NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3074 8.2649 123.5856 51.6681 19.4831 177.0865 2 P 3.7447 0.0000 0.0000 62.5223 32.0702 170.4271 3 V 4.3723 8.2362 118.8132 59.9074 34.2366 175.1462 4 R 4.5340 8.4999 123.8407 55.7554 31.5421 175.6643 5 S 5.6279 8.6539 117.8716 57.2257 67.6328 172.9887 6 L 4.8934 8.8029 120.1880 54.6540 44.1588 174.6940 7 N 5.4760 8.8528 118.4966 52.9560 40.6911 173.7517 8 C 5.2290 8.9233 116.5609 57.8448 33.7636 172.4251 9 T 5.1364 8.7696 108.9342 59.9227 71.8388 172.8490 10 L 5.4050 8.5997 120.9742 53.2314 45.6750 176.2520 11 R 5.0536 8.8189 119.9338 54.4696 34.6754 175.3034 12 D 4.5425 8.7708 123.2823 52.2627 40.3990 177.1951 13 S 4.1671 7.9202 113.2765 60.3352 61.7623 174.9082 14 Q 4.4032 8.4864 120.4283 55.5033 28.5601 175.9623 15 Q 3.5349 8.0095 115.1781 56.8388 26.9584 173.4610 16 K 4.3782 7.5424 114.7499 55.9883 33.7295 176.7428 17 S 5.0025 9.0374 120.3718 57.4827 65.5884 172.8410 18 L 5.2602 8.3374 120.9920 53.5429 43.8724 176.1658 19 V 4.7714 8.6817 115.4237 59.5515 36.6068 174.5911 20 M 4.0933 8.4750 122.5769 56.1425 31.8390 175.3515 21 S 4.1798 9.6436 121.6900 58.1205 63.2666 177.6016 22 G 4.2971 7.6866 116.5718 44.0216 0.0000 171.3511 23 P 4.1622 0.0000 0.0000 64.8468 31.7138 176.4042 24 Y 4.9245 7.5985 115.6341 57.1825 39.1984 174.3619 25 E 4.8838 8.0467 118.8956 54.6639 33.7733 173.5316 26 L 5.2948 8.6245 123.9404 52.9803 45.3299 175.4916 27 K 5.2363 9.2868 120.8508 54.5648 36.8167 174.8015 28 A 5.3769 8.6013 123.3427 50.3103 21.9498 175.3418 29 L 4.7582 8.6637 120.6482 54.6901 44.6047 174.5328 30 H 4.6966 10.2770 119.3444 55.7263 28.6812 174.8877 31 L 4.8077 8.2899 124.9944 53.4044 44.7142 175.0655 32 Q 4.5646 8.5603 122.2418 56.1938 32.8589 175.8283 33 G 3.8573 8.5116 110.9342 46.4453 0.0000 176.0240 34 Q 3.9926 8.8794 119.0926 59.7199 28.2998 178.6843 35 D 4.4305 8.1658 119.9056 56.6557 40.8885 177.8926 36 M 4.1583 8.0012 119.1485 58.8543 31.8529 177.4116 37 E 4.2399 7.8453 115.7218 57.8640 29.7343 178.3381 38 Q 4.1229 8.3451 118.7886 56.9682 29.3086 176.5093 39 Q 4.2800 7.1576 117.4968 56.0797 29.1000 176.4420 40 V 3.5882 8.2755 121.3178 62.8555 32.4632 175.1916 41 V 4.3160 7.9576 126.6934 61.2643 33.6061 174.5591 42 F 5.0098 9.2893 126.7985 56.2782 41.9182 175.0847 43 S 4.9204 9.1979 116.4915 56.9206 64.2891 172.3930 44 M 4.6527 9.0620 129.1866 54.7082 33.2839 174.8244 45 S 5.1897 8.7760 122.8332 57.0922 65.6303 173.7444 46 F 4.6484 9.0810 123.7108 56.7101 38.9498 175.9224 47 V 4.4261 7.7746 116.7976 59.6887 33.8977 175.8312 48 Q 4.2793 8.8741 121.0815 55.0369 29.2916 176.8268 49 G 3.9409 8.2899 111.5239 44.9399 0.0000 171.3811 50 E 3.9242 8.4388 120.5278 56.3143 29.6579 175.4332 51 E 4.8982 8.5814 126.4296 54.5599 32.6173 174.0708 52 S 4.7250 8.8324 117.3700 56.4374 65.8947 174.4283 53 N 4.6622 8.7167 119.4430 54.6847 37.5616 175.0574 54 D 4.8896 8.0276 116.3104 52.4700 41.8864 174.7133 55 K 4.7879 8.0426 119.8003 55.1315 35.2611 174.6430 56 I 4.9935 8.6533 129.2685 58.5997 40.2784 173.4643 57 P 5.0328 0.0000 0.0000 62.9797 32.7251 175.7899 58 V 4.8049 9.6443 116.2697 59.6774 36.8816 173.8252 59 A 5.4214 8.7804 122.6082 49.2735 22.4433 175.4423 60 L 4.7499 8.8964 120.6167 53.1361 44.3187 175.8750 61 G 3.7709 8.5725 110.8086 43.7350 0.0000 171.0980 62 L 4.4936 7.9926 120.2894 53.0589 43.2290 176.9663 63 K 3.9898 8.5298 125.1973 57.8883 32.4508 176.3233 64 E 3.8567 9.0038 123.4597 56.8194 27.0833 173.9877 65 K 4.5635 7.6626 117.0792 54.5811 36.3262 177.0485 66 N 4.8678 8.4823 122.1866 52.1415 35.7989 174.2755 67 L 5.3855 7.2575 119.4528 53.9661 46.6320 176.7958 68 Y 5.1343 9.0785 120.4092 55.8708 42.2897 174.8140 69 L 4.8387 8.9539 123.2068 55.0153 42.4489 176.5865 70 S 4.9817 9.8195 117.7658 56.7525 