NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4131 8.3001 120.3527 55.4386 33.8047 179.0025 2 A 4.0423 8.7418 125.0648 50.1937 19.7062 176.6932 3 R 3.7099 8.5418 113.7244 56.9447 31.6486 174.2280 4 Y 4.1672 8.7323 116.6166 60.1042 38.9446 176.4107 5 G 3.8290 8.0869 104.9555 46.2415 0.0000 173.9910 6 A 4.3560 7.8037 126.0508 50.3694 17.2795 178.0529 7 T 3.3263 7.5697 112.0069 63.3837 69.3388 175.3456 8 S 3.9686 7.1825 117.0000 58.4840 62.8915 171.6261 9 T 4.4956 8.1447 120.5938 61.8094 69.4592 173.5834 10 N 5.0949 8.3532 117.6395 50.6500 43.0781 172.4429 11 P 4.4513 0.0000 0.0000 64.1325 31.4465 176.5365 12 A 4.5882 7.8433 121.2776 52.4805 19.0202 177.7756 13 K 4.8838 8.2226 116.0261 56.9053 34.8052 175.5439 14 S 5.2464 8.2455 113.1190 56.9576 66.3279 171.9019 15 A 4.8787 8.7053 123.0146 51.0711 22.9859 175.0431 16 S 5.0078 8.3562 112.9730 57.8744 67.2632 173.6341 17 A 4.6458 8.7922 121.7866 51.6921 22.8640 175.5654 18 R 4.8602 8.4367 116.9960 54.9513 34.5448 175.0813 19 G 4.3046 8.6962 109.4495 45.2545 0.0000 172.7266 20 S 4.1491 8.2421 114.7340 57.1140 65.2838 173.3801 21 Y 3.6371 7.9500 125.5933 59.0424 35.5382 170.2040 22 L 4.4478 7.4185 117.5316 53.7023 43.8159 177.7882 23 R 4.4048 7.9368 121.2981 55.4756 29.5208 177.4756 24 V 4.2471 6.6959 115.8840 62.0056 34.7219 174.0846 25 S 3.7742 8.0539 119.6420 55.8644 63.3786 174.2099 26 F 4.5403 9.1082 131.3548 60.9961 39.0485 177.3761 27 K 3.5768 7.9408 116.5228 59.2315 32.2551 178.4476 28 N 4.8378 7.9551 116.4172 56.0038 38.7617 177.6866 29 T 4.0997 7.8872 117.4199 66.0170 68.5640 177.1284 30 R 3.8021 7.6771 118.7247 59.2784 29.3352 178.8597 31 E 3.9131 8.0456 118.8151 59.3008 29.0773 179.2592 32 T 3.7062 7.7411 115.2036 66.4154 68.2701 176.6925 33 A 3.6776 7.8717 121.9760 55.1667 18.4839 179.2679 34 Q 3.8687 7.8950 116.6645 58.5939 29.1863 177.4155 35 A 4.0155 7.2630 120.0605 53.0570 18.8894 178.7980 36 I 3.6739 6.7380 111.3754 61.0873 37.5723 175.9700 37 N 4.3804 5.7700 127.0449 52.4523 40.6670 174.8555 38 G 3.2585 7.6330 111.9163 45.9750 0.0000 169.8471 39 W 3.8553 9.0595 130.0236 56.7816 28.5900 174.9288 40 E 4.6500 8.5358 121.5439 55.4298 31.7726 177.5076 41 L 4.0428 8.3294 118.5679 58.1578 41.5707 179.6749 42 T 4.0052 7.8521 112.6836 65.0190 67.1901 176.3419 43 K 3.7240 8.2600 120.3712 59.1419 31.8474 179.2206 44 A 4.3936 8.0702 120.9225 55.2266 18.2913 179.4919 45 Q 4.2115 8.3195 119.4854 58.3526 28.9119 177.8046 46 K 4.6026 7.6005 116.3527 56.5275 32.7829 177.1726 47 Y 4.0844 7.6211 122.7629 60.0789 38.6917 177.6404 48 L 4.1177 7.8146 119.8995 57.7548 41.1937 179.3789 49 E 4.0347 8.4059 118.8274 59.4160 29.3253 179.2687 50 Q 3.6845 7.8517 117.4324 58.4018 28.3804 178.4882 51 V 3.4766 7.4363 119.6596 65.5772 31.2393 177.7923 52 L 3.8703 7.3707 118.5577 58.1800 42.0261 178.5099 53 D 4.4802 7.4523 117.2772 57.0964 40.9025 175.3147 54 H 4.3686 7.1903 119.6040 56.9949 36.4502 174.4595 55 Q 4.3156 8.0860 120.6480 55.9827 29.4504 176.8598 56 R 3.8733 7.4496 124.7062 56.0699 28.3232 180.4707 57 A 3.5311 8.7685 130.4523 54.3523 17.9540 175.6246 58 I 4.7249 7.8325 117.6867 58.2709 40.5402 173.3168 59 P 4.1904 0.0000 0.0000 63.3442 31.5857 175.4342 60 F 4.5751 8.7512 121.3449 56.0270 40.4704 175.6882 61 R 4.2942 9.0244 125.4736 58.0058 30.5296 177.6961 62 R 4.4677 8.1533 113.7893 56.1964 32.5655 175.6798 63 F 4.8708 8.4323 121.7580 57.0766 37.7520 174.6385 64 N 4.8429 7.6142 114.7001 52.1629 38.1188 175.8127 65 S 4.0911 7.5287 112.6073 58.6455 63.3993 173.9673 66 S 3.8974 8.1147 116.7851 59.5200 62.6711 174.5875 67 I 3.4181 8.2586 123.5110 60.5811 38.3595 174.0898 68 G 4.2273 7.9413 118.6646 45.7096 0.0000 174.2348 69 R 4.7784 8.4129 