NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1914 8.3044 118.1942 53.1043 33.3168 172.3370 2 L 3.2091 8.1133 125.3119 54.2547 40.7925 171.8394 3 T 3.7778 8.1295 125.8610 63.7058 69.9424 173.4657 4 D 4.7396 7.7903 129.4749 52.2136 42.2390 175.4950 5 P 4.3472 0.0000 0.0000 65.3845 31.1655 178.7176 6 I 3.7365 7.8005 118.3479 64.2138 37.3019 177.5996 7 A 3.9308 9.1227 122.0875 55.5832 18.0376 178.7485 8 D 4.2306 8.1097 116.0517 57.8737 41.2221 177.9849 9 M 4.1671 8.0760 118.1328 58.8555 32.2613 177.9162 10 L 3.8791 7.9862 118.8923 58.3792 41.7933 179.8309 11 T 3.7807 8.4073 115.3293 66.7797 68.5513 176.5637 12 R 3.8215 8.7188 121.0387 59.7169 30.0419 179.1434 13 I 3.6776 7.8421 119.1954 64.1618 37.0026 178.5411 14 R 3.7374 7.8553 119.5353 59.5871 29.7600 178.4077 15 N 4.3176 8.7186 115.4025 55.8695 38.8057 177.0812 16 A 4.1518 7.8513 122.2164 55.0305 18.8021 179.3595 17 T 3.8524 7.8804 108.5638 65.3612 68.3397 176.3971 18 R 3.8147 7.3503 119.2432 58.3128 30.1733 177.9061 19 V 4.1518 7.4137 107.7683 60.9597 32.1493 175.4635 20 Y 3.7998 7.9046 116.2565 59.0327 35.1432 169.7983 21 K 4.1843 8.1410 117.8812 56.6280 33.1061 176.8279 22 E 4.2723 8.6831 120.4621 58.9301 30.0207 176.2560 23 S 4.8741 7.4677 108.8253 58.5711 64.8040 174.8018 24 T 4.5272 8.1994 123.9331 62.1795 70.8518 174.5175 25 D 5.3727 8.5973 125.2469 53.6285 43.0433 175.5917 26 V 4.5125 8.1611 115.2634 60.2439 34.2221 171.0039 27 P 4.2862 0.0000 0.0000 63.0476 31.5763 176.1043 28 A 4.2092 8.4963 127.0212 52.1206 19.4810 176.9802 29 S 4.3471 8.5199 110.0882 56.2634 65.6764 176.2824 30 R 3.8878 8.7460 128.6228 60.0197 29.2569 178.1220 31 F 4.1321 8.2591 119.4665 61.1802 39.1148 176.8455 32 K 3.6116 8.2302 117.7016 59.9789 31.8031 177.9740 33 E 3.5746 8.2185 117.8474 59.5753 29.2608 179.1725 34 E 3.8159 7.8500 117.1044 59.7776 29.7972 179.8821 35 I 3.5165 6.8497 119.1003 64.6034 37.0783 178.0486 36 L 3.8454 7.3857 119.1139 57.6504 41.3804 179.3747 37 R 4.3616 8.0646 118.3116 59.9020 30.0501 178.5707 38 I 3.6984 8.1271 119.5045 64.4733 37.2682 178.0254 39 L 4.0087 8.3888 121.2880 58.1448 41.5973 178.9932 40 A 4.0822 9.0639 121.6324 54.9463 18.6186 179.1692 41 R 3.7538 8.1950 116.5932 59.8262 30.0909 177.4932 42 E 4.0436 8.3242 115.3078 57.5823 29.6220 177.5835 43 G 3.9741 8.7149 108.2558 45.5790 0.0000 174.6368 44 F 4.5363 7.8900 119.3246 58.1830 39.5213 176.2988 45 I 4.6822 7.4544 112.6221 58.8283 40.1820 175.0284 46 K 3.9218 8.6146 123.4352 57.8245 32.4712 177.5803 47 G 3.9775 7.1739 104.2980 45.6964 0.0000 169.8591 48 Y 6.1034 7.3572 117.2319 56.7122 41.3994 173.7821 49 E 4.9197 8.8385 113.2451 55.3943 32.0218 175.8423 50 R 4.6526 9.0682 121.5644 57.5162 30.8115 176.8986 51 V 4.3331 7.9181 114.3901 61.9188 35.8525 174.1205 52 D 4.4723 8.6002 119.4695 54.8965 43.6226 176.0840 53 V 4.1763 8.7287 127.9888 62.0923 32.0958 175.2823 54 D 4.7073 9.9222 128.6420 55.3177 38.5350 173.7126 55 G 3.8271 8.6324 101.9880 46.1937 0.0000 174.8245 56 K 4.4164 8.0572 117.7684 53.4432 35.9051 174.4012 57 P 4.6039 0.0000 0.0000 63.2467 32.6158 175.2280 58 Y 5.0958 8.4226 121.2404 56.7958 43.2092 173.6804 59 L 5.0850 8.9807 119.1884 53.6878 45.8252 176.6097 60 R 4.1287 9.0351 124.3405 56.1609 31.4951 176.3273 61 V 4.8022 7.8829 122.1087 61.0776 33.9575 173.3781 62 Y 4.5376 9.4406 126.4330 57.4242 38.5268 175.3730 63 L 4.4178 8.7045 125.3922 54.4058 42.5816 176.7643 64 K 4.6726 8.1842 122.8516 55.5802 34.6875 174.4700 65 Y 4.8776 8.1961 120.0747 56.6067 42.9468 174.6204 66 G 4.4881 9.0476 109.8562 44.8189 0.0000 171.5423 67 P 4.7065 0.0000 0.0000 62.0784 32.1800 176.4758 68 R 4.0151 8.4887 120.3820 56.5373 30.5384 175.8598 69 R 4.6225 8.1802 121.3645 54.7061 32.1695 175.9670 70 Q 4.2376 8.3649 119.4650 56.1270 29.9753 176.6379 71 G 3.8541 8.5468 107.0849 43.6929 0.0000 171.1187 72 P 4.1580 