66.4371 172.1131 71 C 5.3566 8.7442 123.2386 58.2941 29.8538 173.7840 72 V 4.7042 8.7654 116.2901 59.4586 36.4268 174.4852 73 L 4.4579 8.5014 122.6188 54.1557 41.9194 176.6809 74 K 4.1999 8.5190 124.9327 55.3273 33.7492 175.1650 75 D 4.4499 8.8886 127.6070 55.7749 38.7355 173.0306 76 D 4.4145 8.3189 111.4680 54.4298 38.7421 173.9149 77 K 4.3121 7.2958 119.2056 54.0811 36.1228 173.2367 78 P 3.5713 0.0000 0.0000 63.2742 31.5350 175.7692 79 T 4.7160 8.8483 120.3734 61.6231 72.9207 172.6639 80 L 5.0905 8.6728 127.2136 54.4185 43.4834 175.4481 81 Q 4.7616 9.1860 122.6376 55.1001 32.6144 172.9849 82 L 5.0930 8.5768 120.3428 53.6447 43.1989 175.6255 83 E 4.7672 9.5200 125.0661 54.3778 32.6468 175.0288 84 S 5.0444 8.7496 122.4518 58.5609 63.8760 173.7545 85 V 4.4727 8.1171 115.6265 58.9168 36.0435 175.0644 86 D 4.4040 8.6877 121.8489 53.8685 41.1697 175.4378 87 P 4.4703 0.0000 0.0000 65.0683 31.3463 177.1849 88 K 4.2982 8.7185 117.7528 57.3587 32.5651 176.9459 89 N 4.7275 8.1485 113.8265 53.0863 39.1007 174.2466 90 Y 4.5638 7.5763 115.2655 55.2088 41.6112 173.3186 91 P 4.7553 0.0000 0.0000 62.0432 32.8926 175.0093 92 K 4.6162 7.7861 115.9280 54.8888 35.5070 176.4318 93 K 3.9989 8.7216 119.4692 58.7224 32.1080 176.2574 94 K 4.5225 7.6034 120.1576 54.7884 31.4114 174.8009 95 M 4.4504 8.0258 123.5978 53.6956 33.4695 176.5279 96 E 4.1497 8.8549 120.9209 56.2013 30.5899 178.0481 97 K 3.7360 8.8046 123.3865 59.5965 32.3709 178.9753 98 R 3.7239 7.6878 114.3238 58.2432 29.6701 177.6343 99 F 4.8154 8.0302 116.5229 57.7994 39.7958 175.0219 100 V 4.4610 7.3514 122.3713 61.8710 32.9659 174.3028 101 Y 5.0901 9.2010 124.6918 56.2647 42.2541 174.5910 102 N 4.9176 9.5263 121.1502 51.8844 40.0930 174.4424 103 K 4.3961 9.3160 127.7742 55.9494 33.5557 175.5061 104 I 4.8485 8.5857 129.5482 59.6424 39.6268 174.8150 105 E 4.8351 8.6446 127.6148 54.1010 29.6736 176.3288 106 I 4.4595 8.1122 121.6766 59.9327 37.2953 177.2072 107 N 3.5223 8.9782 111.2968 56.9121 38.0756 174.0172 108 N 4.9732 5.9160 110.0820 52.5317 40.1017 174.9927 109 K 4.7305 7.7562 118.6102 55.4602 35.2214 174.8858 110 L 5.1876 9.0872 120.7351 53.1337 45.3797 175.8551 111 E 5.1673 8.6156 120.2423 54.6465 34.1876 175.0789 112 F 5.2024 8.9751 120.9958 55.8866 41.7455 173.4470 113 E 4.6157 9.0306 125.9445 54.5024 31.2486 175.3002 114 S 4.2860 9.0169 122.5450 58.4392 62.3608 173.9926 115 A 4.0061 8.4855 129.8178 55.2210 18.2581 178.7970 116 Q 3.5228 7.9409 115.4816 58.4318 29.4700 176.1511 117 F 4.7230 8.0188 120.7168 54.3207 39.0720 172.4289 118 P 4.4859 0.0000 0.0000 64.3884 31.5961 176.3528 119 N 4.2919 9.7972 118.6259 53.6390 36.8014 173.5730 120 W 4.7827 7.8922 118.3590 55.1388 31.7665 174.6356 121 Y 5.4176 9.3133 121.8268 55.8411 41.5438 175.1266 122 I 4.3626 8.6602 123.3077 61.9051 37.6781 175.8404 123 S 5.0591 9.5274 122.5682 57.0360 67.7270 172.8594 124 T 5.1013 8.5219 110.6941 60.1180 72.2769 173.0461 125 S 4.9933 8.7391 116.7713 57.2846 63.5638 174.1439 126 Q 4.0772 8.7821 122.3317 58.6778 28.7894 177.4575 127 A 4.1863 7.6506 119.5222 51.8227 18.0167 176.5855 128 E 4.1780 8.5652 120.5312 56.7914 30.4890 176.0180 129 N 4.1201 8.2535 120.5657 55.0396 38.2704 173.6630 130 M 4.7621 7.1553 111.4505 52.3962 34.9523 174.3540 131 P 4.9393 0.0000 0.0000 62.8377 32.3472 176.3994 132 V 4.2902 8.7515 123.4694 63.0223 32.5208 174.9583 133 F 5.0875 9.0240 121.1356 55.7940 42.2455 172.3065 134 L 4.9809 8.9601 121.0847 53.8313 42.8900 175.5766 135 G 4.2969 9.5079 114.3681 44.4030 0.0000 173.5701 136 G 2.6222 7.8349 110.0724 44.1817 0.0000 173.3589 137 T 4.4568 7.3027 109.0707 59.4116 71.2635 173.5099 138 K 4.2398 8.5304 124.4043 55.1287 34.8695 175.9991 139 G 4.0151 8.4507 107.7412 46.2199 0.0000 172.4178 140 G 3.8116 