NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.4433 8.2549 117.2743 56.4637 32.4563 174.3706 3 H 4.3175 8.1311 114.3494 55.1061 28.7150 176.2769 4 L 4.0704 8.7412 128.5563 58.2938 40.4058 174.3630 5 K 4.4056 7.7785 118.3016 56.6844 33.2605 177.1866 6 S 4.6419 7.4121 112.9008 56.5697 65.6331 175.3451 7 G 3.8558 8.1968 114.4100 46.3666 0.0000 170.7192 8 R 4.1522 8.9214 122.3637 56.5135 26.2605 175.9181 9 K 4.2861 8.1574 120.8491 56.5225 33.8725 177.3892 10 L 4.7298 8.4188 119.6516 53.5448 44.6686 174.2448 11 N 4.7724 10.1015 113.8607 53.1230 40.2252 177.0219 12 R 3.8655 8.2981 119.9418 56.7187 27.7514 173.4943 13 H 5.1055 8.2894 116.9198 54.2003 31.0874 173.1394 14 S 4.0961 8.4048 114.5033 59.9295 61.7156 175.5503 15 S 4.3500 7.0454 117.5830 62.2700 62.9561 176.2801 16 H 4.3231 7.9224 119.5134 57.9424 29.9561 176.7875 17 R 3.9401 8.9702 121.5023 59.0509 30.1757 177.5213 18 L 3.4788 7.8692 119.4403 58.4100 41.9284 178.8408 19 A 4.1662 8.1610 119.5837 54.2791 17.9761 178.6481 20 L 4.0918 8.0586 118.4434 56.8973 41.9709 177.7411 21 Y 3.7794 7.8499 115.7647 60.7139 38.2712 178.0062 22 R 4.3179 7.8763 117.7747 58.7408 30.1231 178.4669 23 N 4.2674 8.6703 117.2050 55.6585 38.3076 177.2839 24 Q 3.9740 7.6477 118.9944 58.7201 29.1805 177.9678 25 A 4.0971 8.4301 122.0966 55.8507 18.0266 179.2671 26 K 4.0292 7.5820 116.2527 58.9785 32.3320 178.9285 27 S 4.1944 8.4254 116.7440 62.5914 63.1651 176.2470 28 L 4.3400 9.2734 123.9309 56.2587 42.4272 175.7434 29 L 4.3591 8.0342 128.8183 55.1582 40.9109 176.8637 30 T 5.0339 7.2182 130.2399 62.8547 66.8949 172.3900 31 H 4.7311 8.9275 117.4201 56.8463 30.9390 174.6022 32 G 4.3119 8.3396 111.4189 45.6389 0.0000 173.5692 33 R 4.6733 7.5472 123.1325 55.3674 29.4054 175.5563 34 I 4.6997 8.6282 124.2099 59.6440 41.5903 175.3028 35 T 5.0566 8.7181 120.8726 61.6546 71.4646 172.8685 36 T 4.8168 8.2320 116.1638 59.0733 72.9889 173.4857 37 T 4.1520 8.3426 111.5972 61.4900 68.8354 174.0417 38 V 3.5064 7.9094 119.6689 66.2510 31.2308 175.8671 39 P 4.1451 0.0000 0.0000 65.6675 31.2709 178.3297 40 K 3.7322 7.5600 117.5151 60.4813 32.2800 177.7912 41 A 4.0482 8.4365 121.4162 54.3434 18.0364 179.6546 42 K 3.5957 9.1814 111.0263 59.3500 32.3681 177.8540 43 E 3.9317 8.1151 123.4888 59.2112 30.0020 178.4776 44 L 4.1179 8.2506 118.9282 54.4800 42.7603 178.4930 45 R 4.3347 10.6400 114.5878 58.6114 28.9876 180.1951 46 G 3.7461 8.6646 104.4182 46.2206 0.0000 174.7482 47 F 4.1886 8.3904 123.3753 61.0362 39.7571 177.6204 48 V 3.7366 8.6251 118.6171 64.6470 31.1924 178.0808 49 D 4.4173 8.0342 119.2889 57.2709 40.5822 177.0476 50 H 4.7330 8.2751 115.8342 56.7873 29.9362 175.9426 51 L 4.0125 7.4441 121.0011 57.6510 42.3604 177.7238 52 I 4.1527 7.5023 119.1064 62.7171 37.2266 177.3122 53 H 4.4721 8.4298 119.2325 58.6639 29.8927 176.3454 54 L 4.1153 7.8649 116.8185 55.7943 42.2465 178.1289 55 A 4.6791 8.4039 121.0291 54.7872 18.4768 179.0257 56 K 3.7350 8.0291 114.8624 59.2030 31.8070 178.2933 57 R 4.0277 9.1979 118.3221 58.8823 31.0868 178.7035 58 G 3.1026 8.1078 108.9631 45.3521 0.0000 174.4726 59 D 4.7367 8.2801 119.4398 52.0406 42.0323 179.4655 60 L 3.4764 7.6150 124.5663 57.6052 44.2705 177.9895 61 H 4.1246 8.3783 116.8842 59.2996 29.6221 176.8955 62 A 4.1167 8.6750 121.5722 55.7356 18.3455 178.5576 63 R 4.0757 7.9328 115.7634 59.9702 29.4979 178.7407 64 R 3.8416 8.0659 117.4298 59.7853 30.4670 178.5721 65 L 3.6955 7.7954 118.3777 57.0902 42.3063 178.1489 66 V 4.0490 8.2643 117.6419 65.1060 32.3237 177.4191 67 L 4.5752 6.9610 117.9506 57.5274 41.5377 178.6657 68 R 3.8090 7.7725 116.5273 59.5559 29.8472 177.5058 69 D 4.4723 7.8988 121.0825 57.6937 41.7688 177.7565 70 L 4.2003 7.7050 124.0469 54.2829 40.7841 177.3156 71 Q 4.2100 8.5643 124.6296 56.8378 29.5131 175.0912 72 D 4.8115 7.6987 117.5207 53.2519 42.4766 176.3943 73 V 3.6412 8.4801 124.4088 65.9818 32.3383 176.6132 74 K 4.6806 7.7131 119.9670 54.4066 30.7401 175.3295 75 L 4.4216 7.1438 119.0826 55.8086 48.4594 175.7126 76 V 3.6186 7.8652 118.7915 64.2928 31.8532 178.0564 77 R 3.8973 7.7835 119.5139 59.1810 30.1200 178.5179 78 K 4.0985 7.9753 114.1339 57.4020 32.4369 176.0900 79 L 4.5060 8.5198 118.2265 56.6558 43.8305 178.6754 80 F 4.5305 8.5511 116.1293 60.6372 38.8498 