NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5052 8.3044 120.6207 55.4043 34.7381 175.8536 2 K 4.1466 7.8266 119.6745 56.0279 33.5869 174.3740 3 K 5.1408 10.7800 129.3758 55.1640 34.5217 174.9697 4 I 5.0885 9.2547 126.2477 59.5171 40.6959 174.5172 5 V 4.7239 8.8361 127.2959 61.2189 33.6696 174.2030 6 L 4.8470 8.8364 128.0204 52.9883 44.5234 174.8090 7 Y 4.7255 8.6871 125.7791 55.6050 40.1881 174.6742 8 G 4.1576 7.9593 113.8608 45.9301 0.0000 171.2171 9 G 2.9858 7.8765 107.3548 45.1892 0.0000 174.5206 10 Q 3.8874 8.4596 121.5842 56.3997 29.6624 176.1754 11 F 3.9007 7.4425 115.2730 58.9431 36.4614 175.1913 12 N 5.3053 7.6245 117.9642 51.1131 39.0478 170.8756 13 P 5.0499 0.0000 0.0000 59.8678 33.9458 176.2213 14 I 4.0273 8.0703 119.0990 61.4933 38.5967 174.3345 15 H 5.0299 8.3536 119.8720 53.5877 31.9528 173.9413 16 T 3.9556 8.7078 114.9989 66.7944 67.9762 176.9003 17 A 4.1236 8.1565 122.4257 55.3954 18.4867 179.0723 18 H 4.5883 8.3291 114.3629 59.5830 28.8528 177.6700 19 M 4.2106 8.1365 119.9266 58.5073 31.8039 178.9152 20 I 3.7923 7.8517 119.7590 64.2144 37.2789 178.5541 21 V 3.5629 7.9984 118.8611 65.9735 31.3600 177.8188 22 A 4.0791 8.1198 120.3194 55.2929 18.3170 179.3965 23 S 4.2642 8.2828 111.5120 61.7883 62.5120 176.2761 24 E 4.0031 8.3305 121.1155 59.4210 29.1786 179.6020 25 V 3.5640 7.8581 118.2635 65.8043 31.6096 177.7411 26 F 3.9221 8.2325 120.4218 61.7980 38.9211 176.9488 27 H 3.9478 7.8932 114.1087 58.3592 28.4905 177.2083 28 E 4.0033 7.9864 120.7333 58.8813 29.6396 178.1170 29 L 4.0348 7.8436 117.0169 54.1136 43.3410 176.6241 30 Q 2.6996 7.4231 117.1458 56.0179 26.4085 171.2611 31 P 4.4744 0.0000 0.0000 62.1350 33.0514 176.9150 32 D 4.6209 8.4828 119.1821 56.9764 41.2505 176.9815 33 E 4.8699 8.1744 115.6863 54.4957 34.7273 174.6532 34 F 4.9808 8.5706 123.3147 56.8756 42.8205 172.7110 35 Y 5.2833 8.7066 124.7831 56.1058 40.0333 175.2371 36 F 4.6447 9.4455 124.3726 57.4470 40.5242 174.4037 37 L 4.9512 9.2851 127.5935 52.4211 42.7295 172.2306 38 P 5.3118 0.0000 0.0000 62.1929 32.2623 176.7025 39 S 4.9284 8.8618 118.9505 57.6612 64.3617 175.0583 40 F 4.1780 9.1230 123.2256 60.5514 39.5925 175.6656 41 M 4.5051 7.8734 122.1299 52.8726 34.2731 175.3126 42 S 4.2970 8.8930 120.0322 57.2370 62.5386 172.8263 43 P 4.3469 0.0000 0.0000 63.4023 31.6742 176.1622 44 L 3.8851 8.5916 116.8800 55.3556 39.0330 174.4917 45 K 4.5735 7.3381 117.7262 54.5080 35.3005 175.7922 46 K 4.2327 8.4292 124.4489 56.2866 33.1612 177.3220 47 H 5.0112 8.1402 120.2849 53.8993 29.8170 174.2724 48 H 4.2934 8.7216 120.2647 57.4563 28.3471 178.0700 49 D 4.6567 9.2042 124.9536 53.6383 39.9938 177.1217 50 F 4.1343 7.9761 120.3504 58.1664 38.9197 174.5101 51 I 3.8378 7.8958 120.7709 60.6598 38.1871 175.1332 52 D 4.6174 8.1563 120.9302 52.1424 43.7314 176.9960 53 V 3.4955 8.4217 119.4635 66.4172 31.1058 177.3662 54 Q 3.9567 8.0575 118.3518 59.4553 28.9720 177.8720 55 H 4.4589 7.7450 118.4838 58.5868 28.9062 177.9029 56 R 3.9563 7.9808 119.1650 59.3853 29.9252 179.0524 57 L 3.9556 7.8535 118.4388 57.8870 41.6013 179.6063 58 T 3.6715 7.8415 115.6585 66.9448 68.4038 176.5901 59 M 3.8247 7.5956 120.1426 58.2502 31.9289 178.8828 60 I 3.2025 7.4207 119.8257 64.2227 37.1227 178.2042 61 Q 3.7974 7.9394 120.3134 59.3680 28.9504 178.1892 62 M 3.8989 7.8283 119.6689 58.3268 31.9465 178.7780 63 I 3.4952 7.3612 119.7416 64.2650 37.1836 178.4593 64 I 3.3158 7.2591 120.4248 64.3768 36.7089 177.9005 65 D 4.2839 7.8350 118.5578 57.6377 40.7615 178.6147 66 E 4.0008 7.6297 117.6256 59.2118 29.7242 178.4886 67 L 4.0167 7.9134 118.6092 55.7606 41.5578 178.4822 68 G 3.8839 9.2238 105.5940 45.2319 0.0000 172.4618 69 F 4.6446 7.0361 112.3174 55.3310 40.6293 