NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3631 8.3001 118.1982 55.5825 32.5100 173.0467 2 A 4.0062 8.4882 120.2876 51.4016 21.5902 174.0714 3 S 3.3485 9.0203 111.0143 58.8593 63.2168 169.6293 4 L 4.0221 7.4400 124.4901 55.0345 41.9932 176.7729 5 E 4.3745 8.6828 125.3858 55.7524 30.3651 176.4439 6 D 4.8584 8.7881 121.4452 54.0080 41.8581 177.2792 7 G 3.8927 7.5837 108.1245 46.3640 0.0000 170.3046 8 T 5.1943 7.5200 115.4419 62.2080 70.9123 173.6839 9 Y 5.3443 9.5588 122.8468 56.5567 43.1599 174.2111 10 R 5.4213 9.0126 119.4707 53.9491 33.4137 175.5941 11 L 4.9556 8.7972 121.6856 53.1728 44.6348 175.0804 12 R 4.4851 8.9375 125.5024 54.1633 32.0460 175.1200 13 A 2.6350 8.3208 129.2413 51.8992 18.7891 176.6684 14 V 4.3663 8.0374 117.6038 60.6244 35.7526 174.5402 15 T 5.0397 7.8509 109.2041 60.7844 72.0941 175.4378 16 T 3.9120 8.6784 112.6451 64.7455 68.8941 175.5257 17 H 4.5227 8.2181 118.0852 57.2874 29.1730 175.2839 18 N 4.9784 7.8955 117.7082 51.5496 38.7685 172.8864 19 P 4.4218 0.0000 0.0000 63.7081 32.2522 176.6416 20 D 4.7237 7.5160 116.5562 51.3839 41.1180 172.7944 21 P 4.3844 0.0000 0.0000 63.9010 32.4592 175.4429 22 G 3.8831 7.9701 102.7558 44.0504 0.0000 173.7122 23 V 3.8586 8.2034 121.2038 62.3298 32.5776 175.6830 24 G 3.8188 8.7810 106.4803 46.0452 0.0000 173.9089 25 G 3.7198 8.0376 105.2080 45.7402 0.0000 173.0021 26 E 5.0673 8.2405 119.3209 54.6452 32.2156 174.8958 27 Y 5.3533 8.9977 120.6396 55.6961 42.2809 174.9346 28 A 4.6473 9.2247 124.3588 52.8026 19.9725 176.9389 29 T 5.2194 9.1510 118.1313 61.8678 72.6451 174.2452 30 V 4.1614 8.6217 127.0622 61.0937 32.5437 175.9352 31 E 4.5374 8.3391 121.8081 55.3710 30.1196 175.9430 32 G 3.8569 8.3149 103.4288 44.6227 0.0000 173.3288 33 A 3.6900 8.0272 123.1329 53.6030 18.6096 177.8121 34 R 3.9296 8.5973 119.2927 57.0001 28.8686 176.0943 35 Q 4.7369 7.4907 116.6184 53.3646 31.5371 173.4374 36 P 4.8326 0.0000 0.0000 62.9488 32.2833 176.4674 37 V 4.0334 8.6050 123.8695 62.7280 32.9582 175.1192 38 K 4.8977 8.9809 125.4223 54.5784 36.1579 174.6458 39 A 5.1743 8.5168 123.2018 50.6602 20.1689 175.9784 40 E 4.7717 9.0979 121.1646 54.0310 34.2296 173.9910 41 P 5.1251 0.0000 0.0000 62.3606 32.4029 177.2958 42 S 4.7969 9.0326 116.2021 57.1546 60.4907 172.7589 43 T 4.8164 7.6835 114.4923 58.1567 72.2961 174.1867 44 P 4.0969 0.0000 0.0000 65.6196 30.9685 175.7039 45 P 4.2504 0.0000 0.0000 62.9988 31.4708 176.3697 46 F 5.1271 8.4966 117.7650 57.8713 41.7026 177.2405 47 S 4.2952 8.5149 115.5871 61.4437 62.4221 176.4966 48 E 4.0771 8.1634 116.9889 58.3004 29.7356 177.1837 49 Q 4.5146 8.2743 117.6145 55.2343 28.5572 176.3432 50 Q 5.2285 8.5767 116.1491 54.6011 29.5332 174.3134 51 I 4.9744 7.5292 112.6345 59.0189 40.2613 174.4957 52 W 5.1881 9.4877 125.2064 54.8910 33.4440 173.9771 53 Q 4.8984 9.5694 125.9232 55.3978 30.0630 174.3386 54 V 5.1591 9.4002 127.3167 61.4105 34.3589 174.3970 55 T 5.1606 8.7985 116.7949 60.1341 72.3093 172.4737 56 R 4.0600 8.8079 125.7123 54.8429 31.3982 175.9305 57 N 4.7095 8.8923 124.3835 51.7994 39.8849 176.3330 58 S 4.1696 8.3822 113.7119 61.0157 63.0333 175.3075 59 D 4.2513 7.9052 119.9447 55.6487 41.0328 176.9475 60 G 3.8728 8.1478 106.6067 44.9382 0.0000 173.0481 61 Q 4.8262 7.4776 118.1981 54.8464 31.5558 173.9695 62 Y 5.8484 9.4289 118.0139 55.6280 42.1102 175.1199 63 T 5.2169 7.9697 108.6740 59.7011 72.1421 173.9152 64 I 4.5600 8.3325 122.5788 59.8322 40.2425 174.2213 65 K 5.3419 9.4968 127.0884 54.5149 35.6435 175.1222 66 Y 3.9157 9.3603 125.5109 58.1857 39.8608 173.6264 67 Q 2.8821 7.8681 127.2677 57.2725 27.4873 176.1020 68 G 3.6163 8.1549 107.9560 44.4174 0.0000 173.0479 69 L 4.2125 8.1117 