NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4150 8.3044 120.3280 54.7892 33.4836 174.2591 2 E 3.8775 8.3032 120.3994 55.1380 30.2035 174.6781 3 A 4.1260 9.1602 129.3876 52.2518 20.0350 177.3867 4 L 4.0146 8.5153 122.8144 56.4462 41.8918 178.5518 5 G 3.8210 9.2120 104.4080 45.1955 0.0000 172.4062 6 A 4.4800 7.3015 116.9450 51.1576 21.8787 176.4634 7 D 4.7865 8.3075 120.2646 53.4113 42.8465 175.9336 8 V 4.6391 8.2432 121.5633 61.4414 34.3620 174.6394 9 T 4.4458 7.8609 124.9399 61.8842 69.2019 175.0219 10 Q 3.9574 8.8522 126.7315 56.5536 28.9775 176.8358 11 G 4.0413 8.7967 109.1463 46.2109 0.0000 173.0322 12 L 5.0234 8.0897 120.5453 52.9284 45.6688 175.1783 13 E 5.0750 8.7399 119.9203 53.9098 34.1991 175.0481 14 K 4.1760 8.1900 122.3686 57.7889 32.2691 176.8171 15 G 4.0873 8.8296 115.0594 45.2049 0.0000 174.0267 16 S 4.2989 7.9025 116.2060 58.7008 64.1483 173.1928 17 L 5.1959 8.4279 123.3663 53.2241 43.2837 175.6058 18 I 4.7050 8.8777 117.0643 59.2804 41.9128 173.9562 19 T 4.5150 8.4856 118.4763 62.8202 69.9681 174.4355 20 C 4.6839 8.5837 127.3288 57.8083 31.4830 173.7090 21 A 4.4947 8.3036 132.9843 49.5531 16.1413 174.9809 22 D 5.2743 7.5525 118.9183 53.5508 42.1845 176.2612 23 N 5.0170 8.4876 115.8731 52.9554 37.6100 176.0635 24 T 3.9116 7.8287 111.8658 64.7385 69.2319 174.4785 25 G 3.7379 8.1671 108.9993 45.2166 0.0000 173.1820 26 A 4.7340 7.3576 122.2839 51.6678 20.0472 176.4613 27 R 4.4728 8.9418 120.6085 57.3049 32.6537 175.7285 28 E 5.1610 8.0498 119.0842 54.2181 32.7282 174.2151 29 L 5.2517 8.7993 125.5234 52.7475 45.8178 175.1185 30 K 4.9890 8.8362 124.1256 54.3647 34.6597 175.3960 31 V 3.9986 8.6291 128.3271 63.4539 32.0155 175.9342 32 I 4.2662 8.8773 128.2589 62.8018 39.4516 175.8109 33 S 4.6958 7.7611 115.0478 57.3377 68.1735 173.2916 34 V 4.6279 8.1731 120.7932 60.9999 33.9059 174.3492 35 H 4.2597 9.0154 128.9326 57.8290 29.9344 175.4713 36 G 3.9197 8.7980 114.6870 45.5710 0.0000 172.2645 37 Y 4.5004 7.5546 120.3815 56.4264 39.9586 175.5344 38 S 4.1607 6.9661 119.9597 57.5632 65.1751 174.0183 39 G 4.0947 7.6744 124.5729 45.0422 0.0000 173.5116 40 T 4.5882 8.1487 119.2486 59.3090 70.5647 172.3283 41 K 3.9589 8.4870 124.8038 58.3543 32.2051 176.8084 42 N 4.5396 8.9669 121.6423 53.5798 37.2705 174.4870 43 R 4.0746 7.6928 119.0169 55.6417 30.6146 175.6614 44 L 4.2659 8.4754 126.0256 53.3022 42.1405 174.8204 45 P 4.5343 0.0000 0.0000 63.5615 31.8031 175.2190 46 K 4.9450 7.8362 121.5224 55.0112 35.3604 174.9887 47 A 4.7935 8.8343 122.9594 50.9729 23.3627 176.0558 48 G 4.1825 8.2513 105.7797 44.8383 0.0000 172.3923 49 L 4.0806 7.9592 119.8321 56.3322 41.9083 178.1917 50 G 4.0904 8.5030 110.3384 45.7644 0.0000 173.3798 51 D 4.8084 7.7675 119.5471 53.5774 42.9064 175.1948 52 K 4.8726 8.6414 122.6049 54.8462 34.1400 174.9987 53 I 5.0265 8.5710 120.6942 59.4056 41.3534 174.3909 54 T 4.7352 8.7974 120.4737 62.6417 70.2837 174.2366 55 V 5.0429 9.0031 125.0926 61.2681 35.9106 173.7597 56 S 5.2438 8.8671 119.1463 56.4196 66.4060 173.2516 57 V 4.1702 8.0784 123.0846 62.8286 31.6073 176.5479 58 T 4.1744 8.5897 126.0229 65.6888 69.2458 175.5335 59 K 4.5594 8.5424 118.4254 54.8756 36.9304 177.3079 60 G 4.0377 8.6409 108.0561 44.5673 0.0000 173.3812 61 T 4.0257 7.8958 110.8752 60.9194 69.3446 173.2908 62 P 4.2300 0.0000 0.0000 66.2107 31.3177 178.5463 63 E 4.1252 7.9848 115.7896 59.7148 29.7347 178.8219 64 M 4.1769 7.7872 117.8046 57.2067 32.0992 177.2865 65 R 3.9025 7.1966 117.2620 57.5944 30.6651 177.3540 66 R 3.9621 8.3488 118.2128 56.6158 28.9824 176.6262 67 Q 4.2037 7.5825 118.5451 55.5872 30.1702 175.4509 68 V 4.4823 8.3478 123.7985 61.8233 32.1046 174.5683 69 L 4.9572 8.6962 