 177.6117 141 L 4.0884 8.0273 120.5335 57.6360 41.5494 179.2977 142 L 4.2554 8.3145 119.3190 58.1968 41.4732 179.3691 143 E 4.1907 8.1445 117.2261 59.2771 29.6837 177.9619 144 D 4.6835 8.2154 117.4864 55.4102 41.4133 176.9704 145 N 4.7504 8.2673 115.9454 52.7758 38.9228 175.5782 146 G 3.8677 8.3166 104.9334 46.1624 0.0000 174.9413 147 W 4.8903 7.8805 119.1293 56.8995 30.0885 175.8090 148 L 5.2750 7.8063 119.6829 52.5158 43.7223 176.4296 149 A 4.1849 9.0356 125.3982 52.1991 19.6040 178.3627 150 D 4.3614 8.4333 119.5658 55.5408 41.8044 178.8590 151 E 5.8999 7.8363 114.5557 54.6628 29.1879 176.2546 152 A 4.3193 7.9807 120.9372 52.1170 20.4485 177.6781 153 L 4.9542 8.6308 119.8553 52.9626 44.4461 175.7342 154 I 4.7893 8.5135 124.6602 59.6016 40.1254 173.9279 155 Y 5.1088 9.4096 129.7316 56.8327 40.3897 174.2618 156 V 4.7711 8.8375 126.3569 61.0587 34.8185 173.3989 157 E 4.8422 8.1997 128.5215 54.5446 31.4938 174.9005 158 S 4.5837 8.3427 119.3153 56.9635 66.6908 173.6621 159 E 4.3103 8.7086 125.8218 56.2782 30.2441 177.7590 160 V 3.5099 8.7642 124.6474 66.1903 31.5675 177.6811 161 E 4.1775 8.2888 118.1654 59.1740 29.3217 177.4909 162 N 4.3532 8.1509 115.0503 53.8093 38.9364 176.1115 163 G 3.8521 8.1587 107.0237 44.1503 0.0000 172.5978 164 L 4.2286 8.2215 118.8016 53.6352 42.1573 175.6452 165 P 4.3980 0.0000 0.0000 62.3937 32.0732 176.2824 166 T 3.8565 8.5169 117.3810 64.0014 68.6684 174.2590 167 V 3.9275 7.7367 118.8512 58.1710 35.2942 173.7915 168 P 4.2163 0.0000 0.0000 62.2158 31.7736 177.6514 169 A 4.0506 8.4414 123.1417 55.1851 18.5240 178.3855 170 N 4.7946 8.2880 111.3739 53.0637 37.8410 173.8236 171 W 5.4144 8.2029 119.9923 55.5328 30.7036 175.7830 172 S 5.0080 9.0850 119.2287 55.9184 65.8300 173.1748 173 L 3.5920 8.7933 124.5996 56.2822 41.6974 175.2029 174 H 4.6435 9.2088 126.4535 57.3829 31.2870 174.8642 175 R 4.2772 7.1125 114.9659 54.2632 34.4201 173.8160 176 E 5.1820 8.0368 120.9231 54.9152 33.0695 174.0995 177 K 4.8356 9.9860 127.6460 54.7853 35.9392 174.6155 178 V 4.9996 8.7428 126.7261 61.1946 33.3681 174.7546 179 A 4.6599 8.8743 130.5097 51.5056 22.5962 175.0998 180 G 3.9354 8.5453 112.9912 47.3383 0.0000 174.3911 181 Q 4.3534 8.6630 123.2137 55.8393 29.1711 174.7322 182 V 4.6343 7.6539 119.1029 61.1511 34.8513 173.8141 183 A 5.0327 9.0481 129.6715 50.5792 21.2225 175.0065 184 Y 4.9304 9.4015 121.4170 56.5820 40.1109 175.3834 185 R 5.1752 9.2220 123.0878 54.2133 35.0474 174.2076 186 L 5.2559 8.5869 123.3152 53.7293 45.0485 174.7410 187 Y 4.9950 9.0931 124.2561 56.4651 40.6701 174.3057 188 Q 4.8113 9.0250 124.4184 54.2920 31.8357 173.9310 189 R 4.7558 8.5754 126.9998 54.6801 32.2956 174.2974 190 E 4.8910 8.8684 126.2564 54.4473 31.0331 175.1474 191 A 4.1879 8.5698 127.6145 52.8030 18.5169 177.4451 192 Q 4.1862 8.2787 117.6803 57.7027 28.0616 174.5004 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 10 G 8.11 4.56 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 0.00 11 Q 8.70 5.07 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.63 0.00 0.00 0.00 0.00 0.00 2.22 2.38 0.00 12 I 9.11 4.49 1.83 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 1.08 0.95 0.86 0.00 0.00 13 R 8.46 4.86 0.00 1.77 1.77 0.00 3.21 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 14 I 8.39 4.28 2.06 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.68 1.01 0.00 0.00 15 I 8.89 3.98 1.82 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 1.23 0.69 0.87 0.00 0.00 16 G 7.64 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 17 G 8.43 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.60 3.84 0.00 1.73 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 7.34 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 19 W 7.67 4.88 0.00 3.43 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 20 R 7.52 4.16 0.00 1.77 1.90 0.00 3.27 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 21 G 9.48 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.26 4.20 0.00 1.85 1.82 0.00 3.27 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.90 0.00 23 K 8.56 5.05 0.00 1.58 1.68 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.42 7.81 24 L 8.70 4.91 0.00 1.46 1.41 0.75 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.94 0.00 2.04 2.02 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 26 V 8.74 4.43 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 0.69 0.00 0.00 0.87 0.00 0.00 27 P 0.00 4.66 0.00 2.16 2.08 0.00 3.75 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 1.98 1.94 0.00 28 D 8.27 4.75 0.00 2.78 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 29 S 7.83 4.47 0.00 3.95 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 *36 T 7.48 4.14 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 1.22 0.00 0.00 37 D 8.43 4.27 0.00 2.75 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 38 R 7.81 3.88 0.00 1.77 1.86 0.00 3.10 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 39 V 7.22 3.