0.0000 0.0000 64.3585 31.7786 176.1019 73 D 4.3140 8.7444 119.1983 54.5667 37.4135 173.1667 74 P 4.7502 0.0000 0.0000 61.7661 30.9504 177.4940 75 R 3.6666 8.0438 119.4683 56.7562 30.0939 174.8279 76 P 4.5003 0.0000 0.0000 62.4917 31.7879 175.8620 77 E 4.1590 9.1888 125.4218 56.9171 30.6434 176.2862 78 Q 4.6758 8.8212 123.3670 55.8641 29.5819 175.9273 79 V 3.8290 8.2751 119.8032 63.9141 32.4255 175.7342 80 I 4.2876 7.3318 120.4684 59.9904 37.0013 174.7727 81 H 4.4792 8.4106 123.5053 57.8495 29.5103 175.5995 82 H 4.3890 7.9265 118.6013 54.6116 33.2291 172.3110 83 I 4.7322 7.3981 123.6573 60.0410 41.2560 173.5617 84 R 4.4253 8.2014 127.0273 55.3428 34.0446 173.9552 85 R 4.3587 8.6709 127.0415 56.3992 30.1782 174.9965 86 I 3.9804 7.8547 126.6951 62.9704 38.2371 175.6595 87 S 4.1335 8.2273 118.5818 58.4915 62.6176 174.6836 88 K 4.4947 8.2158 127.6246 53.9134 33.9208 175.8255 89 P 4.1864 0.0000 0.0000 65.5626 31.3202 177.4027 90 G 3.9050 7.7849 105.7523 44.6738 0.0000 173.7925 91 R 4.4362 7.0007 115.7460 55.6325 32.2101 172.7111 92 R 4.0877 8.3069 122.0401 55.3619 31.2339 176.1241 93 V 4.2491 8.0845 122.5129 61.2518 33.9263 173.9905 94 Y 5.4359 8.3410 123.9377 56.4659 41.7105 175.0234 95 V 4.6802 8.9572 116.5624 59.4288 35.7339 175.8481 96 G 4.1210 9.0525 113.5424 44.6748 0.0000 174.4146 97 V 3.7481 8.3355 120.1738 64.5705 31.5072 178.5226 98 K 4.3392 8.0875 116.1243 56.2371 31.5129 176.7488 99 E 4.9342 8.0572 112.5520 55.7239 30.9976 176.1093 100 I 4.3893 7.6808 119.1289 59.7783 39.1875 174.7836 101 P 4.2849 0.0000 0.0000 62.7719 31.7375 176.3732 102 R 4.3999 8.1873 120.6032 54.2288 30.6432 176.1280 103 V 3.5195 8.2581 124.0398 63.7943 32.7595 175.8871 104 R 3.1947 9.0247 126.8845 59.3373 27.8596 175.5702 105 R 3.8086 8.6614 109.8612 57.3520 28.4603 177.6785 106 G 4.1289 8.1523 107.9918 45.8295 0.0000 176.0563 107 L 4.0403 8.0602 119.7513 57.6001 41.6828 177.8579 108 G 4.2446 7.7593 104.0647 45.5456 0.0000 172.5747 109 I 4.9285 8.8870 119.6079 59.3255 41.4553 174.4167 110 A 5.2088 8.4718 127.5759 48.8245 20.0808 175.0641 111 I 4.3127 8.0757 114.6876 61.3904 39.3637 175.3082 112 L 4.7146 8.3685 122.3326 54.8171 44.0557 174.3844 113 S 4.7521 8.9102 116.7166 59.1653 64.0062 172.5111 114 T 4.7311 8.1561 116.8291 61.3327 70.7262 174.5257 115 S 4.2243 8.8851 120.3635 61.1304 62.9567 176.0476 116 K 4.1445 8.7603 118.0625 56.7894 32.7993 176.7251 117 G 4.1639 7.0297 105.3574 43.1807 0.0000 171.6753 118 V 4.0065 7.8276 120.8696 62.8482 32.0738 175.5593 119 L 5.0310 8.7762 126.8790 52.9067 46.6053 176.0486 120 T 4.4892 8.4660 111.9715 61.4274 69.8687 174.9911 121 D 4.3914 8.3719 122.3527 56.9399 39.0499 179.3481 122 R 3.9181 7.8820 118.7576 59.1100 30.4727 178.6384 123 E 4.1638 8.4497 118.1393 59.1997 29.3387 179.3457 124 A 3.9995 8.3230 121.2497 55.4599 18.5431 179.8963 125 R 3.8882 7.8242 116.4394 59.5308 29.8729 178.4123 126 K 3.7225 8.2627 117.9412 60.4418 32.1563 177.4463 127 L 4.3258 8.1124 118.1263 53.9590 42.8210 176.8331 128 G 3.9107 8.0230 106.8104 46.9848 0.0000 174.2588 129 V 4.5138 8.0227 109.9197 59.3237 35.5950 177.3183 130 G 4.0375 8.4357 110.8402 45.0443 0.0000 172.5835 131 G 4.7244 7.7855 103.4331 46.4174 0.0000 171.6200 132 E 5.2859 8.4696 122.2804 55.2680 30.8793 176.8627 133 L 4.1259 8.5657 130.3495 55.8239 42.8074 177.3567 134 I 3.9372 8.7365 128.1909 62.9193 37.5162 175.7846 135 C 5.1413 7.5735 114.5113 57.7748 33.1833 171.6495 136 E 4.9510 8.3978 116.5309 54.8560 33.0777 175.1026 137 V 4.6099 8.8413 120.2380 61.4288 35.5863 174.2076 138 W 5.0196 8.5352 124.3073 57.1321 28.1971 174.3325 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 4.19 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 2 L 8.11 3.21 0.00 1.86 1.70 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.13 3.78 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 4 D 7.79 4.74 0.00 2.72 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 5 P 0.00 4.35 0.00 2.22 2.10 0.00 3.65 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 6 I 7.80 3.74 2.08 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.05 1.00 0.00 0.00 7 A 9.12 3.