7.1235 111.4011 45.0065 0.0000 172.6033 141 Q 4.0924 8.8356 119.2934 58.6306 29.1451 176.5086 142 D 4.7813 7.8114 115.8785 53.5614 42.3224 175.3965 143 I 4.3390 8.3466 123.1013 60.6256 38.4667 176.3186 144 T 4.9285 8.4732 114.6364 60.9840 70.2732 173.0719 145 D 5.4136 7.6809 121.9550 52.0125 42.8255 174.8941 146 F 5.4948 9.5034 118.6197 56.3091 44.4094 173.2820 147 T 5.0660 9.0471 108.9818 60.2740 72.0233 172.6203 148 M 5.1771 8.6609 121.6199 53.9179 35.3459 174.5592 149 Q 4.7743 8.7151 123.1814 54.1099 32.1977 175.0192 150 F 4.9322 9.1431 122.1609 57.2519 40.3442 175.3741 151 V 4.7500 8.3849 114.2420 59.2669 34.9512 177.1413 152 S 4.0820 9.0694 118.5054 59.3976 62.9947 174.4032 153 S 4.1504 7.7603 120.4442 58.8665 63.6246 170.0963 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 A 8.26 4.31 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 2 P 0.00 3.74 0.00 2.15 2.02 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 3 V 8.24 4.37 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 0.84 0.00 0.00 1.00 0.00 0.00 4 R 8.50 4.53 0.00 1.89 1.96 0.00 3.06 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 5 S 8.65 5.63 0.00 3.78 3.80 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 6 L 8.80 4.89 0.00 1.95 1.92 1.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.85 5.48 0.00 2.72 2.79 0.00 0.00 6.56 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 8 C 8.92 5.23 0.00 2.92 2.82 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 9 T 8.77 5.14 4.28 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 1.27 0.00 0.00 10 L 8.60 5.41 0.00 1.51 1.57 -0.07 0.82 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 11 R 8.82 5.05 0.00 1.81 1.81 0.00 3.33 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 12 D 8.77 4.54 0.00 2.37 2.42 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 13 S 7.92 4.17 0.00 3.96 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 14 Q 8.49 4.40 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.18 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 15 Q 8.01 3.53 0.00 2.26 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.39 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 16 K 7.54 4.38 0.00 1.90 1.72 0.00 1.55 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.82 1.22 7.81 17 S 9.04 5.00 0.00 3.76 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 18 L 8.34 5.26 0.00 1.68 1.65 1.06 0.94 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 19 V 8.68 4.77 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 0.73 0.00 0.00 0.99 0.00 0.00 20 M 8.47 4.09 0.00 1.83 1.94 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.36 0.00 21 S 9.64 4.18 0.00 3.80 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 22 G 7.69 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 0.00 0.00 0.00 0.00 23 P 0.00 4.16 0.00 1.30 1.91 0.00 3.68 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 1.82 1.89 0.00 24 Y 7.60 4.92 0.00 3.01 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 25 E 8.05 4.88 0.00 2.06 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 2.32 2.40 0.00 26 L 8.62 5.29 0.00 1.67 1.57 1.08 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.29 5.24 0.00 1.65 1.68 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.38 7.81 28 A 8.60 5.38 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 29 L 8.66 4.76 0.00 1.98 1.74 0.94 0.87 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 30 H 10.28 4.70 0.00 3.09 3.34 0.00 5.79 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.29 4.81 0.00 1.56 1.52 0.93 0.77 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 Q 8.56 4.56 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.66 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 