NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4059 8.3044 120.3278 54.7728 33.4751 174.1618 2 E 3.8540 8.3210 120.7332 55.0101 30.1727 174.6034 3 A 4.0522 9.3398 129.7171 52.8291 19.8562 177.1881 4 L 4.0374 8.5410 122.5694 56.1247 42.0032 178.3018 5 G 3.8396 9.9495 104.4846 45.1508 0.0000 172.4548 6 A 4.6820 7.5198 117.4503 50.6973 22.3980 176.5410 7 D 4.6686 8.9710 122.5910 53.3956 42.1455 175.7574 8 V 4.4734 8.3991 123.9116 61.7012 33.4434 175.4848 9 T 4.4353 7.7241 122.1832 61.5304 69.3370 173.9545 10 Q 3.8580 8.8283 125.9079 56.5978 28.7477 177.7999 11 G 3.8765 8.7858 111.4334 45.7135 0.0000 172.5815 12 L 4.7859 7.9773 120.0319 52.8854 44.9096 174.9152 13 E 5.0113 8.5340 118.9549 53.9511 33.4365 175.1475 14 K 4.1938 8.1199 121.9307 58.1403 32.0665 176.7791 15 G 4.0829 8.7818 114.8797 45.0989 0.0000 173.7703 16 S 4.2837 8.0138 116.9179 58.5145 64.0869 173.3211 17 L 5.0245 8.4780 124.6699 53.7173 42.4781 175.7501 18 I 4.6606 9.0139 117.3232 59.1277 41.6589 174.4075 19 T 4.5254 8.5423 118.4906 62.9692 70.1840 174.4323 20 C 4.7969 8.3368 125.7840 57.2861 31.2554 174.1875 21 A 4.5254 8.3387 134.4499 49.9043 16.0514 174.5576 22 D 4.6609 7.6403 119.6172 53.5688 42.1764 175.7675 23 N 4.8309 8.4313 114.2318 52.7954 37.4661 176.7409 24 T 3.5558 7.5078 110.1692 63.9496 68.8586 174.8583 25 G 3.9368 7.5926 108.6934 45.2195 0.0000 173.0717 26 A 4.6162 7.4393 123.0004 51.6070 19.8588 176.7785 27 R 4.3877 8.9140 122.4080 57.5771 32.1200 176.1697 28 E 5.0877 8.0376 119.1232 54.2198 32.7324 174.2467 29 L 5.1475 8.9354 126.5150 52.7913 45.1673 175.1616 30 K 4.9172 8.7874 123.9048 54.3117 34.8615 175.3496 31 V 4.0055 8.5962 128.4541 63.6204 32.0034 175.6120 32 I 4.2061 8.8515 128.4824 62.7806 38.8634 175.7721 33 S 4.7549 7.7690 115.2020 57.0750 68.1676 172.8166 34 V 4.5584 8.1386 119.9994 61.0194 33.9900 174.3198 35 H 4.0815 9.0986 128.6452 57.7715 30.0646 174.9464 36 G 3.9161 8.6788 113.4927 46.3477 0.0000 172.0558 37 Y 4.6504 7.6210 119.8017 55.5116 40.3767 175.2468 38 S 4.3277 7.3121 119.9507 56.5860 65.7595 173.4610 39 G 3.9029 8.1664 124.1870 45.6705 0.0000 171.8762 40 T 4.6036 8.0518 116.2326 59.6136 70.8878 173.1725 41 K 4.0225 8.4142 125.4020 58.0342 32.3501 176.9120 42 N 4.5442 8.9592 121.7104 53.4789 37.0557 174.4150 43 R 4.1447 7.5209 118.6186 55.9110 30.7361 175.4179 44 H 4.5389 8.6937 123.0510 54.4910 29.5050 173.0401 45 P 4.6249 0.0000 0.0000 63.0848 31.9714 175.4782 46 K 4.5863 8.2393 124.2461 55.9141 34.1017 176.0182 47 A 4.6418 8.9699 124.2891 50.3767 22.7346 175.3596 48 G 4.4787 9.1355 107.1347 44.3184 0.0000 171.3174 49 L 4.1190 8.6897 122.3997 56.8530 42.0272 177.4422 50 G 4.1227 9.1619 115.0051 45.1136 0.0000 172.6104 51 D 4.8695 7.9506 120.0417 53.1238 43.0743 175.4962 52 K 4.7133 8.6814 123.7868 55.3877 33.6140 175.2784 53 I 4.9922 8.6560 121.0802 59.4137 41.3139 174.3666 54 T 4.8029 8.6255 120.0218 62.5560 70.4052 174.5039 55 V 5.1337 9.2009 118.3484 59.6092 36.7170 174.3781 56 S 5.1966 8.8688 116.7091 56.5206 66.3290 173.5340 57 V 4.1027 8.1686 123.2991 63.1033 31.5252 176.3827 58 T 4.0680 8.9649 126.1896 65.5836 68.4328 175.0443 59 K 4.5423 9.2233 120.3420 54.2028 35.3500 176.9129 60 G 4.0392 8.0940 108.8754 45.6149 0.0000 172.1803 61 T 4.1358 7.6529 110.9153 60.6258 69.6091 173.6472 62 P 4.1824 0.0000 0.0000 66.3221 31.3270 178.4607 63 E 4.1288 8.0554 115.8070 59.2614 29.3263 178.4627 64 M 4.2064 7.6223 118.3627 56.6601 32.4222 177.1527 65 R 3.8647 7.4333 117.2029 57.6603 30.6721 177.3767 66 R 3.9729 8.3367 118.0763 56.6048 29.0021 176.7045 67 Q 4.1820 7.5430 117.6949 55.6696 30.1802 175.5769 68 V 4.4782 8.3598 123.5819 61.7476 32.0488 174.4690 69 L 4.9274 8.5938 127.3556 52.7552 46.0449 175.6396 70 E 4.9296 8.5269 118.7924 55.8102 31.7174 175.2503 