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.11 4.23 0.00 2.81 2.84 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 9 M 8.08 4.17 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 10 L 7.99 3.88 0.00 1.82 1.64 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.41 3.78 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 1.17 0.00 0.00 12 R 8.72 3.82 0.00 1.88 1.97 0.00 3.26 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.94 0.00 13 I 7.84 3.68 1.93 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.73 0.81 0.00 0.00 14 R 7.86 3.74 0.00 1.77 1.94 0.00 3.00 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 15 N 8.72 4.32 0.00 2.73 2.83 0.00 0.00 7.08 5.87 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 16 A 7.85 4.15 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 17 T 7.88 3.85 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 1.12 0.00 0.00 18 R 7.35 3.81 0.00 1.70 2.00 0.00 3.06 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 19 V 7.41 4.15 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 0.74 0.00 0.00 1.04 0.00 0.00 20 Y 7.90 3.80 0.00 2.96 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 21 K 8.14 4.18 0.00 1.79 1.79 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.38 7.81 22 E 8.68 4.27 0.00 2.06 1.98 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 2.53 2.44 0.00 23 S 7.47 4.87 0.00 3.17 3.37 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 0.00 24 T 8.20 4.53 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 25 D 8.60 5.37 0.00 2.30 2.56 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 26 V 8.16 4.51 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 0.79 0.00 0.00 0.95 0.00 0.00 27 P 0.00 4.29 0.00 1.94 1.92 0.00 3.78 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.39 0.00 28 A 8.50 4.21 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 29 S 8.52 4.35 0.00 3.80 3.67 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 30 R 8.75 3.89 0.00 1.94 2.00 0.00 3.27 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.77 0.00 31 F 8.26 4.13 0.00 3.16 3.03 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 0.00 0.00 0.00 32 K 8.23 3.61 0.00 2.05 1.78 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.61 7.81 33 E 8.22 3.57 0.00 2.21 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 2.24 2.51 0.00 34 E 7.85 3.82 0.00 1.77 1.89 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 2.23 2.46 0.00 35 I 6.85 3.52 1.75 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.52 0.79 0.00 0.00 36 L 7.39 3.85 0.00 1.25 1.45 0.44 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.06 4.36 0.00 2.07 2.11 0.00 3.18 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 38 I 8.13 3.70 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.60 0.95 0.00 0.00 39 L 8.39 4.01 0.00 1.91 1.81 0.70 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 40 A 9.06 4.08 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.20 3.75 0.00 1.83 2.25 0.00 3.30 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 42 E 8.32 4.04 0.00 2.18 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 2.51 2.54 0.00 43 G 8.71 3.97 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 0.00 44 F 7.89 4.54 0.00 3.42 3.02 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 45 I 7.45 4.68 2.08 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.60 0.93 0.00 0.00 46 K 8.61 3.92 0.00 2.08 1.98 0.00 1.92 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.52 1.47 7.81 47 