176.2053 81 D 4.9481 8.0240 117.7663 54.0429 40.5779 176.6395 82 E 4.8054 7.4986 117.7552 57.8696 37.4300 176.6054 83 I 3.8448 7.5413 120.4513 63.1510 37.8162 177.4929 84 A 4.1560 7.7933 124.2916 54.5033 18.7287 177.6320 85 P 4.2251 0.0000 0.0000 66.9566 31.7554 179.6462 86 R 3.6063 6.8985 114.9111 58.8068 31.4854 176.4470 87 Y 3.8489 7.1700 114.3717 57.4710 36.1652 175.6917 88 R 4.0459 8.9936 127.4216 58.5008 30.5820 176.2457 89 D 4.3764 7.8380 116.7372 56.5077 41.2425 176.6670 90 R 4.2340 7.8080 118.7699 55.7069 28.9273 175.5662 91 Q 4.5632 8.3819 125.6143 54.9336 27.9085 175.3801 92 G 3.5052 9.0865 109.8591 46.5240 0.0000 171.5267 93 G 3.4995 7.9283 109.7772 46.2066 0.0000 172.7168 94 Y 4.5585 7.2149 110.3372 57.8653 38.4686 175.8822 95 T 4.6568 7.2068 111.9626 61.4080 70.3482 172.1723 96 R 4.7628 8.4388 125.2283 54.5424 34.0812 174.6762 97 V 5.3351 8.1355 121.9520 60.6057 34.0902 174.2473 98 L 4.9834 8.3289 127.6907 52.6174 45.5469 175.8297 99 K 4.5595 8.7014 122.4986 56.4291 34.0712 176.5186 100 L 4.7089 7.7477 123.4005 53.4445 44.3398 174.8327 101 A 4.6250 8.2418 121.5708 51.6177 21.7373 174.0801 102 E 3.7136 7.7839 121.0720 56.4749 26.9619 176.3713 103 R 2.9977 7.4982 114.5059 56.2421 31.0097 178.3053 104 R 4.1677 8.8179 125.4052 56.1862 32.9211 172.2893 105 R 3.9168 8.8262 125.8109 59.9465 29.0274 174.8671 106 G 3.5997 7.7439 117.6537 45.5079 0.0000 172.2876 107 D 4.5494 7.9410 120.2011 55.4786 39.9824 176.2363 108 G 3.6861 7.6839 105.0578 47.7811 0.0000 175.3089 109 A 4.6183 7.7885 125.0071 49.2771 20.8135 175.7805 110 P 4.5371 0.0000 0.0000 62.8577 32.1580 175.1238 111 L 4.8469 7.9530 117.7581 54.5340 46.6602 173.3741 112 A 4.7399 8.4071 119.1038 51.7431 22.5525 175.1355 113 L 5.0050 9.2776 115.7508 53.4856 45.9198 176.6264 114 V 5.5293 8.4771 112.8376 59.5478 36.4717 173.9501 115 E 5.7715 8.3461 120.5177 54.1053 33.1045 175.8244 116 L 4.2219 9.0275 124.7985 55.6949 42.0197 177.3777 117 V 3.1429 7.4576 119.5498 61.5958 32.4838 172.6607 118 E 4.8239 8.4970 118.5004 57.3241 29.6431 175.9945 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 2 R 8.25 4.44 0.00 1.91 2.00 0.00 2.99 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.71 0.00 3 H 8.13 4.32 0.00 3.27 2.37 0.00 5.62 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.74 4.07 0.00 1.67 1.96 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 5 K 7.78 4.41 0.00 1.81 1.83 0.00 1.67 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.40 7.81 6 S 7.41 4.64 0.00 3.80 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 7 G 8.20 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.92 4.15 0.00 1.98 2.09 0.00 3.32 0.00 0.00 2.25 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 9 K 8.16 4.29 0.00 1.87 1.82 0.00 1.52 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.49 7.81 10 L 8.42 4.73 0.00 1.58 1.59 0.88 1.01 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 11 N 10.10 4.77 0.00 2.75 2.95 0.00 0.00 6.89 7.65 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 12 R 8.30 3.87 0.00 1.93 1.86 0.00 3.03 0.00 0.00 2.72 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 13 H 8.29 5.11 0.00 3.16 3.34 0.00 5.73 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.40 4.10 0.00 3.92 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 15 S 7.05 4.35 0.00 4.26 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 0.00 16 H 7.92 4.32 0.00 2.93 2.53 0.00 5.92 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.97 3.94 0.00 2.14 1.93 0.00 3.04 0.00 0.00 3.07 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 18 L 7.87 3.48 0.00 1.54 1.85 0.99 1.16 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 19 A 8.16 4.17 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 20 L 8.06 4.09 0.00 1.74 2.05 0.81 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.85 3.78 0.00 2.42 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 22 R 7.88 4.32 0.00 1.94 2.22 0.00 3.19 0.00 0.00 3.58 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.87 0.00 23 N 8.67 4.27 0.00 2.87 2.85 0.00 0.00 6.83 7.45 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 24 Q 7.65 3.97 0.00 1.87 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.30 2.55 0.00 25 A 8.43 4.10 