120.3111 56.1105 44.3867 173.8890 70 N 4.4392 9.1718 115.8704 53.7396 37.8570 174.8071 71 A 4.3780 7.3820 118.8882 51.3729 20.3536 175.0409 72 P 4.0723 0.0000 0.0000 65.0413 31.2786 177.2353 73 F 5.0275 7.3343 114.0583 55.3330 42.0882 174.4413 74 E 4.3351 8.7147 123.8728 56.2544 30.2964 175.6747 75 Y 4.9804 8.3922 120.6300 56.7145 41.8485 175.0737 76 G 4.5672 9.3436 108.4584 45.6288 0.0000 172.0177 77 F 4.6955 9.1403 118.5794 58.8498 40.0619 175.3941 78 S 5.2071 9.1040 116.7575 58.1038 66.4322 171.7887 79 Y 5.1247 7.6015 117.4560 56.1629 40.0056 174.5003 80 D 4.5518 9.2773 121.8401 55.5897 41.8277 175.7501 81 Q 4.5418 7.7408 119.3758 54.0359 31.3567 175.4236 82 L 3.8354 8.2126 127.3365 54.0697 41.2102 175.1489 83 E 4.6785 8.1326 124.2468 53.1909 33.7062 173.6784 84 P 4.1109 0.0000 0.0000 64.0906 31.5831 176.4509 85 N 4.2023 9.1634 118.2819 53.6948 37.1317 174.3992 86 A 4.4139 7.9838 121.2855 51.2958 19.5577 176.0046 87 P 4.8481 0.0000 0.0000 62.5019 32.9104 175.9473 88 V 4.2810 8.3594 122.5111 62.6166 32.6697 174.9053 89 I 4.9678 8.6860 120.8164 58.8043 41.2461 175.0246 90 A 4.4727 8.9002 126.1859 52.4648 18.6103 176.2616 91 G 4.3770 9.3435 110.9298 46.2720 0.0000 169.1651 92 D 4.7020 8.9215 120.3659 54.0794 41.3272 175.3560 93 P 4.5054 0.0000 0.0000 63.2469 32.0339 176.3414 94 K 4.3185 8.8958 122.9249 55.4346 34.1971 175.2001 95 E 4.8231 8.2108 122.2504 55.4992 30.9816 174.5979 96 Y 5.0526 9.1078 122.5843 56.4382 43.1364 173.9984 97 I 4.7237 8.8542 122.3875 60.0821 39.2687 174.7379 98 L 4.9588 8.5711 127.0269 53.1608 43.1863 175.5210 99 Q 4.6289 8.9935 126.3088 53.7857 31.1700 174.4324 100 L 3.8150 8.6385 129.5037 55.1025 43.0156 176.2645 101 V 3.8962 8.7798 127.2835 61.3595 32.6840 173.6095 102 P 4.2980 0.0000 0.0000 64.5601 31.5809 176.6891 103 S 4.2527 8.9563 115.7507 58.1922 61.7729 168.8839 104 T 4.5590 7.4547 110.1705 59.9878 70.8382 173.9299 105 A 4.4411 8.3831 124.5566 53.1200 19.9523 178.0686 106 D 4.8175 7.6761 112.4067 53.6538 42.4324 174.6293 107 V 4.9572 7.7806 113.7174 60.3569 33.9168 174.5311 108 Y 5.2304 9.3708 122.3945 56.1453 42.2327 174.7479 109 I 4.3804 8.8972 124.6928 61.3389 38.8529 175.2186 110 I 4.5366 8.7799 127.7742 60.3074 38.3239 174.4258 111 R 5.1461 9.2415 127.4259 54.4232 32.4233 175.5700 112 A 4.9284 9.2671 126.9317 49.5201 19.9784 175.0828 113 P 4.1625 0.0000 0.0000 63.9072 31.9026 175.9771 114 I 4.5742 7.7781 120.9036 59.0323 40.6272 173.6093 115 Q 3.8248 8.4939 121.8790 56.7878 29.0144 177.3653 116 R 3.4104 6.7786 115.5769 54.7852 28.9612 176.3964 117 V 3.7994 8.2988 121.9082 63.3967 32.5363 176.0876 118 G 4.0338 8.8692 112.4524 46.0899 0.0000 172.5747 119 V 4.9074 7.2867 118.5810 60.6930 34.4779 174.3266 120 D 4.8700 9.2070 126.8458 52.4566 44.1312 174.2506 121 V 4.5388 8.2388 125.7374 61.4731 33.4111 174.2087 122 E 5.4116 9.5170 126.9803 54.4585 33.9977 175.0346 123 V 4.0858 8.9736 123.9431 63.0498 32.2289 175.3736 124 G 4.5460 9.5127 116.4805 44.8902 0.0000 171.1059 125 V 4.9431 8.3445 117.7777 61.1129 34.8458 175.5079 126 Q 4.2061 8.7791 126.6205 55.1899 31.6283 175.1563 127 G 4.1437 9.5078 116.3575 47.2013 0.0000 172.4844 128 N 4.2009 7.9925 109.9580 53.9227 37.1015 173.8849 129 T 4.8334 7.7000 115.3599 61.3424 71.5349 173.7429 130 L 4.6166 8.4949 126.7195 55.1220 42.7835 176.6919 131 V 4.7659 8.5890 115.6236 59.8689 37.0665 173.7091 132 Y 4.7742 8.9529 120.6648 57.5630 39.1630 174.8158 133 K 4.8619 9.6830 124.7137 54.7185 34.7284 175.2325 134 F 5.1472 8.7999 123.5522 56.1297 40.4464 175.2516 135 F 5.1648 9.3126 122.1205 54.8729 43.1018 172.5684 136 P 4.8251 0.0000 0.0000 62.7007 32.4794 176.9713 137 V 4.1423 8.5001 124.0116 62.0912 