NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2525 8.3149 121.7915 56.4774 33.8717 176.5490 2 V 3.7102 7.7935 108.2577 60.0823 31.8270 175.2356 3 K 3.7431 8.4993 121.6682 55.6423 31.9408 174.7262 4 F 4.2725 8.5433 123.3378 57.7621 39.4179 173.0210 5 T 3.8339 6.7047 115.7379 60.7528 69.5118 172.9195 6 E 3.7403 7.9442 122.8247 59.3699 28.9262 179.2995 7 E 3.9467 8.0737 118.0514 59.6930 29.5691 179.2332 8 E 4.1829 8.0144 117.9108 59.1724 29.3588 178.6138 9 D 4.3825 7.7448 118.2942 57.2906 40.8333 178.3203 10 L 4.1678 8.0840 119.5729 57.7278 41.5682 179.6554 11 K 3.8646 7.7930 117.3336 58.9361 31.9167 179.0150 12 L 4.0599 7.9381 120.9630 58.4551 42.1008 178.7162 13 Q 4.1247 7.8909 117.9608 59.5323 28.8878 178.6350 14 Q 3.9327 7.6233 118.5752 58.7963 28.7213 178.5438 15 L 3.5032 8.2529 120.4502 57.6653 41.6202 179.7397 16 V 3.0796 8.1370 118.4677 65.9682 31.0790 177.7574 17 M 3.8099 7.3508 116.5578 58.3241 32.0945 178.0616 18 R 3.9519 7.3141 117.1552 59.0184 30.5787 178.0246 19 Y 4.4857 7.7407 115.5526 61.3275 38.5226 173.9197 20 G 3.5130 7.4600 103.3083 44.1607 0.0000 173.9932 21 A 4.2739 8.2067 124.8331 51.3811 19.4602 177.3030 22 K 4.7104 7.3037 118.5614 58.0780 36.8954 176.7561 23 D 4.6190 7.5001 118.7731 53.8265 39.8193 177.3508 24 W 4.3216 7.8892 120.4794 58.9528 29.3690 177.9938 25 I 3.8198 7.7295 112.5421 63.7128 37.1749 177.7305 26 R 3.7396 7.6848 120.4728 59.2925 29.6986 178.5563 27 I 3.8995 7.4511 119.0472 64.1040 37.0760 177.8793 28 S 5.0804 7.7718 115.7094 60.0145 62.6891 175.7385 29 Q 4.1859 7.5886 120.3861 57.6617 28.7044 177.1758 30 L 4.6838 7.7077 118.3809 54.8156 42.8852 175.9783 31 M 4.6031 8.3009 118.2813 53.7436 33.6417 175.3313 32 I 4.3192 8.1404 123.9368 61.3315 39.4390 176.6052 33 T 4.4475 7.8360 108.7090 61.9114 68.6272 174.0164 34 R 4.5382 7.4499 120.8740 54.4355 33.4877 174.1966 35 N 4.3455 8.6034 122.0886 53.0733 39.4809 173.5884 36 P 4.2780 0.0000 0.0000 66.2216 31.3971 178.7394 37 R 3.6784 7.8141 115.7154 58.8681 29.9712 178.8266 38 Q 3.9340 8.2764 118.5315 58.7033 28.5178 178.1873 39 C 4.0073 7.5665 118.2498 62.5800 28.0891 175.9927 40 R 2.9610 6.8878 119.8434 58.5927 29.6809 177.8124 41 E 3.9069 7.9230 119.4096 59.1546 29.4241 178.9492 42 R 3.9673 7.9751 118.6534 59.1387 30.2883 178.0706 43 W 4.4862 8.0752 128.3474 60.8854 30.5458 177.4961 44 N 4.0306 8.7016 115.6181 55.5080 38.3842 175.5611 45 N 4.9064 7.6128 115.0968 52.8555 39.1398 173.9721 46 Y 4.6400 7.7185 120.4572 58.8698 42.2215 176.0552 47 I 3.9998 7.6704 109.6371 61.3709 39.0000 176.4129 48 N 3.6900 7.6633 120.0539 55.2369 38.9803 172.6671 49 P 4.7664 0.0000 0.0000 61.2360 34.3773 173.8785 50 A 4.6312 7.2926 112.8128 51.4031 18.6355 179.1703 51 L 4.4272 7.3937 122.5630 54.5834 39.6213 177.8441 52 R 4.1823 7.5044 125.7481 57.9431 33.7478 174.8412 53 T 3.3162 9.4849 110.4947 65.6722 65.8471 171.2564 54 D 4.6959 7.6794 120.6764 53.0108 41.2621 174.7434 55 P 4.3263 0.0000 0.0000 62.3339 31.3247 176.5068 56 W 4.6543 7.0917 123.6201 57.1841 30.3780 175.8991 57 S 4.6876 9.3832 116.7991 57.1193 63.6263 174.0370 58 P 4.3965 0.0000 0.0000 65.8481 30.3011 178.8988 59 E 4.0659 8.2201 117.2869 59.3982 29.3545 178.8800 60 E 4.1140 8.4801 118.7428 59.0490 29.1874 178.5628 61 D 4.6227 8.2745 117.7639 57.9219 41.1725 177.9584 62 M 4.0352 8.0583 116.5839 56.9903 32.3222 177.9446 63 L 4.2355 7.5349 120.2362 57.7578 42.2929 178.5343 64 L 4.0514 8.5448 118.2536 57.2440 41.8119 178.6054 65 D 4.6984 7.8351 118.4147 57.4376 40.9608 177.8934 66 Q 4.0925 7.9574 118.0517 58.1579 30.5526 176.9926 67 K 4.4054 8.1472 120.4712 54.4477 29.1990 174.5255 68 Y 4.1527 6.9041 126.9267 58.4518 44.6055 174.9967 69 A 4.1872 7.7497 118.6757 53.2259 18.5937 177.4370 70 E 4.1816 7.3735 113.6573 56.6768 31.6075 176.1070 71 Y 4.7371 7.0773 115.6578 60.0559 39.6190 175.8033 72 G 3.4354 7.3922 111.4275 46.1559 0.0000 172.5647 73 P 4.0731 0.0000 0.0000 62.8492 32.6058 