NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1505 8.1727 122.0490 56.3088 34.0350 173.9734 2 V 4.5223 8.2355 127.7399 60.6803 32.0554 174.5374 3 F 4.4065 9.8758 128.6845 57.7262 40.2160 174.7585 4 E 4.3622 9.0645 120.7852 55.6483 31.0111 177.2633 5 R 3.3509 8.9209 122.7351 60.3572 30.0606 179.7172 6 C 4.3590 8.0523 115.1997 59.4718 38.0169 175.6283 7 E 3.9029 8.0665 120.9057 59.2572 29.2771 178.4921 8 L 3.5591 7.9819 120.1410 57.6981 42.0339 178.6130 9 A 3.9176 7.7678 120.7741 55.3329 18.3665 179.8512 10 R 3.8701 8.0090 116.4261 59.6377 30.0242 179.4522 11 T 3.8579 7.8447 115.5055 66.7393 68.4776 176.7827 12 L 3.8918 8.1591 121.2494 57.3525 41.5393 179.5056 13 K 3.9049 8.0435 119.8182 59.5379 31.9666 178.9435 14 R 3.9534 7.8675 117.6889 58.8422 30.0137 177.4302 15 L 4.4090 7.3319 116.2663 54.1636 41.7673 177.0518 16 G 3.8530 7.7687 106.9922 46.4648 0.0000 174.9338 17 M 3.8565 7.9479 120.9992 56.3421 32.3315 175.7650 18 D 4.5822 8.0043 118.2486 55.6362 41.1844 175.8035 19 G 3.9348 9.4012 115.7215 45.4765 0.0000 171.4433 20 Y 4.2014 8.0916 121.9559 58.3896 38.8451 175.8369 21 R 3.6372 9.0559 126.9924 57.2713 28.5611 176.6342 22 G 3.8251 8.0932 102.0064 45.0208 0.0000 174.0524 23 I 3.9882 7.6694 122.2104 59.4540 37.8496 175.8897 24 S 4.5804 8.2788 121.0269 57.9324 64.9803 174.7226 25 L 4.1897 8.7925 124.9184 58.6272 41.8351 179.4497 26 A 4.1455 8.0991 120.1161 55.2312 18.3921 179.2525 27 N 4.4268 7.9630 115.1953 56.2928 38.6130 177.7322 28 W 4.1860 8.0207 120.3214 59.9277 29.0461 178.5783 29 M 4.1459 8.4374 118.9274 58.3842 31.4018 177.8481 30 C 3.0736 8.0154 118.8732 59.2942 44.2270 175.7219 31 L 4.0307 7.9761 121.0555 58.7315 40.0145 179.0910 32 A 4.0684 8.1205 121.7648 54.6236 18.2059 179.3151 33 K 2.7027 7.9606 118.1733 59.3914 31.9769 179.1677 34 W 4.3411 7.4290 117.6057 59.4493 29.0556 178.3307 35 E 4.3794 8.4360 118.7268 58.7006 29.2362 177.7871 36 S 4.5340 8.0990 109.4300 56.5170 64.8646 174.2927 37 G 3.3123 8.3093 109.1173 47.0236 0.0000 173.3720 38 Y 3.6806 7.5792 112.9970 58.5615 35.5657 168.8031 39 N 5.3769 7.7044 119.2245 52.0133 40.2878 175.4861 40 T 4.0791 8.9358 117.0103 64.0229 69.8148 175.8542 41 R 4.6262 8.4143 119.5122 55.8676 31.0448 176.6332 42 A 4.2805 7.8532 123.8501 52.4845 19.2728 177.0506 43 T 5.0747 8.4041 111.9208 60.0819 72.4221 173.2870 44 N 4.9562 8.9576 120.8838 51.9498 42.4383 172.6714 45 Y 4.8394 8.7265 125.3617 56.6254 41.0640 173.6928 46 N 4.5265 8.5987 125.9029 51.6118 39.1376 174.9192 47 A 3.6827 8.3681 130.1515 54.8616 18.2897 178.4575 48 G 3.6131 7.2897 103.9018 48.3810 0.0000 173.6476 49 D 4.5269 7.9250 119.1632 51.6846 40.4939 176.3351 50 R 3.8404 8.0335 117.3688 57.1247 28.0058 175.5001 51 S 4.9925 7.6603 110.6254 56.8981 67.3460 173.5490 52 T 5.1328 9.0024 116.6872 61.9788 72.1135 172.7195 53 D 5.4064 9.0947 125.2331 53.1740 43.2282 175.0762 54 Y 4.7550 8.9711 120.6978 57.3838 41.6101 177.6127 55 G 4.4503 9.1614 112.0549 45.7099 0.0000 173.6204 56 I 4.0349 8.3580 116.9227 62.8995 37.9357 177.4526 57 F 4.8616 8.0997 115.6285 56.4887 40.1494 175.0818 58 Q 3.6498 7.9459 119.2436 57.1099 26.4321 173.9741 59 I 4.2728 8.1479 119.1778 60.8749 39.3120 177.0630 60 N 5.4945 9.3976 126.0888 53.1175 39.7649 175.5896 61 S 4.6830 9.1667 120.2042 59.9179 63.4307 175.2888 62 R 3.8020 8.6221 122.2376 58.6613 30.4507 177.6012 63 Y 4.0635 7.6253 115.0874 57.9440 39.8853 176.8799 64 W 4.9200 8.0746 118.4018 57.6640 31.0963 173.9503 65 C 5.6661 8.2355 112.2502 53.5225 45.3126 172.0793 66 N 5.3185 9.1272 119.1461 52.0192 40.0717 174.6660 67 D 4.7620 8.8880 124.1346 52.3239 40.4848 177.4754 68 G 4.0556 8.3878 108.3498 45.9020 0.0000 174.6834 69 K 4.4305 7.9284 116.3416 56.6776 32.9449 175.7702 70 T 4.4844 7.6717 116.7727 61.4035 69.5345 172.8059 71 P 