NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4117 8.2893 120.3486 55.3628 33.0302 174.7354 2 N 4.6533 8.5793 124.0826 51.4626 38.9134 173.0042 3 I 4.6048 8.8070 121.1150 59.5621 41.8565 176.2366 4 I 4.3890 8.3321 123.8558 59.5429 38.7147 175.2164 5 K 4.4341 8.6321 124.7939 54.4235 34.1489 176.1496 6 A 4.5384 8.4150 126.6121 50.8731 20.7160 175.0595 7 N 5.0558 8.2212 117.0577 51.9508 41.3960 174.9814 8 V 3.8605 8.1860 114.4817 62.6230 32.3032 176.7759 9 A 4.2604 8.1342 123.6401 52.0982 18.6483 177.9436 10 A 4.5965 8.2895 122.2913 51.1811 21.5917 174.1014 11 P 4.6695 0.0000 0.0000 65.0658 32.0962 178.8362 12 D 4.6462 8.0576 115.4596 54.2687 40.5620 175.8320 13 A 4.5839 7.6682 124.5885 51.9640 20.0000 178.3110 14 R 4.8234 9.5210 120.8894 55.1274 32.6974 175.7359 15 V 4.9379 8.8087 124.3983 59.9918 34.7906 173.9816 16 A 4.9378 8.4358 128.4376 50.0319 21.6518 175.1216 17 I 4.7936 8.5945 123.6775 59.5664 39.6532 174.6601 18 T 4.7885 8.5726 117.9637 60.0022 70.7680 173.5647 19 I 5.2714 8.2700 126.3605 58.2169 40.7404 174.4017 20 A 5.0878 8.4290 127.5722 51.1992 19.3060 177.9420 21 R 4.4450 9.2521 119.4799 58.3680 30.2818 176.9116 22 F 4.5908 8.2368 121.5197 59.9380 39.6518 174.3394 23 N 4.6795 9.8699 123.9921 54.4855 35.5747 176.1144 24 Q 4.1582 8.2906 120.3485 59.4397 28.0657 177.9471 25 F 3.8875 8.5023 121.5190 61.0653 39.4350 176.3714 26 I 4.2117 8.2787 118.7352 63.6821 37.8413 177.7136 27 N 4.3537 8.2796 116.6424 56.3387 38.2753 176.8875 28 D 4.5806 8.7518 120.7853 57.6850 41.0205 178.8811 29 S 4.0726 7.9590 112.9042 61.0449 62.4174 175.4617 30 L 4.0638 7.7742 123.2161 58.6641 41.6814 178.2998 31 L 3.8804 8.5313 120.6579 57.5457 41.9397 178.6349 32 D 4.4968 8.5259 118.5414 57.3231 40.9848 179.7692 33 G 3.5823 8.1531 105.7944 47.7780 0.0000 175.2614 34 A 3.9217 7.9078 123.4308 54.6818 18.3927 179.3702 35 V 3.4409 7.8373 116.4884 66.2856 31.5816 177.3933 36 D 4.2953 8.1859 117.2283 57.5610 41.0410 177.7672 37 A 3.9419 8.3130 121.2336 55.7206 18.3913 179.0313 38 L 3.8812 8.4494 116.9826 59.2922 41.7958 179.7221 39 T 4.1918 8.3205 111.1322 63.9175 68.5369 176.1484 40 R 3.8601 8.1975 123.6291 58.2415 30.3740 178.3555 41 I 4.2537 7.6265 117.7591 63.3956 38.1936 177.7060 42 G 3.8356 7.8118 103.6660 44.1692 0.0000 173.9052 43 Q 3.8303 8.0675 120.8303 56.4558 27.9603 172.8297 44 V 3.7883 7.5118 116.9021 62.0728 32.1376 175.2228 45 K 4.3581 8.5763 128.9208 56.2986 32.5946 176.5680 46 D 4.6865 8.7963 124.4077 53.9749 39.1337 176.1912 47 D 4.8005 7.9918 117.0842 53.7607 40.1822 176.3056 48 N 4.7123 8.4700 117.7871 53.6677 39.3637 174.0955 49 I 4.9777 7.5867 120.2288 60.2414 38.3974 175.2027 50 T 4.7090 8.7957 117.2850 59.6981 71.9405 172.9809 51 V 4.6100 8.4279 123.8064 61.0502 34.1061 174.5570 52 V 4.2992 8.9799 128.8673 60.7527 33.7121 174.5556 53 W 4.8065 8.9841 129.1403 56.6774 29.5221 176.4771 54 V 4.3888 8.6605 119.0889 59.0275 33.7396 174.7735 55 P 4.3198 0.0000 0.0000 65.0833 31.3815 177.1271 56 G 4.5124 7.9713 108.3391 42.8372 0.0000 174.0389 57 A 4.0642 8.4719 120.4009 54.7736 18.0989 179.2269 58 Y 4.2295 8.1510 117.0535 60.5641 39.2596 177.2806 59 E 4.1286 8.1778 119.1410 57.9101 29.6365 178.4584 60 L 3.8961 7.4913 119.4067 57.9892 41.6077 177.2384 61 P 4.1797 0.0000 0.0000 64.9961 31.2264 177.9385 62 L 3.9076 7.7830 117.9968 58.4653 41.9337 179.2093 63 A 3.9822 7.8309 120.1459 55.5704 18.3374 179.8206 64 T 3.8501 8.1527 108.3854 64.4415 68.7377 176.3125 65 E 3.8417 9.0184 123.0496 59.1863 29.5892 178.2507 66 A 4.0102 8.0077 120.6559 55.6085 18.1764 179.5935 67 L 4.0745 7.5232 115.0982 57.9301 41.9743 179.4933 68 A 4.2205 8.3111 120.7886 55.1605 18.2033 179.8121 