177.4570 74 K 4.2385 7.3849 116.4260 56.3862 29.4319 177.5770 75 W 4.5353 7.7507 121.3823 60.1980 29.2149 177.6635 76 N 4.3096 8.2669 115.7082 56.7006 38.5951 176.3679 77 K 3.8915 8.1688 119.7112 58.7708 32.2956 179.3844 78 I 3.8362 7.4822 120.1162 64.1343 36.7623 178.1741 79 S 4.2339 8.5470 115.0883 60.6857 62.5156 176.3419 80 K 3.6773 7.1700 121.1567 58.5823 31.9248 178.4146 81 F 4.8582 7.5080 116.8464 57.8599 40.0563 175.9795 82 L 4.6923 7.0473 118.8688 52.0413 41.2121 174.6348 83 K 4.2590 8.1102 120.5741 55.9855 30.6693 174.2049 84 N 4.4599 7.6893 130.6467 53.1154 41.3754 174.4576 85 R 4.8240 7.7290 114.1959 54.3399 33.2424 175.3493 86 S 4.8332 8.0891 115.5618 56.8105 67.1223 173.5579 87 D 4.3078 8.8857 120.2322 58.3559 38.1195 177.7627 88 N 4.3686 8.0713 118.5608 54.4037 39.0784 176.5805 89 N 4.3129 7.9975 118.5092 56.1263 39.5170 176.7907 90 I 3.9112 8.1232 121.5210 64.2812 37.2947 178.2508 91 R 3.5767 7.8499 119.7680 59.4649 29.8772 178.2136 92 N 4.3621 7.6533 115.6815 56.6429 38.5495 177.7566 93 R 3.8693 8.1443 119.2942 58.6072 30.0211 178.9984 94 W 4.4907 9.0510 128.8322 60.9287 30.5621 177.8236 95 M 4.0833 7.9708 116.4844 58.5387 31.7786 177.6795 96 M 4.1000 7.9304 118.5623 58.7451 32.4798 178.1798 97 I 3.5763 8.2522 118.9153 63.7891 37.9850 177.6512 98 A 3.7986 7.8886 121.8534 54.8206 17.8665 179.5288 99 R 3.7749 7.5721 116.6640 59.2127 30.4009 177.4317 100 H 4.5026 7.8453 117.1876 57.8911 30.1963 176.8444 101 R 3.7697 8.1574 120.5367 59.2127 29.9776 177.1183 102 A 4.0344 8.1264 117.9551 52.1140 18.4017 178.7119 103 K 3.6543 7.5342 116.3589 56.0004 31.4093 174.9812 104 H 4.6482 7.9636 114.9993 54.7700 29.1637 172.9384 105 Q 4.2074 8.4131 124.2378 56.2936 29.2909 175.1153 106 K 4.6844 8.0922 122.1289 56.3652 40.0763 175.4251 107 S 4.2312 7.7684 116.6314 58.9332 62.1646 174.9283 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 K 8.31 4.25 0.00 1.74 1.91 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.48 7.81 2 V 7.79 3.71 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 0.82 0.00 0.00 0.96 0.00 0.00 3 K 8.50 3.74 0.00 1.94 1.89 0.00 1.90 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.43 7.81 4 F 8.54 4.27 0.00 3.02 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 T 6.70 3.83 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 1.27 0.00 0.00 6 E 7.94 3.74 0.00 1.96 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 0.00 2.26 2.27 0.00 7 E 8.07 3.95 0.00 1.99 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 2.38 2.38 0.00 8 E 8.01 4.18 0.00 2.15 2.40 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 2.58 2.56 0.00 9 D 7.74 4.38 0.00 2.07 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.08 4.17 0.00 1.89 1.73 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.79 3.86 0.00 2.13 1.92 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.49 1.68 7.81 12 L 7.94 4.06 0.00 2.08 2.17 1.30 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 7.89 4.12 0.00 2.44 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.89 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 14 Q 7.62 3.93 0.00 2.25 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 15 L 8.25 3.50 0.00 1.95 1.77 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.14 3.08 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.74 0.00 0.00 17 M 7.35 3.81 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 18 R 7.31 3.95 0.00 1.15 1.51 0.00 3.05 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.45 0.00 19 Y 7.74 4.49 0.00 2.71 2.70 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 20 G 7.46 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 4.27 1.33 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 0.00 0.00 22 K 7.30 4.71 0.00 1.68 1.73 0.00 1.84 0.00 0.00 1.72 0.00 0.00 3.22 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.55 7.81 23 D 7.50 4.62 0.00 2.71 2.52 