NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.2830 8.2549 117.2848 55.4864 30.7477 174.6441 3 E 3.8603 8.4072 120.4533 55.2993 30.9644 176.4040 4 C 4.9245 8.6391 122.2156 55.1229 44.2759 172.1822 5 S 4.4369 8.6625 120.3255 57.6057 62.2474 174.1296 6 L 4.0210 8.5436 127.1628 57.7995 41.7524 178.1678 7 T 4.2458 7.1740 113.2823 63.4324 69.0760 173.5158 8 G 3.5515 7.4644 111.1325 43.9749 0.0000 171.2797 9 E 5.1240 8.1352 118.7539 54.3963 32.4214 175.5710 10 W 5.7114 9.5713 123.0057 55.4443 34.2706 173.9014 11 T 5.3215 9.3619 115.2774 60.6838 71.1427 172.1297 12 N 5.6051 9.1624 123.2365 49.6783 40.3406 174.8996 13 D 4.4397 8.6810 117.2781 56.0072 39.3749 177.0961 14 L 4.2632 7.8915 117.5823 54.5567 42.0988 176.9556 15 G 3.8491 8.3593 107.3178 46.2374 0.0000 173.7549 16 S 4.8390 7.7560 114.8205 57.0862 65.5660 172.7861 17 N 5.7349 8.7257 117.8307 52.0474 43.0425 173.5380 18 M 5.2494 9.2969 117.8511 54.0840 35.3918 173.6687 19 T 5.1200 9.0227 110.5965 60.0276 72.3358 172.7501 20 I 4.7231 8.7065 124.9034 59.4094 40.0447 176.8500 21 G 4.2340 9.0987 115.4668 46.0613 0.0000 171.8524 22 A 4.4393 8.4957 123.7236 51.0433 19.9647 177.6671 23 V 4.2228 8.1542 122.3814 61.4640 31.4617 175.6012 24 N 4.5754 8.7745 125.7118 52.4198 37.9326 175.9411 25 S 4.0785 8.7945 113.0233 61.7518 62.1869 175.3220 26 D 4.3834 8.0764 117.5413 55.9566 40.7846 177.3581 27 G 4.0259 8.6341 108.4703 44.7040 0.0000 172.7389 28 E 4.6920 8.4181 121.9331 56.1180 31.0037 175.4645 29 F 5.3582 8.5712 119.7858 56.0909 42.0904 173.0164 30 T 4.9862 8.2851 115.0632 62.4462 72.7875 173.8268 31 G 4.0673 8.0360 108.0216 46.7986 0.0000 172.0685 32 T 4.9806 8.7023 109.3973 60.1849 72.8031 172.2216 33 Y 4.8395 8.9355 125.2353 55.8951 41.7342 174.2602 34 I 5.2235 8.5835 126.8797 59.9873 41.1452 174.4341 35 T 4.9475 8.7507 120.2564 59.4298 71.7798 173.2823 36 A 4.2621 8.5752 125.8517 56.5227 18.0362 179.8379 37 V 2.9393 7.1022 114.5975 61.3549 29.6009 177.4042 38 T 3.3095 8.8208 118.7504 67.7820 67.5299 172.7924 39 A 3.5379 8.5866 123.2727 51.7018 20.8159 175.2221 40 T 3.4682 9.2509 121.9308 62.6658 64.6612 176.4615 41 S 3.6361 7.5265 120.3971 60.7431 65.0326 175.2888 42 N 4.9754 7.4981 116.0717 53.9265 37.9881 175.6176 43 E 3.4675 7.8237 125.1148 58.2350 31.2806 175.6099 44 I 4.5410 8.0964 109.1795 59.1848 39.2989 174.4067 45 K 4.8355 8.3482 120.1368 54.8404 36.9163 174.6268 46 E 5.1737 8.7936 120.8442 54.9236 32.8925 174.6306 47 S 4.9758 9.0093 121.3229 55.8002 66.8375 172.0854 48 P 5.0248 0.0000 0.0000 63.3242 32.9209 174.8957 49 L 4.9132 8.1189 118.8225 55.1103 43.9923 173.9283 50 H 5.1548 8.7646 119.8253 54.1928 32.4745 173.2338 51 G 4.1690 7.7696 108.2227 45.9363 0.0000 171.6126 52 T 5.3160 8.3940 108.6600 59.9427 72.7406 172.4199 53 E 5.3300 8.8352 123.2900 54.3826 32.0126 174.9141 54 N 4.6951 9.4020 127.0091 53.4580 39.8166 174.6685 55 T 4.5640 8.4430 114.1499 61.1945 69.5737 173.3664 56 I 3.9346 7.6920 123.5496 63.0061 37.2300 175.4243 57 N 4.1390 8.4727 121.9164 55.4750 35.8516 176.1756 58 K 4.1462 7.7212 113.5834 58.0293 28.9568 174.7962 59 R 4.2503 7.4550 122.7081 56.0087 31.6792 177.5516 60 T 4.1622 8.4418 110.3073 63.8579 69.8528 174.1138 61 Q 5.1783 7.8309 119.4100 52.1236 27.9475 173.5233 62 P 4.5796 0.0000 0.0000 63.2194 33.4007 177.0271 63 T 4.9381 8.3058 110.7397 61.0640 71.6592 173.1751 64 F 5.0793 8.1153 117.1689 56.9448 41.9508 172.4920 65 G 4.6850 9.4025 104.7379 45.6744 0.0000 172.1650 66 F 5.3950 9.0023 114.9644 55.9098 42.0008 172.9579 67 T 4.9458 9.0157 117.5670 62.0654 70.7559 173.6996 