69 K 3.9321 8.1683 116.1688 59.6340 32.1522 178.9427 70 S 4.1908 8.1996 113.0547 59.4920 61.3025 175.9569 71 G 3.9652 8.3193 107.8656 45.6402 0.0000 175.2969 72 K 3.8831 7.6966 120.0619 58.2477 32.3271 176.2014 73 Y 5.0602 6.9213 115.3551 56.2379 40.5367 175.3116 74 D 4.7342 9.2650 121.9129 55.8197 41.8031 176.3836 75 A 4.5324 7.3384 117.6523 51.2621 22.5218 175.0669 76 V 4.7059 8.2346 119.7909 61.0393 34.6112 174.4965 77 V 4.3609 8.7404 128.2701 61.5166 33.3280 174.1523 78 A 4.9503 8.6417 130.1840 49.6586 20.9150 175.1941 79 L 5.2379 8.0485 123.1648 52.6279 44.5244 176.3524 80 G 4.2166 7.7873 108.3402 45.8781 0.0000 171.8829 81 T 5.0579 8.5287 116.1433 61.5008 72.2209 174.3385 82 V 4.2248 9.0810 125.0403 61.3854 34.1479 173.8496 83 I 4.8627 8.1875 128.6871 59.4773 38.7532 175.9742 84 R 3.6584 8.4433 127.7871 56.5359 30.2813 176.3892 85 G 4.4314 8.3473 115.9736 44.3954 0.0000 173.0079 86 G 3.6384 8.7965 107.7815 47.4997 0.0000 173.3432 87 T 4.5131 7.5947 108.3759 59.7257 71.4561 173.5289 88 A 4.4748 8.3655 121.2579 52.7537 18.8205 178.6716 89 H 4.2742 8.3668 120.1440 60.3401 29.6265 176.8984 90 F 4.0288 8.4865 121.9560 61.5944 39.0445 176.6453 91 E 3.5895 8.0000 118.4411 59.4395 29.3591 178.2922 92 Y 4.3519 7.3773 115.7874 60.7017 38.3053 177.3100 93 V 3.6701 7.6797 119.4611 65.6837 31.5801 177.6752 94 A 4.0810 7.8468 120.5910 55.2715 18.1308 179.6835 95 G 3.6161 8.0409 104.5223 47.7523 0.0000 176.0614 96 G 3.8832 8.6535 108.2438 45.8130 0.0000 174.7249 97 A 4.3096 7.8531 122.5973 54.2414 19.7912 179.0697 98 S 4.1247 8.1776 111.6898 61.8816 62.3606 176.2841 99 N 4.4480 8.4666 119.3068 55.9151 38.3146 177.4968 100 G 3.6864 7.7070 106.0906 47.9898 0.0000 175.5277 101 L 3.9959 8.0800 121.7927 57.2643 41.7407 179.5820 102 A 3.9817 8.0241 120.5842 55.0691 18.2762 179.5566 103 S 3.9505 8.3302 111.8085 61.5318 62.4525 176.1579 104 V 3.5497 7.7435 120.7194 66.2861 31.1792 177.7101 105 A 4.3814 7.8233 121.1601 54.8194 17.9995 179.4351 106 Q 3.9352 7.6232 116.3156 59.1571 29.1437 177.8027 107 D 4.5267 8.0233 119.4480 57.0001 41.2658 178.4577 108 S 4.3591 8.3030 112.7489 58.6231 63.4978 175.6327 109 G 3.8966 8.0193 109.4004 45.7676 0.0000 173.7703 110 V 3.9725 7.4579 121.0905 61.5940 33.0263 173.6039 111 P 4.5689 0.0000 0.0000 62.6838 32.4864 175.1492 112 V 4.8659 8.4053 123.6006 61.0249 33.9812 174.2314 113 A 4.4545 8.8754 130.4060 50.9261 20.4210 176.1544 114 F 4.7026 9.0371 126.6629 56.3221 38.6363 175.9544 115 G 3.9674 8.1588 118.8631 45.0817 0.0000 171.1064 116 V 4.6201 6.1145 117.6861 60.4994 33.9091 176.0059 117 L 4.2415 8.6812 129.3949 55.1584 42.7574 176.6268 118 T 5.2502 8.5532 113.1102 59.8344 69.0741 172.6302 119 T 4.6193 8.7598 120.7958 60.9368 71.9669 175.0649 120 E 4.1332 9.8960 120.9193 57.2986 30.4943 177.2257 121 S 4.7016 7.5829 112.0173 55.6046 67.6031 174.7986 122 I 3.6765 8.2392 123.1429 64.2565 36.8434 177.9467 123 E 3.9081 8.2655 119.8767 59.8116 29.0979 179.0170 124 Q 4.1683 7.8135 115.8057 58.7800 29.0354 178.2679 125 A 4.1649 7.7772 121.9495 55.4243 18.3449 179.7483 126 I 3.7577 7.8635 118.1981 64.6394 37.1115 178.5515 127 E 4.5483 8.0535 120.2640 58.1242 29.2874 178.4463 128 R 4.5286 7.9724 115.7417 55.6460 30.4865 176.7223 129 A 4.6646 7.2707 122.0666 52.6606 19.5050 177.0436 130 G 4.4575 8.0518 108.0921 48.0570 0.0000 175.4237 131 T 4.6204 7.5336 115.2055 60.0579 68.7626 175.6983 132 K 3.7740 9.2503 117.0761 59.3158 31.7633 177.8892 133 A 4.5638 7.7750 119.3776 52.0449 19.9063 178.7680 134 G 3.7718 8.1584 111.1789 47.0482 0.0000 173.5092 135 N 5.2674 8.2164 116.9578 50.8810 40.6905 175.6265 136 K 3.9821 8.8579 128.6308 59.0057 32.1108 178.9643 