123.2198 54.5419 33.6005 174.5930 70 T 4.7125 8.0497 108.5971 59.7565 71.9625 174.1471 71 A 4.3376 7.3554 122.1348 52.7528 23.6354 175.2781 72 Q 4.8910 8.5278 112.7571 54.7641 31.7661 175.2511 73 G 3.9342 8.2798 111.7834 43.3291 0.0000 172.1391 74 K 3.5118 9.6603 123.6979 57.4039 31.8679 175.6848 75 E 3.7380 8.9058 117.2031 58.5490 25.9420 176.0100 76 F 4.3968 8.0941 121.7560 56.0564 38.2153 175.0818 77 G 3.9072 8.5283 107.5624 44.9969 0.0000 170.5788 78 V 4.6247 7.2123 111.2813 60.3221 35.2759 176.2208 79 T 4.6988 8.1906 111.9356 64.9212 71.7384 174.7451 80 K 4.6078 7.8105 118.8321 54.5842 32.6686 176.5804 81 A 4.3161 8.2105 121.2603 52.8972 19.3005 177.5018 82 R 3.9349 8.4812 119.8874 54.1250 34.4430 175.6612 83 W 4.9733 7.0426 115.4455 53.8827 27.8940 171.5943 84 P 4.6636 0.0000 0.0000 62.1426 31.0250 176.9680 85 A 4.3314 8.4815 126.4604 53.6360 18.5783 178.5792 86 K 3.9616 8.0566 118.5910 59.6301 32.4081 178.5135 87 S 4.5529 7.8859 113.3932 60.4142 62.9413 176.7042 88 V 3.7158 7.7036 121.3955 65.6938 31.4386 177.6561 89 K 4.0317 8.1056 119.1057 59.3020 32.0811 178.6441 90 F 4.4297 7.9769 120.4244 61.5411 39.3879 177.3472 91 V 3.5317 7.7713 117.3495 65.6435 31.0313 178.0279 92 Q 4.1357 8.4083 118.3477 58.8012 28.6569 178.8359 93 G 3.7642 8.1433 106.3684 47.3198 0.0000 175.7344 94 L 4.0874 7.7191 122.2842 58.1174 42.1574 179.0468 95 L 4.0410 8.1065 119.3260 57.6559 41.3941 179.4738 96 Q 4.0284 8.1565 117.8824 59.1887 28.6205 178.0797 97 N 4.2964 7.8988 117.5721 56.3868 39.0076 176.8066 98 A 3.9878 8.1212 122.0886 54.9229 18.2564 179.1407 99 A 4.1382 8.0679 117.5657 54.0616 18.7825 178.9218 100 A 4.2684 7.3944 118.6646 54.5467 19.1064 179.0770 101 N 4.4563 8.4076 115.0099 55.5493 38.6590 175.7738 102 A 5.1927 7.8625 122.6718 52.2949 19.2921 177.1448 103 E 4.5467 7.9700 118.7219 56.6408 31.5868 175.2350 104 A 4.5525 7.5067 119.6524 52.2255 19.4393 178.2168 105 K 4.0922 8.2146 116.7882 59.8671 32.7307 178.4202 106 G 3.8509 8.2874 105.2084 46.1243 0.0000 175.8430 107 L 3.1361 7.9867 113.6831 52.9158 43.3027 178.8139 108 D 4.5000 9.3363 129.8710 53.4909 39.7932 173.1176 109 A 4.6234 8.1818 117.4148 52.7286 21.9028 177.8263 110 T 3.9825 8.4424 105.3588 65.5098 70.4883 177.1635 111 K 4.2756 7.8612 117.0240 53.2728 34.0223 178.3918 112 L 3.8434 9.1516 135.0000 53.7159 40.1031 171.3348 113 Y 4.3048 8.5852 119.3641 57.4559 39.0437 169.0885 114 V 3.8464 7.3274 128.7113 63.3179 31.1824 175.2420 115 S 5.0017 8.6529 123.6025 60.1227 63.8574 173.5293 116 H 4.8878 7.8061 117.0140 55.1838 33.1696 172.2393 117 I 4.9677 7.6414 123.2233 59.7683 41.1510 173.7482 118 Q 4.7053 9.0231 126.5393 54.6922 32.2834 173.5514 119 V 4.8902 8.4477 121.4522 60.0970 33.7666 174.4428 120 N 5.0750 8.9215 121.7515 51.1165 41.6029 174.0184 121 Q 3.3899 8.5258 123.8476 55.7455 28.8605 175.6122 122 A 4.2281 8.4178 129.3597 54.1422 20.3667 175.0125 123 P 4.8064 0.0000 0.0000 62.4004 35.6423 176.7073 124 K 4.6038 8.7681 112.4513 53.9968 35.2636 175.1709 125 Q 4.2146 8.3504 122.8948 55.9654 30.0464 175.5752 126 R 4.6695 8.3753 118.8314 54.8002 32.0110 174.4311 127 R 4.7160 8.6969 123.2026 54.8391 34.6837 174.0602 128 R 5.1315 8.5110 116.3755 55.5165 34.7898 174.8606 129 T 4.2605 8.4992 114.8395 60.2771 70.4233 172.9622 130 Y 4.2401 8.0629 126.3562 60.0363 38.5201 173.9957 131 R 4.6081 8.8811 122.6964 56.2261 36.6751 175.2939 132 A 4.4734 5.8000 115.4675 51.7337 22.7920 176.9971 133 H 3.9277 9.6874 120.8947 57.1222 26.1365 175.9933 134 G 3.9661 8.4565 104.5797 45.6031 0.0000 173.4382 135 R 4.6073 7.7607 119.5343 54.1873 31.8064 174.8633 136 I 4.7267 8.1359 122.2291 59.2254 40.9615 174.1245 137 N 4.8857 8.6652 127.5809 51.9919 