68 V 4.0797 8.5317 127.2451 61.5477 32.8107 174.4818 69 N 4.6478 7.9690 127.9088 51.4052 37.7463 173.4398 70 W 4.3707 7.3100 121.2329 57.1273 29.5745 176.1665 71 K 4.4481 8.9624 122.3854 56.6476 32.2530 176.8261 72 F 5.0685 7.1585 112.5192 55.8406 38.6070 174.1481 73 S 4.5673 7.4443 113.4897 58.1075 65.0868 173.9575 74 E 4.2921 8.5110 119.0550 57.0018 30.1608 177.1068 75 S 4.7181 7.6499 116.2422 58.8179 64.6428 173.2123 76 T 5.0131 8.7973 116.8916 62.3546 72.8320 173.4000 77 T 5.2296 8.5237 120.7635 61.8819 72.5703 173.2865 78 V 4.8374 8.6219 118.3979 59.5615 35.0221 174.7051 79 F 5.2033 8.5323 122.2871 55.9412 42.6756 174.0954 80 T 4.6819 8.6480 116.2643 60.8668 71.2006 173.4875 81 G 4.5766 6.8067 111.4283 46.7756 0.0000 171.4797 82 Q 4.9455 8.0599 120.0390 54.2921 32.9832 176.4334 83 C 4.6522 9.3364 126.4785 56.0032 45.3494 172.7229 84 F 5.0618 9.2814 126.0315 55.3935 41.3929 176.3530 85 I 4.6074 7.7489 120.8833 62.9398 37.7540 176.8751 86 D 4.2055 7.2515 126.8186 52.4299 40.9107 176.6593 87 R 5.3021 8.1808 132.3760 56.1275 31.6647 174.3609 88 N 5.0726 8.3947 125.8431 55.3961 38.9917 174.1752 89 G 3.9363 8.0243 104.9717 44.6726 0.0000 173.1356 90 K 4.3493 7.7693 122.7456 55.5566 33.1022 176.2030 91 E 4.6598 8.8720 127.2107 56.5411 30.4459 176.3693 92 V 4.8465 9.0556 123.4271 61.2397 35.4839 174.1026 93 L 4.8952 9.2090 128.2251 53.5116 43.2454 175.7852 94 K 5.0502 8.9953 125.5628 55.2130 33.8012 176.0519 95 T 5.3323 8.9786 114.8030 60.2820 73.0485 172.6547 96 M 5.2607 8.9535 120.4290 53.4632 36.7439 174.4740 97 W 5.4214 8.4665 117.9585 55.0305 32.7887 173.5510 98 L 5.2764 8.8406 119.3171 52.8780 44.9184 175.4982 99 L 5.0278 9.0637 126.0926 53.4380 44.4063 174.7555 100 R 5.0035 8.7604 127.7729 54.8851 31.7740 175.3470 101 S 4.8109 8.5741 122.9403 57.4812 64.3814 174.1258 102 S 4.2992 8.5159 117.6413 58.0106 62.9068 173.8488 103 V 4.5292 7.9703 119.9317 59.5017 34.4692 175.5862 104 N 4.5271 8.6665 119.6009 55.3107 39.1214 175.3474 105 D 4.9122 7.6424 115.9553 51.7396 44.4282 175.7610 106 I 3.8874 8.6026 124.9849 64.1503 37.9357 177.4288 107 G 3.9252 8.8647 107.3710 46.8678 0.0000 173.6062 108 D 4.8271 8.4629 119.8512 53.8268 41.8389 177.5273 109 D 4.3410 8.0204 121.1477 57.0767 41.1776 178.3696 110 W 4.4131 8.3946 114.2997 58.0214 28.2074 176.4182 111 K 3.9147 6.7949 116.8804 56.3787 32.1263 176.3607 112 A 4.2284 7.6947 121.3533 53.0710 18.7451 177.2690 113 T 5.1137 7.5296 112.8114 61.9774 71.4858 173.6796 114 R 4.8846 9.0020 125.8723 54.5445 33.0062 175.7862 115 V 4.4329 7.8017 119.9732 60.3885 34.9187 174.8893 116 G 3.1917 6.1908 107.3985 45.6520 0.0000 171.6810 117 I 5.0500 7.9985 112.4475 59.3971 41.1443 174.6930 118 N 5.2291 9.0277 118.1353 52.3490 43.5901 173.7112 119 I 4.9963 9.5634 124.6759 59.8100 39.5257 174.5758 120 F 5.4301 9.3857 126.2390 56.0477 41.6641 174.9578 121 T 5.4657 9.0179 111.7733 59.6681 72.6229 173.3583 122 R 3.9231 8.6233 121.6546 55.9052 30.7956 176.3952 123 L 3.8753 8.0301 126.3292 54.9148 42.4607 176.4779 124 L 4.1895 8.5397 128.9268 53.5636 40.6178 177.3466 125 T 3.8564 7.5523 111.1893 62.2784 68.0026 173.9390 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 2 R 8.25 4.28 0.00 1.94 2.01 0.00 3.05 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 1.50 1.68 0.00 3 E 8.41 3.86 0.00 1.96 1.99 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 2.35 2.38 0.00 4 C 8.64 4.92 0.00 3.06 3.14 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 5 S 8.66 4.44 0.00 3.94 3.72 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 