NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2302 8.4293 120.2130 56.2719 30.9506 174.0368 2 V 4.1047 7.6109 118.0343 59.8451 33.5467 173.2097 3 Q 4.6122 8.5509 120.3818 53.5228 33.7136 175.7874 4 L 5.3584 7.9555 120.9944 55.3312 42.5705 172.9918 5 V 5.1963 7.9141 128.5229 61.6129 33.1153 170.6725 6 E 4.0666 8.6341 124.4173 55.3921 30.2501 176.1040 7 S 4.6400 8.3883 113.8563 58.1513 66.6168 174.8291 8 G 3.7042 9.7718 114.2050 41.9170 0.0000 174.1265 9 G 3.7906 10.6198 112.6938 45.6547 0.0000 172.7800 10 G 4.2776 8.2602 110.4854 45.2355 0.0000 170.6462 11 L 5.7135 8.3126 118.5958 52.3219 44.8293 177.2598 12 V 4.8389 7.6099 112.3383 60.3651 32.6261 173.8497 13 Q 4.2907 8.2264 121.5398 54.2227 29.5010 174.1808 14 P 5.1040 0.0000 0.0000 65.3062 30.7167 175.9809 15 G 4.0135 9.0645 112.4743 45.8945 0.0000 172.7439 16 G 4.3677 7.7104 117.8952 43.9304 0.0000 177.1857 17 S 5.5190 7.3741 132.1000 57.7892 65.8891 175.1569 18 L 4.6354 7.8494 130.4904 53.8106 44.8496 175.2611 19 R 5.5236 8.3574 121.1634 53.5094 30.9273 174.4640 20 L 5.1234 8.3680 130.2437 54.8645 45.8109 174.9960 21 S 5.0689 7.0545 118.2435 59.4821 66.7363 175.8510 22 C 4.9554 6.9487 116.8743 54.6608 43.6244 174.0427 23 A 4.7764 8.7921 125.8886 52.2362 19.5305 175.9366 24 A 4.9496 8.4354 118.3053 53.9899 23.3399 175.9177 25 S 4.3678 8.2926 111.5929 58.5073 62.9788 176.2439 26 G 3.6969 5.5614 106.2659 48.6778 0.0000 175.2733 27 F 3.8708 7.8818 112.9389 56.7543 39.3052 176.8819 28 T 2.0000 6.5561 111.2682 62.0712 68.3249 172.1288 29 F 5.0155 8.2445 112.5726 58.4315 46.3868 175.0007 30 S 4.6276 8.3827 114.1933 59.7828 64.0348 175.8649 31 S 3.9711 7.7522 114.3954 60.8831 61.9757 174.3022 32 Y 4.6579 8.0108 116.0026 57.7573 38.7566 175.3123 33 A 3.7581 7.9526 124.0790 52.1230 18.8764 177.0187 34 M 4.1312 7.9814 114.3067 55.4566 36.6964 174.4538 35 S 5.1525 7.5197 122.3470 56.8125 66.0119 172.8614 36 W 4.4917 8.3099 115.8011 57.2402 31.4652 173.4195 37 V 3.4022 8.5011 116.9124 61.1406 32.4865 170.7183 38 R 4.4608 8.5432 115.9164 57.0024 26.6420 174.8281 39 Q 4.6962 7.9891 121.2347 55.4684 31.4666 172.2687 40 A 4.3190 7.5890 121.9906 51.6538 21.0985 175.8472 41 P 4.4675 0.0000 0.0000 63.4301 29.3702 176.1412 42 G 4.1593 8.2760 112.3615 47.0609 0.0000 170.9479 43 K 4.3420 7.8309 117.5037 55.0088 32.1601 175.5950 44 E 3.8109 8.1704 117.8270 54.5079 29.9512 174.0907 45 R 4.1488 8.2842 117.0060 57.9337 30.7178 175.6443 46 E 5.4028 8.3207 121.1388 56.4522 32.0904 176.7594 47 I 3.9033 7.3231 128.5027 60.8393 39.6269 176.0153 48 V 4.4127 7.3796 118.9016 63.6335 35.0454 174.8998 49 S 5.4268 7.3762 112.3261 58.8565 68.1030 175.9000 50 A 4.8871 7.8041 122.5477 51.7019 23.0721 176.1965 51 V 5.6698 8.5639 118.4730 60.5424 32.6840 173.8928 52 S 4.4569 8.5647 123.7279 59.4464 64.2632 175.2168 53 G 4.1396 8.5261 114.0684 44.8164 0.0000 173.6786 54 S 4.0511 8.8416 113.8738 60.7324 62.7760 174.6929 55 G 3.7362 7.6781 114.6416 45.0888 0.0000 174.1938 56 G 4.0286 8.0113 110.1539 48.6010 0.0000 173.9577 57 S 4.8959 7.9323 116.0060 57.7425 64.4539 173.9444 58 T 5.3474 8.4858 112.6017 60.6074 71.8179 172.1226 59 Y 4.6818 8.8495 123.6344 56.1902 42.3501 174.4167 60 Y 5.4228 8.0340 118.7657 57.5924 38.9627 175.2097 61 A 4.6162 7.9709 124.5082 52.2368 17.6742 178.0255 62 D 4.9374 8.4693 116.5739 54.8272 42.1226 177.2091 63 S 4.5474 7.5391 111.4812 59.5397 65.6019 174.4916 64 V 4.3659 7.2532 113.5477 60.2051 32.2651 177.8232 65 K 3.5252 8.3436 120.9936 59.2511 32.1652 177.1672 66 G 3.9033 7.7142 104.3262 44.8207 0.0000 172.4872 67 R 4.6480 8.2196 119.2931 55.6568 30.5359 174.1737 68 F 5.6840 8.2391 113.3842 56.0431 43.5674 173.9612 69 T 4.4779 8.1018 113.4986 61.1489 70.8784 173.0233 70 I 4.4082 8.0220 130.4162 59.9228 36.3177 174.7493 71 S 4.4715 8.8565 122.4532 58.2069 64.2724 173.4503 72 R 4.8484 8.3031 120.3359 54.9196 34.7146 174.9592 73 D 4.2148 8.2718 120.3797 52.2153 42.7904 175.7566 74 N 4.6561 9.0064 121.0163 57.1755 39.5009 176.0884 75 S 4.4729 7.7052 113.5044 59.0371 63.3570 174.7495 76 K 4.5365 7.7467 117.4995 56.4335 34.0864 176.8622 77 N 5.1714 8.3507 113.8394 53.9433 36.6143 173.4291 78 T 5.1590 6.3746 108.2937 61.8614 71.8835 171.1384 