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.62 0.00 0.00 40 R 7.68 3.87 0.00 1.93 2.00 0.00 3.26 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.62 0.00 41 E 8.56 3.87 0.00 2.07 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 0.00 2.23 2.31 0.00 42 T 7.67 3.42 3.77 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 0.26 0.00 0.00 43 L 7.34 3.30 0.00 1.13 1.28 0.80 0.02 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 44 F 7.99 4.21 0.00 3.15 3.10 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 45 N 8.19 4.54 0.00 2.77 2.87 0.00 0.00 6.84 7.14 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 46 W 7.85 4.47 0.00 3.51 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 47 L 8.02 4.44 0.00 1.72 1.77 0.67 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.65 4.07 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.62 0.00 2.22 2.20 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 50 V 7.88 4.43 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 0.71 0.00 0.00 1.04 0.00 0.00 51 I 7.84 3.90 2.18 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.36 1.13 0.00 0.00 52 V 7.73 4.05 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 0.84 0.00 0.00 0.98 0.00 0.00 53 D 9.34 4.55 0.00 2.86 2.80 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 54 A 7.87 4.28 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 55 Q 8.65 4.89 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 56 C 9.30 5.39 0.00 3.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.79 5.02 0.00 1.24 1.29 0.83 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 58 D 9.03 5.28 0.00 2.97 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.86 3.80 0.00 2.73 2.18 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 0.00 60 F 7.78 4.79 0.00 3.18 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.91 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 62 G 8.82 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 63 S 9.03 4.09 0.00 3.97 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 64 G 8.72 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 0.00 0.00 0.00 65 A 7.66 3.90 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 L 7.73 3.81 0.00 1.42 0.36 0.83 0.68 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 67 G 7.99 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 0.00 0.00 0.00 68 L 8.45 4.07 0.00 1.71 1.71 0.84 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.04 3.66 0.00 1.94 1.55 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 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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 0.00 0.00 0.00 0.00 0.00 79 T 9.10 4.84 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 1.17 0.00 0.00 80 L 8.77 4.85 0.00 1.52 1.53 0.93 0.54 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 81 I 8.62 4.48 1.63 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 0.76 0.07 0.53 0.00 0.00 82 E 8.65 4.43 0.00 1.99 1.72 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 2.19 2.44 0.00 *84 D 8.54 4.49 0.00 2.79 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 85 R 8.75 3.85 0.00 1.92 1.91 0.00 3.24 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 86 A 8.05 3.99 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 87 V 8.14 3.54 2.20 0.00 0.00 0.00 0.00 0.00 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 0.00 114 L 7.96 3.74 0.00 1.57 1.51 0.72 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.23 4.47 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 Q 7.31 4.46 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 117 K 8.54 3.64 0.00 1.68 1.64 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.63 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.21 1.27 7.81 118 G 8.05 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 0.00 0.00 0.00 0.00 0.00 0.00 119 T 6.86 4.69 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 1.35 0.00 0.00 120 P 0.00 4.61 0.00 2.10 2.11 0.00 3.68 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 121 H 9.04 4.99 0.00 3.30 3.40 0.00 5.81 0.00 0.00 0.00 0.00 6.77 0.00 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3.88 4.52 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 1.30 0.00 0.00 139 I 7.65 3.71 1.81 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 1.48 1.21 0.04 0.00 0.00 140 N 8.10 4.29 0.00 2.73 2.81 0.00 0.00 7.07 6.88 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 0.00 141 L 8.03 4.09 0.00 1.87 1.79 0.96 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.31 