NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4649 8.4045 118.8060 54.5646 33.1897 174.5944 2 I 4.4046 8.0161 112.5591 59.5298 37.7165 169.3318 3 I 4.2933 9.0549 125.4476 61.2853 38.8394 176.9276 4 E 5.1835 8.8323 121.2055 55.3533 32.3151 173.2446 5 R 5.0194 7.5914 113.7850 54.8361 33.3819 180.4193 6 L 4.4420 8.4560 121.9689 54.2555 42.3820 177.2368 7 V 4.2956 8.1304 120.8914 62.4890 32.4134 176.9420 8 G 3.8182 8.3041 108.4564 44.5365 0.0000 172.2765 9 N 5.4332 7.9085 116.2178 51.4187 42.5517 175.8217 10 L 4.0717 8.8205 123.0591 57.4581 41.9241 180.0387 11 R 3.8574 9.0008 116.1928 59.2130 29.9984 178.0836 12 D 4.6369 8.3314 121.1302 56.5656 37.5531 175.8649 13 L 4.0886 6.5901 118.0386 55.0843 43.8327 176.2086 14 N 4.4541 8.6932 119.8099 53.4541 34.4118 172.6310 15 P 4.3511 0.0000 0.0000 63.1058 32.1367 176.5024 16 L 3.9038 9.1095 114.4083 55.9666 38.3177 172.8544 17 D 4.8957 8.5164 122.9097 53.7591 40.0039 174.3474 18 F 4.9158 7.8127 113.9928 55.7053 43.1284 175.9144 19 S 4.5516 8.8730 116.5604 57.2623 61.8707 171.4238 20 V 4.3761 8.0571 124.3663 61.6960 32.2311 174.3088 21 D 4.8510 9.3265 128.4732 53.5231 43.3409 174.6386 22 H 5.4153 8.5844 119.8557 54.0049 32.6912 172.6867 23 V 4.3613 8.7910 122.1472 61.7569 33.2637 174.4042 24 D 5.1242 8.5577 127.7060 53.0123 41.8382 175.4637 25 L 4.7524 8.8929 124.8488 52.3989 44.4123 176.8122 26 E 3.9485 9.1539 122.9794 55.7453 29.7932 178.4388 27 W 4.3494 8.4133 119.0183 59.4644 28.3617 178.0072 28 F 4.1754 6.2359 111.9840 58.2642 37.5952 175.4310 29 E 4.4195 7.7990 121.5490 56.6306 29.6143 177.5016 30 T 4.1520 7.6914 109.6440 63.1197 69.0757 175.8284 31 R 4.4561 7.9066 122.3814 56.2594 30.9674 177.1005 32 K 3.8621 7.7156 122.8044 56.1982 32.1613 182.3212 33 K 4.6025 8.8026 126.0399 54.8282 34.3947 173.2377 34 I 5.4737 7.5206 119.1677 58.9155 40.0212 175.0555 35 A 4.3128 7.9021 126.8334 51.5032 22.6555 174.2443 36 R 4.7298 8.1331 115.0654 54.5343 31.5339 175.4695 37 F 5.1149 9.1467 123.7776 56.1222 43.2016 174.6577 38 K 5.2272 8.5454 123.1382 53.6028 34.4237 176.4697 39 T 4.3055 8.7504 116.1234 59.8843 69.9556 175.5731 40 R 3.8859 8.5296 121.6346 59.6526 29.9343 177.2312 41 Q 4.1679 8.3344 113.8590 56.1059 28.6215 176.8384 42 G 3.8957 8.6721 109.3803 45.6296 0.0000 174.8883 43 K 4.1401 7.6130 123.3989 55.4211 32.9893 180.1708 44 D 5.1759 8.5379 122.8206 53.1009 42.1994 176.1102 45 I 4.7941 9.1090 123.8338 59.3625 41.7669 174.0901 46 A 5.1673 8.7075 127.3673 50.0108 21.9729 174.6408 47 I 4.8029 9.0701 119.6737 60.1407 40.1864 175.9097 48 R 5.0184 8.7260 126.9718 54.8461 30.9571 170.3149 49 L 4.7311 9.0860 127.3203 54.3935 43.1320 176.9745 50 K 4.3513 8.8062 126.6381 53.6935 33.3003 175.6692 51 D 4.2737 8.6245 126.2162 53.9389 37.1439 174.5495 52 A 4.1660 7.6696 121.2529 51.2206 19.7367 176.1242 53 P 4.3710 0.0000 0.0000 62.9920 32.0265 178.2630 54 K 3.8985 8.8470 123.5669 57.7843 31.6362 175.8342 55 L 4.1237 7.7976 116.7970 55.6062 41.8604 175.7249 56 G 3.8747 7.6951 103.7223 43.7082 0.0000 173.2357 57 L 4.2327 8.4505 119.6893 54.4409 42.3694 177.4481 58 S 4.8961 10.1390 119.4019 56.1647 65.2151 173.4405 59 Q 4.0294 9.0871 123.3859 58.1921 29.1078 177.3817 60 G 3.9285 9.2294 112.7651 45.4075 0.0000 172.5021 61 D 4.8294 7.8798 121.1330 54.3215 42.0296 175.6722 62 I 4.3347 8.8478 126.1032 61.1947 37.5645 176.8682 63 L 4.3694 8.9297 127.9591 56.3803 42.7259 177.1219 64 F 4.5365 7.9144 120.7390 57.8181 42.8939 173.6560 65 K 5.1217 8.4083 129.2624 54.1322 35.1042 173.0799 66 E 4.5485 9.0928 126.4616 54.4553 32.9372 177.5486 67 E 3.9086 8.9660 129.9517 58.3799 27.5339 176.8354 68 K 4.5971 8.9945 