29.5153 175.0985 138 D 4.6209 8.5274 121.7988 51.9138 40.5255 178.2196 139 G 3.9417 8.2563 107.6376 46.2994 0.0000 174.8967 140 S 4.1267 8.4260 115.8837 58.9648 63.2839 175.4400 141 G 3.8379 8.3475 107.7915 45.9307 0.0000 173.6253 142 G 3.7864 7.7931 108.4335 44.4696 0.0000 173.5666 143 D 4.0148 8.1632 119.1393 54.1529 41.8488 175.5238 144 R 4.4320 8.2479 123.8196 53.4149 34.6131 172.9247 145 P 4.6885 0.0000 0.0000 63.0894 32.7041 174.8601 146 A 4.9046 8.2848 122.1929 50.9258 23.7725 174.8424 147 W 5.1626 9.3420 118.1823 55.0558 33.3797 175.0381 148 R 4.8396 9.1093 126.2132 55.8999 30.7574 175.1647 149 F 5.1979 9.6096 127.3427 56.7342 39.7671 175.4015 150 T 4.9061 8.9789 115.2537 59.3256 71.1900 173.8639 151 R 3.8582 8.9972 125.8799 56.8741 30.8327 175.6329 152 E 4.2989 8.6234 126.0658 56.2944 29.2792 175.3683 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 4.36 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.57 0.00 2 A 8.49 4.01 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.02 3.35 0.00 3.99 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 4 L 7.44 4.02 0.00 0.70 0.96 0.75 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.68 4.37 0.00 2.15 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 0.00 2.38 2.41 0.00 6 D 8.79 4.86 0.00 2.71 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 7.58 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 0.00 0.00 0.00 8 T 7.52 5.19 4.18 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 0.00 0.00 0.00 1.25 0.00 0.00 9 Y 9.56 5.34 0.00 3.03 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 10 R 9.01 5.42 0.00 1.94 2.03 0.00 3.00 0.00 0.00 3.02 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.50 0.00 11 L 8.80 4.96 0.00 1.39 1.40 0.58 -0.34 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 12 R 8.94 4.49 0.00 1.31 1.63 0.00 2.90 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.88 0.00 13 A 8.32 2.63 0.55 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 14 V 8.04 4.37 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 0.64 0.00 0.00 0.79 0.00 0.00 15 T 7.85 5.04 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 1.09 0.00 0.00 16 T 8.68 3.91 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 1.16 0.00 0.00 17 H 8.22 4.52 0.00 3.35 3.35 0.00 5.63 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 18 N 7.90 4.98 0.00 2.72 2.57 0.00 0.00 7.03 7.33 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 19 P 0.00 4.42 0.00 2.03 2.04 0.00 3.68 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.22 0.00 20 D 7.52 4.72 0.00 2.55 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.38 0.00 2.02 2.03 0.00 3.65 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 1.91 1.98 0.00 22 G 7.97 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 23 V 8.20 3.86 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 0.75 0.00 0.00 0.96 0.00 0.00 24 G 8.78 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 25 G 8.04 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 0.00 0.00 0.00 26 E 8.24 5.07 0.00 1.72 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 2.21 2.17 0.00 27 Y 9.00 5.35 0.00 3.14 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 9.22 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 9.15 5.22 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 1.29 0.00 0.00 30 V 8.62 4.16 1.18 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 -0.59 0.00 0.00 0.65 0.00 0.00 31 E 8.34 4.54 0.00 1.87 1.87 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 2.22 2.39 0.00 32 G 8.31 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 0.00 0.00 0.00 33 A 8.03 3.69 