71 A 4.9705 9.0780 123.1971 50.8603 23.9280 174.9585 72 V 4.4040 8.2771 118.3253 60.8895 34.6523 174.7696 73 V 3.9446 8.5910 128.5302 63.1320 30.8055 176.1422 74 V 3.8264 8.7494 128.7607 64.4285 33.0023 175.8372 75 R 4.0851 7.4876 117.7911 54.1021 34.2371 174.4047 76 Q 4.8934 7.9006 118.0381 55.0684 31.6114 175.9213 77 R 4.1757 9.3145 121.5145 59.1814 30.4450 177.7381 78 K 4.2286 7.8492 118.4040 55.5001 33.0747 175.3219 79 P 4.8490 0.0000 0.0000 62.8310 32.8045 175.1523 80 I 4.8377 8.4918 115.3933 59.1444 41.4215 173.9978 81 R 5.0681 8.9906 123.8317 54.7628 32.1200 175.7463 82 R 4.6236 8.7332 125.5325 54.5905 31.2867 175.7753 83 P 4.2179 0.0000 0.0000 65.6045 31.0846 176.9342 84 D 4.6607 8.1756 116.7029 53.0300 39.3967 178.3418 85 G 4.0388 8.3036 109.5428 46.4586 0.0000 174.9041 86 T 4.0750 7.4473 116.1782 63.8175 69.5173 173.7936 87 R 5.0232 8.4464 123.8136 55.0061 32.3528 175.9737 88 V 4.4254 8.6053 122.0592 60.9447 34.3438 174.4083 89 K 4.9832 8.5104 126.0642 55.1989 35.6783 175.2828 90 F 4.7018 8.4808 119.8498 55.6783 41.1469 175.7807 91 E 4.1040 9.0221 120.7756 58.7945 29.6525 175.2761 92 D 4.8952 7.7968 115.6912 52.1243 43.4662 173.9961 93 N 5.1453 8.6921 114.9397 51.6836 40.6207 174.2807 94 A 5.2605 9.0093 124.9545 50.3213 23.3786 174.3946 95 A 4.9611 9.1000 120.3421 50.2882 23.5429 175.2305 96 V 4.5392 8.1910 119.6107 60.7731 34.2660 175.1743 97 I 4.2698 8.3788 129.1759 61.4921 37.9545 175.3354 98 V 4.8698 8.4178 126.0256 61.3454 35.0255 175.0268 99 D 4.9355 8.1050 124.1496 51.9176 41.7290 176.4155 100 E 3.9542 8.7974 118.1980 59.2758 29.7448 178.0547 101 N 4.7676 8.3704 114.0094 52.5923 38.6923 174.6472 102 E 3.8086 7.9669 115.5657 57.3737 27.6781 173.5843 103 D 5.0584 8.2551 118.2475 50.8696 42.4396 174.3921 104 P 4.6600 0.0000 0.0000 62.9688 31.6253 176.5424 105 R 3.9317 8.6712 122.6759 58.7489 30.4205 176.5065 106 G 4.1406 7.6181 105.8574 44.6158 0.0000 171.7955 107 T 4.4009 8.6209 113.8556 64.1588 70.6441 174.4803 108 E 4.7520 8.1282 119.9351 54.3902 32.4642 175.0183 109 L 4.8004 8.4205 123.7217 53.1131 43.3872 176.2071 110 K 4.1908 8.2308 123.5760 56.5903 33.1592 178.1424 111 G 3.9468 8.8273 112.9813 43.8594 0.0000 170.9452 112 P 4.8533 0.0000 0.0000 62.7627 32.4692 175.5090 113 I 4.7608 8.3891 119.2028 59.4590 41.9586 174.4738 114 A 5.2500 7.9172 123.0383 51.0767 19.8266 179.1924 115 R 3.9874 8.7319 118.2433 59.2786 29.1557 179.2636 116 E 4.0718 8.1816 118.9951 58.8704 29.5692 179.0023 117 V 3.7310 7.8054 118.0668 65.8249 31.4005 177.9421 118 A 4.1360 7.9707 119.2468 55.1614 18.3252 178.9275 119 Q 4.0238 7.7047 117.4601 59.0311 29.1873 178.1008 120 R 4.0076 7.5068 118.7534 57.9284 30.8193 176.6634 121 F 4.7223 8.2594 122.6899 55.3590 39.0759 176.4237 122 G 3.6613 8.5570 113.6236 47.6071 0.0000 172.9792 123 S 4.2931 8.0998 115.3843 60.2589 63.0390 176.1216 124 V 3.7498 7.7590 120.8512 65.0943 31.6857 177.3693 125 A 4.1563 7.6925 121.0979 54.7570 19.0663 178.8765 126 S 4.4991 7.9875 111.0366 56.9211 62.4555 173.8267 127 A 4.4036 7.2942 119.8818 53.4283 24.5572 176.8162 128 A 4.2885 8.0795 120.4323 51.9944 19.2439 177.7192 129 T 4.0615 8.6846 120.6175 66.4327 69.2512 174.5950 130 M 4.8368 7.8727 120.1128 53.4407 35.4237 174.6591 131 I 4.7579 8.4074 122.8182 59.7227 40.6223 175.5594 132 V 4.0402 8.9287 127.3101 62.8363 31.5624 175.4426 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 1.96 2.10 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.54 0.00 2 E 8.32 3.85 0.00 1.93 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 3 A 9.34 4.05 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 4 L 8.54 4.04 0.00 1.66 1.75 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.95 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 6 A 7.52 4.68 