NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3741 8.3044 120.3466 55.2393 33.4779 174.4224 2 K 4.3832 8.9631 127.7761 54.7218 33.4367 173.3811 3 K 4.9564 9.4524 128.7885 55.1611 34.3867 175.7817 4 V 4.9903 8.8219 124.4102 61.2265 34.8879 174.0479 5 I 5.6291 8.4420 124.5502 58.9408 41.9860 173.6399 6 T 4.9308 8.0482 119.9291 60.8990 71.1081 171.7388 7 Y 5.1674 9.0344 123.1150 55.7072 41.9978 175.0377 8 G 3.9098 8.0773 109.9933 47.0690 0.0000 173.9836 9 T 4.1236 8.3775 116.4124 65.1016 69.4502 175.7466 10 F 3.3432 7.1114 116.9970 58.2433 36.2117 174.2916 11 D 4.8064 7.6734 118.2587 53.7211 43.5574 175.5891 12 L 3.6665 8.7030 121.1229 54.8591 38.8063 174.0301 13 L 4.0071 7.9291 118.3181 56.1871 42.8888 176.1180 14 H 5.2101 8.3944 120.4381 52.6296 33.2348 174.0573 15 W 4.5654 8.8823 117.6902 59.2448 27.5840 178.3599 16 G 3.4845 7.6778 106.8251 47.8271 0.0000 175.4984 17 H 4.4447 8.0317 118.0408 58.6835 28.8353 177.5376 18 I 3.8554 7.9515 121.6612 64.7255 36.9437 178.7094 19 K 4.1641 8.2675 118.8628 59.0695 31.7805 179.3767 20 L 3.9595 7.7429 120.7575 58.2291 42.0949 178.9235 21 L 3.9601 8.0430 118.9593 57.5348 41.6113 179.0544 22 E 2.5400 8.0089 119.2585 58.9951 29.3077 179.2413 23 R 3.8296 7.3561 116.2054 58.8726 30.3919 178.6241 24 A 4.0572 7.9088 120.6102 55.0720 18.4457 179.4014 25 K 3.8282 7.9715 117.9982 59.8546 32.0448 178.3936 26 Q 4.2328 7.4882 113.1776 56.6745 28.4692 177.0668 27 L 4.4772 7.7757 121.9076 57.3933 42.9256 176.7138 28 G 3.8688 8.3410 109.3191 45.4627 0.0000 173.0361 29 D 5.0041 8.9050 124.3882 52.8737 41.0532 175.6115 30 Y 4.8461 7.7362 119.5956 56.6597 42.6919 172.7984 31 L 5.1281 9.2345 128.2326 53.2468 45.4639 174.9435 32 V 4.8192 8.8599 126.3760 61.0578 34.4774 174.3115 33 V 4.6631 8.2697 126.3713 60.9626 34.7579 173.9399 34 A 4.7577 8.2607 130.4372 50.6416 20.1170 175.4189 35 I 4.8508 8.5002 123.7411 60.3792 39.6538 175.4058 36 S 4.8415 8.8534 126.5246 59.1668 63.3828 174.6488 37 T 4.1100 8.6152 114.9343 61.1445 69.5289 175.4871 38 D 4.4047 8.6823 121.1180 57.1313 40.4907 178.9986 39 E 3.9813 7.9923 118.4105 59.4120 29.9365 178.5444 40 F 4.2270 8.0938 120.2700 61.0993 39.4258 176.5290 41 N 4.1881 8.5175 117.0638 56.7076 38.5814 176.5506 42 L 4.2160 7.5343 122.2615 57.5696 41.9983 178.4835 43 Q 4.2205 7.6574 115.9145 57.1812 28.5774 177.3622 44 K 4.5336 7.4207 118.7646 54.9874 33.3003 175.9682 45 Q 3.5512 8.2182 116.5910 56.4176 26.2595 173.6938 46 K 4.6319 7.4190 114.4840 54.8738 36.6197 175.8221 47 K 4.6833 8.4031 121.6272 54.2449 34.2505 175.7485 48 A 4.3834 8.2024 129.1302 52.0873 18.9658 176.6778 49 Y 4.1560 9.1920 124.3931 60.3917 39.2589 175.8548 50 H 4.7300 8.7362 116.3382 54.3459 30.3106 175.9127 51 S 4.4171 8.2682 117.8740 58.0506 65.0993 174.7038 52 Y 4.0493 8.3614 123.0921 60.8915 38.4721 178.1777 53 E 3.7363 8.1982 119.5191 59.8228 29.8319 178.4974 54 H 4.3209 7.8590 115.7089 58.7935 28.7788 178.0665 55 R 3.9295 8.5960 120.3902 59.0572 29.8645 179.0366 56 K 3.7690 7.8998 119.5903 58.9292 31.8646 178.5557 57 L 3.8224 7.5010 119.9120 58.2728 42.3342 178.8199 58 I 3.7908 7.5493 119.4162 64.3773 36.9768 178.2171 59 L 3.8643 7.6392 120.5984 58.1413 41.6356 178.7125 60 E 3.9961 7.9152 117.4903 58.6245 29.3911 178.4717 61 T 4.2644 7.5098 108.6385 61.8793 69.6181 175.1370 62 I 3.6996 7.0967 124.1710 61.0581 37.4439 176.6934 63 R 3.7372 8.5920 125.2814 59.7167 29.9876 177.7218 64 Y 4.2603 7.2208 113.5875 60.2614 38.0874 176.2757 65 V 3.8876 7.6517 120.2993 61.9718 32.0195 175.1077 66 D 4.5031 8.3025 128.0456 56.4967 41.5963 176.7129 67 E 4.7066 7.4919 113.4672 55.1659 32.7890 174.4187 68 V 4.9367 8.3135 121.0534 61.0990 34.0775 174.5036 69 I 4.8552 8.3541 120.4188 58.1833 41.1430 172.9007 