41.1912 174.1215 138 K 4.4862 8.4617 121.4248 56.5961 33.3018 176.2641 139 Y 4.9294 8.7842 124.2226 55.9602 41.6703 173.7885 140 E 4.6876 9.0560 125.1297 55.3591 31.8803 175.9054 141 S 4.5634 8.0876 118.4080 56.6738 65.0754 173.6336 142 S 4.4796 8.6642 122.1820 57.9434 63.3050 172.0116 143 P 5.1887 0.0000 0.0000 62.1106 34.3570 172.6342 144 S 4.6144 8.7993 113.5801 58.2829 67.9653 174.3344 145 H 4.8425 8.6075 121.8689 55.4104 32.0413 173.5007 146 I 4.9925 8.2767 121.5591 60.1641 42.0851 173.0751 147 E 4.9926 9.0127 124.8779 54.6250 34.1107 174.4314 148 L 4.9503 8.7849 124.3909 53.6469 46.2141 175.3031 149 V 4.7131 8.3711 117.9400 59.9705 36.4780 174.3164 150 V 4.8426 8.6917 117.0579 59.9954 36.0372 174.7718 151 T 5.2173 8.3963 118.7342 61.4052 73.0264 173.3115 152 E 4.3663 8.7358 123.1339 56.6204 30.3182 177.7150 153 K 4.1640 8.0007 121.8203 56.6398 32.6164 176.1206 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 4.41 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 2 A 8.74 4.04 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 3 R 8.54 3.71 0.00 2.02 2.16 0.00 3.23 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 4 Y 8.73 4.17 0.00 2.92 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.09 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 6 A 7.80 4.36 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.57 3.33 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 1.22 0.00 0.00 8 S 7.18 3.97 0.00 3.74 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.14 4.50 4.34 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 1.31 0.00 0.00 10 N 8.35 5.09 0.00 2.69 2.62 0.00 0.00 6.66 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 11 P 0.00 4.45 0.00 2.24 2.19 0.00 3.81 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 2.00 1.98 0.00 12 A 7.84 4.59 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 13 K 8.22 4.88 0.00 1.82 1.76 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.40 7.81 14 S 8.25 5.25 0.00 4.06 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.71 4.88 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 16 S 8.36 5.01 0.00 3.72 3.70 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 17 A 8.79 4.65 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 18 R 8.44 4.86 0.00 1.65 1.97 0.00 3.20 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 19 G 8.70 4.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.24 4.15 0.00 3.69 3.70 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 21 Y 7.95 3.64 0.00 3.16 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.42 4.45 0.00 1.06 1.08 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.94 4.40 0.00 1.72 1.85 0.00 3.27 0.00 0.00 3.11 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 24 V 6.70 4.25 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 1.02 0.00 0.00 0.75 0.00 0.00 25 S 8.05 3.77 0.00 3.99 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 9.11 4.54 0.00 3.16 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 27 K 7.94 3.58 0.00 1.50 0.90 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.11 1.45 7.81 28 N 7.96 4.84 0.00 2.91 3.09 0.00 0.00 7.06 6.94 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 29 T 7.89 4.10 4.45 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 1.05 0.00 0.00 30 R 7.68 3.80 0.00 1.81 1.93 0.00 2.41 0.00 0.00 2.91 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.51 0.00 31 E 8.05 3.91 0.00 2.23 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.77 0.00 32 T 7.74 3.71 4.30 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 0.00 0.00 0.00 1.17 0.00 0.00 33 A 7.87 3.68 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 