174.0295 70 G 4.2104 9.2833 107.6496 45.4893 0.0000 172.5020 71 D 4.9635 8.7655 118.1138 52.6366 45.4013 175.6834 72 I 5.0489 8.2928 121.3706 59.9756 39.1343 176.8410 *74 D 4.6642 8.4886 126.2550 54.0477 41.1011 176.8241 75 D 4.4220 8.3225 121.8802 58.2728 40.8868 178.4934 76 E 4.0769 8.2017 118.4031 59.2506 29.2976 179.3388 77 I 3.9886 7.7567 118.7213 64.4454 37.3952 178.0046 78 K 4.0775 7.9065 117.9784 59.6206 31.9664 179.1072 79 R 3.9880 8.0570 117.9540 57.5348 30.3407 177.7729 80 G 2.8997 8.3039 107.4229 45.1070 0.0000 173.0632 81 G 3.7867 7.4847 106.1521 45.1326 0.0000 172.3177 82 Q 4.1527 8.4614 118.4888 56.2242 29.2459 177.4408 83 S 4.4402 7.9672 121.0866 57.4242 61.5263 172.6111 84 Y 4.2838 7.4259 120.4761 57.5822 39.2535 175.9145 85 T 3.9025 8.6578 122.1929 66.7711 68.5750 175.7379 86 Y 4.1714 8.4071 120.9732 61.0701 38.6665 177.9667 87 D 4.2905 8.4865 119.0904 57.5681 40.9673 178.7681 88 T 3.9216 7.7718 116.1263 66.8754 68.4523 176.8712 89 I 3.7605 8.1138 122.0902 63.9707 36.5445 178.2625 90 K 3.6836 7.9879 120.5254 59.6075 31.7388 178.6717 91 A 4.0033 7.4312 119.4881 55.0719 18.4817 179.0439 92 F 4.1201 8.4618 119.3001 61.2733 39.4634 177.3202 93 K 4.0758 8.5600 119.9152 59.3151 31.8532 178.1871 94 E 4.1686 7.7267 114.9474 57.9351 29.8877 177.6182 95 Q 4.1865 7.4078 119.1095 56.7678 30.1886 175.1457 96 H 4.7774 7.6972 116.4509 55.0277 30.1086 173.6433 97 K 4.0876 7.6649 118.0693 57.8860 32.8259 177.4775 98 D 4.6939 8.9376 118.9377 54.6283 38.0567 173.5488 99 S 5.0569 7.7190 112.5353 56.4030 66.1984 172.9093 100 E 4.3306 9.3118 124.0746 55.6664 30.8817 174.7826 101 L 5.2395 8.3589 126.6085 53.4394 44.3662 174.8112 102 Y 4.9861 9.1669 121.1890 56.0396 41.4954 174.2419 103 F 5.0689 9.0160 126.5121 56.3261 42.0032 173.9440 104 V 4.8664 8.0260 127.2574 62.1159 32.3536 175.1460 105 I 5.0627 9.0737 120.4026 59.4726 41.7077 175.1374 106 G 4.6317 8.8370 112.6226 44.3145 0.0000 174.7033 107 T 3.9921 8.7728 115.7410 67.0261 68.0194 176.2275 108 D 4.4820 8.2127 118.8875 56.7296 39.6557 178.2590 109 Q 4.3666 8.1840 118.8389 58.7067 28.7950 177.3117 110 Y 3.9229 7.8386 119.5984 61.0083 38.8809 178.0157 111 N 4.4212 8.3202 115.5380 54.7308 38.7569 175.7081 112 Q 4.7242 7.5863 118.3362 55.5588 29.3007 177.5015 113 L 3.2235 7.6975 123.6420 58.3258 42.1501 178.5452 114 E 3.9979 7.9435 115.2340 58.2743 29.4491 177.4582 115 K 4.4019 7.9827 117.8699 56.5205 32.7377 177.0283 116 W 4.5504 8.1222 119.6925 56.0627 29.6747 175.5064 117 Y 4.1486 8.7930 123.0732 58.8861 38.9075 175.6936 118 Q 3.1960 8.3613 125.9437 56.7196 26.5125 175.7706 119 I 3.7994 7.7977 118.6651 64.3415 37.9549 176.1716 120 E 3.8944 8.0371 118.2098 59.5265 29.4468 178.4954 121 Y 4.1824 7.8288 116.3495 60.8511 38.1289 177.7042 122 L 4.1748 8.3757 121.4151 58.2144 42.0565 179.1618 123 K 4.2352 8.3031 117.1643 58.9441 32.1355 177.7090 124 E 4.2935 7.7911 116.9062 57.6728 29.9018 177.1532 125 M 4.3313 7.8961 117.5353 56.2060 32.9108 176.4037 126 V 4.5278 7.2416 109.1964 59.6102 36.1840 175.5477 127 T 4.3143 8.1354 119.7629 62.0053 69.7733 174.5988 128 F 4.7099 8.7909 126.4001 57.6072 40.4627 174.4530 129 V 4.8233 9.4471 124.0726 61.2529 33.7888 174.1863 130 V 4.9042 8.9637 128.8150 61.2837 33.7125 174.7007 131 V 5.3050 8.7851 121.0309 58.4521 34.5935 174.9431 132 N 4.7120 8.6743 121.5673 52.9803 36.8409 174.4313 133 R 4.4935 8.6842 122.2062 55.7274 32.8846 174.6818 134 D 4.6961 9.2622 123.9641 54.6362 38.2476 173.0537 135 K 4.4163 7.2101 115.9684 56.6738 35.3764 174.7132 136 N 4.6491 8.6936 116.0646 54.5601 39.0983 175.4930 137 S 4.6739 7.6319 110.3201 56.6223 66.1317 172.7820 138 Q 4.4501 8.3690 121.2501 54.3082 31.2268 174.1247 139 N 4.8247 8.6314 