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 0.00 0.00 0.00 0.00 24 W 7.89 4.32 0.00 3.42 3.22 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 0.00 25 I 7.73 3.82 1.84 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 1.53 0.59 0.93 0.00 0.00 26 R 7.68 3.74 0.00 1.76 0.92 0.00 2.89 0.00 0.00 2.91 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.79 0.00 27 I 7.45 3.90 2.19 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.53 1.07 0.00 0.00 28 S 7.77 5.08 0.00 4.01 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 29 Q 7.59 4.19 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.57 0.00 30 L 7.71 4.68 0.00 1.77 1.76 1.06 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 31 M 8.30 4.60 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 32 I 8.14 4.32 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 1.47 1.31 0.91 0.00 0.00 33 T 7.84 4.45 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 34 R 7.45 4.54 0.00 1.59 1.68 0.00 3.07 0.00 0.00 2.89 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.41 0.00 35 N 8.60 4.35 0.00 2.71 2.82 0.00 0.00 7.01 7.68 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 36 P 0.00 4.28 0.00 2.18 2.16 0.00 3.62 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 37 R 7.81 3.68 0.00 1.76 1.86 0.00 3.08 0.00 0.00 3.30 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 38 Q 8.28 3.93 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.53 0.00 39 C 7.57 4.01 0.00 2.90 3.07 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 40 R 6.89 2.96 0.00 0.67 1.05 0.00 3.22 0.00 0.00 2.95 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 41 E 7.92 3.91 0.00 2.12 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 2.30 2.30 0.00 42 R 7.98 3.97 0.00 2.01 2.17 0.00 3.48 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.45 0.00 43 W 8.08 4.49 0.00 3.67 3.39 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 44 N 8.70 4.03 0.00 2.73 2.99 0.00 0.00 7.11 8.02 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 45 N 7.61 4.91 0.00 2.96 2.84 0.00 0.00 6.95 7.52 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 46 Y 7.72 4.64 0.00 2.80 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 47 I 7.67 4.00 2.04 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.28 1.09 0.00 0.00 48 N 7.66 3.69 0.00 1.44 2.56 0.00 0.00 7.05 7.14 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 49 P 0.00 4.77 0.00 2.13 1.97 0.00 3.45 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.98 0.00 50 A 7.29 4.63 1.19 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 51 L 7.39 4.43 0.00 1.74 1.72 1.01 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 52 R 7.50 4.18 0.00 1.72 1.79 0.00 3.28 0.00 0.00 3.16 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 53 T 9.48 3.32 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 54 D 7.68 4.70 0.00 2.80 2.65 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 0.00 0.00 0.00 0.00 55 P 0.00 4.33 0.00 1.37 1.09 0.00 3.49 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 1.69 1.79 0.00 56 W 7.09 4.65 0.00 3.51 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 9.38 4.69 0.00 4.11 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 58 P 0.00 4.40 0.00 2.20 2.17 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 59 E 8.22 4.07 0.00 2.12 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 2.44 2.50 0.00 60 E 8.48 4.11 0.00 2.43 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 2.41 2.41 0.00 61 D 8.27 4.62 0.00 3.09 2.90 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 62 M 8.06 4.04 0.00 2.10 2.16 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 2.80 2.60 0.00 63 L 7.53 4.24 0.00 1.97 1.88 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.54 4.05 0.00 1.82 1.52 0.91 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 65 D 7.84 4.70 0.00 2.94 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 