127.2895 52.9468 46.3324 175.7827 70 E 4.9790 8.5177 118.8005 55.9047 31.9405 175.0493 71 A 4.9143 8.5693 122.1762 51.2295 23.6796 175.1679 72 V 4.4886 8.2552 118.5197 60.8543 34.6792 174.8430 73 V 4.0204 8.3541 128.2185 63.0805 31.7819 176.2679 74 V 4.1324 9.0927 127.6409 63.6415 34.1178 175.4995 75 R 4.0204 7.4344 117.5332 54.1408 34.6938 174.2862 76 Q 4.8908 8.0707 118.7020 54.8976 31.7063 176.0131 77 R 4.1644 9.1518 121.0536 59.1397 30.4353 177.7811 78 K 4.1857 7.8865 118.8142 55.5971 32.6477 175.3412 79 P 4.8529 0.0000 0.0000 62.8314 32.7882 175.1351 80 I 4.8384 8.5073 115.1809 59.1466 41.6581 173.8311 81 R 5.0432 8.4764 123.3255 54.7791 32.1651 175.9878 82 R 4.6175 8.6561 125.2880 54.5051 31.3328 175.8264 83 P 4.2525 0.0000 0.0000 65.1484 31.3442 177.1098 84 D 4.6501 8.1169 115.8869 52.8938 39.7480 175.6970 85 G 4.1445 8.4179 109.2620 45.9944 0.0000 174.8758 86 T 3.9715 7.4786 114.7394 64.2458 69.4372 173.9702 87 R 5.0891 8.4631 123.6743 55.0113 32.5064 175.9390 88 V 4.5108 8.4896 121.2327 61.0835 34.8390 174.3802 89 K 4.9271 8.3599 125.2688 55.4400 35.9526 175.1914 90 F 4.7139 8.5044 119.7571 55.7806 41.1059 175.6490 91 E 4.1492 9.0364 120.0770 58.8093 29.6892 174.9431 92 D 4.7718 7.7641 115.6180 52.5668 42.9266 173.6652 93 N 5.2461 8.6957 114.8766 51.7568 40.9125 174.2668 94 A 5.2573 8.9439 124.1790 50.6931 23.3994 174.6201 95 A 4.9359 9.0851 120.6168 50.3344 23.6214 175.1872 96 V 4.5423 8.4101 119.5973 60.6853 34.3207 175.2653 97 I 4.2686 8.1330 127.7696 61.7669 37.9900 175.3115 98 V 4.8917 8.5609 125.5565 61.5411 35.1074 175.0224 99 D 4.9085 8.1436 124.0289 52.2066 41.7891 176.5229 100 E 3.9278 8.8493 116.9439 60.0061 29.5125 177.4649 101 N 4.6798 8.2406 112.9375 52.8847 38.6852 174.9625 102 E 3.8145 7.9586 116.2639 57.1602 27.7656 173.5514 103 D 4.8046 8.2234 119.8185 51.7681 42.1165 174.4894 104 P 4.6153 0.0000 0.0000 63.2758 31.5077 176.4982 105 R 3.9150 8.6354 122.7603 58.8155 30.2412 176.7696 106 G 3.9956 7.7165 105.6491 44.9667 0.0000 172.4775 107 T 4.3953 8.5510 113.7729 64.1923 70.1757 175.0752 108 E 4.8171 8.7899 119.6758 54.5072 34.0720 174.8347 109 L 4.9514 8.5186 121.9893 53.4498 43.8229 176.2074 110 K 4.3055 8.5782 122.4079 57.3167 33.5397 176.5699 111 G 3.8212 8.8775 111.5711 43.3075 0.0000 169.6509 112 P 4.8826 0.0000 0.0000 62.9879 32.5525 175.3748 113 I 4.7080 8.4255 118.2297 59.7874 42.2497 174.2918 114 A 5.0949 8.1144 126.7276 51.2466 19.6051 178.9818 115 R 3.8851 8.6537 120.2744 59.7458 28.8615 179.1992 116 E 4.0357 8.2548 118.4579 59.0931 29.3809 179.0281 117 V 3.8490 8.0686 117.9233 65.2628 31.1256 177.8834 118 A 4.0430 7.9540 120.6143 55.2132 18.0311 179.4185 119 Q 3.7623 7.7063 114.0432 57.9061 28.7157 177.8877 120 R 4.2403 7.1125 117.0601 56.1913 32.7252 176.7195 121 F 4.8139 7.8532 120.9892 54.7915 39.3227 176.0291 122 G 3.6750 8.4016 112.5554 47.5805 0.0000 172.5827 123 S 5.0010 8.0003 116.2742 60.1460 63.1307 176.3826 124 V 3.7592 7.7944 121.6773 65.8259 31.5589 177.5991 125 A 4.1154 8.1532 120.7904 54.8895 18.1862 179.2234 126 S 4.6891 8.6104 112.1501 58.4568 63.5390 175.4846 127 A 4.5882 7.5455 120.6323 52.6769 21.6282 177.3921 128 A 4.2268 8.2581 120.0579 52.4553 19.1463 177.9670 129 T 4.2963 8.4821 117.5381 65.3972 69.8266 175.6221 130 M 4.8113 7.7694 119.9046 53.5483 36.1957 174.5064 131 I 4.5197 8.5893 124.0350 59.6581 39.6106 175.7141 132 V 4.0128 8.9105 127.3567 62.8082 31.5317 175.5314 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 4.42 0.00 1.97 2.11 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 2.55 2.55 0.00 2 E 8.30 3.88 0.00 1.92 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 2.24 2.33 0.00 3 A 9.16 4.13 