NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.3765 8.1693 120.6385 54.9892 43.1075 175.5223 8 H 4.9355 8.0193 115.3274 53.4526 31.6814 171.2448 9 K 4.6999 9.4519 120.6887 55.9100 33.8500 177.1908 10 E 5.0132 9.2132 122.7057 53.7333 33.5415 173.8221 11 P 4.9909 0.0000 0.0000 63.2143 32.4277 174.9267 12 A 4.9724 8.4673 121.6197 51.2690 23.0631 175.4271 13 T 4.6495 8.5433 115.1396 61.2684 71.9502 173.9739 14 L 4.2162 8.6873 127.9740 55.9316 42.3646 175.7087 15 I 4.3576 8.5359 126.5620 62.1553 38.9102 176.0194 16 K 4.4211 7.5169 119.0283 55.4818 35.4108 173.7640 17 A 4.5018 8.7832 130.3020 51.9985 19.2371 177.1670 18 I 4.2119 8.0242 123.1402 62.2976 38.5990 174.8235 19 D 4.4025 7.5228 117.5359 53.4017 43.8042 176.0337 20 G 3.7691 8.9998 109.6216 47.9737 0.0000 173.9706 21 D 4.9030 8.0454 116.2970 52.9509 40.4292 175.2009 22 T 5.1802 7.8228 116.3424 62.3917 72.8699 173.3105 23 V 4.7910 8.7574 118.6266 59.4037 36.2886 174.2497 24 K 5.0473 9.4726 125.6445 55.0309 34.0703 175.1688 25 L 5.3228 9.1855 126.6350 53.0589 46.4240 175.3025 26 M 4.8639 9.3772 122.3532 55.1362 33.4991 174.3233 27 Y 5.0057 8.9992 128.2088 55.9231 41.9618 175.6118 28 K 3.3498 9.1953 127.1375 57.6537 29.6393 175.7240 29 G 3.9735 8.3814 101.7760 46.1571 0.0000 173.3675 30 Q 4.6378 7.7587 120.0289 52.9604 31.5524 172.8487 31 P 4.9739 0.0000 0.0000 62.9219 32.1825 175.4315 32 M 4.8668 9.4603 123.4596 54.3135 36.4178 173.5944 33 T 4.8290 8.4858 121.6445 62.9027 70.5244 173.4476 34 F 5.0096 9.6359 125.3027 55.6444 41.9534 174.3848 35 R 4.9411 8.9972 124.0129 54.5887 31.9331 175.2074 36 L 4.3857 8.6471 127.4176 54.3276 42.3413 177.2666 37 L 3.9038 8.3872 124.7555 56.0796 42.2193 178.0968 38 L 4.0976 8.9050 121.0050 54.8240 39.2288 173.9451 39 V 4.9694 7.2732 109.7991 59.5246 35.1593 174.8557 40 D 5.0397 9.3197 123.9801 52.8884 43.1817 175.4126 41 T 4.7468 8.3915 113.8542 59.0994 70.7834 173.0667 42 P 4.4336 0.0000 0.0000 62.9752 32.1885 175.6215 43 E 4.6566 10.4398 121.9844 54.9550 31.8106 177.0480 44 T 4.0692 8.4209 110.1914 62.4996 69.6018 175.0525 45 K 4.3279 7.4376 119.7929 55.6425 34.4125 172.2889 46 H 4.4539 8.7050 122.1304 55.5831 27.6961 174.4146 47 P 4.5116 0.0000 0.0000 63.5555 32.0928 177.1228 48 K 4.0094 8.2111 119.0278 59.0589 31.9292 177.5171 49 K 4.5511 7.5368 112.8709 54.8033 35.7126 178.5090 50 G 3.6810 8.8857 109.5618 46.5791 0.0000 176.7243 51 V 4.2064 8.7295 129.6210 61.3883 31.8309 174.2560 52 E 4.3604 9.0307 128.5115 55.1551 31.2569 176.2973 53 K 4.0958 8.3303 122.9129 57.9918 32.6686 176.6684 54 Y 4.3681 8.1201 122.7390 59.3080 35.9185 171.3589 55 G 3.5707 8.1841 107.9466 47.4182 0.0000 174.2846 56 P 4.2893 0.0000 0.0000 65.0279 31.3673 178.6607 57 E 3.9979 8.1842 116.7008 59.3579 29.5541 178.9524 58 A 4.0041 8.4716 121.2661 55.2778 18.4283 179.6714 59 S 4.1374 8.5468 111.7830 61.4852 62.4239 176.2303 60 A 4.0303 8.3880 123.8335 54.9031 18.0993 179.3235 61 F 3.9201 8.3903 119.1659 61.8588 39.4483 177.4729 62 T 3.9523 8.1983 115.2710 66.4371 68.2698 176.2729 63 K 3.8351 8.0056 121.4456 59.6898 32.2271 178.6934 64 K 3.8441 8.2956 118.8358 59.8742 31.7726 179.0621 65 M 3.9224 7.7246 117.0557 58.4308 32.2653 178.2059 66 V 3.8635 8.0422 112.6714 63.9035 31.7128 178.3723 67 E 4.0192 8.6392 117.9615 58.6896 29.3468 177.9821 68 N 4.6729 7.8367 113.8837 52.2462 39.2243 175.1265 69 A 4.5334 6.9466 124.1515 51.6810 19.4875 178.2009 70 K 4.2132 8.7115 119.8509 58.3121 32.8243 178.2150 71 K 4.6779 8.6016 117.7592 54.5641 36.1833 175.6485 72 I 5.0405 8.4192 124.8965 59.6506 40.0619 174.4176 73 E 5.1502 9.1282 124.5616 54.6894 33.8286 175.0561 74 V 4.6486 9.1617 116.4631 59.4909 35.2091 174.6766 75 E 5.0433 8.8526 124.2784 54.4264 32.0849 175.1035 76 F 4.7313 8.8318 125.6926 57.5508 40.2072 175.4711 77 D 4.9396 8.5035 120.4339 53.2757 43.0799 175.9266 78 K 4.3377 8.9889 117.9429 57.7095 33.1635 178.7025 79 G 4.2013 8.4251 110.3246 44.6756 0.0000 174.0117 