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.60 3.93 0.00 2.02 2.08 0.00 3.20 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 35 Q 7.49 4.74 0.00 2.20 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.47 6.97 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 36 P 0.00 4.83 0.00 1.92 1.97 0.00 3.67 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 37 V 8.61 4.03 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.88 0.00 0.00 38 K 8.98 4.90 0.00 1.79 1.69 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.34 7.81 39 A 8.52 5.17 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 40 E 9.10 4.77 0.00 1.32 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 1.89 1.47 0.00 41 P 0.00 5.13 0.00 2.19 2.13 0.00 3.15 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.91 0.00 42 S 9.03 4.80 0.00 3.42 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 43 T 7.68 4.82 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 1.32 0.00 0.00 44 P 0.00 4.10 0.00 2.14 2.22 0.00 3.80 0.00 0.00 3.72 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 45 P 0.00 4.25 0.00 1.43 1.90 0.00 3.49 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.68 0.00 46 F 8.50 5.13 0.00 3.18 3.08 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 47 S 8.51 4.30 0.00 3.99 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 48 E 8.16 4.08 0.00 2.11 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 2.28 2.41 0.00 49 Q 8.27 4.51 0.00 2.39 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 50 Q 8.58 5.23 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.78 0.00 0.00 0.00 0.00 0.00 2.62 2.57 0.00 51 I 7.53 4.97 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.09 0.92 0.00 0.00 52 W 9.49 5.19 0.00 3.23 3.10 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 53 Q 9.57 4.90 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 54 V 9.40 5.16 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.13 0.00 0.00 55 T 8.80 5.16 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 1.28 0.00 0.00 56 R 8.81 4.06 0.00 1.09 1.56 0.00 3.06 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.54 0.00 57 N 8.89 4.71 0.00 2.71 2.66 0.00 0.00 6.43 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.38 4.17 0.00 3.94 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 59 D 7.91 4.25 0.00 2.61 2.78 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 60 G 8.15 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 61 Q 7.48 4.83 0.00 2.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 62 Y 9.43 5.85 0.00 2.82 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 63 T 7.97 5.22 4.35 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 1.32 0.00 0.00 64 I 8.33 4.56 0.93 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.57 -0.24 0.00 0.00 65 K 9.50 5.34 0.00 1.77 1.91 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.48 7.81 66 Y 9.36 3.92 0.00 2.51 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 67 Q 7.87 2.88 0.00 0.93 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.75 0.00 0.00 0.00 0.00 0.00 1.93 2.00 0.00 68 G 8.15 3.62 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 0.00 0.00 0.00 69 L 8.11 4.21 0.00 1.73 1.69 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 70 N 9.17 4.44 0.00 2.79 3.14 0.00 0.00 6.82 7.96 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 71 A 7.38 4.38 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 72 P 0.00 4.07 0.00 0.67 1.30 0.00 3.54 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 1.80 1.88 0.00 73 F 7.33 5.03 0.00 2.60 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 74 E 8.71 4.34 