4.2162 0.0000 0.0000 63.6419 31.7862 176.3549 72 G 3.7967 8.7968 110.4414 46.3580 0.0000 173.6684 73 A 4.1104 7.9096 121.2216 51.7905 19.0725 178.3222 74 V 3.9297 8.4203 120.0280 62.1676 33.9319 175.5415 75 N 4.1216 7.9841 116.2512 54.5456 36.6615 174.8590 76 A 3.9897 8.3697 121.9690 55.1881 19.0785 178.4472 77 C 4.5145 8.6000 111.6524 57.3097 41.0313 173.0372 78 H 4.1380 7.8095 116.3278 56.9639 26.4601 174.2858 79 L 4.8697 8.2350 117.2519 52.8106 46.1195 176.4894 80 S 4.7595 8.3309 115.4770 57.6999 63.4064 175.9558 81 C 4.0309 8.7491 125.4654 59.8581 40.0536 176.6713 82 S 3.9455 7.6430 114.8158 61.2242 62.2670 176.3439 83 A 4.0235 7.9416 123.4116 54.2870 18.2032 177.8881 84 L 4.4825 7.6934 116.5697 54.9743 41.7143 177.6354 85 L 5.0642 7.8827 117.3373 54.5064 42.4592 176.7583 86 Q 4.3453 7.8252 117.8605 55.5033 29.4550 175.9599 87 D 4.4367 8.4998 119.3955 56.9240 41.1920 176.8859 88 N 4.6363 8.0505 118.0272 53.1404 39.6630 174.6948 89 I 4.3601 8.4091 118.3322 60.9237 38.1141 177.1847 90 A 3.9496 8.7060 125.1593 56.0401 18.1741 180.2266 91 D 4.3053 8.1249 116.5265 57.3624 40.8630 178.7139 92 A 4.0855 8.0068 120.8575 55.1965 18.4165 179.7420 93 V 3.2562 8.0122 116.5075 65.9477 31.6574 178.0616 94 A 3.8009 7.9463 120.5388 55.2894 18.1986 178.8563 95 C 4.1680 8.3814 116.8091 59.7109 39.5020 175.5491 96 A 3.8619 8.2018 122.7960 55.1320 17.5585 179.8112 97 K 3.7784 7.6764 116.3914 59.3634 32.2752 179.2710 98 R 4.0283 7.6490 118.7160 59.1214 29.9864 178.6093 99 V 2.1981 7.3724 118.0307 65.7640 30.9125 178.4092 100 V 3.8429 7.6033 111.2520 63.5305 31.1690 177.8569 101 R 4.2853 7.6720 116.6246 56.4488 30.6051 176.2611 102 D 4.7784 7.7459 119.6849 52.6319 42.0698 175.5307 103 P 4.2075 0.0000 0.0000 66.1283 31.2917 178.2130 104 Q 4.1093 8.1946 114.5647 56.5634 30.1050 177.1732 105 G 3.7831 7.9704 108.6040 47.4477 0.0000 176.1058 106 I 4.1126 8.0106 121.5541 62.9151 38.0065 177.3755 107 R 4.4136 7.5808 117.6896 57.9547 29.9122 177.4544 108 A 3.9466 7.8970 121.4344 53.8169 18.8212 177.5827 109 W 4.7226 8.2617 116.9049 55.3626 29.6984 177.0258 110 V 3.7054 8.9312 123.9636 66.3686 30.7525 177.6795 111 A 4.1221 8.7351 120.1926 54.8557 18.1311 179.4664 112 W 4.0180 8.4414 126.6039 60.6710 30.5770 178.4371 113 R 3.8494 8.2512 116.5645 59.2832 29.6449 178.0941 114 N 4.4993 7.9964 114.7852 54.7592 38.9468 176.7449 115 R 4.2763 8.0106 116.5878 55.7398 32.0981 175.7207 116 C 4.5213 7.5026 114.3662 57.8070 42.0832 174.4615 117 Q 2.8389 6.7872 119.6951 57.2960 28.9205 175.7219 118 N 4.1485 8.4778 120.1464 54.0512 36.3842 173.8825 119 R 4.5416 7.3649 114.1293 54.3380 33.7046 173.3569 120 D 4.5742 8.6393 122.4038 54.2044 41.4977 176.2133 121 V 4.7193 8.3523 118.5788 61.2786 32.6844 177.7602 122 R 4.0733 8.0936 121.7666 59.2622 29.9740 178.9184 123 Q 4.0690 7.9747 114.4965 58.6724 28.5575 177.1755 124 Y 4.2856 7.8096 116.0404 59.9330 38.3958 176.5660 125 V 4.3715 7.8268 110.9765 60.7598 33.5927 175.4875 126 Q 4.1701 8.0225 119.7829 57.6813 28.6166 176.5790 127 G 3.9987 9.1118 111.5439 45.4823 0.0000 174.2835 128 C 4.4153 7.9091 115.9155 56.8543 40.7347 173.6711 129 G 3.7755 8.1237 107.0333 46.9929 0.0000 174.0435 130 V 4.0207 7.7589 117.4977 61.1693 32.4402 175.9574 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 8.17 4.15 0.00 1.82 1.62 0.00 1.24 0.00 0.00 0.77 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.94 1.14 7.81 2 V 8.24 4.52 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 0.91 0.00 0.00 0.96 0.00 0.00 3 F 9.88 4.41 0.00 2.84 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 9.06 4.36 0.00 1.92 1.85 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 2.28 2.39 0.00 5 R 8.92 3.35 0.00 1.92 1.94 0.00 3.43 0.00 0.00 3.45 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 