NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7675 8.3501 109.7347 44.0402 0.0000 173.8650 2 A 3.8926 8.0460 122.6426 50.1777 17.5146 175.9647 3 L 3.9040 8.0875 115.1951 56.0325 39.7214 172.7211 4 T 4.2429 7.6871 112.9758 60.6942 71.6155 175.1066 5 E 3.9602 8.6425 121.2999 59.2497 29.3599 178.9361 6 S 4.1111 7.9412 114.0518 61.5331 63.3604 176.1205 7 Q 3.9578 8.2688 121.8662 58.7377 28.4569 178.9975 8 A 4.0133 8.1618 121.2577 54.7117 18.3180 179.4776 9 A 4.0099 7.8678 119.3393 55.2816 18.4458 179.9150 10 L 4.0191 7.6904 117.5001 57.9243 41.6599 179.7944 11 V 3.6157 7.8974 118.2864 65.6760 31.3713 178.0511 12 K 4.2920 8.3633 119.4717 59.6764 32.2331 178.5762 13 S 4.1962 7.9729 113.8432 61.6918 62.3021 176.3933 14 S 4.4259 8.3937 116.3800 60.9163 62.9634 176.1888 15 W 4.4270 9.1221 132.9508 60.4220 30.1508 177.8996 16 E 3.4774 8.2229 117.9772 59.1090 29.1928 178.6039 17 E 4.0373 8.1434 118.5549 59.4935 29.5615 179.1183 18 F 3.9650 8.2567 120.5457 61.1891 39.1175 176.2335 19 N 4.0621 7.2755 113.5785 54.8537 38.8598 176.2403 20 A 3.9855 7.1735 120.8472 54.2751 19.5649 177.0410 21 N 4.6979 7.6442 116.4210 50.7267 39.6248 175.1488 22 I 3.2398 7.5893 123.4541 64.4810 37.4069 176.3845 23 P 4.2614 0.0000 0.0000 64.8580 31.1543 178.7374 24 K 3.9105 7.6093 118.2933 59.8155 32.3505 178.5506 25 H 4.3230 7.9741 116.9082 58.8406 28.3502 177.9358 26 T 4.1990 7.9171 111.8290 64.9279 68.7372 176.3698 27 H 4.4397 8.1469 121.0970 58.9628 29.8258 177.2610 28 R 3.9133 8.2497 120.7852 59.0867 29.8873 178.0581 29 F 4.1314 8.3926 120.5654 61.6300 39.5279 177.1787 30 F 3.6674 7.8252 117.0437 60.4070 38.5472 177.7815 31 I 3.6929 7.8050 119.4862 64.3731 36.7488 178.4792 32 L 3.9346 8.0431 119.9041 57.2172 41.2970 179.7775 33 V 3.4230 7.4738 118.5560 66.0196 31.3075 178.1882 34 L 4.2156 7.7279 116.8636 57.4160 41.4738 178.9875 35 E 4.0996 8.2267 118.6779 59.0879 29.3914 178.9653 36 I 4.1303 7.3250 118.9408 62.7807 38.7682 176.7820 37 A 4.6308 8.1308 123.9153 48.3550 19.7127 174.0775 38 P 4.2629 0.0000 0.0000 65.7022 31.1767 177.6604 39 A 4.0621 8.1503 118.2993 54.8269 18.2288 178.8805 40 A 4.1255 8.1073 118.9630 54.1514 18.4418 179.3797 41 K 3.9907 8.1835 118.9052 59.6397 32.0702 178.3860 42 D 4.4557 7.6113 116.8811 56.8472 40.7148 178.3242 43 L 4.1187 7.6089 118.9499 55.2106 41.7280 176.6801 44 F 4.4618 7.4935 118.4021 55.0246 38.6390 176.2110 45 S 3.9041 8.5531 121.8128 61.1737 62.5760 175.9651 46 F 4.0507 7.2874 112.5312 57.0191 38.6006 175.8580 47 L 4.3332 7.9594 122.3222 55.9390 42.5255 177.0520 48 K 4.2186 7.1163 118.1006 57.5873 32.1809 177.2619 49 G 3.9774 8.9840 112.9443 45.4789 0.0000 173.5728 50 T 4.2554 7.2405 108.9280 61.3901 69.8318 174.1033 51 S 4.4904 8.5433 115.1685 58.8548 63.8176 173.5647 52 E 4.6502 7.6928 117.0424 53.8038 32.0243 175.4661 53 V 3.7346 8.1708 120.5236 61.7605 31.6740 174.0605 54 P 4.3477 0.0000 0.0000 63.5799 31.3894 176.1373 55 Q 4.3301 8.5577 118.9607 56.8420 29.9556 175.4943 56 N 5.1728 7.7853 114.2870 52.0200 39.6616 174.3980 57 N 4.8208 7.8574 116.6183 51.5378 41.4286 172.2507 58 P 4.3359 0.0000 0.0000 65.4317 31.6823 178.5803 59 E 3.8740 8.0650 118.5152 59.2086 29.4660 178.5745 60 L 2.9097 7.4066 119.9121 57.9880 42.0654 179.0856 61 Q 4.0325 8.0215 117.7553 58.8765 28.4332 178.6237 62 A 4.0902 7.8920 121.4663 55.3502 18.2055 178.9494 63 H 4.1616 8.1111 113.7053 59.4974 29.1148 177.4799 64 A 4.3183 8.7368 122.3442 54.9770 18.4210 179.5874 65 G 4.0442 8.3589 104.4611 48.4606 0.0000 176.0154 66 K 4.2000 8.0219 120.9433 58.8199 31.8829 179.4310 67 V 3.6367 7.7066 118.3318 66.4543 31.3775 178.2966 68 F 4.0954 8.4648 116.6038 60.0800 38.6769 177.5020 69 K 