0.00 1.97 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 2.34 2.35 0.00 75 Y 8.39 4.98 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 76 G 9.34 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 0.00 0.00 0.00 0.00 77 F 9.14 4.70 0.00 2.85 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 9.10 5.21 0.00 4.18 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 79 Y 7.60 5.12 0.00 2.86 2.86 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 80 D 9.28 4.55 0.00 2.78 2.75 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 0.00 0.00 0.00 81 Q 7.74 4.54 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.18 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 82 L 8.21 3.84 0.00 0.47 1.19 -0.55 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.13 4.68 0.00 1.97 1.64 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 2.15 2.25 0.00 84 P 0.00 4.11 0.00 1.72 1.55 0.00 3.33 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.96 0.00 85 N 9.16 4.20 0.00 2.83 2.91 0.00 0.00 6.99 8.21 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 86 A 7.98 4.41 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.85 0.00 2.11 2.07 0.00 3.86 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 88 V 8.36 4.28 1.59 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 0.40 0.00 0.00 -0.04 0.00 0.00 89 I 8.69 4.97 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.70 0.98 0.00 0.00 90 A 8.90 4.47 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 G 9.34 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 0.00 0.00 0.00 0.00 92 D 8.92 4.70 0.00 2.49 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 93 P 0.00 4.51 0.00 2.11 2.16 0.00 3.68 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 2.11 2.25 0.00 94 K 8.90 4.32 0.00 1.50 1.32 0.00 1.04 0.00 0.00 1.24 0.00 0.00 2.21 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.11 0.66 7.81 95 E 8.21 4.82 0.00 1.87 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 2.41 2.39 0.00 96 Y 9.11 5.05 0.00 2.94 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 97 I 8.85 4.72 1.96 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 1.28 0.81 0.97 0.00 0.00 98 L 8.57 4.96 0.00 0.94 0.88 -0.87 0.61 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 99 Q 8.99 4.63 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.99 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 100 L 8.64 3.82 0.00 1.52 1.47 0.25 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.78 3.90 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 0.82 0.00 0.00 0.93 0.00 0.00 102 P 0.00 4.30 0.00 2.03 1.96 0.00 3.71 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 2.00 2.06 0.00 103 S 8.96 4.25 0.00 4.12 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 0.00 104 T 7.45 4.56 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 1.18 0.00 0.00 105 A 8.38 4.44 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 0.00 106 D 7.68 4.82 0.00 3.08 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 0.00 107 V 7.78 4.96 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 0.75 0.00 0.00 0.89 0.00 0.00 108 Y 9.37 5.23 0.00 2.82 2.68 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 0.00 109 I 8.90 4.38 1.94 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 1.48 0.71 1.06 0.00 0.00 110 I 8.78 4.54 1.87 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.99 0.62 0.00 0.00 111 R 9.24 5.15 0.00 1.92 1.91 0.00 3.37 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.66 0.00 112 A 9.27 4.93 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 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.16 0.00 2.02 2.01 