6 C 8.05 4.36 0.00 2.99 3.11 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 0.00 0.00 0.00 0.00 7 E 8.07 3.90 0.00 2.06 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 0.00 2.55 2.41 0.00 8 L 7.98 3.56 0.00 1.30 1.36 -0.04 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.77 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 10 R 8.01 3.87 0.00 2.02 1.98 0.00 3.13 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 11 T 7.84 3.86 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 1.18 0.00 0.00 12 L 8.16 3.89 0.00 1.57 1.55 0.90 0.53 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 13 K 8.04 3.90 0.00 1.97 1.90 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.45 7.81 14 R 7.87 3.95 0.00 2.02 2.06 0.00 3.29 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 15 L 7.33 4.41 0.00 1.61 1.54 0.85 1.36 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 16 G 7.77 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 0.00 0.00 0.00 17 M 7.95 3.86 0.00 1.28 1.93 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.17 0.00 18 D 8.00 4.58 0.00 2.66 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 19 G 9.40 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 0.00 0.00 0.00 20 Y 8.09 4.20 0.00 3.26 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 21 R 9.06 3.64 0.00 1.53 1.86 0.00 3.28 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.43 0.00 22 G 8.09 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 0.00 0.00 0.00 23 I 7.67 3.99 1.81 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.62 -0.48 0.00 0.00 24 S 8.28 4.58 0.00 4.09 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 25 L 8.79 4.19 0.00 2.12 1.80 0.96 1.13 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 26 A 8.10 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 27 N 7.96 4.43 0.00 2.67 2.60 0.00 0.00 6.97 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 W 8.02 4.19 0.00 3.55 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 29 M 8.44 4.15 0.00 2.14 2.33 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.91 0.00 30 C 8.02 3.07 0.00 2.63 3.20 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 31 L 7.98 4.03 0.00 2.07 2.05 0.48 -0.10 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 32 A 8.12 4.07 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 33 K 7.96 2.70 0.00 1.47 1.43 0.00 0.61 0.00 0.00 0.87 0.00 0.00 2.57 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.81 0.21 7.81 34 W 7.43 4.34 0.00 3.38 3.28 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 35 E 8.44 4.38 0.00 2.14 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 2.65 2.72 0.00 36 S 8.10 4.53 0.00 4.05 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 37 G 8.31 3.31 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 0.00 38 Y 7.58 3.68 0.00 3.21 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 7.70 5.38 0.00 2.78 2.81 0.00 0.00 7.01 7.11 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 40 T 8.94 4.08 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 1.48 0.00 0.00 41 R 8.41 4.63 0.00 1.75 2.03 0.00 3.38 0.00 0.00 3.40 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 42 A 7.85 4.28 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 43 T 8.40 5.07 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 1.27 0.00 0.00 44 N 8.96 4.96 0.00 2.83 2.72 0.00 0.00 6.48 7.00 0.00 0.00 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 Y 8.73 4.84 0.00 3.02 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 46 N 8.60 4.53 0.00 2.61 2.69 0.00 0.00 6.82 7.88 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 47 A 8.37 3.68 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 48 G 7.29 3.61 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 