79 L 5.1907 7.2006 124.3344 53.1149 44.0195 174.9801 80 Y 5.4955 8.8310 118.1074 55.8001 41.9462 174.4716 81 L 5.1693 8.3080 119.1179 53.4395 45.4279 176.1069 82 Q 5.1297 8.9147 124.0016 54.0896 29.7248 174.5084 83 M 3.6014 8.2208 122.7720 52.8631 32.9825 174.1314 84 N 5.5189 9.7384 118.9710 50.1082 39.2730 174.9445 85 S 5.7004 9.1827 128.0985 59.1435 62.1226 175.8905 86 L 4.3471 7.3859 120.5036 55.9094 41.8695 176.9778 87 R 4.5260 8.4334 112.4948 57.2548 29.1613 174.4597 88 A 3.8418 8.0505 114.5379 53.8015 16.4766 177.1992 89 E 4.9033 7.7574 112.3934 56.8749 32.6110 177.4194 90 D 4.6368 8.1579 113.3409 52.7793 42.7395 175.6344 91 T 4.2620 7.8843 115.4352 64.5475 70.1974 174.3680 92 A 4.8116 8.4308 123.6175 50.7779 23.5899 174.9791 93 V 4.7386 8.0335 117.0511 60.5449 34.8113 173.8547 94 Y 5.4618 7.9479 122.9130 56.8251 42.8074 174.1678 95 Y 5.2265 8.4280 117.3876 57.2212 42.1830 175.9196 96 C 5.1736 9.7728 122.5056 57.0392 42.4475 173.1676 97 A 4.6864 7.1924 121.3026 52.0238 22.8360 177.3224 98 R 4.0357 8.5604 122.7336 55.8809 32.1749 176.6964 99 L 4.0659 7.5215 114.5956 54.9001 40.0973 174.7184 100 K 4.4314 8.2080 120.1855 57.6901 34.4481 172.8812 101 K 4.0437 8.8395 128.4729 57.8335 33.0914 175.9592 102 Y 3.7856 9.2557 125.7095 57.6959 38.5697 168.5693 103 A 5.5100 7.9160 120.5975 50.9408 19.6948 175.6020 104 F 5.0996 9.5296 122.0963 59.4117 41.0564 174.2361 105 D 5.4017 7.3163 135.0000 54.9818 44.2039 176.5181 106 Y 4.3727 6.8926 120.7342 55.7528 40.0761 174.5528 107 W 3.3873 8.6681 128.5051 58.8288 26.6057 174.4502 108 G 4.3706 8.2100 108.9852 45.2149 0.0000 170.3371 109 Q 4.3296 9.4348 124.1016 55.3615 32.1628 173.5427 110 G 2.5570 7.4772 104.5625 44.0429 0.0000 172.4980 111 T 4.3460 7.8368 122.0552 62.7891 69.5849 170.4465 112 L 4.1333 7.8338 117.1858 56.7396 44.3672 173.5842 113 V 4.3689 7.4063 111.5863 61.4653 36.5341 173.5366 114 T 4.4791 8.5431 123.7473 61.7532 69.8649 174.1614 115 V 4.4259 8.4757 121.0244 60.6987 31.0032 176.1163 116 S 4.1933 8.5847 120.2674 58.6144 63.8278 174.1302 117 S 4.3861 8.3123 116.9291 59.2714 62.3374 176.5634 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 E 8.43 4.23 0.00 1.83 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 2.13 2.31 0.00 2 V 7.61 4.10 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 -0.67 0.00 0.00 0.08 0.00 0.00 3 Q 8.55 4.61 0.00 1.93 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.00 0.00 0.00 0.00 0.00 0.00 2.22 2.16 0.00 4 L 7.96 5.36 0.00 0.36 0.82 -1.25 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 5 V 7.91 5.20 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 0.67 0.00 0.00 0.95 0.00 0.00 6 E 8.63 4.07 0.00 2.27 2.40 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 2.31 2.25 0.00 7 S 8.39 4.64 0.00 3.90 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 8 G 9.77 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 0.00 0.00 0.00 9 G 10.62 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 0.00 0.00 0.00 10 G 8.26 4.28 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 0.00 11 L 8.31 5.71 0.00 1.61 1.74 0.93 1.10 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 12 V 7.61 4.84 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 0.89 0.00 0.00 1.01 0.00 0.00 13 Q 8.23 4.29 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 7.08 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 14 P 0.00 5.10 0.00 2.19 2.12 0.00 3.39 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.94 0.00 15 G 9.06 4.01 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 0.00 0.00 0.00 16 G 7.71 4.37 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 0.00 17 S 7.37 5.52 0.00 4.19 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 18 L 7.85 4.64 0.00 1.83 1.57 1.01 0.53 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 19 R 8.36 5.52 0.00 1.86 1.85 0.00 3.11 0.00 0.00 3.91 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 20 L 8.37 5.12 0.00 2.24 1.86 1.15 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 21 S 7.05 5.07 0.00 3.07 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 6.95 4.96 0.00 2.44 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.79 4.78 