70 P 4.9931 0.0000 0.0000 62.7390 32.7798 175.2392 71 E 4.3163 9.3140 123.6801 55.0491 30.2187 176.1487 72 K 4.1403 9.3991 127.9280 57.4321 33.5611 176.3882 73 N 4.6966 7.1933 112.7453 50.1569 39.4281 174.9865 74 W 4.4558 8.7993 119.3087 59.8363 28.9062 178.4785 75 E 3.9040 8.4043 116.2029 58.7235 29.5364 178.5618 76 Q 4.1342 8.4297 118.8872 58.4573 28.4956 178.3215 77 K 3.9656 7.4203 122.3750 58.9559 32.0138 179.0021 78 K 3.9906 8.1052 117.7874 59.6118 32.0276 179.0840 79 Q 4.0178 8.0799 119.3230 58.9258 28.9767 177.5970 80 D 4.4400 8.1477 120.1732 57.5361 40.9261 178.7465 81 I 3.7574 7.7853 120.1390 64.4727 36.7469 178.6622 82 I 3.7030 7.5107 120.5502 64.5678 36.7793 178.2454 83 D 4.3558 8.4998 118.6627 57.0762 40.6921 177.6605 84 H 4.6437 8.2143 113.5075 54.2012 29.5171 174.5636 85 N 4.1879 7.8365 116.8031 54.1077 36.6516 174.9362 86 I 4.0628 7.6659 117.5304 61.7910 38.1730 176.1922 87 D 4.8993 9.4009 123.7553 54.6551 43.7175 176.5107 88 V 4.9099 7.6844 117.4841 60.8825 35.3268 173.8297 89 F 5.3303 9.4456 130.1129 56.4367 41.5880 174.1751 90 V 5.1748 7.5392 124.9776 60.4737 34.6505 174.1604 91 M 4.8344 8.1630 123.9514 53.6551 37.1782 174.4434 92 G 4.2639 8.9275 107.6913 46.0262 0.0000 174.2588 93 D 4.8158 9.3158 119.7781 54.2130 39.1183 177.2702 94 D 4.5784 8.0701 118.0576 54.1156 40.0349 176.5471 95 W 4.4825 8.0336 119.0846 56.2084 29.8140 174.5269 96 E 2.5400 7.3200 119.6750 57.6997 28.9504 177.2386 97 G 4.1598 7.6276 114.7776 45.6340 0.0000 174.5129 98 K 4.0336 7.8496 118.2506 58.5767 32.1967 177.5498 99 F 4.6219 8.0596 117.4700 57.0723 39.4462 177.0688 100 D 4.5856 8.3705 122.2938 56.5920 40.8794 178.1855 101 F 4.4819 7.9774 112.7950 58.2548 38.2517 176.1651 102 L 4.3285 7.0959 121.0828 55.0185 41.5182 178.2209 103 K 4.5208 8.0342 120.6307 58.4150 32.0513 177.8525 104 D 4.6349 7.9964 116.8167 54.4227 39.8794 176.5130 105 Q 4.4799 7.7838 118.8848 57.1979 31.1268 174.4972 106 C 4.6816 7.2967 110.4182 57.0900 33.2782 172.6942 107 E 4.3557 8.8514 120.3082 56.0828 30.4441 175.3641 108 V 4.9436 8.3192 125.5468 61.1067 34.0445 174.6820 109 V 4.3350 8.7820 127.4199 61.2258 34.8384 173.4065 110 Y 5.2589 8.5925 124.9961 56.4516 39.7884 174.8438 111 L 4.6883 9.0018 125.4503 52.3772 43.7930 174.5408 112 P 5.3964 0.0000 0.0000 62.2477 31.6972 176.7863 113 R 4.0438 8.6713 123.3514 56.4505 30.6255 176.7302 114 T 4.2831 8.1461 116.7191 62.4672 68.2965 175.1523 115 E 3.9785 8.5239 126.6407 57.6801 30.0293 177.7480 116 G 4.0530 10.3262 109.7090 45.3988 0.0000 173.0206 117 I 4.2787 6.7603 117.6156 58.5371 41.0718 174.1205 118 S 4.4057 7.6744 119.3933 56.8963 66.5420 176.6842 119 T 3.9977 8.2302 119.3316 66.5589 68.1876 177.2544 120 T 3.9261 7.7723 111.8430 64.5569 68.9642 176.5670 121 K 3.9234 7.9767 122.5429 59.0533 32.1085 178.7769 122 I 3.6789 7.5891 119.6504 64.3797 36.8699 178.5405 123 K 3.9031 7.5994 117.1390 59.4804 31.9974 178.7967 124 E 4.1121 7.9366 117.3700 59.8335 29.5376 179.2291 125 E 4.1490 8.2051 116.9729 59.0476 29.6335 177.6260 126 I 4.0308 7.8639 123.8417 61.5430 37.3173 175.6867 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 4.37 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.50 0.00 2 K 8.96 4.38 0.00 1.91 1.80 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.50 7.81 3 K 9.45 4.96 0.00 1.89 1.74 0.00 1.49 0.00 0.00 1.72 0.00 0.00 2.48 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.30 7.81 4 V 8.82 4.99 2.17 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 1.03 0.00 0.00 0.94 0.00 0.00 5 I 8.44 5.63 1.88 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.31 1.13 0.00 0.00 6 T 8.05 4.93 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 1.17 0.00 0.00 7 Y 9.03 5.17 0.00 2.77 