33 G 8.51 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 34 Q 8.88 3.99 0.00 2.25 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 35 D 8.17 4.43 0.00 2.71 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 36 M 8.00 4.16 0.00 2.12 2.24 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 2.61 2.66 0.00 37 E 7.85 4.24 0.00 2.10 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 2.34 2.38 0.00 38 Q 8.35 4.12 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 39 Q 7.16 4.28 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.27 0.00 40 V 8.28 3.59 1.66 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 -0.15 0.00 0.00 0.75 0.00 0.00 41 V 7.96 4.32 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 1.00 0.00 0.00 0.86 0.00 0.00 42 F 9.29 5.01 0.00 2.94 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 43 S 9.20 4.92 0.00 3.79 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 44 M 9.06 4.65 0.00 2.04 1.79 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.91 0.00 45 S 8.78 5.19 0.00 3.87 3.81 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 46 F 9.08 4.65 0.00 2.99 3.13 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 47 V 7.77 4.43 2.26 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 0.73 0.00 0.00 0.97 0.00 0.00 48 Q 8.87 4.28 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.07 0.00 0.00 0.00 0.00 0.00 2.60 2.47 0.00 49 G 8.29 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 50 E 8.44 3.92 0.00 1.94 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 2.30 2.25 0.00 51 E 8.58 4.90 0.00 1.97 1.81 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 2.22 2.42 0.00 52 S 8.83 4.72 0.00 3.82 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 53 N 8.72 4.66 0.00 2.86 2.95 0.00 0.00 5.77 8.06 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 54 D 8.03 4.89 0.00 2.69 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 55 K 8.04 4.79 0.00 1.89 1.70 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.42 7.81 56 I 8.65 4.99 2.02 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 1.36 0.98 1.19 0.00 0.00 57 P 0.00 5.03 0.00 2.15 2.22 0.00 3.73 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.04 0.00 58 V 9.64 4.80 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 0.43 0.00 0.00 1.08 0.00 0.00 59 A 8.78 5.42 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 60 L 8.90 4.75 0.00 1.30 1.18 -0.36 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.57 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 62 L 7.99 4.49 0.00 1.47 1.38 0.88 0.39 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 63 K 8.53 3.99 0.00 1.71 1.64 0.00 1.93 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.57 7.81 64 E 9.00 3.86 0.00 2.11 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 2.19 2.29 0.00 65 K 7.66 4.56 0.00 1.60 1.57 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.29 1.25 7.81 66 N 8.48 4.87 0.00 3.01 3.04 0.00 0.00 6.01 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 67 L 7.26 5.39 0.00 1.47 1.55 0.83 0.96 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 68 Y 9.08 5.13 0.00 2.72 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 69 L 8.95 4.84 0.00 1.61 1.72 0.58 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 70 S 9.82 4.98 0.00 3.85 3.66 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 0.00 0.00 0.00 0.00 71 C 8.74 5.36 0.00 2.86 3.12 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 72 V 8.77 4.70 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 0.62 0.00 0.00 0.95 0.00 0.00 73 L 8.50 4.46 0.00 1.51 1.53 0.94 0.40 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 74 K 8.52 4.20 0.00 1.68 1.58 0.00 1.70 0.00 