122.4900 51.9766 40.1378 174.5163 140 V 4.4703 7.7585 114.0460 59.0357 35.9090 174.7406 141 E 4.2616 8.4222 121.4560 55.7662 30.1262 176.9387 142 N 4.4331 8.5717 119.7538 55.8319 39.1915 175.8791 143 A 4.1248 8.0294 119.5879 54.2847 18.7406 176.5991 144 M 4.7647 7.7230 114.8090 53.8517 35.1570 175.3886 145 I 4.5553 8.5980 120.1780 59.6408 39.9255 174.8987 146 A 4.9258 8.6362 129.1277 50.7908 20.2388 176.0712 147 I 4.3847 8.4946 123.8623 59.3796 39.9399 174.6891 148 Q 4.7315 8.7720 129.4116 55.3816 29.4572 174.9651 149 I 4.5852 8.9578 120.1497 57.8237 40.3515 173.6457 150 P 4.2238 0.0000 0.0000 62.5225 31.4955 176.5096 151 R 3.8992 8.5738 124.0525 56.3497 30.3347 175.8625 152 V 4.2336 8.1356 124.2916 61.5319 33.7117 175.5688 153 D 4.7165 8.5312 132.3088 53.1913 39.4856 176.2897 154 I 4.4717 7.2918 119.7084 59.3240 40.1036 176.3439 155 S 4.8218 7.9979 118.1588 55.9491 67.4615 175.3873 156 S 4.1665 8.6062 118.3661 61.9555 62.5039 176.9759 157 T 3.7762 7.8745 118.0259 66.8187 68.2228 175.7441 158 M 3.9376 7.9631 119.9025 58.8341 32.1654 178.2542 159 I 3.6394 7.3318 119.5072 64.5890 37.3138 178.7099 160 R 3.5905 7.7619 118.7271 58.9394 29.8738 178.8559 161 Q 3.8947 8.2889 119.7091 59.2457 29.0770 178.4264 162 R 3.8804 7.9845 118.9689 59.4709 30.2334 179.0817 163 V 3.6276 7.7681 117.9635 66.1538 31.2782 178.2021 164 S 4.1611 7.9402 113.1042 60.9100 62.9077 175.2586 165 E 4.4238 7.9273 118.3642 55.5180 29.6644 176.9075 166 G 3.8920 7.5578 106.3485 46.2778 0.0000 174.3199 167 K 4.1991 7.8925 118.7230 55.3122 32.7288 177.2202 168 S 4.2586 8.5246 117.0783 58.7593 62.6110 173.7656 169 I 4.4794 8.1174 117.6036 60.2874 37.9580 174.7194 170 Q 4.0419 7.6027 121.1504 58.4450 29.1990 176.4428 171 V 3.9345 8.7045 126.9284 63.4964 31.7638 172.7545 172 L 4.1298 7.7764 118.5956 56.8197 41.7178 177.0988 173 V 4.7898 7.0816 109.1819 58.1589 34.9895 174.1616 174 P 4.4850 0.0000 0.0000 62.0747 33.1896 177.5793 175 K 3.9107 8.5975 120.3852 59.7330 32.0282 179.1157 176 S 4.0999 7.9457 114.0183 61.5717 62.9250 176.6010 177 V 3.6203 7.6872 121.8261 65.2236 31.3812 177.1788 178 E 3.9504 8.3297 119.1773 59.7298 29.4784 178.7917 179 N 4.4017 8.3654 116.2612 56.1904 37.9799 176.9537 180 Y 3.9888 8.1824 121.1310 60.6505 38.9254 177.8106 181 I 3.5873 8.0370 120.9325 64.3034 37.2703 178.1987 182 K 3.9062 7.9983 120.1393 59.6315 31.8995 178.8082 183 G 3.7085 7.8485 104.6115 47.4924 0.0000 174.2608 184 E 4.2861 7.8305 117.4774 54.8834 29.9139 176.4799 185 G 3.8358 7.6321 106.8383 46.1548 0.0000 174.1591 186 L 3.5733 7.3348 119.7415 55.5480 41.8661 178.0485 187 Y 3.9050 8.0638 118.2009 58.3818 35.8777 169.7533 188 E 4.2139 7.6403 119.3132 56.2682 30.3165 176.5750 189 H 4.5858 8.5184 116.4717 55.7527 28.8527 174.6259 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.51 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 2 K 7.83 4.15 0.00 1.94 1.75 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.55 7.81 3 K 10.78 5.14 0.00 1.66 1.69 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.55 0.00 0.00 2.23 0.00 0.00 0.00 0.00 1.48 1.40 7.81 4 I 9.25 5.09 2.11 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 1.35 1.04 1.24 0.00 0.00 5 V 8.84 4.72 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 0.38 0.00 0.00 0.85 0.00 0.00 6 L 8.84 4.85 0.00 1.46 1.32 0.71 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.69 4.73 0.00 2.48 2.47 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 8 G 7.96 4.16 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 0.00 9 G 7.88 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 0.00 0.00 0.00 10 Q 8.46 3.89 0.00 1.94 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.65 