NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9361 8.3549 109.7400 45.4644 0.0000 172.8898 2 L 4.2779 7.6775 123.6105 51.7986 43.9418 175.6479 3 S 4.5926 10.1754 119.2088 57.5505 66.5787 174.8105 4 D 4.6824 8.6996 121.1416 57.5508 40.3324 179.1655 5 G 3.7149 8.1480 105.6985 47.9897 0.0000 175.4327 6 E 3.9586 8.0383 120.6806 58.8323 29.4393 179.2506 7 W 4.4129 8.1700 119.0348 59.8787 29.0450 178.3119 8 Q 4.0523 8.4655 119.4198 59.3236 28.6050 178.3748 9 L 4.0278 7.7728 120.1217 57.6037 41.5296 179.4727 10 V 3.6874 8.0289 118.2829 66.3915 31.3903 178.2495 11 L 4.1861 8.4108 118.5884 57.7931 41.1818 179.3517 12 N 4.4311 8.2710 116.2088 56.1289 38.7368 177.3619 13 V 3.7623 7.9378 119.6554 65.8441 31.7147 177.7630 14 W 4.2092 8.7651 128.5343 60.5171 30.0873 177.8961 15 G 3.7089 7.9992 105.8177 47.9380 0.0000 175.7961 16 K 3.9552 7.7663 119.8009 58.9680 32.2598 179.3344 17 V 2.9240 6.9362 118.1188 65.6991 31.0774 177.8259 18 E 3.8578 7.6271 116.8949 58.7656 29.3411 178.4790 19 A 4.2192 7.3120 117.8402 52.9917 20.1635 177.3490 20 D 4.5743 7.5558 113.3764 52.5275 43.7327 176.0300 21 V 3.5482 7.6113 123.2220 65.6768 32.1804 176.8501 22 A 4.0866 7.9741 120.3000 54.8902 18.2755 179.7681 23 G 3.4591 8.3452 104.3985 48.2185 0.0000 175.7701 24 H 4.1224 8.1831 118.8375 58.3899 28.6971 177.9364 25 G 3.7097 8.3196 107.8913 47.9830 0.0000 175.4832 26 Q 3.8394 7.8649 121.3580 58.9387 29.0602 178.0003 27 E 3.8993 7.8644 119.2351 59.2322 29.4170 179.5420 28 V 3.4788 7.6769 118.2206 66.0517 31.6598 178.1996 29 L 3.4290 7.6580 118.6549 57.5927 41.3864 179.5491 30 I 3.6992 7.9445 120.1945 64.1925 36.9738 178.7080 31 R 3.8247 8.0603 119.1719 59.1789 29.8714 178.8352 32 L 3.9462 7.7627 120.0496 58.2469 41.9051 179.0690 33 F 4.5715 7.8954 117.7192 60.3707 38.6041 178.0484 34 K 4.0946 8.0314 117.7437 59.3771 31.9998 179.2965 35 G 3.7660 7.9831 104.3686 46.3017 0.0000 174.0686 36 H 4.7525 8.1825 117.9499 52.5954 30.4230 172.0757 37 P 4.8636 0.0000 0.0000 64.2518 31.6898 177.1453 38 E 4.2276 8.1331 115.8610 58.5096 29.7620 178.6598 39 T 4.0938 8.3181 111.8250 64.3844 69.0824 176.3116 40 L 3.8310 7.8938 123.4691 57.8300 41.7605 178.3754 41 E 4.2146 7.7839 116.0647 58.1510 29.4842 178.1494 42 K 4.5203 8.0697 117.1460 56.0317 33.0366 177.3019 43 F 4.5578 7.8930 119.4176 55.5961 39.3708 175.6006 44 D 4.3626 8.3482 124.7501 57.1104 40.6507 178.3564 45 K 4.1426 7.7972 116.6138 58.3060 32.2073 177.2632 46 F 5.0400 7.9640 116.8264 56.9070 40.1494 176.7932 47 K 3.8765 7.8018 121.1176 60.3536 31.8165 177.6148 48 H 4.4475 7.6182 110.3656 56.2813 28.6450 174.9301 49 L 4.4755 7.3017 121.7765 54.4521 42.1160 176.7149 50 K 4.3696 9.2713 123.1312 56.8893 33.8055 176.6364 51 S 4.7425 7.4637 112.2337 55.4671 67.5437 174.2364 52 E 3.9235 8.6005 121.3622 59.5575 28.8602 178.3448 53 D 4.3549 8.0053 118.5168 57.2542 40.9960 178.3697 54 E 4.0240 8.1557 119.3068 59.3298 29.2214 179.2430 55 M 3.9360 7.7271 118.0476 58.3781 32.1494 178.7128 56 K 4.0170 8.2005 117.3984 59.0793 32.2015 178.7127 57 A 4.2809 7.4759 119.6854 52.9288 19.0295 177.9495 58 S 4.1063 7.5388 113.2946 58.5390 63.2368 174.5409 59 E 3.9942 9.0016 