137 G 4.0668 8.2791 107.8592 47.3065 0.0000 175.5656 138 A 4.0459 7.8768 123.3173 54.3880 18.4879 179.2181 139 E 3.8548 8.5259 117.9234 59.3440 29.7557 178.9301 140 A 4.0619 8.5342 122.3880 54.4589 18.4632 179.3722 141 A 3.9247 8.1663 119.4324 55.3219 18.3607 179.9507 142 L 3.9299 8.0730 117.6609 58.1884 41.4271 179.9016 143 T 3.8433 8.0983 109.3457 64.5287 68.4966 176.1564 144 A 4.0048 7.9840 123.9578 54.9954 18.4647 179.1477 145 L 3.8925 7.8577 116.7017 58.1322 41.7831 179.3316 146 E 4.0962 8.3978 119.0201 59.8717 29.3933 178.8309 147 M 4.0252 8.0607 118.3441 58.4467 31.9450 178.3870 148 I 3.6956 7.8162 119.9141 64.9388 37.3312 178.1393 149 N 4.3272 8.0155 116.3030 56.2215 38.1443 177.6101 150 V 3.5864 7.8027 119.0723 66.0584 31.7519 177.9256 151 L 4.0813 8.3779 118.9331 57.7640 41.3993 179.1823 152 K 3.8560 8.1227 118.5831 59.5637 32.0723 177.0314 153 A 4.4788 7.9730 119.8029 51.7377 19.2418 177.2513 154 I 3.9072 7.9232 121.0027 63.1645 37.6981 174.0429 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 8.29 4.41 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.58 4.65 0.00 2.95 2.79 0.00 0.00 6.06 6.93 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 3 I 8.81 4.60 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 1.41 0.67 0.91 0.00 0.00 4 I 8.33 4.39 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 1.41 0.61 0.91 0.00 0.00 5 K 8.63 4.43 0.00 1.70 1.70 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.39 7.81 6 A 8.41 4.54 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 7 N 8.22 5.06 0.00 2.66 2.68 0.00 0.00 6.99 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 8 V 8.19 3.86 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 0.75 0.00 0.00 0.93 0.00 0.00 9 A 8.13 4.26 1.34 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 0.00 0.00 0.00 10 A 8.29 4.60 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 11 P 0.00 4.67 0.00 2.23 2.38 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 12 D 8.06 4.65 0.00 2.69 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 13 A 7.67 4.58 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 14 R 9.52 4.82 0.00 1.42 1.79 0.00 3.21 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 8.81 4.94 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 0.92 0.00 0.00 0.95 0.00 0.00 16 A 8.44 4.94 0.31 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 17 I 8.59 4.79 1.68 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 1.16 0.88 0.73 0.00 0.00 18 T 8.57 4.79 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 1.09 0.00 0.00 19 I 8.27 5.27 0.77 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 -0.02 0.44 0.00 0.00 20 A 8.43 5.09 1.35 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 0.00 0.00 0.00 21 R 9.25 4.44 0.00 2.10 2.51 0.00 2.87 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.63 0.00 22 F 8.24 4.59 0.00 3.16 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 23 N 9.87 4.68 0.00 2.98 3.00 0.00 0.00 6.88 7.74 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 24 Q 8.29 4.16 0.00 2.52 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.70 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 25 F 8.50 3.89 0.00 3.15 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 26 I 8.28 4.21 2.12 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 1.67 1.02 0.95 0.00 0.00 27 N 8.28 4.35 0.00 2.87 2.92 0.00 0.00 7.07 8.08 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 28 D 8.75 4.58 0.00 2.65 2.72 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 29 S 7.96 4.07 0.00 3.81 3.96 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 30 L 7.77 4.06 