80 Q 4.0762 8.6457 122.6473 56.4512 29.2383 176.7325 81 R 4.4784 8.4330 118.4633 56.4318 31.0746 175.8485 82 T 5.0801 7.4490 107.0186 59.7281 72.1388 172.9452 83 D 4.8607 8.2842 122.5184 51.5398 41.7612 176.8468 84 K 3.9719 8.3054 116.6818 59.0045 32.7771 176.8923 85 Y 4.3125 7.9949 116.2934 57.8549 38.0595 176.2518 86 G 3.9363 8.2602 108.5826 45.1972 0.0000 173.9427 87 R 4.3313 8.2655 119.6770 55.1290 31.6537 176.5789 88 G 3.6360 8.3779 110.7234 46.2994 0.0000 172.4410 89 L 5.3314 8.8194 123.2443 53.1471 43.2281 175.6960 90 A 4.5023 8.3526 124.6930 50.9805 23.5317 174.1227 91 Y 4.8773 8.7244 117.6129 57.1934 39.8233 175.0693 92 I 4.8411 8.7443 124.3393 59.6363 40.5480 174.0832 93 Y 5.0864 9.0406 123.6023 56.0336 41.3425 174.5154 94 A 4.9207 8.9614 125.4962 50.1438 21.4286 176.2566 95 D 4.3654 9.8989 125.6647 55.8892 38.9267 175.4649 96 G 3.9814 8.2100 104.5626 45.4245 0.0000 173.0198 97 K 4.5413 7.7753 120.3486 54.6207 33.7022 175.4636 98 M 3.8968 8.5627 123.8120 55.2098 33.2613 176.9907 99 V 3.6601 8.7947 126.9415 66.0842 31.6099 177.7642 100 N 4.3225 8.0091 115.8432 56.3611 38.4732 176.8233 101 E 3.8894 8.0760 119.8817 59.1069 29.8777 178.3124 102 A 4.0861 8.0630 120.8742 55.3174 18.3624 179.6221 103 L 3.4295 7.9716 117.3467 57.7941 41.6888 180.0020 104 V 3.7187 7.4966 118.2853 65.9563 31.2615 178.0759 105 R 3.9525 8.3334 117.8963 59.0045 29.9539 177.5080 106 Q 4.3636 7.5943 114.9102 54.8890 29.0857 175.8251 107 G 3.8384 8.0477 108.6727 46.9012 0.0000 174.8066 108 L 4.6620 7.7291 116.6275 53.7048 42.4924 176.2069 109 A 4.6154 7.4697 118.5199 51.0586 22.0843 176.2456 110 K 4.8348 8.6646 119.3148 54.4506 35.3698 176.1033 111 V 4.2474 9.0491 123.1876 62.9384 31.9469 176.0422 112 A 4.5909 8.9493 130.4010 51.1298 19.7158 176.3766 113 Y 3.8067 8.5285 120.4564 57.7433 39.2849 175.3789 114 V 4.0479 7.1628 126.4249 61.5252 33.2482 174.5151 115 Y 4.6972 8.1927 123.2575 55.8601 39.4905 175.6702 116 K 4.5510 8.6467 124.9210 56.0514 32.7747 174.9319 117 P 4.7871 0.0000 0.0000 63.1614 31.8464 177.0340 118 N 4.9322 8.0056 118.4687 52.5370 36.9344 175.0206 119 N 5.1697 7.7229 113.6707 52.7057 38.9370 177.6889 120 S 4.0983 8.7693 117.9121 62.4232 63.1427 175.2239 121 H 4.8610 7.8038 114.8329 55.6757 28.9047 176.4296 122 E 3.9783 8.3466 123.4035 59.6057 29.2969 178.9757 123 Q 3.9495 7.9981 117.4645 59.1974 28.7812 177.8036 124 H 4.1248 8.2817 118.7393 59.5002 29.7427 177.0746 125 L 3.9316 8.0680 120.5434 57.8706 41.4130 179.7355 126 R 3.9071 8.3615 118.3533 59.0741 30.0259 179.3054 127 K 3.9599 8.2485 118.6219 59.4807 32.0117 179.6116 128 S 4.1418 7.7851 115.4176 61.3148 62.7250 176.2885 129 E 3.9652 8.5467 122.3532 59.1596 29.3870 178.7421 130 A 3.7917 8.1304 121.0409 54.9683 18.3462 179.4436 131 Q 3.8196 7.9453 117.5009 59.2568 29.1784 178.2734 132 A 4.0086 8.0957 121.8851 54.9074 18.3690 179.5614 133 K 3.2860 7.6554 118.2455 59.2843 31.9232 179.0591 134 K 3.9086 7.7102 118.8189 58.9843 32.1917 177.7236 135 E 4.2617 8.0985 116.2620 55.1983 30.3828 175.9956 136 K 4.0732 7.8912 118.4840 57.2563 30.5787 175.0690 137 L 4.3826 8.1252 117.9531 55.4904 44.4604 178.1414 138 N 3.8205 9.4403 119.8357 54.1618 37.7590 176.6675 139 I 3.1144 5.4200 121.7100 63.5388 38.1829 177.5554 140 W 4.8341 7.6824 120.0805 56.5462 29.1628 176.4143 141 S 4.7560 8.0810 119.3233 57.9539 62.6116 173.9580 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 7 L 8.17 4.38 0.00 1.70 1.73 1.02 0.84 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 8 H 8.02 4.94 0.00 3.24 3.24 0.00 5.52 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.45 4.70 0.00 1.59 1.70 0.00 1.44 0.00 0.00 1.43 0.00 0.00 2.13 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.07 1.29 7.81 10 E 9.21 5.01 0.00 2.14 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 2.40 2.43 0.00 11 P 0.00 4.99 0.00 2.10 2.07 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 12 A 8.47 4.97 