6 L 8.54 4.02 0.00 1.31 1.14 0.21 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.17 4.25 4.17 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 0.00 0.00 0.00 1.21 0.00 0.00 8 G 7.46 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.14 5.12 0.00 1.73 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.19 0.00 10 W 9.57 5.71 0.00 3.10 3.14 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 11 T 9.36 5.32 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 12 N 9.16 5.61 0.00 2.39 1.90 0.00 0.00 6.64 7.62 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 13 D 8.68 4.44 0.00 2.83 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 14 L 7.89 4.26 0.00 1.70 1.79 1.01 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.36 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.76 4.84 0.00 4.08 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.73 5.73 0.00 2.59 2.62 0.00 0.00 6.88 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 18 M 9.30 5.25 0.00 1.59 1.96 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 19 T 9.02 5.12 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 1.18 0.00 0.00 20 I 8.71 4.72 1.90 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.73 0.52 0.00 0.00 21 G 9.10 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.50 4.44 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 23 V 8.15 4.22 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 0.95 0.00 0.00 0.81 0.00 0.00 24 N 8.77 4.58 0.00 3.01 2.98 0.00 0.00 6.22 7.16 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 25 S 8.79 4.08 0.00 3.86 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 26 D 8.08 4.38 0.00 2.93 2.73 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 0.00 0.00 0.00 27 G 8.63 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 28 E 8.42 4.69 0.00 2.15 1.94 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 2.26 2.19 0.00 29 F 8.57 5.36 0.00 3.02 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 30 T 8.29 4.99 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 1.13 0.00 0.00 31 G 8.04 4.07 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 0.00 0.00 0.00 32 T 8.70 4.98 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 1.20 0.00 0.00 33 Y 8.94 4.84 0.00 2.95 2.76 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 34 I 8.58 5.22 1.86 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 1.15 0.81 0.98 0.00 0.00 35 T 8.75 4.95 4.57 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 1.47 0.00 0.00 36 A 8.58 4.26 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 37 V 7.10 2.94 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 -1.09 0.00 0.00 0.77 0.00 0.00 38 T 8.82 3.31 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 1.17 0.00 0.00 39 A 8.59 3.54 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 40 T 9.25 3.47 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 1.20 0.00 0.00 41 S 7.53 3.64 0.00 3.86 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 42 N 7.50 4.98 0.00 2.73 2.76 0.00 0.00 6.20 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 E 7.82 3.47 0.00 1.98 1.39 0.00 0.00 0.00 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 2.35 0.00 44 I 8.10 4.54 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 1.40 0.77 0.90 0.00 0.00 45 K 8.35 4.84 0.00 1.44 1.76 0.00 1.62 0.00 0.00 1.52 0.00 0.00 2.68 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.09 1.09 7.81 46 E 8.79 5.17 0.00 1.99 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 2.25 2.39 0.00 