66 Q 7.96 4.09 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.45 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 67 K 8.15 4.41 0.00 1.79 1.89 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.58 1.58 7.81 68 Y 6.90 4.15 0.00 2.50 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 69 A 7.75 4.19 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 70 E 7.37 4.18 0.00 1.25 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 2.15 2.10 0.00 71 Y 7.08 4.74 0.00 2.85 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 72 G 7.39 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.07 0.00 2.13 2.05 0.00 3.55 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.88 0.00 74 K 7.38 4.24 0.00 2.10 1.70 0.00 1.49 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.44 7.81 75 W 7.75 4.54 0.00 3.36 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 76 N 8.27 4.31 0.00 2.73 2.83 0.00 0.00 6.99 6.67 0.00 0.00 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 K 8.17 3.89 0.00 1.66 1.44 0.00 1.54 0.00 0.00 1.49 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.46 7.81 78 I 7.48 3.84 2.37 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.72 1.18 0.00 0.00 79 S 8.55 4.23 0.00 4.07 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 80 K 7.17 3.68 0.00 1.36 1.62 0.00 1.49 0.00 0.00 1.50 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.39 7.81 81 F 7.51 4.86 0.00 3.15 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 82 L 7.05 4.69 0.00 1.60 1.58 0.97 0.79 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 83 K 8.11 4.26 0.00 1.73 1.78 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.43 7.81 84 N 7.69 4.46 0.00 2.77 2.79 0.00 0.00 6.90 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 85 R 7.73 4.82 0.00 1.94 1.90 0.00 3.49 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.09 0.00 86 S 8.09 4.83 0.00 4.09 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 87 D 8.89 4.31 0.00 2.91 2.85 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 88 N 8.07 4.37 0.00 2.89 2.93 0.00 0.00 6.84 6.82 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 89 N 8.00 4.31 0.00 2.76 2.95 0.00 0.00 7.24 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 90 I 8.12 3.91 1.42 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 1.52 0.82 -0.28 0.00 0.00 91 R 7.85 3.58 0.00 1.90 2.07 0.00 3.31 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.80 0.00 92 N 7.65 4.36 0.00 3.16 2.84 0.00 0.00 7.10 7.55 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 93 R 8.14 3.87 0.00 2.12 1.61 0.00 2.99 0.00 0.00 2.95 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.19 0.00 94 W 9.05 4.49 0.00 3.28 3.24 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 95 M 7.97 4.08 0.00 2.16 2.21 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 2.68 2.58 0.00 96 M 7.93 4.10 0.00 2.14 2.02 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 2.52 2.44 0.00 97 I 8.25 3.58 1.70 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.15 0.86 0.00 0.00 98 A 7.89 3.80 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 R 7.57 3.77 0.00 1.74 2.09 0.00 3.24 0.00 0.00 3.14 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 100 H 7.85 4.50 0.00 3.16 3.33 0.00 5.73 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 R 8.16 3.77 0.00 1.73 1.80 0.00 3.32 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 102 A 8.13 4.03 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 0.00 103 K 7.53 3.65 0.00 1.86 1.75 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.43 7.81 104 H 7.96 4.65 0.00 3.13 3.27 0.00 5.72 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Q 8.41 4.21 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 106 K 8.09 4.68 0.00 1.68 1.75 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.41 7.81 107 S 7.77 4.23 0.00 3.81 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