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 11 F 7.44 3.90 0.00 3.21 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 12 N 7.62 5.31 0.00 2.60 2.69 0.00 0.00 7.25 7.69 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 13 P 0.00 5.05 0.00 2.33 2.30 0.00 3.34 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 14 I 8.07 4.03 1.64 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.72 0.78 0.00 0.00 15 H 8.35 5.03 0.00 3.55 3.42 0.00 5.71 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.71 3.96 4.36 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 1.24 0.00 0.00 17 A 8.16 4.12 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 18 H 8.33 4.59 0.00 3.47 3.73 0.00 5.63 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 19 M 8.14 4.21 0.00 2.09 2.38 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.53 0.00 20 I 7.85 3.79 2.09 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 1.45 1.04 0.96 0.00 0.00 21 V 8.00 3.56 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 0.57 0.00 0.00 1.13 0.00 0.00 22 A 8.12 4.08 1.57 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 0.00 0.00 23 S 8.28 4.26 0.00 4.16 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 24 E 8.33 4.00 0.00 2.05 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 2.65 2.45 0.00 25 V 7.86 3.56 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.95 0.00 0.00 26 F 8.23 3.92 0.00 2.38 2.42 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 0.00 27 H 7.89 3.95 0.00 3.21 3.30 0.00 5.90 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.99 4.00 0.00 2.11 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 29 L 7.84 4.03 0.00 1.39 1.35 0.59 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.42 2.70 0.00 1.93 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.96 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 31 P 0.00 4.47 0.00 2.39 1.94 0.00 3.01 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 32 D 8.48 4.62 0.00 2.81 2.82 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 33 E 8.17 4.87 0.00 1.98 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 34 F 8.57 4.98 0.00 3.31 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 35 Y 8.71 5.28 0.00 2.80 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 36 F 9.45 4.64 0.00 3.04 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 37 L 9.29 4.95 0.00 1.75 1.59 0.93 0.94 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 38 P 0.00 5.31 0.00 2.23 2.26 0.00 3.96 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 39 S 8.86 4.93 0.00 3.89 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.12 4.18 0.00 3.22 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 M 7.87 4.51 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.15 0.00 42 S 8.89 4.30 0.00 3.86 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 43 P 0.00 4.35 0.00 2.02 1.91 0.00 3.43 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.39 0.00 44 L 8.59 3.89 0.00 1.78 1.78 1.01 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.34 4.57 0.00 1.69 1.71 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.15 1.31 7.81 46 K 8.43 4.23 0.00 1.74 1.50 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.44 7.81 47 H 8.14 5.01 0.00 3.12 3.47 0.00 5.71 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 H 8.72 4.29 0.00 3.20 3.10 0.00 5.69 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 9.20 4.66 0.00 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0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 58 T 7.84 3.67 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 0.59 0.00 0.00 59 M 7.60 3.82 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 60 I 