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 8.52 4.01 0.00 1.66 1.75 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.21 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 6 A 7.30 4.48 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 7 D 8.31 4.79 0.00 2.68 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 8 V 8.24 4.64 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 0.86 0.00 0.00 0.96 0.00 0.00 9 T 7.86 4.45 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 1.22 0.00 0.00 10 Q 8.85 3.96 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 11 G 8.80 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 12 L 8.09 5.02 0.00 1.66 1.50 0.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.74 5.08 0.00 1.85 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 14 K 8.19 4.18 0.00 1.67 1.72 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.61 7.81 15 G 8.83 4.09 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 0.00 0.00 0.00 16 S 7.90 4.30 0.00 3.80 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 8.43 5.20 0.00 1.50 1.58 0.95 0.76 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 18 I 8.88 4.71 2.00 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 1.32 0.80 0.88 0.00 0.00 19 T 8.49 4.52 4.31 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 1.19 0.00 0.00 20 C 8.58 4.68 0.00 2.97 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 21 A 8.30 4.49 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 7.55 5.27 0.00 2.79 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 8.49 5.02 0.00 2.81 2.89 0.00 0.00 5.95 7.71 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 24 T 7.83 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 1.24 0.00 0.00 25 G 8.17 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 0.00 0.00 0.00 26 A 7.36 4.73 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 27 R 8.94 4.47 0.00 1.75 1.93 0.00 3.06 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 28 E 8.05 5.16 0.00 2.00 1.74 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 2.25 2.43 0.00 29 L 8.80 5.25 0.00 1.57 1.47 0.88 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.84 4.99 0.00 1.76 1.62 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.33 7.81 31 V 8.63 4.00 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 0.92 0.00 0.00 0.95 0.00 0.00 32 I 8.88 4.27 1.97 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 1.22 0.93 0.91 0.00 0.00 33 S 7.76 4.70 0.00 3.74 3.73 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 34 V 8.17 4.63 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 0.97 0.00 0.00 0.84 0.00 0.00 35 H 9.02 4.26 0.00 3.17 3.37 0.00 6.04 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 8.80 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 7.55 4.50 0.00 2.94 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 38 S 6.97 4.16 0.00 3.81 3.68 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 39 G 7.67 4.09 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 0.00 0.00 0.00 40 T 8.15 4.59 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 41 K 8.49 3.96 0.00 1.75 1.74 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.49 7.81 42 N 8.97 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 7.69 4.07 0.00 1.83 2.08 0.00 3.37 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 44 L 8.48 4.27 0.00 1.69 1.62 1.02 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.53 0.00 2.13 2.43 0.00 3.68 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 46 K 7.84 4.94 0.00 1.61 1.69 0.00 1.47 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.99 1.06 7.81 47 A 8.83 4.79 