132.0341 55.1136 32.7911 175.3552 69 E 5.1015 8.2071 121.0131 56.3092 30.9759 174.9738 70 I 5.1612 8.6514 127.4377 59.5833 40.9386 174.4263 71 I 4.9620 8.6472 125.8880 59.5894 39.9353 174.6420 72 A 5.1746 8.6831 126.9573 49.9388 23.3822 174.9932 73 V 3.9782 8.6132 119.9677 62.6042 32.9844 174.3682 74 N 5.2160 9.5706 127.8304 51.8798 41.1394 173.1006 75 I 4.5966 9.3664 128.6496 60.1646 38.1840 175.9458 76 L 4.1457 9.2050 129.4465 54.4800 41.9168 177.0183 77 D 4.8842 8.7787 123.5578 55.5471 41.8013 175.7001 78 S 4.7245 9.1588 114.8702 57.0814 67.5605 172.6380 79 E 4.5483 8.7510 119.5081 56.3638 30.5087 176.5743 80 V 4.7854 9.0915 124.0871 61.3058 35.6128 173.9081 81 I 4.4552 8.9020 129.3341 61.1612 38.7070 174.5498 82 H 4.6340 9.1996 125.2115 54.2789 30.3630 173.5780 83 I 4.6586 9.0001 125.9539 60.3490 38.7552 175.0756 84 Q 5.0670 9.3075 128.8050 54.2676 30.1320 174.5455 85 A 4.6492 9.5399 131.7085 52.1035 19.0449 178.2750 86 K 4.0387 10.6209 123.4939 56.4879 32.5176 176.4920 87 S 4.7778 7.6404 110.6150 56.7394 67.0012 175.2160 88 V 3.8801 8.7116 120.5385 65.8657 31.1391 177.6334 89 A 3.9981 8.0359 120.2541 55.3084 18.3502 179.1467 90 E 3.9554 8.3070 117.7960 59.1142 29.5740 178.9624 91 V 3.5347 8.5369 118.7736 66.0681 31.4802 177.9451 92 A 3.9290 8.1423 120.3717 54.7701 18.1928 179.5611 93 K 3.8925 8.0647 118.1586 59.7704 32.3334 178.6812 94 I 3.6111 8.0511 120.4496 65.1396 37.0609 178.2101 95 C 3.9406 8.1551 117.1442 62.7242 27.9246 175.7217 96 Y 4.0271 8.2481 121.5077 60.6368 38.5480 177.5996 97 E 3.7442 8.7250 119.9332 59.3250 29.5463 179.3882 98 I 3.7103 7.9129 120.0985 64.3374 36.9509 178.5512 99 G 3.6345 7.8601 105.4538 47.9059 0.0000 174.8391 100 N 4.1497 7.3763 118.2143 56.2886 39.1621 176.6043 101 R 3.9214 7.6240 118.5331 57.1604 30.0311 177.3556 102 H 4.2123 7.7038 113.4224 55.7938 27.2906 174.7195 103 A 4.0409 7.3298 122.1773 52.1542 18.7974 177.5107 104 A 4.3085 8.2323 122.0685 51.9531 19.6610 177.0405 105 L 4.9795 7.7269 120.9676 53.8253 46.0389 174.4311 106 Y 5.1401 9.3632 122.1757 56.0159 42.3529 174.5466 107 Y 4.2469 8.6257 120.4921 58.5191 38.6514 177.1756 108 G 3.9500 8.1116 114.0745 44.9423 0.0000 174.7029 109 E 4.6262 8.4790 120.5758 55.2003 30.4586 171.4264 110 S 4.6958 7.3295 112.6690 58.1479 65.6212 175.4140 111 Q 3.8146 8.8833 120.3881 58.8006 28.6757 177.9787 112 F 4.8072 8.3840 113.9762 57.0517 39.0863 174.0012 113 E 5.2573 7.7377 122.5189 54.8792 31.9258 174.7996 114 F 4.9282 8.9901 122.6945 56.1596 44.5106 173.4302 115 K 5.0816 9.7020 120.0147 55.0969 35.8849 175.4652 116 T 4.9098 8.5824 118.1724 59.3106 71.1696 171.3488 117 P 4.5543 0.0000 0.0000 62.8824 32.2743 175.6093 118 F 4.5205 8.5100 124.1687 58.2556 40.3499 175.0105 119 E 4.2394 7.9219 125.8715 54.4136 33.8677 176.2228 120 K 3.5411 8.6577 129.3087 59.6436 31.6090 174.3617 121 P 4.3609 0.0000 0.0000 65.7754 31.2407 178.6712 122 T 3.7950 7.7232 113.7805 66.7345 68.2988 176.1785 123 L 3.9537 7.7027 121.7579 57.5131 42.0749 178.7334 124 A 3.9243 8.3042 121.3829 55.0222 18.3947 178.9699 125 L 3.8332 8.2294 119.1589 58.6736 42.0175 179.3668 126 L 4.1509 8.1271 121.0693 58.3194 41.4802 180.1237 127 E 4.0610 8.6021 120.9651 61.4694 29.5215 181.8071 128 K 4.0963 8.2906 124.3135 59.8863 31.8559 180.3969 129 L 4.4727 8.3178 117.0125 54.2467 41.6736 177.1415 130 G 4.0218 8.1438 107.5416 46.3256 0.0000 173.7106 131 V 4.1029 7.8770 118.5130 61.4135 33.0692 175.4019 132 Q 4.3382 8.6390 128.9554 56.2352 29.8694 174.3465 133 N 6.1046 8.6883 124.7453 52.5730 40.6889 174.4046 134 R 4.7761 8.5048 119.5189 55.0507 33.7832 175.3858 135 V 4.5547 8.4318 123.0124 61.9004 