4.0076 8.3760 119.2574 59.6377 31.9404 178.8851 70 L 3.9863 7.8416 119.3196 57.7221 41.4885 179.7365 71 V 3.5505 7.6415 118.3311 65.8432 31.3371 177.4485 72 Y 3.5603 8.0887 119.4417 60.6305 38.6745 178.0058 73 E 3.0764 7.7574 119.1466 58.9303 29.3784 179.0748 74 A 3.7864 7.4569 120.6962 55.0556 18.3771 179.4209 75 A 3.7055 7.2425 118.5946 55.4596 18.3144 180.0046 76 I 3.5799 6.9733 118.2590 64.2062 37.1253 178.4743 77 Q 3.8109 7.6443 120.1825 58.9423 28.7532 178.0724 78 L 4.0189 7.9884 120.4885 57.6102 41.3547 179.1785 79 E 3.9632 7.8481 118.5134 59.2762 29.6975 178.7626 80 V 3.7304 7.8021 117.4832 65.3714 31.7444 177.1581 81 T 4.4070 8.0791 107.0804 61.1011 70.1792 175.4841 82 G 3.9308 8.8700 109.8198 44.9223 0.0000 172.8363 83 V 4.3357 7.0708 110.8642 59.5601 35.5625 174.9372 84 V 3.9508 7.9339 120.3427 61.0115 31.2344 175.3643 85 V 3.5528 8.0848 128.2563 62.9357 31.4811 176.0410 86 T 4.1687 8.3778 125.3884 62.9632 67.8742 173.3910 87 D 4.9704 7.9857 129.0198 51.7032 42.3932 176.6533 88 A 4.0099 8.5760 118.8665 56.0694 18.2832 179.9690 89 T 3.8286 7.8876 113.7207 67.0085 68.3872 176.6893 90 L 4.0773 7.5116 119.4788 57.5464 41.8995 179.4058 91 K 4.1533 7.9925 118.2604 59.2415 32.0664 178.8006 92 N 4.3344 8.3728 117.4430 56.7556 38.8008 176.8723 93 L 4.2133 8.1924 120.5618 57.7068 41.5482 179.6915 94 G 3.7281 8.0946 105.6972 47.4349 0.0000 175.9169 95 S 4.1636 7.9816 115.4127 61.3264 62.6426 176.4437 96 V 3.6984 8.0060 121.9174 65.0466 31.1363 178.1288 97 H 4.1508 8.1254 116.5886 58.6503 28.4899 177.9294 98 V 3.6620 7.7325 120.3348 65.8489 31.1103 178.0079 99 S 4.1570 7.7588 114.1399 61.6647 62.8222 176.1753 100 K 4.3167 7.6163 116.9779 56.0890 31.8506 177.8274 101 G 3.8653 7.9134 107.3732 45.6321 0.0000 174.1799 102 V 3.6110 7.7803 119.2568 62.2451 32.1702 175.0839 103 A 4.9905 8.7094 128.0764 49.9544 22.2542 176.6477 104 D 4.7779 8.7032 117.9442 57.4574 40.9209 178.5570 105 A 4.4012 7.9620 119.5525 53.6320 19.2767 178.5029 106 H 4.4449 8.3901 114.3151 58.4879 28.6450 177.3567 107 F 3.9693 8.3456 119.7252 60.4986 38.8173 176.1102 108 P 4.3164 0.0000 0.0000 65.1906 31.2546 178.3450 109 V 3.5501 7.6122 117.3847 66.1792 31.4072 178.2049 110 V 3.6537 7.6229 117.3920 65.5221 31.4219 178.1413 111 K 2.8004 8.0025 119.9854 59.1678 31.9112 178.7753 112 E 3.9031 8.1859 118.6105 59.0765 29.3927 179.1945 113 A 3.9475 7.8043 120.6731 55.1381 18.3895 179.6435 114 I 3.9675 7.8629 118.2061 63.9316 37.1438 178.5100 115 L 3.9739 8.1645 120.5169 57.3801 41.6732 179.4554 116 K 3.9476 8.3738 118.9341 59.4297 31.9456 179.5276 117 T 3.9087 7.8752 115.9147 66.9756 68.4783 176.8211 118 I 3.8493 7.8272 121.3943 63.7561 37.1052 178.4508 119 K 3.9986 8.1869 121.0424 59.3370 31.7078 178.8046 120 E 3.9292 7.7228 117.9044 59.0916 29.4930 178.9077 121 V 3.6501 7.9786 117.6153 65.8744 31.6524 177.7958 122 V 4.4113 7.9194 111.8035 59.0991 32.5255 177.8171 123 G 3.8666 8.5875 108.0463 46.3021 0.0000 177.0743 124 A 4.2340 8.7741 127.2173 54.0261 18.1717 178.6133 125 K 4.3116 7.5961 112.7058 56.6817 32.4831 177.3114 126 W 4.2955 8.0608 130.5155 57.1945 31.4028 175.6050 127 S 4.5381 7.2979 118.5293 55.5695 67.1257 175.1373 128 E 3.4508 8.1534 121.6109 59.3686 29.3152 178.8738 129 E 3.9198 8.0125 120.2024 58.6093 29.5117 178.6596 130 L 3.9661 7.6518 120.0143 58.1759 42.2715 178.4728 131 N 4.5700 7.8011 117.1618 56.3052 38.5448 176.9948 132 S 4.2500 7.9420 115.7782 60.9385 63.2900 176.3160 133 A 3.9857 8.0023 124.3611 54.9532 18.1192 179.7581 134 W 4.1500 8.5569 117.1828 59.8309 29.0909 179.1208 135 T 4.0922 8.0727 115.7814 66.5358 67.9572 176.7982 136 I 3.6935 7.8002 121.3599 64.4849 37.1638 178.1676 137 A 