0.00 1.92 1.63 0.97 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.53 3.88 0.00 1.77 1.77 0.77 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.53 4.50 0.00 2.87 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 33 G 8.15 3.58 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 34 A 7.91 3.92 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 35 V 7.84 3.44 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 0.94 0.00 0.00 36 D 8.19 4.30 0.00 2.83 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 37 A 8.31 3.94 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 38 L 8.45 3.88 0.00 1.83 1.73 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.32 4.19 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 40 R 8.20 3.86 0.00 1.84 2.26 0.00 3.24 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 41 I 7.63 4.25 2.09 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 1.45 0.97 0.91 0.00 0.00 42 G 7.81 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 43 Q 8.07 3.83 0.00 2.33 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.94 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 44 V 7.51 3.79 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 0.88 0.00 0.00 0.99 0.00 0.00 45 K 8.58 4.36 0.00 1.80 1.67 0.00 1.92 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.80 4.69 0.00 2.83 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 47 D 7.99 4.80 0.00 2.78 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 48 N 8.47 4.71 0.00 2.89 2.99 0.00 0.00 6.92 7.08 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 49 I 7.59 4.98 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.52 0.89 0.00 0.00 50 T 8.80 4.71 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 1.52 0.00 0.00 51 V 8.43 4.61 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 0.48 0.00 0.00 0.84 0.00 0.00 52 V 8.98 4.30 1.98 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 0.94 0.00 0.00 0.86 0.00 0.00 53 W 8.98 4.81 0.00 3.22 3.21 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 0.00 0.00 0.00 0.00 54 V 8.66 4.39 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 0.86 0.00 0.00 1.01 0.00 0.00 55 P 0.00 4.32 0.00 2.19 2.31 0.00 3.75 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 2.16 2.04 0.00 56 G 7.97 4.51 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 57 A 8.47 4.06 1.34 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 0.00 0.00 0.00 58 Y 8.15 4.23 0.00 2.91 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 59 E 8.18 4.13 0.00 2.01 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 2.62 2.58 0.00 60 L 7.49 3.90 0.00 1.76 1.72 0.86 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.18 0.00 2.03 1.88 0.00 3.66 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 2.10 0.00 62 L 7.78 3.91 0.00 1.63 1.67 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.83 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 T 8.15 3.85 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 65 E 9.02 3.84 0.00 2.05 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 0.00 2.31 2.33 0.00 66 A 8.01 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.52 4.07 0.00 1.71 1.69 0.65 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.31 4.22 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 69 K 8.17 3.93 0.00 1.87 1.90 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.63 1.60 7.81 70 S 8.20 4.19 0.00 3.90 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 71 G 8.32 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 0.00 0.00 0.00 72 K 7.70 3.88 0.00 1.45 0.82 0.00 0.62 0.00 0.00 1.16 0.00 0.00 2.75 