7.42 3.20 1.76 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.68 0.36 0.00 0.00 61 Q 7.94 3.80 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 62 M 7.83 3.90 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.44 0.00 63 I 7.36 3.50 1.52 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.23 0.47 0.00 0.00 64 I 7.26 3.32 1.81 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 1.48 0.31 0.89 0.00 0.00 65 D 7.84 4.28 0.00 2.68 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Y 8.79 4.15 0.00 2.68 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 0.00 118 Q 8.36 3.20 0.00 1.45 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.67 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 119 I 7.80 3.80 2.13 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.38 0.88 0.00 0.00 120 E 8.04 3.89 0.00 1.73 1.78 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 2.23 2.23 0.00 121 Y 7.83 4.18 0.00 3.10 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 0.00 122 L 8.38 4.17 0.00 2.16 1.90 0.94 0.88 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 0.00 123 K 8.30 4.24 0.00 1.83 1.94 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.66 1.66 7.81 124 E 7.79 4.29 0.00 2.10 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 2.30 2.38 0.00 125 M 7.90 4.33 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.01 2.58 0.00 126 V 7.24 4.53 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 0.61 0.00 0.00 0.20 0.00 0.00 127 T 8.14 4.31 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 128 F 8.79 4.71 0.00 3.13 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 0.00 129 V 9.45 4.82 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 1.04 0.00 0.00 1.18 0.00 0.00 130 V 8.96 4.90 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 0.69 0.00 0.00 0.86 0.00 0.00 131 V 8.79 5.30 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 1.20 0.00 0.00 1.05 0.00 0.00 132 N 8.67 4.71 0.00 2.89 2.83 0.00 0.00 5.77 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 0.00 133 R 8.68 4.49 0.00 1.87 1.83 0.00 3.36 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 134 D 9.26 4.70 0.00 2.91 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 0.00 135 K 7.21 4.42 0.00 1.93 1.76 0.00 1.62 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.59 7.81 136 N 8.69 4.65 0.00 2.72 2.91 0.00 0.00 6.66 7.57 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 0.00 137 S 7.63 4.67 0.00 3.90 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 0.00 138 Q 8.37 4.45 0.00 1.91 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 139 N 8.63 4.82 0.00 2.74 2.71 0.00 0.00 6.90 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 7.76 4.47 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 0.17 0.00 0.00 0.91 0.00 0.00 141 E 8.42 4.26 0.00 2.06 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 2.39 2.32 0.00 142 N 8.57 4.43 0.00 2.73 2.84 0.00 0.00 6.97 7.96 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 0.00 143 A 8.03 4.12 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 0.00 144 M 7.72 4.76 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.69 0.00 145 I 8.60 4.56 1.97 0.00 0.00 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 1.23 0.83 0.94 0.00 0.00 146 A 8.64 4.93 1.18 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 0.00 0.00 147 I 8.49 4.38 1.86 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 1.10 1.46 0.90 0.00 0.00 148 Q 8.77 4.73 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 149 I 8.96 4.59 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.87 0.92 0.00 0.00 150 P 0.00 4.22 0.00 2.08 2.06 0.00 3.70 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 