47 S 9.01 4.98 0.00 3.73 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 48 P 0.00 5.02 0.00 2.20 2.19 0.00 3.46 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 2.08 2.10 0.00 49 L 8.12 4.91 0.00 1.72 1.69 0.80 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.76 5.15 0.00 3.03 3.10 0.00 5.85 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 51 G 7.77 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.39 5.32 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 1.15 0.00 0.00 53 E 8.84 5.33 0.00 2.25 1.99 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 2.31 2.31 0.00 54 N 9.40 4.70 0.00 2.75 2.74 0.00 0.00 7.02 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 55 T 8.44 4.56 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 1.25 0.00 0.00 56 I 7.69 3.93 1.88 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 1.42 0.42 0.92 0.00 0.00 57 N 8.47 4.14 0.00 2.90 2.98 0.00 0.00 7.36 7.61 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 58 K 7.72 4.15 0.00 1.87 2.14 0.00 1.73 0.00 0.00 1.89 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.56 7.81 59 R 7.46 4.25 0.00 1.81 1.87 0.00 3.47 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.57 0.00 60 T 8.44 4.16 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 61 Q 7.83 5.18 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.06 0.00 0.00 0.00 0.00 0.00 2.42 2.22 0.00 62 P 0.00 4.58 0.00 2.19 2.22 0.00 3.79 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 63 T 8.31 4.94 4.11 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 1.13 0.00 0.00 64 F 8.12 5.08 0.00 3.53 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.40 4.68 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 66 F 9.00 5.39 0.00 3.20 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 67 T 9.02 4.95 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 1.17 0.00 0.00 68 V 8.53 4.08 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 -0.71 0.00 0.00 0.75 0.00 0.00 69 N 7.97 4.65 0.00 2.71 2.63 0.00 0.00 7.26 7.83 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 70 W 7.31 4.37 0.00 3.03 2.43 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 71 K 8.96 4.45 0.00 1.90 1.98 0.00 1.76 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.57 1.41 7.81 72 F 7.16 5.07 0.00 3.08 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 73 S 7.44 4.57 0.00 3.86 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 74 E 8.51 4.29 0.00 1.97 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 0.00 2.28 2.32 0.00 75 S 7.65 4.72 0.00 3.60 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 76 T 8.80 5.01 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 1.18 0.00 0.00 77 T 8.52 5.23 4.43 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 0.93 0.00 0.00 78 V 8.62 4.84 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 0.75 0.00 0.00 0.94 0.00 0.00 79 F 8.53 5.20 0.00 1.59 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.65 4.68 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 1.11 0.00 0.00 81 G 6.81 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 8.06 4.95 0.00 1.83 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.94 0.00 0.00 0.00 0.00 0.00 1.94 2.12 0.00 83 C 9.34 4.65 0.00 3.02 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 84 F 9.28 5.06 0.00 3.09 2.96 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 85 I 7.75 4.61 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.59 0.97 0.00 0.00 86 D 7.25 4.21 0.00 2.85 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 