3.9147 8.1301 121.5242 55.4518 18.0346 179.1356 138 Y 3.9091 8.4610 118.0653 60.9199 38.8740 177.7777 139 D 4.4566 8.4108 119.8718 57.5040 40.8658 178.6118 140 E 3.9309 8.2905 119.1226 59.3059 29.3698 179.2312 141 L 3.9278 8.0648 120.3139 57.8339 42.0693 178.7148 142 A 3.7837 7.9818 120.8610 54.4398 18.2085 179.5608 143 I 3.4747 7.5485 118.8215 64.3805 37.0582 178.7449 144 V 3.4832 7.1694 117.5030 66.1827 31.3979 178.2393 145 I 3.6741 7.7470 119.6115 64.2207 36.9690 178.6301 146 K 3.6913 7.8871 119.5576 58.9520 31.6612 179.1969 147 K 3.8194 7.5155 119.9226 59.7730 31.9769 178.8554 148 E 4.0427 8.0090 117.1097 59.3910 29.5107 178.9975 149 M 4.4320 8.4343 119.6195 58.4705 31.5696 178.4468 150 D 4.3632 8.0115 118.5791 57.2765 40.7253 178.3804 151 D 4.1212 7.8021 118.0407 56.3364 40.9369 177.5607 152 A 4.3511 7.9536 119.2953 52.4530 19.1723 176.9577 153 A 4.2205 7.3496 125.0429 52.1241 19.0253 177.1396 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 G 8.35 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 0.00 0.00 0.00 2 A 8.05 3.89 1.42 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 0.00 0.00 3 L 8.09 3.90 0.00 1.64 1.97 0.87 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 4 T 7.69 4.24 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 1.29 0.00 0.00 5 E 8.64 3.96 0.00 2.04 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 2.37 2.36 0.00 6 S 7.94 4.11 0.00 4.08 4.09 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 7 Q 8.27 3.96 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 8 A 8.16 4.01 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 9 A 7.87 4.01 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 10 L 7.69 4.02 0.00 1.84 1.77 0.90 1.24 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 11 V 7.90 3.62 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 0.56 0.00 0.00 0.57 0.00 0.00 12 K 8.36 4.29 0.00 2.10 1.94 0.00 1.90 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.79 1.78 7.81 13 S 7.97 4.20 0.00 4.04 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 14 S 8.39 4.43 0.00 4.45 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 0.00 15 W 9.12 4.43 0.00 3.75 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 16 E 8.22 3.48 0.00 2.20 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 17 E 8.14 4.04 0.00 2.30 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 2.34 2.51 0.00 18 F 8.26 3.97 0.00 2.91 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 19 N 7.28 4.06 0.00 1.86 2.31 0.00 0.00 7.22 7.98 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 20 A 7.17 3.99 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 21 N 7.64 4.70 0.00 2.45 2.01 0.00 0.00 6.99 7.32 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 22 I 7.59 3.24 1.71 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.85 0.85 0.00 0.00 23 P 0.00 4.26 0.00 2.07 2.18 0.00 3.42 0.00 0.00 3.56 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 24 K 7.61 3.91 0.00 1.64 1.58 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.46 7.81 25 H 7.97 4.32 0.00 2.22 2.98 0.00 5.67 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 26 T 7.92 4.20 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 27 H 8.15 4.44 0.00 3.37 3.48 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.25 3.91 0.00 2.14 2.21 0.00 3.22 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.73 0.00 29 F 8.39 4.13 0.00 3.58 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 30 F 7.83 3.67 0.00 3.12 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 31 I 7.80 3.69 2.