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.97 4.67 0.00 2.66 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 8 V 8.40 4.47 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 0.84 0.00 0.00 0.99 0.00 0.00 9 T 7.72 4.44 4.38 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 1.22 0.00 0.00 10 Q 8.83 3.86 0.00 1.98 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 11 G 8.79 3.88 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 0.00 0.00 0.00 12 L 7.98 4.79 0.00 1.70 1.51 0.88 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.53 5.01 0.00 1.97 1.82 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 2.22 2.21 0.00 14 K 8.12 4.19 0.00 1.66 1.72 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.62 7.81 15 G 8.78 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 0.00 0.00 0.00 16 S 8.01 4.28 0.00 3.85 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 17 L 8.48 5.02 0.00 1.51 1.60 0.96 0.78 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 18 I 9.01 4.66 1.99 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.26 0.88 0.00 0.00 19 T 8.54 4.53 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 1.20 0.00 0.00 20 C 8.34 4.80 0.00 2.99 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 21 A 8.34 4.53 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 22 D 7.64 4.66 0.00 2.70 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 23 N 8.43 4.83 0.00 2.87 3.05 0.00 0.00 5.69 7.22 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 24 T 7.51 3.56 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 1.23 0.00 0.00 25 G 7.59 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 26 A 7.44 4.62 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 27 R 8.91 4.39 0.00 1.89 1.95 0.00 3.06 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 28 E 8.04 5.09 0.00 1.99 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 2.24 2.41 0.00 29 L 8.94 5.15 0.00 1.56 1.49 0.87 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.79 4.92 0.00 1.75 1.73 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.32 7.81 31 V 8.60 4.01 2.21 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 0.93 0.00 0.00 0.95 0.00 0.00 32 I 8.85 4.21 1.87 0.00 0.00 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 1.22 0.90 0.91 0.00 0.00 33 S 7.77 4.75 0.00 3.73 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 34 V 8.14 4.56 2.02 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 0.96 0.00 0.00 0.81 0.00 0.00 35 H 9.10 4.08 0.00 3.24 3.31 0.00 6.12 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 36 G 8.68 3.92 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 0.00 0.00 0.00 37 Y 7.62 4.65 0.00 2.86 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 38 S 7.31 4.33 0.00 3.67 3.46 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 39 G 8.17 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 40 T 8.05 4.60 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 41 K 8.41 4.02 0.00 1.75 1.72 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.48 7.81 42 N 8.96 4.54 0.00 2.95 3.02 0.00 0.00 7.03 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 43 R 7.52 4.14 0.00 1.82 2.06 0.00 3.36 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.66 0.00 44 H 8.69 4.54 0.00 3.27 3.22 0.00 5.96 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.62 0.00 2.17 2.47 0.00 3.74 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 46 K 8.24 4.59 0.00 1.66 1.77 0.00 1.50 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.22 1.14 7.81 47 A 8.97 4.64 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 48 G 9.14 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.69 4.12 0.00 1.75 1.63 0.88 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 