4.26 0.00 2.12 2.02 1.09 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 143 E 8.14 4.19 0.00 2.24 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 0.00 2.36 2.47 0.00 144 D 8.22 4.68 0.00 2.79 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.27 4.75 0.00 3.18 3.01 0.00 0.00 6.81 8.11 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 0.00 146 G 8.32 3.87 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 0.00 0.00 0.00 147 W 7.88 4.89 0.00 3.54 3.31 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 0.00 148 L 7.81 5.27 0.00 1.56 1.55 1.04 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 149 A 9.04 4.18 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 0.00 150 D 8.43 4.36 0.00 2.60 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 0.00 151 E 7.84 5.90 0.00 1.76 1.83 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 2.28 2.08 0.00 152 A 7.98 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 0.00 153 L 8.63 4.95 0.00 1.49 1.52 0.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 154 I 8.51 4.79 1.58 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.44 1.09 0.00 0.00 155 Y 9.41 5.11 0.00 3.18 3.08 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 0.00 156 V 8.84 4.77 2.35 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 1.02 0.00 0.00 1.16 0.00 0.00 157 E 8.20 4.84 0.00 1.82 1.83 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 2.11 1.98 0.00 158 S 8.34 4.58 0.00 3.87 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.71 4.31 0.00 2.26 1.83 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 2.38 2.33 0.00 160 V 8.76 3.51 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.92 0.00 0.00 161 E 8.29 4.18 0.00 1.95 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 2.30 2.36 0.00 162 N 8.15 4.35 0.00 2.88 2.85 0.00 0.00 7.03 7.83 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 0.00 163 G 8.16 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 0.00 164 L 8.22 4.23 0.00 1.69 1.70 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 165 P 0.00 4.40 0.00 2.07 2.02 0.00 3.92 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 2.01 2.05 0.00 166 T 8.52 3.86 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 1.11 0.00 0.00 167 V 7.74 3.93 1.54 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 0.10 0.00 0.00 0.93 0.00 0.00 168 P 0.00 4.22 0.00 2.10 1.80 0.00 2.20 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.61 0.00 169 A 8.44 4.05 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 0.00 170 N 8.29 4.79 0.00 3.14 3.14 0.00 0.00 6.21 8.88 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 0.00 171 W 8.20 5.41 0.00 3.24 3.24 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 0.00 172 S 9.09 5.01 0.00 3.90 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 0.00 173 L 8.79 3.59 0.00 1.58 1.55 0.30 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 174 H 9.21 4.64 0.00 3.05 3.24 0.00 5.94 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 R 7.11 4.28 0.00 0.67 0.66 0.00 2.60 0.00 0.00 2.73 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.50 0.00 176 E 8.04 5.18 0.00 1.79 1.71 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 2.26 2.34 0.00 177 K 9.99 4.84 0.00 2.21 1.93 0.00 1.61 0.00 0.00 1.45 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.50 7.81 178 V 8.74 5.00 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 0.93 0.00 0.00 0.98 0.00 0.00 179 A 8.87 4.66 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 0.00 180 G 8.55 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 0.00 0.00 0.00 181 Q 8.66 4.35 0.00 2.24 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.70 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 182 V 7.65 4.63 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.89 0.00 0.00 183 A 9.05 5.03 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 0.00 184 Y 9.40 4.93 0.00 3.21 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 0.00 185 R 9.22 5.18 0.00 1.75 1.47 0.00 3.17 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 186 L 8.59 5.26 0.00 1.78 1.17 1.14 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 187 Y 9.09 4.99 0.00 2.84 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 0.00 188 Q 9.02 4.81 0.00 1.79 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.13 2.24 0.00 189 R 8.58 4.76 0.00 1.00 1.42 0.00 3.22 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 190 E 8.87 4.89 0.00 1.90 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 2.27 2.40 0.00 191 A 8.57 4.19 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 0.00 192 Q 8.28 4.19 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.60 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.