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 13 T 8.54 4.65 4.27 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 1.23 0.00 0.00 14 L 8.69 4.22 0.00 1.63 1.57 0.91 1.01 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 15 I 8.54 4.36 2.03 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.85 0.94 0.00 0.00 16 K 7.52 4.42 0.00 1.79 1.60 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.39 7.81 17 A 8.78 4.50 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 18 I 8.02 4.21 1.99 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 1.19 0.69 0.90 0.00 0.00 19 D 7.52 4.40 0.00 2.59 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.00 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 21 D 8.05 4.90 0.00 2.84 2.87 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 22 T 7.82 5.18 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 1.27 0.00 0.00 23 V 8.76 4.79 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.94 0.00 0.00 24 K 9.47 5.05 0.00 1.84 1.84 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.46 7.81 25 L 9.19 5.32 0.00 1.75 1.53 0.31 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.38 4.86 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.56 0.00 27 Y 9.00 5.01 0.00 3.27 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 28 K 9.20 3.35 0.00 1.50 1.66 0.00 1.75 0.00 0.00 1.45 0.00 0.00 2.13 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.30 1.07 7.81 29 G 8.38 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 30 Q 7.76 4.64 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.95 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 31 P 0.00 4.97 0.00 2.02 2.02 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 32 M 9.46 4.87 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.29 0.00 33 T 8.49 4.83 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 34 F 9.64 5.01 0.00 3.01 2.88 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 0.00 0.00 0.00 35 R 9.00 4.94 0.00 1.89 1.92 0.00 3.35 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 36 L 8.65 4.39 0.00 1.57 1.60 0.99 1.27 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 37 L 8.39 3.90 0.00 1.19 1.19 0.35 0.25 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 38 L 8.91 4.10 0.00 2.04 1.95 1.17 1.03 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 39 V 7.27 4.97 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 0.82 0.00 0.00 0.94 0.00 0.00 40 D 9.32 5.04 0.00 2.53 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 41 T 8.39 4.75 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 42 P 0.00 4.43 0.00 2.31 2.09 0.00 3.52 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 2.13 2.06 0.00 43 E 10.44 4.66 0.00 2.11 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 2.22 2.36 0.00 44 T 8.42 4.07 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 45 K 7.44 4.33 0.00 1.93 1.71 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.36 7.81 46 H 8.70 4.45 0.00 3.35 3.39 0.00 5.63 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.51 0.00 2.17 2.16 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.98 0.00 48 K 8.21 4.01 0.00 1.69 1.91 0.00 1.57 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.40 7.81 49 K 7.54 4.55 0.00 1.79 1.84 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.29 1.34 7.81 50 G 8.89 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 0.00 0.00 0.00 51 V 8.73 4.21 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 0.81 0.00 0.00 0.97 0.00 0.00 52 E 9.03 4.36 0.00 1.95 1.85 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 2.32 2.42 0.00 53 K 8.33 4.10 0.00 1.67 1.69 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.30 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.26 0.89 7.81 54 Y 8.12 4.37 0.00 3.20 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 55 G 8.18 3.57 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 0.00 0.00 0.00 