32.6869 175.1793 136 L 4.7378 8.8352 126.2800 53.2031 46.6701 175.0355 137 S 5.0034 8.6213 117.7498 58.2406 63.2001 173.1012 138 S 4.6623 8.7767 122.1195 57.9037 66.5133 172.9174 139 K 4.6021 8.4781 121.3503 54.8542 33.1371 176.8555 140 L 3.6606 8.0408 127.5065 53.4640 40.2386 175.5662 141 D 4.4781 8.0910 123.3054 53.7604 42.2416 176.9754 142 S 4.4132 9.2235 123.2428 61.8281 62.9389 176.8293 143 K 4.0567 7.9667 117.2147 59.0223 32.4771 177.2208 144 E 4.7227 8.3735 118.8589 56.0555 29.7719 175.8512 145 R 3.6845 8.1784 119.9731 55.8343 30.9979 175.9179 146 L 4.3953 7.9708 122.9800 54.0646 41.9275 177.9928 147 T 3.7140 8.3982 114.6611 64.3410 69.1674 173.7598 148 V 3.6143 7.2599 125.4659 62.4752 33.0619 172.0527 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 8.40 4.46 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 I 8.02 4.40 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.09 0.91 0.00 0.00 3 I 9.05 4.29 1.97 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.72 1.00 0.00 0.00 4 E 8.83 5.18 0.00 1.85 1.89 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 2.19 1.78 0.00 5 R 7.59 5.02 0.00 1.75 1.65 0.00 3.23 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.20 0.00 6 L 8.46 4.44 0.00 1.63 1.63 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.13 4.30 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 0.73 0.00 0.00 0.93 0.00 0.00 8 G 8.30 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.91 5.43 0.00 2.63 2.62 0.00 0.00 7.14 7.44 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 10 L 8.82 4.07 0.00 1.68 1.69 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 11 R 9.00 3.86 0.00 1.87 2.25 0.00 3.07 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 12 D 8.33 4.64 0.00 2.78 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 13 L 6.59 4.09 0.00 1.71 1.44 0.92 1.08 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 14 N 8.69 4.45 0.00 3.04 2.97 0.00 0.00 7.00 8.02 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 15 P 0.00 4.35 0.00 2.23 2.14 0.00 4.09 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.15 0.00 16 L 9.11 3.90 0.00 1.83 1.82 nan 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.52 4.90 0.00 2.80 2.54 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 0.00 18 F 7.81 4.92 0.00 2.87 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 19 S 8.87 4.55 0.00 3.95 3.81 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 20 V 8.06 4.38 2.05 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 0.56 0.00 0.00 0.96 0.00 0.00 21 D 9.33 4.85 0.00 2.73 2.41 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 22 H 8.58 5.42 0.00 3.10 3.08 0.00 5.85 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.79 4.36 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 0.33 0.00 0.00 0.87 0.00 0.00 24 D 8.56 5.12 0.00 2.53 2.54 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 0.00 25 L 8.89 4.75 0.00 1.40 1.37 0.77 0.07 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 26 E 9.15 3.95 0.00 1.16 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 2.14 1.97 0.00 27 W 8.41 4.35 0.00 3.64 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 28 F 6.24 4.18 0.00 2.76 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 0.00 0.00 0.00 0.00 29 E 7.80 4.42 0.00 1.86 2.01 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 2.25 1.67 0.00 30 T 7.69 4.15 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 1.35 0.00 0.00 31 R 7.91 4.46 0.00 1.88 2.05 0.00 3.29 0.00 0.00 3.47 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 32 K 7.72 3.86 0.00 1.73 1.64 