G 7.17 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 48 Y 7.36 6.10 0.00 3.14 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 49 E 8.84 4.92 0.00 2.05 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 2.50 2.43 0.00 50 R 9.07 4.65 0.00 1.77 1.99 0.00 3.35 0.00 0.00 3.30 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.86 0.00 51 V 7.92 4.33 2.17 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 0.70 0.00 0.00 1.11 0.00 0.00 52 D 8.60 4.47 0.00 2.61 2.56 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 53 V 8.73 4.18 2.29 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 0.91 0.00 0.00 0.74 0.00 0.00 54 D 9.92 4.71 0.00 2.83 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 55 G 8.63 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 56 K 8.06 4.42 0.00 2.06 1.44 0.00 1.94 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.57 7.81 57 P 0.00 4.60 0.00 1.94 1.94 0.00 3.36 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 2.04 2.08 0.00 58 Y 8.42 5.10 0.00 2.94 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 59 L 8.98 5.09 0.00 1.56 1.56 0.82 1.06 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 60 R 9.04 4.13 0.00 1.92 1.34 0.00 3.07 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.83 0.00 61 V 7.88 4.80 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 1.00 0.00 0.00 0.97 0.00 0.00 62 Y 9.44 4.54 0.00 2.96 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 63 L 8.70 4.42 0.00 1.67 1.31 1.03 0.69 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 64 K 8.18 4.67 0.00 1.73 1.59 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.47 7.81 65 Y 8.20 4.88 0.00 3.06 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 66 G 9.05 4.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.71 0.00 2.11 2.10 0.00 3.84 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 68 R 8.49 4.02 0.00 1.76 1.85 0.00 3.16 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 69 R 8.18 4.62 0.00 1.87 1.81 0.00 3.35 0.00 0.00 3.36 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.60 0.00 70 Q 8.36 4.24 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.49 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 71 G 8.55 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 72 P 0.00 4.16 0.00 2.05 2.02 0.00 3.83 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 73 D 8.74 4.31 0.00 2.85 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.75 0.00 2.11 2.10 0.00 3.36 0.00 0.00 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 75 R 8.04 3.67 0.00 1.83 1.99 0.00 3.27 0.00 0.00 3.53 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.76 0.00 76 P 0.00 4.50 0.00 2.14 2.00 0.00 3.25 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.44 0.00 77 E 9.19 4.16 0.00 2.21 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 2.50 2.60 0.00 78 Q 8.82 4.68 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.69 0.00 0.00 0.00 0.00 0.00 2.47 2.31 0.00 79 V 8.28 3.83 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 0.85 0.00 0.00 0.93 0.00 0.00 80 I 7.33 4.29 1.72 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 1.31 0.74 0.67 0.00 0.00 81 H 8.41 4.48 0.00 3.00 3.30 0.00 5.90 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 82 H 7.93 4.39 0.00 1.49 1.31 0.00 5.81 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.40 4.73 1.60 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.52 0.71 0.00 0.00 84 R 8.20 4.43 0.00 1.69 1.69 0.00 3.15 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 85 R 8.67 4.36 0.00 1.78 1.79 0.00 3.28 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 86 I 7.85 3.98 2.03 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 1.19 0.99 0.89 0.00 0.00 87 S 8.23 4.13 0.00 3.76 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 88 K 