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 8 G 8.08 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 0.00 0.00 0.00 9 T 8.38 4.12 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 1.34 0.00 0.00 10 F 7.11 3.34 0.00 3.08 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 7.67 4.81 0.00 2.69 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 12 L 8.70 3.67 0.00 1.83 1.69 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.93 4.01 0.00 1.68 1.72 1.06 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 14 H 8.39 5.21 0.00 3.13 3.33 0.00 5.71 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.88 4.57 0.00 3.75 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.68 3.48 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 17 H 8.03 4.44 0.00 3.45 3.61 0.00 5.66 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 18 I 7.95 3.86 2.21 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.01 1.13 0.00 0.00 19 K 8.27 4.16 0.00 2.04 1.92 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.27 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.57 1.86 7.81 20 L 7.74 3.96 0.00 1.87 2.01 1.04 1.10 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 21 L 8.04 3.96 0.00 1.96 1.74 0.82 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.01 2.54 0.00 1.36 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 2.02 1.84 0.00 23 R 7.36 3.83 0.00 1.72 1.93 0.00 3.23 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 24 A 7.91 4.06 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 25 K 7.97 3.83 0.00 1.86 1.86 0.00 1.52 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.57 1.58 7.81 26 Q 7.49 4.23 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.62 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 27 L 7.78 4.48 0.00 1.85 1.66 0.96 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.34 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 29 D 8.91 5.00 0.00 2.69 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 30 Y 7.74 4.85 0.00 3.08 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 31 L 9.23 5.13 0.00 1.64 1.48 0.84 0.80 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 32 V 8.86 4.82 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 0.69 0.00 0.00 1.09 0.00 0.00 33 V 8.27 4.66 1.84 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 0.62 0.00 0.00 0.69 0.00 0.00 34 A 8.26 4.76 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.50 4.85 1.88 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 1.45 1.68 0.97 0.00 0.00 36 S 8.85 4.84 0.00 3.99 4.13 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 37 T 8.62 4.11 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 0.76 0.00 0.00 38 D 8.68 4.40 0.00 2.72 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 39 E 7.99 3.98 0.00 1.93 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 2.30 2.41 0.00 40 F 8.09 4.23 0.00 3.14 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.52 4.19 0.00 3.05 2.83 0.00 0.00 6.82 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 42 L 7.53 4.22 0.00 1.96 1.81 0.93 0.79 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 43 Q 7.66 4.22 0.00 1.76 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.55 0.00 44 K 7.42 4.53 0.00 1.85 1.90 0.00 2.08 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 0.87 7.81 45 Q 8.22 3.55 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.37 6.64 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 46 K 7.42 4.63 0.00 1.92 1.66 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.62 7.81 47 K 8.40 4.68 0.00 1.68 1.69 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.42 7.81 48 A 8.20 4.38 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 