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 8.25 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 0.00 0.00 0.00 0.00 49 L 7.96 4.08 0.00 1.71 1.66 1.04 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.50 4.09 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 0.00 0.00 0.00 51 D 7.77 4.81 0.00 2.94 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 8.64 4.87 0.00 1.91 1.71 0.00 1.58 0.00 0.00 1.84 0.00 0.00 2.76 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.38 1.46 7.81 53 I 8.57 5.03 1.92 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 1.17 0.58 0.88 0.00 0.00 54 T 8.80 4.74 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 1.21 0.00 0.00 55 V 9.00 5.04 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 1.04 0.00 0.00 0.90 0.00 0.00 56 S 8.87 5.24 0.00 3.88 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 57 V 8.08 4.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.95 0.00 0.00 58 T 8.59 4.17 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 1.30 0.00 0.00 59 K 8.54 4.56 0.00 1.71 1.62 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.41 7.81 60 G 8.64 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 7.90 4.03 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 4.23 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 7.98 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 7.79 4.18 0.00 2.04 2.10 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 2.61 2.71 0.00 65 R 7.20 3.90 0.00 1.96 1.87 0.00 3.26 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 66 R 8.35 3.96 0.00 2.01 2.08 0.00 3.15 0.00 0.00 3.22 7.24 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 7.58 4.20 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 68 V 8.35 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 8.70 4.96 0.00 1.57 1.47 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.52 4.98 0.00 2.03 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 8.57 4.91 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 72 V 8.26 4.49 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 0.62 0.00 0.00 -0.16 0.00 0.00 73 V 8.35 4.02 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.93 0.00 0.00 74 V 9.09 4.13 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 0.80 0.00 0.00 0.91 0.00 0.00 75 R 7.43 4.02 0.00 1.43 0.99 0.00 3.13 0.00 0.00 3.53 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.29 0.00 76 Q 8.07 4.89 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.64 0.00 77 R 9.15 4.16 0.00 1.86 2.07 0.00 3.18 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 78 K 7.89 4.19 0.00 1.76 1.74 0.00 1.68 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 1.95 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 8.51 4.84 2.12 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.87 0.99 0.00 0.00 81 R 8.48 5.04 0.00 1.92 1.81 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 82 R 8.66 4.62 0.00 2.11 1.82 0.00 3.37 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 83 P 0.00 4.25 0.00 2.04 2.13 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 84 D 8.12 4.65 0.00 2.77 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 85 G 8.42 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 86 T 7.48 3.97 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 1.19 0.00 0.00 87 R 8.46 5.09 0.00 1.67 1.83 0.00 3.31 0.00 0.00 3.15 7.21 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 8.49 4.51 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.89 0.00 0.00 89 K 8.36 4.93 0.00 1.92 1.69 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.73 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.23 1.40 7.81 90 