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.90 0.88 0.00 0.00 32 L 8.04 3.93 0.00 1.70 1.61 0.98 0.87 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 33 V 7.47 3.42 1.97 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 1.12 0.00 0.00 0.10 0.00 0.00 34 L 7.73 4.22 0.00 1.65 1.72 1.03 0.77 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 35 E 8.23 4.10 0.00 2.03 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 2.32 2.58 0.00 36 I 7.33 4.13 2.01 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.51 0.89 0.00 0.00 37 A 8.13 4.63 1.24 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 38 P 0.00 4.26 0.00 2.10 2.15 0.00 3.88 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.06 0.00 39 A 8.15 4.06 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.11 4.13 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.18 3.99 0.00 1.97 1.84 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.49 7.81 42 D 7.61 4.46 0.00 2.68 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 43 L 7.61 4.12 0.00 0.96 1.11 0.61 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 44 F 7.49 4.46 0.00 2.50 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.55 3.90 0.00 4.02 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 46 F 7.29 4.05 0.00 3.02 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 7.96 4.33 0.00 1.84 1.66 0.58 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.12 4.22 0.00 1.75 1.73 0.00 1.66 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.52 7.81 49 G 8.98 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 50 T 7.24 4.26 4.35 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 0.00 0.00 0.00 1.26 0.00 0.00 51 S 8.54 4.49 0.00 3.83 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 52 E 7.69 4.65 0.00 1.98 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 0.00 2.22 2.26 0.00 53 V 8.17 3.73 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 0.92 0.00 0.00 54 P 0.00 4.35 0.00 2.21 2.07 0.00 3.81 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 2.02 2.05 0.00 55 Q 8.56 4.33 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.53 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 56 N 7.79 5.17 0.00 2.60 2.71 0.00 0.00 6.75 8.00 0.00 0.00 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 N 7.86 4.82 0.00 2.71 2.57 0.00 0.00 6.82 7.71 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 58 P 0.00 4.34 0.00 2.28 2.26 0.00 3.71 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 59 E 8.07 3.87 0.00 2.14 1.64 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 2.43 2.36 0.00 60 L 7.41 2.91 0.00 1.19 1.63 0.67 0.82 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 61 Q 8.02 4.03 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 62 A 7.89 4.09 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 63 H 8.11 4.16 0.00 3.25 3.56 0.00 5.67 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.74 4.32 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.36 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 66 K 8.02 4.20 0.00 2.06 1.96 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.67 7.81 67 V 7.71 3.64 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 0.82 0.00 0.00 1.05 0.00 0.00 68 F 8.46 4.10 0.00 2.79 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.38 4.01 0.00 2.29 1.93 0.00 1.78 0.00 0.00 1.88 0.00 0.00 3.04 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.43 1.83 7.81 70 L 7.84 3.99 0.00 1.86 1.68 0.96 0.88 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 71 V 7.64 3.55 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 1.25 0.00 0.00 0.98 0.00 0.00 72 Y 8.09 3.56 0.00 2.62 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 73 E 7.76 