151 R 8.57 3.90 0.00 1.78 1.86 0.00 3.20 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 152 V 8.14 4.23 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 0.92 0.00 0.00 1.03 0.00 0.00 153 D 8.53 4.72 0.00 2.69 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 0.00 154 I 7.29 4.47 1.78 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 1.43 0.56 0.68 0.00 0.00 155 S 8.00 4.82 0.00 4.00 3.91 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 0.00 156 S 8.61 4.17 0.00 3.92 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 0.00 157 T 7.87 3.78 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 1.18 0.00 0.00 158 M 7.96 3.94 0.00 2.20 2.04 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 2.57 2.56 0.00 159 I 7.33 3.64 1.89 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 1.67 0.69 0.87 0.00 0.00 160 R 7.76 3.59 0.00 1.79 1.75 0.00 2.87 0.00 0.00 2.91 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.18 0.00 161 Q 8.29 3.89 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 162 R 7.98 3.88 0.00 2.00 2.12 0.00 3.17 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 163 V 7.77 3.63 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 1.17 0.00 0.00 1.03 0.00 0.00 164 S 7.94 4.16 0.00 4.13 4.12 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 0.00 165 E 7.93 4.42 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.31 0.00 166 G 7.56 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 0.00 0.00 0.00 167 K 7.89 4.20 0.00 1.92 1.74 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.37 7.81 168 S 8.52 4.26 0.00 3.82 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 0.00 169 I 8.12 4.48 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.82 0.92 0.00 0.00 170 Q 7.60 4.04 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 5.80 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 171 V 8.70 3.93 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 0.82 0.00 0.00 0.93 0.00 0.00 172 L 7.78 4.13 0.00 1.87 1.69 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 173 V 7.08 4.79 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.04 0.00 0.00 174 P 0.00 4.49 0.00 2.12 2.11 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 175 K 8.60 3.91 0.00 1.81 1.81 0.00 1.72 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.51 7.81 176 S 7.95 4.10 0.00 4.05 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 0.00 177 V 7.69 3.62 2.20 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 1.15 0.00 0.00 0.86 0.00 0.00 178 E 8.33 3.95 0.00 2.21 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 2.33 2.39 0.00 179 N 8.37 4.40 0.00 2.81 2.87 0.00 0.00 6.75 7.05 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 0.00 180 Y 8.18 3.99 0.00 3.15 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 0.00 181 I 8.04 3.59 2.07 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.67 1.01 0.00 0.00 182 K 8.00 3.91 0.00 1.93 1.77 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.44 7.81 183 G 7.85 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 E 7.83 4.29 0.00 1.44 1.58 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 1.52 1.47 0.00 185 G 7.63 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 0.00 186 L 7.33 3.57 0.00 1.22 0.37 0.74 0.36 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 0.00 187 Y 8.06 3.91 0.00 3.18 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 0.00 188 E 7.64 4.21 0.00 2.10 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 2.31 2.23 0.00 189 H 8.52 4.59 0.00 3.18 3.30 0.00 5.75 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 * Residues marked with a * may have inaccurate shift predictions.