0.00 1.55 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.30 7.81 75 D 8.89 4.45 0.00 2.80 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 76 D 8.32 4.41 0.00 2.83 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 77 K 7.30 4.31 0.00 1.86 1.47 0.00 1.25 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.61 7.81 78 P 0.00 3.57 0.00 0.49 0.49 0.00 2.43 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 79 T 8.85 4.72 4.29 0.00 0.00 0.00 0.00 0.00 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 80 L 8.67 5.09 0.00 1.78 1.69 1.09 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 9.19 4.76 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.62 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 82 L 8.58 5.09 0.00 1.86 1.88 1.00 0.91 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 83 E 9.52 4.77 0.00 2.06 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 2.29 2.26 0.00 84 S 8.75 5.04 0.00 3.86 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 85 V 8.12 4.47 1.05 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 0.04 0.00 0.00 0.67 0.00 0.00 86 D 8.69 4.40 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 87 P 0.00 4.47 0.00 2.26 2.22 0.00 3.86 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 88 K 8.72 4.30 0.00 1.90 1.92 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.56 7.81 89 N 8.15 4.73 0.00 2.79 2.64 0.00 0.00 6.75 6.84 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 90 Y 7.58 4.56 0.00 2.87 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 91 P 0.00 4.76 0.00 2.26 2.33 0.00 3.82 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 2.04 2.07 0.00 92 K 7.79 4.62 0.00 1.67 1.51 0.00 1.32 0.00 0.00 1.30 0.00 0.00 2.17 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.75 1.35 7.81 93 K 8.72 4.00 0.00 1.83 1.91 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.61 1.43 7.81 94 K 7.60 4.52 0.00 1.64 1.68 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.47 7.81 95 M 8.03 4.45 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.67 0.00 96 E 8.85 4.15 0.00 2.27 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 2.53 2.44 0.00 97 K 8.80 3.74 0.00 1.72 1.72 0.00 1.52 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.32 7.81 98 R 7.69 3.72 0.00 1.88 1.88 0.00 2.60 0.00 0.00 3.03 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.50 0.00 99 F 8.03 4.82 0.00 3.25 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 0.00 100 V 7.35 4.46 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 0.94 0.00 0.00 0.98 0.00 0.00 101 Y 9.20 5.09 0.00 3.05 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 0.00 102 N 9.53 4.92 0.00 2.68 2.81 0.00 0.00 6.70 7.28 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 0.00 103 K 9.32 4.40 0.00 1.89 1.86 0.00 1.63 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 0.92 7.81 104 I 8.59 4.85 1.88 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 1.26 1.00 0.98 0.00 0.00 105 E 8.64 4.84 0.00 1.89 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 2.29 2.25 0.00 106 I 8.11 4.46 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.56 0.88 0.00 0.00 107 N 8.98 3.52 0.00 2.68 2.64 0.00 0.00 6.58 7.79 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 0.00 108 N 5.92 4.97 0.00 2.75 2.81 0.00 0.00 7.03 7.17 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 0.00 109 K 7.76 4.73 0.00 1.67 1.84 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.36 7.81 110 L 9.09 5.19 0.00 1.45 1.01 0.95 1.04 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 0.00 111 E 8.62 5.17 0.00 1.91 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 2.31 2.19 0.00 112 F 8.98 5.20 0.00 2.85 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 