34 Q 7.90 3.87 0.00 1.94 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.87 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 35 A 7.26 4.02 1.12 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 36 I 6.74 3.67 1.77 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.43 0.90 0.00 0.00 37 N 5.77 4.38 0.00 2.42 2.44 0.00 0.00 6.64 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 38 G 7.63 3.26 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 0.00 39 W 9.06 3.86 0.00 3.36 3.32 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 40 E 8.54 4.65 0.00 2.26 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 0.00 2.37 2.50 0.00 41 L 8.33 4.04 0.00 1.72 1.77 0.93 0.54 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 42 T 7.85 4.01 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 43 K 8.26 3.72 0.00 1.93 1.00 0.00 1.30 0.00 0.00 1.25 0.00 0.00 2.24 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.21 7.81 44 A 8.07 4.39 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 45 Q 8.32 4.21 0.00 2.27 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.27 0.00 46 K 7.60 4.60 0.00 1.83 1.72 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.55 7.81 47 Y 7.62 4.08 0.00 3.26 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 48 L 7.81 4.12 0.00 2.00 1.76 1.04 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.41 4.03 0.00 1.98 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 2.33 2.50 0.00 50 Q 7.85 3.68 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.90 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 51 V 7.44 3.48 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 1.10 0.00 0.00 0.91 0.00 0.00 52 L 7.37 3.87 0.00 1.73 1.81 0.93 1.28 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 53 D 7.45 4.48 0.00 2.69 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 54 H 7.19 4.37 0.00 2.78 3.21 0.00 5.94 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 8.09 4.32 0.00 1.94 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 5.63 0.00 0.00 0.00 0.00 0.00 2.05 2.28 0.00 56 R 7.45 3.87 0.00 2.24 1.38 0.00 3.67 0.00 0.00 3.41 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 57 A 8.77 3.53 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 0.00 0.00 0.00 0.00 0.00 58 I 7.83 4.72 1.98 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 1.21 0.92 0.67 0.00 0.00 59 P 0.00 4.19 0.00 1.97 2.02 0.00 3.53 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.18 0.00 60 F 8.75 4.58 0.00 3.05 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 61 R 9.02 4.29 0.00 1.81 1.98 0.00 3.21 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 62 R 8.15 4.47 0.00 1.76 2.09 0.00 3.32 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 63 F 8.43 4.87 0.00 2.91 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 64 N 7.61 4.84 0.00 2.80 2.87 0.00 0.00 6.36 7.64 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 65 S 7.53 4.09 0.00 3.85 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 66 S 8.11 3.90 0.00 3.79 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.26 3.42 1.85 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.59 0.82 0.00 0.00 68 G 7.94 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 0.00 0.00 0.00 0.00 69 R 8.41 4.78 0.00 1.75 1.80 0.00 3.23 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 70 T 8.05 4.71 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 1.25 0.00 0.00 71 A 7.36 4.34 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.53 4.89 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 73 G 8.28 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 74 K 9.66 3.51 