3.08 0.00 1.96 1.73 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 1.99 2.17 0.00 74 A 7.46 3.79 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.24 3.71 0.98 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 76 I 6.97 3.58 1.58 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.18 0.75 0.00 0.00 77 Q 7.64 3.81 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.29 0.00 78 L 7.99 4.02 0.00 1.78 1.62 0.86 0.90 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 79 E 7.85 3.96 0.00 1.89 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 80 V 7.80 3.73 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 0.86 0.00 0.00 0.91 0.00 0.00 81 T 8.08 4.41 4.19 0.00 0.00 0.00 0.00 0.00 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 82 G 8.87 3.93 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 0.00 0.00 0.00 83 V 7.07 4.34 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 0.66 0.00 0.00 0.88 0.00 0.00 84 V 7.93 3.95 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 0.69 0.00 0.00 0.82 0.00 0.00 85 V 8.08 3.55 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 0.81 0.00 0.00 0.90 0.00 0.00 86 T 8.38 4.17 4.21 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 0.00 0.00 0.00 1.24 0.00 0.00 87 D 7.99 4.97 0.00 2.79 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 88 A 8.58 4.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 7.89 3.83 4.48 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 1.23 0.00 0.00 90 L 7.51 4.08 0.00 1.55 1.71 0.92 0.89 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 91 K 7.99 4.15 0.00 1.97 1.85 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.76 7.81 92 N 8.37 4.33 0.00 2.85 2.84 0.00 0.00 7.21 6.27 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 93 L 8.19 4.21 0.00 2.01 1.85 0.98 0.88 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 94 G 8.09 3.73 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 0.00 0.00 0.00 95 S 7.98 4.16 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 96 V 8.01 3.70 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 0.81 0.00 0.00 0.91 0.00 0.00 97 H 8.13 4.15 0.00 3.37 3.49 0.00 5.81 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.73 3.66 2.26 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 1.05 0.00 0.00 1.04 0.00 0.00 99 S 7.76 4.16 0.00 4.04 3.93 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 0.00 100 K 7.62 4.32 0.00 1.74 1.67 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.62 1.54 7.81 101 G 7.91 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 0.00 102 V 7.78 3.61 2.28 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 0.75 0.00 0.00 0.82 0.00 0.00 103 A 8.71 4.99 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 0.00 104 D 8.70 4.78 0.00 2.82 2.79 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 0.00 0.00 0.00 0.00 105 A 7.96 4.40 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 0.00 106 H 8.39 4.44 0.00 3.45 3.18 0.00 5.84 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 0.00 107 F 8.35 3.97 0.00 3.45 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.32 0.00 2.19 2.14 0.00 3.91 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 109 V 7.61 3.55 2.23 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 0.98 0.00 0.00 0.98 0.00 0.00 110 V 7.62 3.65 2.14 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 1.22 0.00 0.00 0.98 0.00 0.00 111 K 8.00 2.80 0.00 1.04 1.69 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.26 1.08 7.81 112 E 8.19 3.90 0.00 2.04 1.93 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 2.48 2.44 0.00 113 A 7.80 3.95 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 