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.58 4.03 0.00 1.86 1.82 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.59 7.81 27 S 8.43 4.19 0.00 3.92 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 28 L 9.27 4.34 0.00 1.73 1.66 0.93 0.50 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 29 L 8.03 4.36 0.00 1.89 1.56 0.92 0.99 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 30 T 7.22 5.03 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 0.98 0.00 0.00 31 H 8.93 4.73 0.00 3.13 3.26 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.34 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 0.00 0.00 0.00 0.00 33 R 7.55 4.67 0.00 1.73 1.94 0.00 3.16 0.00 0.00 3.23 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 34 I 8.63 4.70 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 1.42 1.34 0.91 0.00 0.00 35 T 8.72 5.06 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 36 T 8.23 4.82 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 1.18 0.00 0.00 37 T 8.34 4.15 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 1.19 0.00 0.00 38 V 7.91 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 0.90 0.00 0.00 0.91 0.00 0.00 39 P 0.00 4.15 0.00 2.17 2.05 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 40 K 7.56 3.73 0.00 1.78 1.82 0.00 1.72 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.35 7.81 41 A 8.44 4.05 1.37 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 0.00 0.00 42 K 9.18 3.60 0.00 1.90 1.71 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.67 7.81 43 E 8.12 3.93 0.00 2.12 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 2.45 2.64 0.00 44 L 8.25 4.12 0.00 1.82 1.73 1.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 45 R 10.64 4.33 0.00 2.09 1.71 0.00 2.86 0.00 0.00 3.17 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 46 G 8.66 3.75 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 0.00 0.00 0.00 47 F 8.39 4.19 0.00 3.19 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 48 V 8.63 3.74 2.34 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 0.89 0.00 0.00 0.96 0.00 0.00 49 D 8.03 4.42 0.00 2.90 2.57 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 50 H 8.28 4.73 0.00 3.04 3.31 0.00 5.94 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 51 L 7.44 4.01 0.00 1.66 1.59 0.35 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.50 4.15 1.98 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 1.41 0.71 0.81 0.00 0.00 53 H 8.43 4.47 0.00 3.38 3.43 0.00 5.66 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.86 4.12 0.00 1.70 1.80 0.83 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.40 4.68 1.27 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 0.00 0.00 56 K 8.03 3.74 0.00 1.99 1.67 0.00 1.49 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.38 7.81 57 R 9.20 4.03 0.00 2.04 2.22 0.00 3.04 0.00 0.00 3.42 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 58 G 8.11 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 0.00 0.00 0.00 59 D 8.28 4.74 0.00 2.78 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 60 L 7.61 3.48 0.00 1.75 1.69 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 61 H 8.38 4.12 0.00 3.23 3.28 0.00 5.73 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.68 4.12 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 R 7.93 4.08 0.00 2.18 1.97 0.00 3.16 0.00 0.00 3.25 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.65 0.00 64 R 8.07 3.84 0.00 1.80 1.99 0.00 3.13 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 65 L 7.80 3.70 0.00 1.60 1.82 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.26 4.05 2.37 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 0.89 0.00 0.00 1.04 0.00 0.00 67 L 6.96 4.58 0.00 1.49 1.76 0.98 0.87 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 68 R 7.77 3.81 0.00 1.81 1.90 0.00 3.18 0.00 0.00 3.24 8.