87 R 8.18 5.30 0.00 1.79 1.96 0.00 3.39 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.47 0.00 88 N 8.39 5.07 0.00 2.82 2.89 0.00 0.00 7.09 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 G 8.02 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 90 K 7.77 4.35 0.00 1.82 1.77 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.52 7.81 91 E 8.87 4.66 0.00 2.03 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 0.00 2.42 2.37 0.00 92 V 9.06 4.85 2.37 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 1.20 0.00 0.00 1.09 0.00 0.00 93 L 9.21 4.90 0.00 1.57 1.72 0.20 -0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 94 K 9.00 5.05 0.00 2.06 1.98 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.79 1.76 7.81 95 T 8.98 5.33 4.64 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 1.68 0.00 0.00 96 M 8.95 5.26 0.00 1.74 1.83 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.33 0.00 97 W 8.47 5.42 0.00 2.73 1.88 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 98 L 8.84 5.28 0.00 1.58 1.58 0.88 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 99 L 9.06 5.03 0.00 1.68 1.74 0.89 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 100 R 8.76 5.00 0.00 1.99 1.99 0.00 3.17 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 101 S 8.57 4.81 0.00 3.74 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.52 4.30 0.00 3.82 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 7.97 4.53 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 0.71 0.00 0.00 0.95 0.00 0.00 104 N 8.67 4.53 0.00 2.71 2.87 0.00 0.00 6.65 8.06 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 0.00 105 D 7.64 4.91 0.00 2.70 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 0.00 106 I 8.60 3.89 1.89 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 1.38 1.21 0.93 0.00 0.00 107 G 8.86 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 0.00 108 D 8.46 4.83 0.00 2.82 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.02 4.34 0.00 2.70 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 0.00 110 W 8.39 4.41 0.00 3.63 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 K 6.79 3.91 0.00 1.08 0.74 0.00 0.91 0.00 0.00 0.61 0.00 0.00 2.73 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.61 0.80 7.81 112 A 7.69 4.23 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 T 7.53 5.11 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 1.22 0.00 0.00 114 R 9.00 4.88 0.00 1.92 2.02 0.00 3.16 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 115 V 7.80 4.43 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 0.56 0.00 0.00 0.68 0.00 0.00 116 G 6.19 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 8.00 5.05 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.07 0.78 0.00 0.00 118 N 9.03 5.23 0.00 3.17 2.50 0.00 0.00 7.30 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 I 9.56 5.00 1.92 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 1.31 0.96 1.03 0.00 0.00 120 F 9.39 5.43 0.00 2.75 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 0.00 121 T 9.02 5.47 4.40 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 1.39 0.00 0.00 122 R 8.62 3.92 0.00 1.51 1.53 0.00 3.01 0.00 0.00 2.72 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.29 0.00 123 L 8.03 3.88 0.00 1.65 1.50 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 124 L 8.54 4.19 0.00 1.66 1.64 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 125 T 7.55 3.86 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 1.18 0.00 0.00