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.17 1.23 7.81 73 Y 6.92 5.06 0.00 3.15 2.91 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 74 D 9.26 4.73 0.00 2.56 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 75 A 7.34 4.53 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 76 V 8.23 4.71 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 0.96 0.00 0.00 0.86 0.00 0.00 77 V 8.74 4.36 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 0.87 0.00 0.00 0.88 0.00 0.00 78 A 8.64 4.95 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.05 5.24 0.00 1.51 1.40 0.85 0.77 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 80 G 7.79 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 0.00 0.00 0.00 0.00 81 T 8.53 5.06 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 1.20 0.00 0.00 82 V 9.08 4.22 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 0.89 0.00 0.00 0.87 0.00 0.00 83 I 8.19 4.86 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.70 0.84 0.00 0.00 84 R 8.44 3.66 0.00 0.67 1.38 0.00 3.06 0.00 0.00 2.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.16 0.00 85 G 8.35 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 0.00 0.00 0.00 0.00 86 G 8.80 3.64 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 0.00 0.00 0.00 0.00 87 T 7.59 4.51 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 1.24 0.00 0.00 88 A 8.37 4.47 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 89 H 8.37 4.27 0.00 3.30 3.41 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.49 4.03 0.00 3.10 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 91 E 8.00 3.59 0.00 1.93 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 2.00 2.17 0.00 92 Y 7.38 4.35 0.00 2.98 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 93 V 7.68 3.67 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 1.04 0.00 0.00 0.77 0.00 0.00 94 A 7.85 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.04 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 96 G 8.65 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 97 A 7.85 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.18 4.12 0.00 3.71 3.99 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 99 N 8.47 4.45 0.00 2.80 2.83 0.00 0.00 6.96 7.59 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 0.00 100 G 7.71 3.69 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 0.00 0.00 0.00 101 L 8.08 4.00 0.00 1.88 1.82 1.06 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.02 3.98 1.34 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 0.00 0.00 0.00 103 S 8.33 3.95 0.00 3.95 4.02 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 0.00 104 V 7.74 3.55 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 1.06 0.00 0.00 0.98 0.00 0.00 105 A 7.82 4.38 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 0.00 106 Q 7.62 3.94 0.00 2.05 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 8.02 4.53 0.00 2.70 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 0.00 108 S 8.30 4.36 0.00 4.02 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 0.00 109 G 8.02 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 0.00 0.00 0.00 110 V 7.46 3.97 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 1.01 0.00 0.00 1.02 0.00 0.00 111 P 0.00 4.57 0.00 2.12 1.97 0.00 3.78 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 2.12 2.09 0.00 112 V 8.41 4.87 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 0.81 0.00 0.00 0.96 0.00 0.00 113 A 8.88 4.45 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 0.00 114 F 9.04 4.70 0.00 3.00 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 0.00 115 G 8.16 