50 G 9.16 4.12 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 0.00 51 D 7.95 4.87 0.00 2.76 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.68 4.71 0.00 1.97 1.73 0.00 1.60 0.00 0.00 1.94 0.00 0.00 2.60 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.41 7.81 53 I 8.66 4.99 1.95 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.73 0.87 0.00 0.00 54 T 8.63 4.80 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 1.27 0.00 0.00 55 V 9.20 5.13 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 0.80 0.00 0.00 0.96 0.00 0.00 56 S 8.87 5.20 0.00 3.82 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 57 V 8.17 4.10 2.21 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 0.94 0.00 0.00 0.94 0.00 0.00 58 T 8.96 4.07 4.32 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 1.26 0.00 0.00 59 K 9.22 4.54 0.00 1.67 1.67 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.52 7.81 60 G 8.09 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 61 T 7.65 4.14 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 1.24 0.00 0.00 62 P 0.00 4.18 0.00 2.03 2.18 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.20 0.00 63 E 8.06 4.13 0.00 1.93 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 2.31 2.33 0.00 64 M 7.62 4.21 0.00 1.85 2.18 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.70 0.00 65 R 7.43 3.86 0.00 1.78 1.87 0.00 3.26 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.61 0.00 66 R 8.34 3.97 0.00 2.01 2.08 0.00 3.15 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 67 Q 7.54 4.18 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 68 V 8.36 4.48 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 0.79 0.00 0.00 0.93 0.00 0.00 69 L 8.59 4.93 0.00 1.58 1.48 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.53 4.93 0.00 1.88 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 2.33 2.29 0.00 71 A 9.08 4.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.28 4.40 1.68 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 0.43 0.00 0.00 -0.24 0.00 0.00 73 V 8.59 3.94 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 0.89 0.00 0.00 0.91 0.00 0.00 74 V 8.75 3.83 1.96 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 0.76 0.00 0.00 0.90 0.00 0.00 75 R 7.49 4.09 0.00 1.59 1.41 0.00 3.22 0.00 0.00 3.56 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.31 0.00 76 Q 7.90 4.89 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.64 0.00 77 R 9.31 4.18 0.00 1.94 2.06 0.00 3.18 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.61 0.00 78 K 7.85 4.23 0.00 1.77 1.73 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.55 7.81 79 P 0.00 4.85 0.00 2.12 1.96 0.00 3.60 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 2.12 2.09 0.00 80 I 8.49 4.84 1.92 0.00 0.00 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 1.40 0.97 0.99 0.00 0.00 81 R 8.99 5.07 0.00 1.84 1.82 0.00 3.09 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 82 R 8.73 4.62 0.00 2.04 1.83 0.00 3.20 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 1.74 1.61 0.00 83 P 0.00 4.22 0.00 2.04 2.14 0.00 3.67 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 84 D 8.18 4.66 0.00 2.82 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 85 G 8.30 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.45 4.08 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 1.19 0.00 0.00 87 R 8.45 5.02 0.00 1.67 1.84 0.00 3.32 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 88 V 8.61 4.43 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 0.72 0.00 0.00 0.89 0.00 0.00 89 K 8.51 4.98 0.00 1.95 1.72 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.23 1.37 7.81 90 F 8.48 4.70 0.00 3.15 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 