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.29 7.81 33 K 8.80 4.60 0.00 1.42 1.82 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.79 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.01 7.81 34 I 7.52 5.47 1.85 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.50 0.93 0.00 0.00 35 A 7.90 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.13 4.73 0.00 1.67 1.75 0.00 2.94 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.48 0.00 37 F 9.15 5.11 0.00 3.05 2.95 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 0.00 0.00 0.00 38 K 8.55 5.23 0.00 1.50 1.55 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.24 0.96 7.81 39 T 8.75 4.31 4.42 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 1.24 0.00 0.00 40 R 8.53 3.89 0.00 1.99 2.00 0.00 3.27 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 41 Q 8.33 4.17 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.54 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 42 G 8.67 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 43 K 7.61 4.14 0.00 1.42 1.71 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.37 1.30 7.81 44 D 8.54 5.18 0.00 2.55 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 45 I 9.11 4.79 1.98 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.01 1.08 0.00 0.00 46 A 8.71 5.17 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 47 I 9.07 4.80 1.97 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.07 1.12 0.00 0.00 48 R 8.73 5.02 0.00 1.49 1.80 0.00 3.26 0.00 0.00 3.17 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.45 0.00 49 L 9.09 4.73 0.00 1.55 1.65 0.98 0.71 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 50 K 8.81 4.35 0.00 1.48 1.59 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.29 1.26 7.81 51 D 8.62 4.27 0.00 2.84 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 52 A 7.67 4.17 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 53 P 0.00 4.37 0.00 2.26 2.22 0.00 3.75 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 2.25 1.98 0.00 54 K 8.85 3.90 0.00 1.79 1.79 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.05 7.81 55 L 7.80 4.12 0.00 1.67 1.82 0.95 1.06 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 56 G 7.70 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 57 L 8.45 4.23 0.00 1.66 1.61 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 58 S 10.14 4.90 0.00 4.00 3.81 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 59 Q 9.09 4.03 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.74 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 60 G 9.23 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 61 D 7.88 4.83 0.00 2.76 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 62 I 8.85 4.33 1.93 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.03 0.97 0.00 0.00 63 L 8.93 4.37 0.00 1.71 1.83 0.97 0.89 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 64 F 7.91 4.54 0.00 3.14 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.41 5.12 0.00 1.52 1.53 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.67 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.25 1.03 7.81 66 E 9.09 4.55 0.00 2.32 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 2.01 2.18 0.00 67 E 8.97 3.91 0.00 2.21 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 2.24 2.28 0.00 68 K 8.99 4.60 0.00 1.66 1.77 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 0.97 7.81 69 E 8.21 5.10 0.00 2.16 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 2.23 2.31 0.00 70 I 8.65 5.16 1.82 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.63 0.86 0.00 0.00 71 I 8.65 4.96 