56 P 0.00 4.29 0.00 2.16 2.12 0.00 3.58 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 57 E 8.18 4.00 0.00 2.37 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 0.00 2.55 2.51 0.00 58 A 8.47 4.00 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 59 S 8.55 4.14 0.00 3.90 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 60 A 8.39 4.03 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 61 F 8.39 3.92 0.00 3.30 3.20 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 62 T 8.20 3.95 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 63 K 8.01 3.84 0.00 1.93 2.02 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.57 7.81 64 K 8.30 3.84 0.00 1.95 1.71 0.00 1.59 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.45 7.81 65 M 7.72 3.92 0.00 1.93 1.71 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 66 V 8.04 3.86 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 0.75 0.00 0.00 1.02 0.00 0.00 67 E 8.64 4.02 0.00 1.91 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 2.34 2.52 0.00 68 N 7.84 4.67 0.00 2.76 2.80 0.00 0.00 6.99 6.99 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 69 A 6.95 4.53 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 70 K 8.71 4.21 0.00 1.85 1.87 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.40 7.81 71 K 8.60 4.68 0.00 1.66 1.65 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.39 7.81 72 I 8.42 5.04 1.85 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 1.32 1.25 0.85 0.00 0.00 73 E 9.13 5.15 0.00 1.91 1.78 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 2.21 2.26 0.00 74 V 9.16 4.65 1.35 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 -0.08 0.00 0.00 0.58 0.00 0.00 75 E 8.85 5.04 0.00 2.25 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 0.00 2.45 2.53 0.00 76 F 8.83 4.73 0.00 3.00 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 77 D 8.50 4.94 0.00 2.72 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 78 K 8.99 4.34 0.00 1.79 1.88 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.44 7.81 79 G 8.43 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 0.00 0.00 0.00 80 Q 8.65 4.08 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 81 R 8.43 4.48 0.00 1.57 1.32 0.00 2.69 0.00 0.00 2.29 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00 82 T 7.45 5.08 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 1.13 0.00 0.00 83 D 8.28 4.86 0.00 2.93 2.87 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 84 K 8.31 3.97 0.00 1.60 1.76 0.00 1.26 0.00 0.00 1.50 0.00 0.00 2.42 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.00 0.37 7.81 85 Y 7.99 4.31 0.00 3.14 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.26 3.94 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 0.00 87 R 8.27 4.33 0.00 2.05 1.88 0.00 3.13 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 88 G 8.38 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 0.00 0.00 0.00 89 L 8.82 5.33 0.00 1.56 1.62 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.35 4.50 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.72 4.88 0.00 2.96 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 92 I 8.74 4.84 1.76 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 0.89 0.55 0.81 0.00 0.00 93 Y 9.04 5.09 0.00 2.80 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 94 A 8.96 4.92 1.20 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 0.00 0.00 95 D 9.90 4.37 0.00 2.75 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 96 G 8.21 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 97 K 7.78 4.54 0.00 2.03 1.77 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.39 7.81 98 M 8.56 3.90 0.00 1.92 1.59 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.47 0.00 99 V 8.79 3.66 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 1.04 0.00 0.00 0.95 0.00 0.00 100 N 8.01 4.32 0.00 2.89 2.92 0.00 0.00 6.78 7.66 