0.00 0.00 0.00 49 D 7.92 4.53 0.00 2.74 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 50 R 8.03 3.84 0.00 2.02 2.18 0.00 3.13 0.00 0.00 3.18 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.52 0.00 51 S 7.66 4.99 0.00 3.79 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 52 T 9.00 5.13 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 0.68 0.00 0.00 53 D 9.09 5.41 0.00 2.67 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 54 Y 8.97 4.76 0.00 3.03 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 55 G 9.16 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.36 4.03 1.75 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.81 0.30 0.00 0.00 57 F 8.10 4.86 0.00 3.30 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 7.95 3.65 0.00 2.57 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.83 0.00 0.00 0.00 0.00 0.00 2.57 2.82 0.00 59 I 8.15 4.27 2.10 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.94 1.09 0.00 0.00 60 N 9.40 5.49 0.00 3.08 3.01 0.00 0.00 7.45 7.15 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 61 S 9.17 4.68 0.00 4.05 4.38 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 62 R 8.62 3.80 0.00 1.64 1.60 0.00 2.72 0.00 0.00 2.81 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.00 0.00 63 Y 7.63 4.06 0.00 1.80 1.67 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 0.00 0.00 0.00 0.00 64 W 8.07 4.92 0.00 3.50 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 65 C 8.24 5.67 0.00 3.11 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 66 N 9.13 5.32 0.00 2.81 2.69 0.00 0.00 7.13 8.17 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 67 D 8.89 4.76 0.00 2.83 2.64 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 68 G 8.39 4.06 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 0.00 0.00 0.00 69 K 7.93 4.43 0.00 1.86 1.91 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.44 7.81 70 T 7.67 4.48 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 71 P 0.00 4.22 0.00 2.01 1.98 0.00 3.80 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 72 G 8.80 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 0.00 0.00 0.00 73 A 7.91 4.11 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 74 V 8.42 3.93 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 0.71 0.00 0.00 0.85 0.00 0.00 75 N 7.98 4.12 0.00 2.97 2.78 0.00 0.00 7.11 8.46 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 76 A 8.37 3.99 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 77 C 8.60 4.51 0.00 3.31 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 78 H 7.81 4.14 0.00 3.33 3.36 0.00 5.62 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.23 4.87 0.00 1.69 1.51 0.99 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.33 4.76 0.00 3.83 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 81 C 8.75 4.03 0.00 2.29 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 82 S 7.64 3.95 0.00 4.07 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 83 A 7.94 4.02 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 84 L 7.69 4.48 0.00 1.95 1.82 1.02 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.88 5.06 0.00 1.79 1.73 1.14 1.40 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 86 Q 7.83 4.35 0.00 2.26 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 7.11 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 87 D 8.50 4.44 0.00 2.64 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 88 N 8.05 4.64 0.00 2.70 2.74 0.00 0.00 6.91 7.94 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 89 I 8.41 4.36 1.85 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.67 1.08 0.00 0.00 90 A 8.71 3.95 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 91 D 8.12 4.31 0.00 2.72 