8.22 4.49 0.00 1.86 1.69 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.50 7.81 89 P 0.00 4.19 0.00 2.15 2.15 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 90 G 7.78 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 0.00 0.00 0.00 91 R 7.00 4.44 0.00 1.74 1.72 0.00 3.07 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.42 0.00 92 R 8.31 4.09 0.00 1.60 1.35 0.00 3.54 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 93 V 8.08 4.25 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 0.92 0.00 0.00 0.88 0.00 0.00 94 Y 8.34 5.44 0.00 2.89 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 95 V 8.96 4.68 2.36 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 0.91 0.00 0.00 1.02 0.00 0.00 96 G 9.05 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 0.00 0.00 0.00 97 V 8.34 3.75 1.98 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 0.92 0.00 0.00 0.97 0.00 0.00 98 K 8.09 4.34 0.00 1.78 1.88 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.38 7.81 99 E 8.06 4.93 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.32 0.00 100 I 7.68 4.39 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.91 0.93 0.00 0.00 101 P 0.00 4.28 0.00 2.06 1.99 0.00 3.66 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 2.04 2.12 0.00 102 R 8.19 4.40 0.00 1.73 1.86 0.00 3.24 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 103 V 8.26 3.52 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.04 0.00 0.00 104 R 9.02 3.19 0.00 1.12 1.54 0.00 2.53 0.00 0.00 2.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.09 0.00 105 R 8.66 3.81 0.00 1.82 1.88 0.00 3.35 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 106 G 8.15 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.06 4.04 0.00 1.75 1.80 0.92 0.86 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 0.00 108 G 7.76 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 0.00 0.00 0.00 109 I 8.89 4.93 2.11 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 1.23 1.80 1.07 0.00 0.00 110 A 8.47 5.21 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 0.00 111 I 8.08 4.31 1.85 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 1.44 0.95 0.90 0.00 0.00 112 L 8.37 4.71 0.00 2.08 1.79 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.91 4.75 0.00 4.23 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 0.00 114 T 8.16 4.73 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 1.35 0.00 0.00 115 S 8.89 4.22 0.00 3.91 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 0.00 116 K 8.76 4.14 0.00 1.76 1.88 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.38 7.81 117 G 7.03 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 0.00 118 V 7.83 4.01 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 0.77 0.00 0.00 0.86 0.00 0.00 119 L 8.78 5.03 0.00 1.62 1.49 0.94 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.47 4.49 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 1.40 0.00 0.00 121 D 8.37 4.39 0.00 2.93 3.02 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 0.00 122 R 7.88 3.92 0.00 1.90 2.03 0.00 3.16 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 123 E 8.45 4.16 0.00 2.11 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 2.35 2.36 0.00 124 A 8.32 4.00 1.43 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 0.00 0.00 0.00 125 R 7.82 3.89 0.00 1.98 2.00 0.00 3.17 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 126 K 8.26 3.72 0.00 1.85 1.96 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.53 7.81 127 L 8.11 4.33 0.00 1.71 1.70 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 128 G 8.02 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 0.00 0.00 0.00 129 V 8.02 4.51 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 0.71 0.00 0.00 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