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 0.00 101 E 8.08 3.89 0.00 1.96 1.92 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 2.25 2.18 0.00 102 A 8.06 4.09 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 0.00 103 L 7.97 3.43 0.00 1.83 1.59 0.98 0.60 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 0.00 104 V 7.50 3.72 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.97 0.00 0.00 105 R 8.33 3.95 0.00 1.99 2.08 0.00 3.34 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 106 Q 7.59 4.36 0.00 1.65 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.36 0.00 0.00 0.00 0.00 0.00 2.41 2.20 0.00 107 G 8.05 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 7.73 4.66 0.00 1.25 1.45 0.54 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.47 4.62 1.15 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 0.00 0.00 110 K 8.66 4.83 0.00 1.74 1.95 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.75 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.33 1.20 7.81 111 V 9.05 4.25 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 0.77 0.00 0.00 0.96 0.00 0.00 112 A 8.95 4.59 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 0.00 113 Y 8.53 3.81 0.00 2.90 2.77 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 0.00 114 V 7.16 4.05 1.81 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 0.84 0.00 0.00 0.90 0.00 0.00 115 Y 8.19 4.70 0.00 3.16 2.88 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 0.00 0.00 0.00 116 K 8.65 4.55 0.00 1.79 1.78 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.44 7.81 117 P 0.00 4.79 0.00 2.21 2.15 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 118 N 8.01 4.93 0.00 2.98 2.89 0.00 0.00 6.62 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 0.00 119 N 7.72 5.17 0.00 2.96 2.97 0.00 0.00 6.10 7.80 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 0.00 120 S 8.77 4.10 0.00 3.81 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 0.00 121 H 7.80 4.86 0.00 2.94 3.12 0.00 5.62 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.35 3.98 0.00 2.16 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 2.29 2.35 0.00 123 Q 8.00 3.95 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.64 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 124 H 8.28 4.12 0.00 3.22 3.46 0.00 5.87 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 0.00 125 L 8.07 3.93 0.00 1.98 1.71 1.03 0.75 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 0.00 126 R 8.36 3.91 0.00 1.95 1.94 0.00 3.09 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 127 K 8.25 3.96 0.00 1.93 1.83 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.58 7.81 128 S 7.79 4.14 0.00 3.87 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 0.00 129 E 8.55 3.97 0.00 2.05 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 2.21 2.57 0.00 130 A 8.13 3.79 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 0.00 131 Q 7.95 3.82 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 132 A 8.10 4.01 1.56 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 0.00 133 K 7.66 3.29 0.00 0.79 1.42 0.00 1.16 0.00 0.00 1.07 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.07 1.01 7.81 134 K 7.71 3.91 0.00 1.71 1.99 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.44 7.81 135 E 8.10 4.26 0.00 1.98 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 2.30 2.47 0.00 136 K 7.89 4.07 0.00 2.00 1.91 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.40 7.81 137 L 8.13 4.38 0.00 1.80 1.69 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 138 N 9.44 3.82 0.00 2.65 1.66 0.00 0.00 6.89 7.25 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 0.00 139 I 5.42 3.11 1.19 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 -0.36 0.36 0.00 0.00 140 W 7.68 4.83 0.00 3.31 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 0.00 141 S 8.08 4.76 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00