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 0.00 0.00 0.00 116 V 6.11 4.62 1.25 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 0.69 0.00 0.00 0.05 0.00 0.00 117 L 8.68 4.24 0.00 1.62 1.58 0.92 0.39 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 0.00 118 T 8.55 5.25 4.46 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 1.25 0.00 0.00 119 T 8.76 4.62 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 1.24 0.00 0.00 120 E 9.90 4.13 0.00 1.94 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 2.31 2.30 0.00 121 S 7.58 4.70 0.00 3.95 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 0.00 122 I 8.24 3.68 1.84 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 1.48 0.52 0.87 0.00 0.00 123 E 8.27 3.91 0.00 2.06 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 2.49 0.00 124 Q 7.81 4.17 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.71 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 125 A 7.78 4.16 1.38 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 0.00 126 I 7.86 3.76 2.01 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.08 0.99 0.00 0.00 127 E 8.05 4.55 0.00 2.24 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 2.34 2.39 0.00 128 R 7.97 4.53 0.00 1.87 1.94 0.00 3.11 0.00 0.00 3.19 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 129 A 7.27 4.66 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 0.00 130 G 8.05 4.46 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 0.00 0.00 0.00 131 T 7.53 4.62 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 1.26 0.00 0.00 132 K 9.25 3.77 0.00 1.77 1.95 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.48 7.81 133 A 7.78 4.56 1.27 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 0.00 0.00 0.00 134 G 8.16 3.77 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 0.00 0.00 0.00 135 N 8.22 5.27 0.00 2.70 2.65 0.00 0.00 6.93 7.34 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 0.00 136 K 8.86 3.98 0.00 1.83 1.82 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.47 7.81 137 G 8.28 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 0.00 138 A 7.88 4.05 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 0.00 139 E 8.53 3.85 0.00 2.03 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 2.31 2.33 0.00 140 A 8.53 4.06 1.35 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 0.00 0.00 0.00 141 A 8.17 3.92 1.35 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 0.00 0.00 0.00 142 L 8.07 3.93 0.00 1.98 1.72 0.91 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.10 3.84 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 1.28 0.00 0.00 144 A 7.98 4.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 L 7.86 3.89 0.00 1.86 1.89 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.40 4.10 0.00 2.02 1.97 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 2.32 2.38 0.00 147 M 8.06 4.03 0.00 2.09 2.36 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 2.63 2.91 0.00 148 I 7.82 3.70 2.07 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 1.69 0.90 0.92 0.00 0.00 149 N 8.02 4.33 0.00 2.95 2.86 0.00 0.00 6.75 8.30 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 0.00 150 V 7.80 3.59 2.22 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 0.83 0.00 0.00 0.99 0.00 0.00 151 L 8.38 4.08 0.00 1.87 1.69 0.93 0.91 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 0.00 152 K 8.12 3.86 0.00 1.82 2.10 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.51 7.81 153 A 7.97 4.48 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 I 7.92 3.91 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 1.16 0.71 0.91 0.00 0.00