9.19 4.16 0.00 2.94 3.09 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 0.00 0.00 0.00 0.00 50 H 8.74 4.73 0.00 3.37 3.20 0.00 5.73 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.27 4.42 0.00 4.03 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 52 Y 8.36 4.05 0.00 3.13 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 53 E 8.20 3.74 0.00 2.07 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 2.39 0.00 54 H 7.86 4.32 0.00 3.16 3.21 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.60 3.93 0.00 1.81 1.99 0.00 3.42 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.86 0.00 56 K 7.90 3.77 0.00 1.20 1.57 0.00 1.40 0.00 0.00 1.31 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.25 1.24 7.81 57 L 7.50 3.82 0.00 1.85 1.81 0.88 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 58 I 7.55 3.79 1.84 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 1.37 0.71 0.90 0.00 0.00 59 L 7.64 3.86 0.00 1.75 1.50 0.43 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.92 4.00 0.00 2.15 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.20 0.00 61 T 7.51 4.26 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 1.21 0.00 0.00 62 I 7.10 3.70 1.87 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 1.23 0.77 0.85 0.00 0.00 63 R 8.59 3.74 0.00 1.27 1.76 0.00 3.08 0.00 0.00 2.99 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 64 Y 7.22 4.26 0.00 2.93 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.65 3.89 2.17 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 0.62 0.00 0.00 0.79 0.00 0.00 66 D 8.30 4.50 0.00 1.58 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 0.00 0.00 0.00 67 E 7.49 4.71 0.00 2.01 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 2.36 2.29 0.00 68 V 8.31 4.94 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 0.76 0.00 0.00 0.78 0.00 0.00 69 I 8.35 4.86 1.85 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 1.12 0.50 0.88 0.00 0.00 70 P 0.00 4.99 0.00 1.95 2.13 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 71 E 9.31 4.32 0.00 2.14 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 1.47 2.20 0.00 72 K 9.40 4.14 0.00 1.71 1.73 0.00 1.55 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.30 1.25 7.81 73 N 7.19 4.70 0.00 2.82 2.74 0.00 0.00 6.05 8.88 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 74 W 8.80 4.46 0.00 3.51 3.37 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 75 E 8.40 3.90 0.00 2.17 2.17 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 2.44 2.45 0.00 76 Q 8.43 4.13 0.00 2.33 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.76 0.00 0.00 0.00 0.00 0.00 2.50 2.61 0.00 77 K 7.42 3.97 0.00 1.66 1.77 0.00 1.51 0.00 0.00 0.95 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.75 1.02 7.81 78 K 8.11 3.99 0.00 1.85 1.90 0.00 1.73 0.00 0.00 1.89 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.85 1.67 7.81 79 Q 8.08 4.02 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.70 0.00 80 D 8.15 4.44 0.00 3.15 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.79 3.76 2.05 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.94 0.93 0.00 0.00 82 I 7.51 3.70 2.02 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 1.53 1.05 0.91 0.00 0.00 83 D 8.50 4.36 0.00 2.67 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 84 H 8.21 4.64 0.00 3.23 3.32 0.00 5.80 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 N 7.84 4.19 0.00 2.78 2.83 0.00 0.00 6.93 7.12 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 86 I 7.67 4.06 1.93 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 1.36 0.82 1.06 0.00 0.00 87 D 9.40 4.90 0.00 2.63 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 88 