0.00 113 E 9.03 4.62 0.00 1.77 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 2.06 1.56 0.00 114 S 9.02 4.29 0.00 4.03 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 0.00 115 A 8.49 4.01 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 0.00 116 Q 7.94 3.52 0.00 1.55 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.97 0.00 0.00 0.00 0.00 0.00 1.31 1.18 0.00 117 F 8.02 4.72 0.00 2.98 2.66 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 0.00 0.00 0.00 0.00 118 P 0.00 4.49 0.00 2.12 2.06 0.00 3.89 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 2.06 2.13 0.00 119 N 9.80 4.29 0.00 2.93 3.02 0.00 0.00 6.87 8.32 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 0.00 120 W 7.89 4.78 0.00 3.60 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 0.00 121 Y 9.31 5.42 0.00 2.81 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 0.00 122 I 8.66 4.36 1.89 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.48 0.74 0.00 0.00 123 S 9.53 5.06 0.00 2.72 3.45 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 0.00 124 T 8.52 5.10 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 1.35 0.00 0.00 125 S 8.74 4.99 0.00 4.03 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 0.00 126 Q 8.78 4.08 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.53 2.31 0.00 127 A 7.65 4.19 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 0.00 128 E 8.57 4.18 0.00 2.10 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 0.00 2.40 2.38 0.00 129 N 8.25 4.12 0.00 2.88 2.85 0.00 0.00 7.06 8.07 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 0.00 130 M 7.16 4.76 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.83 0.00 131 P 0.00 4.94 0.00 2.03 2.19 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 132 V 8.75 4.29 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 0.82 0.00 0.00 1.04 0.00 0.00 133 F 9.02 5.09 0.00 3.19 3.16 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 0.00 134 L 8.96 4.98 0.00 1.85 1.88 1.22 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 135 G 9.51 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 0.00 0.00 0.00 0.00 136 G 7.83 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 0.00 0.00 0.00 137 T 7.30 4.46 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 1.09 0.00 0.00 138 K 8.53 4.24 0.00 1.60 1.58 0.00 0.70 0.00 0.00 1.20 0.00 0.00 2.69 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.88 0.65 7.81 139 G 8.45 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 0.00 0.00 0.00 140 G 7.12 3.81 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 0.00 0.00 0.00 141 Q 8.84 4.09 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 142 D 7.81 4.78 0.00 2.75 2.84 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 0.00 143 I 8.35 4.34 1.72 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.69 0.61 0.00 0.00 144 T 8.47 4.93 4.08 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 1.10 0.00 0.00 145 D 7.68 5.41 0.00 2.71 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 0.00 146 F 9.50 5.49 0.00 3.04 3.15 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 0.00 147 T 9.05 5.07 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 1.25 0.00 0.00 148 M 8.66 5.18 0.00 1.93 1.91 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.96 0.00 149 Q 8.72 4.77 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 150 F 9.14 4.93 0.00 2.93 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 0.00 151 V 8.38 4.75 2.12 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 1.06 0.00 0.00 1.03 0.00 0.00 152 S 9.07 4.08 0.00 3.99 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 0.00 153 S 7.76 4.15 0.00 4.04 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