0.00 1.99 1.52 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.66 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.51 1.59 7.81 75 E 8.91 3.74 0.00 2.23 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 0.00 2.39 2.31 0.00 76 F 8.09 4.40 0.00 2.89 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 77 G 8.53 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 78 V 7.21 4.62 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.09 0.00 0.00 79 T 8.19 4.70 4.26 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 1.24 0.00 0.00 80 K 7.81 4.61 0.00 1.66 1.61 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.43 7.81 81 A 8.21 4.32 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 0.00 0.00 0.00 0.00 0.00 82 R 8.48 3.93 0.00 1.07 1.10 0.00 2.53 0.00 0.00 2.75 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.99 0.00 83 W 7.04 4.97 0.00 3.38 3.22 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 84 P 0.00 4.66 0.00 2.37 2.33 0.00 3.98 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.17 0.00 85 A 8.48 4.33 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 86 K 8.06 3.96 0.00 1.95 1.91 0.00 1.64 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.65 7.81 87 S 7.89 4.55 0.00 4.17 4.02 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 88 V 7.70 3.72 2.32 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 1.11 0.00 0.00 1.08 0.00 0.00 89 K 8.11 4.03 0.00 1.96 1.99 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.50 7.81 90 F 7.98 4.43 0.00 3.21 3.19 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 91 V 7.77 3.53 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.80 0.00 0.00 92 Q 8.41 4.14 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.53 2.56 0.00 93 G 8.14 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.72 4.09 0.00 1.78 1.64 0.69 0.59 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 95 L 8.11 4.04 0.00 1.88 1.70 0.98 0.74 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 96 Q 8.16 4.03 0.00 2.31 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.63 2.38 0.00 97 N 7.90 4.30 0.00 2.87 3.01 0.00 0.00 7.06 7.63 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 98 A 8.12 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 99 A 8.07 4.14 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 0.00 100 A 7.39 4.27 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 0.00 101 N 8.41 4.46 0.00 2.90 2.88 0.00 0.00 6.77 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.86 5.19 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 103 E 7.97 4.55 0.00 2.04 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 2.18 2.34 0.00 104 A 7.51 4.55 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 0.00 105 K 8.21 4.09 0.00 1.89 2.12 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.40 7.81 106 G 8.29 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 0.00 107 L 7.99 3.14 0.00 1.71 1.29 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 108 D 9.34 4.50 0.00 2.94 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 0.00 109 A 8.18 4.62 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 8.44 3.98 4.26 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 1.22 0.00 0.00 111 K 7.86 4.28 0.00 1.85 1.53 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.52 1.56 7.81 112 L 9.15 3.84 0.00 2.06 1.79 0.96 1.06 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 0.00 113 Y 8.59 4.30 0.00 3.16 3.21 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 0.00 114 V 7.33 3.85 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 0.62 0.00 0.00 0.85 0.00 0.00 115 S 8.65 5.00 0.00 4.18 4.08 