91 E 9.02 4.10 0.00 1.97 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 2.31 2.26 0.00 92 D 7.80 4.90 0.00 2.66 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 93 N 8.69 5.15 0.00 2.62 2.73 0.00 0.00 6.45 7.08 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 94 A 9.01 5.26 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 95 A 9.10 4.96 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 96 V 8.19 4.54 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 0.90 0.00 0.00 0.90 0.00 0.00 97 I 8.38 4.27 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 1.07 0.61 0.91 0.00 0.00 98 V 8.42 4.87 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 0.69 0.00 0.00 0.78 0.00 0.00 99 D 8.11 4.94 0.00 2.95 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 0.00 100 E 8.80 3.95 0.00 1.95 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 2.30 2.34 0.00 101 N 8.37 4.77 0.00 2.97 2.82 0.00 0.00 7.06 7.24 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 0.00 102 E 7.97 3.81 0.00 2.24 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 2.32 2.33 0.00 103 D 8.26 5.06 0.00 2.98 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 P 0.00 4.66 0.00 2.15 2.04 0.00 3.77 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 105 R 8.67 3.93 0.00 1.77 1.97 0.00 3.23 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 106 G 7.62 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 0.00 107 T 8.62 4.40 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 0.00 108 E 8.13 4.75 0.00 1.88 1.82 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 2.29 2.30 0.00 109 L 8.42 4.80 0.00 1.51 1.57 0.93 0.96 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 0.00 110 K 8.23 4.19 0.00 1.64 1.72 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.38 7.81 111 G 8.83 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 0.00 112 P 0.00 4.85 0.00 2.28 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 2.16 2.12 0.00 113 I 8.39 4.76 1.90 0.00 0.00 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 1.13 0.79 0.92 0.00 0.00 114 A 7.92 5.25 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 0.00 115 R 8.73 3.99 0.00 2.12 2.25 0.00 2.79 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 116 E 8.18 4.07 0.00 2.12 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 2.51 2.44 0.00 117 V 7.81 3.73 2.24 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 1.22 0.00 0.00 1.03 0.00 0.00 118 A 7.97 4.14 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 0.00 119 Q 7.70 4.02 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 120 R 7.51 4.01 0.00 1.73 1.69 0.00 3.08 0.00 0.00 2.78 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.23 0.00 121 F 8.26 4.72 0.00 3.15 2.94 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 0.00 122 G 8.56 3.66 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 0.00 0.00 0.00 123 S 8.10 4.29 0.00 4.08 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 0.00 124 V 7.76 3.75 2.31 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 0.85 0.00 0.00 0.90 0.00 0.00 125 A 7.69 4.16 1.44 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 0.00 0.00 126 S 7.99 4.50 0.00 4.01 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 0.00 127 A 7.29 4.40 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 0.00 128 A 8.08 4.29 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 T 8.68 4.06 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 1.22 0.00 0.00 130 M 7.87 4.84 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 131 I 8.41 4.76 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.63 0.95 0.00 0.00 132 V 8.93 4.04 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 0.87 0.00 0.00 0.98 0.00 0.00