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 24 A 8.44 4.95 0.94 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 0.00 0.00 25 S 8.29 4.37 0.00 3.74 3.40 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 26 G 5.56 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 0.00 0.00 0.00 27 F 7.88 3.87 0.00 2.45 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 28 T 6.56 2.00 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 1.19 0.00 0.00 29 F 8.24 5.02 0.00 3.02 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 30 S 8.38 4.63 0.00 4.08 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 31 S 7.75 3.97 0.00 3.79 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.01 4.66 0.00 3.19 3.11 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 0.00 0.00 0.00 0.00 33 A 7.95 3.76 1.47 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 0.00 0.00 34 M 7.98 4.13 0.00 2.14 2.37 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.72 0.00 35 S 7.52 5.15 0.00 3.62 3.53 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 36 W 8.31 4.49 0.00 3.26 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 37 V 8.50 3.40 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 -0.50 0.00 0.00 -1.50 0.00 0.00 38 R 8.54 4.46 0.00 1.97 2.36 0.00 3.33 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 39 Q 7.99 4.70 0.00 2.67 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.03 0.00 0.00 0.00 0.00 0.00 2.11 1.67 0.00 40 A 7.59 4.32 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 41 P 0.00 4.47 0.00 2.24 2.24 0.00 3.89 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.92 0.00 42 G 8.28 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 43 K 7.83 4.34 0.00 1.66 1.81 0.00 1.85 0.00 0.00 1.77 0.00 0.00 3.39 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.43 7.81 44 E 8.17 3.81 0.00 2.29 2.04 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 2.20 2.34 0.00 45 R 8.28 4.15 0.00 1.74 2.02 0.00 3.31 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.68 0.00 46 E 8.32 5.40 0.00 2.21 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 0.00 2.09 2.11 0.00 47 I 7.32 3.90 1.83 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 0.98 1.27 1.16 0.00 0.00 48 V 7.38 4.41 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 -0.30 0.00 0.00 49 S 7.38 5.43 0.00 3.58 3.56 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 50 A 7.80 4.89 1.16 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 51 V 8.56 5.67 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 0.69 0.00 0.00 0.99 0.00 0.00 52 S 8.56 4.46 0.00 3.91 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 53 G 8.53 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 0.00 0.00 0.00 54 S 8.84 4.05 0.00 3.88 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.68 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 0.00 0.00 0.00 56 G 8.01 4.03 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 0.00 0.00 0.00 57 S 7.93 4.90 0.00 3.93 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 58 T 8.49 5.35 4.50 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 1.36 0.00 0.00 59 Y 8.85 4.68 0.00 3.08 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 8.03 5.42 0.00 2.78 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 61 A 7.97 4.62 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 62 D 8.47 4.94 0.00 2.58 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 7.54 4.55 0.00 3.65 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 64 V 7.25 4.37 1.70 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 0.38 0.00 0.00 -0.58 0.00 0.00 65 K 8.34 3.53 0.00 1.56 1.75 0.00 1.40 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.24 1.29 7.81 66 G 7.71 3.90 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 0.00 0.00 0.00 67 R 8.22 4.65 0.00 1.80 1.88 0.00 3.03 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 68 F 8.24 5.68 0.00 3.31 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 69 T 8.10 4.48 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 1.26 0.00 0.00 70 I 8.02 4.41 1.72 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.86 0.87 0.00 0.00 71 S 8.86 4.47 0.00 