V 7.68 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 0.96 0.00 0.00 0.94 0.00 0.00 89 F 9.45 5.33 0.00 3.07 2.93 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 90 V 7.54 5.17 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 0.71 0.00 0.00 0.82 0.00 0.00 91 M 8.16 4.83 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 1.76 0.00 92 G 8.93 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 0.00 0.00 0.00 0.00 93 D 9.32 4.82 0.00 2.88 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 94 D 8.07 4.58 0.00 2.53 2.71 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 95 W 8.03 4.48 0.00 3.93 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 96 E 7.32 2.54 0.00 1.78 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 0.00 2.20 2.09 0.00 97 G 7.63 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 0.00 0.00 0.00 98 K 7.85 4.03 0.00 1.66 1.49 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.68 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.64 7.81 99 F 8.06 4.62 0.00 3.27 2.38 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 0.00 100 D 8.37 4.59 0.00 2.81 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 0.00 101 F 7.98 4.48 0.00 3.12 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 0.00 102 L 7.10 4.33 0.00 1.31 1.40 -0.23 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 103 K 8.03 4.52 0.00 1.77 1.89 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.40 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.49 7.81 104 D 8.00 4.63 0.00 2.85 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 0.00 105 Q 7.78 4.48 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.63 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 106 C 7.30 4.68 0.00 3.09 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 0.00 107 E 8.85 4.36 0.00 2.11 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 0.00 2.30 2.26 0.00 108 V 8.32 4.94 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 0.66 0.00 0.00 0.90 0.00 0.00 109 V 8.78 4.34 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 0.91 0.00 0.00 0.90 0.00 0.00 110 Y 8.59 5.26 0.00 2.99 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 0.00 111 L 9.00 4.69 0.00 1.63 1.62 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 5.40 0.00 1.97 2.04 0.00 3.78 0.00 0.00 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 113 R 8.67 4.04 0.00 1.84 1.86 0.00 3.29 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 114 T 8.15 4.28 4.13 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 1.30 0.00 0.00 115 E 8.52 3.98 0.00 2.00 1.91 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 2.34 2.28 0.00 116 G 10.33 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 6.76 4.28 0.56 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 -0.28 -0.05 0.00 0.00 118 S 7.67 4.41 0.00 3.96 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 0.00 119 T 8.23 4.00 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 1.24 0.00 0.00 120 T 7.77 3.93 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 0.00 121 K 7.98 3.92 0.00 1.84 1.94 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.18 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.54 1.48 7.81 122 I 7.59 3.68 2.01 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 1.52 0.71 0.91 0.00 0.00 123 K 7.60 3.90 0.00 1.75 1.85 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.67 7.81 124 E 7.94 4.11 0.00 2.20 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 2.34 2.42 0.00 125 E 8.21 4.15 0.00 1.94 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 2.35 2.53 0.00 126 I 7.86 4.03 2.03 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 1.37 0.64 0.86 0.00 0.00