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 114 I 7.78 4.57 1.67 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 1.37 0.73 0.76 0.00 0.00 115 Q 8.49 3.82 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.16 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 116 R 6.78 3.41 0.00 1.84 2.02 0.00 3.30 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 117 V 8.30 3.80 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 0.99 0.00 0.00 0.94 0.00 0.00 118 G 8.87 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 0.00 119 V 7.29 4.91 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 0.89 0.00 0.00 1.02 0.00 0.00 120 D 9.21 4.87 0.00 2.82 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 0.00 121 V 8.24 4.54 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 0.80 0.00 0.00 -0.25 0.00 0.00 122 E 9.52 5.41 0.00 2.18 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 2.32 2.40 0.00 123 V 8.97 4.09 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 0.35 0.00 0.00 0.77 0.00 0.00 124 G 9.51 4.55 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 0.00 125 V 8.34 4.94 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 0.90 0.00 0.00 1.00 0.00 0.00 126 Q 8.78 4.21 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.06 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 127 G 9.51 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 0.00 128 N 7.99 4.20 0.00 2.90 2.99 0.00 0.00 6.78 7.05 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 0.00 129 T 7.70 4.83 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 130 L 8.49 4.62 0.00 1.45 1.18 0.94 -0.49 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 0.00 131 V 8.59 4.77 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 0.84 0.00 0.00 0.93 0.00 0.00 132 Y 8.95 4.77 0.00 3.15 3.04 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 0.00 133 K 9.68 4.86 0.00 1.93 1.43 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.65 7.81 134 F 8.80 5.15 0.00 2.69 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 0.00 135 F 9.31 5.16 0.00 2.97 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 0.00 136 P 0.00 4.83 0.00 2.14 2.11 0.00 4.03 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 2.19 2.05 0.00 137 V 8.50 4.14 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 0.79 0.00 0.00 0.96 0.00 0.00 138 D 8.53 4.62 0.00 2.82 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 0.00 139 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 0.00 140 S 8.43 4.13 0.00 4.02 4.15 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 G 8.35 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 0.00 142 G 7.79 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 D 8.16 4.01 0.00 2.44 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 0.00 144 R 8.25 4.43 0.00 1.52 1.63 0.00 2.21 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.38 0.00 145 P 0.00 4.69 0.00 2.31 2.08 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 146 A 8.28 4.90 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 0.00 147 W 9.34 5.16 0.00 3.55 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 0.00 148 R 9.11 4.84 0.00 1.91 1.87 0.00 3.15 0.00 0.00 3.39 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.85 0.00 149 F 9.61 5.20 0.00 2.84 2.74 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 0.00 150 T 8.98 4.91 4.39 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 0.00 0.00 1.38 0.00 0.00 151 R 9.00 3.86 0.00 1.84 1.85 0.00 3.03 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.40 0.00 152 E 8.62 4.30 0.00 1.97 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 2.22 2.25 0.00