0.00 114 I 7.86 3.97 1.72 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.54 0.64 0.00 0.00 115 L 8.16 3.97 0.00 1.65 1.74 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 116 K 8.37 3.95 0.00 1.83 1.81 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.57 7.81 117 T 7.88 3.91 4.67 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 1.32 0.00 0.00 118 I 7.83 3.85 1.64 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 1.03 -0.36 0.71 0.00 0.00 119 K 8.19 4.00 0.00 1.78 1.75 0.00 1.28 0.00 0.00 1.04 0.00 0.00 2.13 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.96 0.31 7.81 120 E 7.72 3.93 0.00 2.16 1.97 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 2.29 2.53 0.00 121 V 7.98 3.65 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 0.83 0.00 0.00 0.70 0.00 0.00 122 V 7.92 4.41 2.22 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 1.23 0.00 0.00 1.26 0.00 0.00 123 G 8.59 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 0.00 124 A 8.77 4.23 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 K 7.60 4.31 0.00 2.06 1.94 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.43 7.81 126 W 8.06 4.30 0.00 3.48 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 0.00 127 S 7.30 4.54 0.00 3.87 3.79 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 0.00 0.00 0.00 0.00 128 E 8.15 3.45 0.00 1.93 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 2.38 2.30 0.00 129 E 8.01 3.92 0.00 2.00 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 2.35 2.27 0.00 130 L 7.65 3.97 0.00 1.72 1.50 1.21 0.52 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 0.00 131 N 7.80 4.57 0.00 2.69 2.83 0.00 0.00 7.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 S 7.94 4.25 0.00 4.12 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 0.00 133 A 8.00 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 0.00 134 W 8.56 4.15 0.00 3.49 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 T 8.07 4.09 4.54 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 1.34 0.00 0.00 136 I 7.80 3.69 1.96 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 1.47 1.02 0.89 0.00 0.00 137 A 8.13 3.91 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 Y 8.46 3.91 0.00 3.16 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 0.00 139 D 8.41 4.46 0.00 3.02 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 0.00 140 E 8.29 3.93 0.00 1.92 1.93 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 2.54 2.42 0.00 141 L 8.06 3.93 0.00 1.60 1.55 0.82 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.98 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 I 7.55 3.47 1.97 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 1.35 1.10 0.84 0.00 0.00 144 V 7.17 3.48 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 1.05 0.00 0.00 0.91 0.00 0.00 145 I 7.75 3.67 1.79 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.46 0.99 0.00 0.00 146 K 7.89 3.69 0.00 1.58 1.60 0.00 0.61 0.00 0.00 1.12 0.00 0.00 2.67 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.29 0.21 7.81 147 K 7.52 3.82 0.00 1.82 1.87 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.44 7.81 148 E 8.01 4.04 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 149 M 8.43 4.43 0.00 2.09 2.27 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.70 0.00 150 D 8.01 4.36 0.00 2.82 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 0.00 151 D 7.80 4.12 0.00 2.66 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 0.00 152 A 7.95 4.35 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 0.00 153 A 7.35 4.22 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