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 69 D 7.90 4.47 0.00 2.65 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.70 4.20 0.00 1.66 1.60 0.81 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 8.56 4.21 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 72 D 7.70 4.81 0.00 2.69 2.57 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 73 V 8.48 3.64 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 0.97 0.00 0.00 0.94 0.00 0.00 74 K 7.71 4.68 0.00 1.74 1.73 0.00 1.76 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.48 7.81 75 L 7.14 4.42 0.00 1.56 1.66 0.89 1.00 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 76 V 7.87 3.62 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 0.88 0.00 0.00 0.66 0.00 0.00 77 R 7.78 3.90 0.00 1.87 2.01 0.00 3.33 0.00 0.00 3.31 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.60 0.00 78 K 7.98 4.10 0.00 1.70 1.78 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.43 7.81 79 L 8.52 4.51 0.00 1.63 1.41 0.18 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 80 F 8.55 4.53 0.00 3.06 2.97 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 81 D 8.02 4.95 0.00 2.70 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 82 E 7.50 4.81 0.00 2.02 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 2.21 2.33 0.00 83 I 7.54 3.84 1.90 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 1.34 0.75 1.16 0.00 0.00 84 A 7.79 4.16 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 85 P 0.00 4.23 0.00 1.97 2.10 0.00 3.85 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 2.01 2.12 0.00 86 R 6.90 3.61 0.00 1.09 0.98 0.00 3.09 0.00 0.00 3.04 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.64 0.00 87 Y 7.17 3.85 0.00 2.67 2.45 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 88 R 8.99 4.05 0.00 1.96 2.03 0.00 3.40 0.00 0.00 3.22 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 89 D 7.84 4.38 0.00 2.73 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 90 R 7.81 4.23 0.00 1.92 2.06 0.00 3.40 0.00 0.00 3.55 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.80 0.00 91 Q 8.38 4.56 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.37 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 92 G 9.09 3.51 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 0.00 0.00 0.00 93 G 7.93 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.21 4.56 0.00 2.74 2.45 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 95 T 7.21 4.66 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 96 R 8.44 4.76 0.00 1.90 1.72 0.00 3.19 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 97 V 8.14 5.34 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 1.06 0.00 0.00 0.92 0.00 0.00 98 L 8.33 4.98 0.00 1.59 1.49 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.70 4.56 0.00 1.75 1.80 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.40 7.81 100 L 7.75 4.71 0.00 1.36 1.67 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 101 A 8.24 4.62 1.21 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 0.00 0.00 0.00 102 E 7.78 3.71 0.00 2.15 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 0.00 2.19 2.31 0.00 103 R 7.50 3.00 0.00 1.81 1.62 0.00 3.42 0.00 0.00 3.15 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 104 R 8.82 4.17 0.00 1.96 1.92 0.00 3.18 0.00 0.00 3.72 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 105 R 8.83 3.92 0.00 1.84 1.91 0.00 3.25 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 106 G 7.74 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 D 7.94 4.55 0.00 2.76 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 G 7.68 3.69 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 0.00 0.00 0.00 109 A 7.79 4.62 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 0.00 110 P 0.00 4.54 0.00 2.18 2.05 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 111 L 7.95 4.85 0.00 1.60 1.56 0.99 0.73 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 0.00 112 A 8.41 4.74 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 0.00 113 L 9.28 5.00 0.00 1.84 1.53 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.48 5.53 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 0.59 0.00 0.00 0.98 0.00 0.00 115 E 8.35 5.77 0.00 2.08 1.74 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 2.23 2.15 0.00 116 L 9.03 4.22 0.00 1.64 1.86 1.02 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 117 V 7.46 3.14 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 0.60 0.00 0.00 0.99 0.00 0.00 118 E 8.50 4.82 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 2.04 2.20 0.00