F 8.50 4.71 0.00 3.04 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 9.04 4.15 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 7.76 4.77 0.00 2.67 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 93 N 8.70 5.25 0.00 2.62 2.72 0.00 0.00 6.48 7.10 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 94 A 8.94 5.26 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 95 A 9.09 4.94 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 96 V 8.41 4.54 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 0.96 0.00 0.00 0.90 0.00 0.00 97 I 8.13 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 0.69 0.90 0.00 0.00 98 V 8.56 4.89 1.93 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 0.73 0.00 0.00 0.84 0.00 0.00 99 D 8.14 4.91 0.00 2.89 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 8.85 3.93 0.00 1.98 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 2.32 2.34 0.00 101 N 8.24 4.68 0.00 2.83 2.85 0.00 0.00 6.97 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 0.00 102 E 7.96 3.81 0.00 2.20 2.30 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 2.31 2.33 0.00 103 D 8.22 4.80 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 0.00 104 P 0.00 4.62 0.00 2.15 2.05 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 105 R 8.64 3.91 0.00 1.78 1.97 0.00 3.23 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 106 G 7.72 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 0.00 0.00 0.00 107 T 8.55 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 8.79 4.82 0.00 1.83 1.76 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 2.21 2.26 0.00 109 L 8.52 4.95 0.00 1.52 1.56 0.99 0.83 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 0.00 110 K 8.58 4.31 0.00 1.63 1.73 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.35 7.81 111 G 8.88 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 0.00 112 P 0.00 4.88 0.00 2.28 2.18 0.00 3.80 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 2.13 2.12 0.00 113 I 8.43 4.71 2.01 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 1.13 0.60 0.92 0.00 0.00 114 A 8.11 5.09 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 0.00 115 R 8.65 3.89 0.00 2.02 2.27 0.00 2.80 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 116 E 8.25 4.04 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 117 V 8.07 3.85 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 1.29 0.00 0.00 1.01 0.00 0.00 118 A 7.95 4.04 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 0.00 119 Q 7.71 3.76 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 120 R 7.11 4.24 0.00 1.08 0.66 0.00 3.01 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.42 0.00 121 F 7.85 4.81 0.00 3.12 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 0.00 122 G 8.40 3.68 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 0.00 123 S 8.00 5.00 0.00 4.06 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 0.00 124 V 7.79 3.76 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 1.02 0.00 0.00 0.89 0.00 0.00 125 A 8.15 4.12 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 0.00 126 S 8.61 4.69 0.00 4.02 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 0.00 127 A 7.55 4.59 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 0.00 128 A 8.26 4.23 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 0.00 129 T 8.48 4.30 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 7.77 4.81 0.00 1.94 1.94 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 2.59 2.56 0.00 131 I 8.59 4.52 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 0.64 0.95 0.00 0.00 132 V 8.91 4.01 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