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 0.00 116 H 7.81 4.89 0.00 3.41 2.88 0.00 5.72 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 7.64 4.97 1.72 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 1.26 0.93 0.78 0.00 0.00 118 Q 9.02 4.71 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 119 V 8.45 4.89 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 0.75 0.00 0.00 1.22 0.00 0.00 120 N 8.92 5.08 0.00 2.57 2.65 0.00 0.00 6.33 7.03 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 0.00 121 Q 8.53 3.39 0.00 1.12 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.08 0.00 0.00 0.00 0.00 0.00 2.02 1.64 0.00 122 A 8.42 4.23 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 0.00 123 P 0.00 4.81 0.00 2.08 1.24 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.99 0.00 124 K 8.77 4.60 0.00 1.53 1.65 0.00 1.50 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.30 1.44 7.81 125 Q 8.35 4.21 0.00 2.08 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 126 R 8.38 4.67 0.00 1.70 1.82 0.00 2.94 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.57 0.00 127 R 8.70 4.72 0.00 1.41 1.81 0.00 2.95 0.00 0.00 2.83 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.42 0.00 128 R 8.51 5.13 0.00 1.45 1.62 0.00 3.13 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 129 T 8.50 4.26 4.08 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 1.25 0.00 0.00 130 Y 8.06 4.24 0.00 2.99 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 0.00 131 R 8.88 4.61 0.00 1.74 1.64 0.00 3.18 0.00 0.00 3.24 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 132 A 5.80 4.47 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 0.00 133 H 9.69 3.93 0.00 3.30 3.40 0.00 5.95 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 0.00 134 G 8.46 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 0.00 135 R 7.76 4.61 0.00 2.06 1.86 0.00 3.09 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 1.58 1.74 0.00 136 I 8.14 4.73 1.90 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 1.11 0.81 0.91 0.00 0.00 137 N 8.67 4.89 0.00 2.90 2.64 0.00 0.00 6.94 6.96 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 0.00 138 K 8.46 4.49 0.00 1.69 1.74 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.50 7.81 139 Y 8.78 4.93 0.00 2.86 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 0.00 140 E 9.06 4.69 0.00 1.96 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 2.37 0.00 141 S 8.09 4.56 0.00 3.60 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 0.00 142 S 8.66 4.48 0.00 3.80 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 0.00 143 P 0.00 5.19 0.00 1.96 1.93 0.00 3.88 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 144 S 8.80 4.61 0.00 4.16 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 0.00 145 H 8.61 4.84 0.00 2.99 3.10 0.00 5.80 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 I 8.28 4.99 1.82 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.12 0.70 0.00 0.00 147 E 9.01 4.99 0.00 1.87 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 148 L 8.78 4.95 0.00 1.59 1.48 0.82 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 149 V 8.37 4.71 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 0.46 0.00 0.00 -0.08 0.00 0.00 150 V 8.69 4.84 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 0.82 0.00 0.00 1.01 0.00 0.00 151 T 8.40 5.22 4.34 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 1.35 0.00 0.00 152 E 8.74 4.37 0.00 1.90 1.91 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 2.38 2.49 0.00 153 K 8.00 4.16 0.00 1.83 1.65 0.00 1.60 0.00 0.00 1.95 0.00 0.00 2.49 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.20 1.27 7.81