3.92 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 72 R 8.30 4.85 0.00 1.56 1.58 0.00 3.16 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 73 D 8.27 4.21 0.00 2.77 2.46 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 74 N 9.01 4.66 0.00 2.79 2.80 0.00 0.00 6.86 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 75 S 7.71 4.47 0.00 4.04 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 7.75 4.54 0.00 1.92 1.83 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.41 7.81 77 N 8.35 5.17 0.00 3.08 3.00 0.00 0.00 6.66 6.93 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 78 T 6.37 5.16 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 1.33 0.00 0.00 79 L 7.20 5.19 0.00 1.80 1.32 0.81 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 8.83 5.50 0.00 2.83 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 81 L 8.31 5.17 0.00 1.91 1.49 0.35 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 8.91 5.13 0.00 1.94 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 83 M 8.22 3.60 0.00 0.51 1.41 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.08 0.00 84 N 9.74 5.52 0.00 2.87 2.89 0.00 0.00 6.89 7.52 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 85 S 9.18 5.70 0.00 3.95 4.06 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 86 L 7.39 4.35 0.00 2.00 1.71 1.03 1.04 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 87 R 8.43 4.53 0.00 1.88 1.94 0.00 3.19 0.00 0.00 3.43 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 88 A 8.05 3.84 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 89 E 7.76 4.90 0.00 2.15 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 2.12 2.23 0.00 90 D 8.16 4.64 0.00 2.64 2.61 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 91 T 7.88 4.26 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 92 A 8.43 4.81 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 93 V 8.03 4.74 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 1.56 0.00 0.00 0.91 0.00 0.00 94 Y 7.95 5.46 0.00 2.95 2.44 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 0.00 95 Y 8.43 5.23 0.00 3.07 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 96 C 9.77 5.17 0.00 3.55 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 97 A 7.19 4.69 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 98 R 8.56 4.04 0.00 2.21 2.07 0.00 3.30 0.00 0.00 2.85 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.16 0.00 99 L 7.52 4.07 0.00 1.23 0.27 0.73 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.21 4.43 0.00 1.91 1.91 0.00 1.67 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.62 1.50 7.81 101 K 8.84 4.04 0.00 2.09 1.98 0.00 1.82 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.51 1.51 7.81 102 Y 9.26 3.79 0.00 3.31 3.24 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 0.00 103 A 7.92 5.51 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 0.00 104 F 9.53 5.10 0.00 2.91 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 0.00 105 D 7.32 5.40 0.00 2.25 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 0.00 0.00 0.00 0.00 106 Y 6.89 4.37 0.00 2.51 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 0.00 107 W 8.67 3.39 0.00 3.72 3.47 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 0.00 108 G 8.21 4.37 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 0.00 109 Q 9.43 4.33 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.36 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 110 G 7.48 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 0.00 0.00 0.00 111 T 7.84 4.35 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 1.45 0.00 0.00 112 L 7.83 4.13 0.00 1.59 1.47 0.86 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.41 4.37 2.15 0.00 0.00 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 0.84 0.00 0.00 114 T 8.54 4.48 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 1.21 0.00 0.00 115 V 8.48 4.43 2.15 0.00 0.00 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 0.00 0.00 0.95 0.00 0.00 116 S 8.58 4.19 0.00 3.91 3.78 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 0.00 117 S 8.31 4.39 0.00 3.84 3.78 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