1.88 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.60 0.87 0.00 0.00 72 A 8.68 5.17 1.13 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 0.00 0.00 73 V 8.61 3.98 2.20 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 0.90 0.00 0.00 0.92 0.00 0.00 74 N 9.57 5.22 0.00 2.68 2.87 0.00 0.00 6.81 7.70 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 75 I 9.37 4.60 1.99 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.66 0.95 0.00 0.00 76 L 9.21 4.15 0.00 1.41 1.60 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.78 4.88 0.00 2.53 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 78 S 9.16 4.72 0.00 3.94 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 79 E 8.75 4.55 0.00 1.93 1.77 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 2.35 2.14 0.00 80 V 9.09 4.79 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 0.85 0.00 0.00 0.87 0.00 0.00 81 I 8.90 4.46 2.02 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.12 0.97 0.00 0.00 82 H 9.20 4.63 0.00 3.27 3.28 0.00 5.60 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 9.00 4.66 2.14 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.88 1.03 0.00 0.00 84 Q 9.31 5.07 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 85 A 9.54 4.65 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 86 K 10.62 4.04 0.00 1.80 1.73 0.00 1.84 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.24 7.81 87 S 7.64 4.78 0.00 4.07 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 88 V 8.71 3.88 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 1.07 0.00 0.00 1.06 0.00 0.00 89 A 8.04 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.31 3.96 0.00 2.13 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 2.35 2.35 0.00 91 V 8.54 3.53 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 0.95 0.00 0.00 1.23 0.00 0.00 92 A 8.14 3.93 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 93 K 8.06 3.89 0.00 1.87 1.83 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.54 7.81 94 I 8.05 3.61 1.84 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 1.52 0.41 0.78 0.00 0.00 95 C 8.16 3.94 0.00 2.86 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 96 Y 8.25 4.03 0.00 3.03 3.16 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 97 E 8.72 3.74 0.00 2.13 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 2.23 2.36 0.00 98 I 7.91 3.71 1.75 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.53 0.83 0.00 0.00 99 G 7.86 3.63 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 0.00 0.00 0.00 100 N 7.38 4.15 0.00 2.55 2.64 0.00 0.00 7.18 7.57 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 0.00 101 R 7.62 3.92 0.00 2.07 1.87 0.00 3.22 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 102 H 7.70 4.21 0.00 3.37 3.42 0.00 5.75 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 0.00 103 A 7.33 4.04 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 0.00 104 A 8.23 4.31 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 0.00 105 L 7.73 4.98 0.00 1.62 1.28 0.91 0.59 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 0.00 106 Y 9.36 5.14 0.00 2.82 2.84 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 0.00 107 Y 8.63 4.25 0.00 2.94 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 0.00 108 G 8.11 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.48 4.63 0.00 1.99 1.80 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 2.16 2.08 0.00 110 S 7.33 4.70 0.00 3.99 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 0.00 111 Q 8.88 3.81 0.00 2.20 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.35 