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 92 A 8.01 4.09 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 3.26 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 0.76 0.00 0.00 0.92 0.00 0.00 94 A 7.95 3.80 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 95 C 8.38 4.17 0.00 3.09 3.23 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 96 A 8.20 3.86 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.68 3.78 0.00 1.60 1.48 0.00 1.25 0.00 0.00 0.67 0.00 0.00 2.22 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.30 0.90 7.81 98 R 7.65 4.03 0.00 1.93 2.05 0.00 3.24 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 99 V 7.37 2.20 1.72 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 -0.13 0.00 0.00 -0.56 0.00 0.00 100 V 7.60 3.84 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 1.36 0.00 0.00 1.38 0.00 0.00 101 R 7.67 4.29 0.00 2.04 2.03 0.00 3.22 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.09 0.00 102 D 7.75 4.78 0.00 3.18 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.21 0.00 2.03 2.15 0.00 3.70 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 104 Q 8.19 4.11 0.00 2.24 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.92 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 105 G 7.97 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 0.00 0.00 0.00 106 I 8.01 4.11 1.28 0.00 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.78 -0.27 0.00 0.00 107 R 7.58 4.41 0.00 2.01 2.07 0.00 3.53 0.00 0.00 3.30 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.86 0.00 108 A 7.90 3.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.26 4.72 0.00 3.75 3.17 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 0.00 110 V 8.93 3.71 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 1.11 0.00 0.00 1.01 0.00 0.00 111 A 8.74 4.12 1.59 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 0.00 0.00 0.00 0.00 0.00 0.00 112 W 8.44 4.02 0.00 3.46 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 0.00 113 R 8.25 3.85 0.00 2.01 2.02 0.00 3.60 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.15 0.00 114 N 8.00 4.50 0.00 2.64 2.77 0.00 0.00 6.86 7.70 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 0.00 115 R 8.01 4.28 0.00 1.44 1.27 0.00 2.47 0.00 0.00 2.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.19 0.00 116 C 7.50 4.52 0.00 1.98 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 0.00 117 Q 6.79 2.84 0.00 0.93 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.68 0.00 0.00 0.00 0.00 0.00 2.12 1.96 0.00 118 N 8.48 4.15 0.00 2.72 2.77 0.00 0.00 6.67 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 0.00 119 R 7.36 4.54 0.00 1.68 1.84 0.00 3.43 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 120 D 8.64 4.57 0.00 2.67 2.59 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 0.00 0.00 0.00 0.00 121 V 8.35 4.72 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.08 0.00 0.00 122 R 8.09 4.07 0.00 1.93 2.02 0.00 3.16 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 123 Q 7.97 4.07 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.13 0.00 0.00 0.00 0.00 0.00 1.86 1.55 0.00 124 Y 7.81 4.29 0.00 3.25 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 0.00 125 V 7.83 4.37 2.13 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 1.03 0.00 0.00 1.05 0.00 0.00 126 Q 8.02 4.17 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.54 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 127 G 9.11 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 0.00 128 C 7.91 4.42 0.00 3.11 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 0.00 129 G 8.12 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 0.00 0.00 0.00 130 V 7.76 4.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.95 0.00 0.00