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 112 F 8.38 4.81 0.00 3.13 3.35 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 0.00 113 E 7.74 5.26 0.00 2.24 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 2.17 2.44 0.00 114 F 8.99 4.93 0.00 3.09 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 0.00 115 K 9.70 5.08 0.00 1.56 1.48 0.00 1.40 0.00 0.00 1.46 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.97 1.26 7.81 116 T 8.58 4.91 4.29 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 1.21 0.00 0.00 117 P 0.00 4.55 0.00 2.00 2.06 0.00 3.76 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.35 0.00 118 F 8.51 4.52 0.00 3.06 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 0.00 119 E 7.92 4.24 0.00 1.88 1.62 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 2.27 2.29 0.00 120 K 8.66 3.54 0.00 1.75 1.85 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.14 7.81 121 P 0.00 4.36 0.00 2.07 2.08 0.00 3.40 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 2.05 2.14 0.00 122 T 7.72 3.80 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 1.15 0.00 0.00 123 L 7.70 3.95 0.00 1.66 1.69 0.99 1.29 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 0.00 124 A 8.30 3.92 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 0.00 125 L 8.23 3.83 0.00 1.67 1.88 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.13 4.15 0.00 1.85 1.71 0.95 0.84 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 0.00 127 E 8.60 4.06 0.00 1.97 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 2.24 2.19 0.00 128 K 8.29 4.10 0.00 1.79 1.78 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.38 7.81 129 L 8.32 4.47 0.00 1.69 1.75 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 130 G 8.14 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 0.00 0.00 0.00 131 V 7.88 4.10 2.19 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 0.79 0.00 0.00 0.95 0.00 0.00 132 Q 8.64 4.34 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.54 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 133 N 8.69 6.10 0.00 2.82 2.77 0.00 0.00 6.04 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 0.00 134 R 8.50 4.78 0.00 1.47 1.77 0.00 3.24 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.15 0.00 135 V 8.43 4.55 2.05 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 0.89 0.00 0.00 1.06 0.00 0.00 136 L 8.84 4.74 0.00 1.55 1.41 0.67 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 137 S 8.62 5.00 0.00 3.85 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 0.00 138 S 8.78 4.66 0.00 3.89 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 0.00 139 K 8.48 4.60 0.00 1.85 1.68 0.00 1.74 0.00 0.00 1.89 0.00 0.00 2.76 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.25 1.54 7.81 140 L 8.04 3.66 0.00 1.08 0.13 -0.14 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 141 D 8.09 4.48 0.00 2.75 2.59 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 0.00 142 S 9.22 4.41 0.00 4.07 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 0.00 143 K 7.97 4.06 0.00 1.94 2.00 0.00 1.60 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.66 1.47 7.81 144 E 8.37 4.72 0.00 2.38 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 0.00 2.39 2.32 0.00 145 R 8.18 3.68 0.00 1.74 1.71 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 1.27 0.50 0.00 146 L 7.97 4.40 0.00 1.52 1.45 0.66 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 147 T 8.40 3.71 4.25 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 1.24 0.00 0.00 148 V 7.26 3.61 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 0.70 0.00 0.00 0.91 0.00 0.00