128.3866 59.6045 29.5817 178.3937 60 D 4.5321 8.1939 118.4667 57.1728 40.8591 178.4304 61 L 3.8606 7.9644 120.7330 57.9782 42.0685 178.8053 62 K 3.8888 7.7567 119.6313 59.5261 32.0376 178.9293 63 K 4.0334 7.9259 118.2298 59.5045 32.0160 179.6301 64 V 3.8505 8.3256 118.8626 65.7674 31.5247 178.3190 65 G 3.5792 8.5726 106.1594 47.7219 0.0000 175.1810 66 N 4.3344 8.1367 119.7008 56.6848 38.9933 177.0853 67 T 3.9108 8.1066 117.0732 66.9019 68.5860 176.5644 68 T 3.9197 8.1396 117.6839 67.0288 68.6026 176.7045 69 L 4.2674 7.9724 120.3014 57.8224 41.7483 179.7923 70 T 3.9613 8.2550 115.8042 66.6014 68.3867 176.5466 71 A 4.0059 8.0381 122.6867 54.9730 18.4261 179.3845 72 L 3.6572 7.9125 118.9165 58.2079 42.1900 179.3308 73 G 3.4453 8.2033 105.7424 47.6783 0.0000 175.6977 74 G 3.6592 7.7163 106.6737 47.6541 0.0000 175.6057 75 I 3.8708 7.4464 121.8664 64.0818 37.1449 178.5331 76 L 3.9917 7.6771 119.7966 57.7202 41.1744 179.7082 77 K 3.9527 7.7089 117.0288 58.6693 32.2207 178.9334 78 K 3.9303 7.7869 118.1255 56.2853 32.6078 176.6341 79 K 2.0000 8.2605 118.1982 56.3672 29.6712 175.6833 80 G 3.9839 7.9055 105.9214 45.5478 0.0000 173.5544 81 H 4.7347 7.2466 118.4046 55.2391 27.7648 174.5147 82 H 5.5805 7.1589 110.3745 54.6050 29.7957 176.5287 83 E 3.9377 8.5979 122.2930 60.5187 28.9823 178.6501 84 A 4.1150 7.9254 118.1724 54.8153 18.7851 178.8168 85 E 4.1542 8.1553 116.7901 58.9813 29.8501 178.7739 86 L 4.0593 8.2000 120.7554 58.0912 42.0473 178.9382 87 T 3.8992 8.0289 115.8353 66.3693 68.4614 174.6697 88 P 4.2670 0.0000 0.0000 65.4014 31.2886 178.3577 89 L 4.0234 7.4981 116.2958 58.1371 41.9607 179.0087 90 A 4.2193 8.0305 120.4339 55.4589 18.3976 179.1859 91 Q 3.9226 8.4430 117.1157 59.2889 28.7436 179.3921 92 S 4.0365 8.3324 114.6435 62.1649 62.9445 176.3901 93 H 4.1721 8.8325 120.2811 57.7799 27.9436 177.8108 94 A 3.4432 7.9342 123.2459 54.9529 17.9836 179.5869 95 T 3.6842 7.2794 106.3853 63.1096 68.1687 175.9006 96 K 4.1845 7.4969 120.3942 58.1638 33.3137 177.3547 97 H 4.0923 8.0015 113.3716 55.7735 29.6227 175.2772 98 K 3.7923 6.7270 117.5307 55.9475 29.5702 174.8271 99 I 4.2811 8.6309 119.4949 58.8989 38.9588 175.0732 100 P 4.4546 0.0000 0.0000 62.0981 32.2844 177.1953 101 V 3.2633 8.5630 119.7454 66.5301 31.1399 178.4637 102 K 3.8436 7.9244 117.2986 59.7384 31.7944 178.6595 103 Y 4.1084 8.0310 117.0616 60.9230 37.8501 178.4384 104 L 4.1556 7.8872 120.1094 57.7537 41.7056 179.3784 105 E 4.0453 7.7962 118.2625 59.2371 29.5935 179.0857 106 F 4.5139 7.7471 118.0166 60.6186 38.8990 177.5654 107 I 3.8135 8.0344 118.4186 64.0550 37.7583 178.0671 108 S 4.2139 8.1577 116.1533 61.6251 62.6595 176.5531 109 E 4.0608 8.2951 119.6239 59.2544 29.3805 179.0121 110 A 4.4248 7.9536 122.8514 54.3974 18.3477 179.5833 111 I 3.6441 7.9487 118.3265 64.6785 37.1777 178.5517 112 I 3.7366 7.9142 120.4734 64.6928 36.8585 178.5067 113 Q 4.0109 8.2688 118.7495 58.9798 28.4863 179.1649 114 V 3.5144 8.4490 119.5891 65.8951 31.4796 178.0551 115 L 3.7460 7.8797 118.8841 57.5766 41.0681 179.3103 116 Q 4.1308 7.8648 118.7305 59.4848 29.1647 178.2206 117 S 4.2359 7.9225 114.7880 61.3910 62.9103 176.3327 118 K 4.0953 7.9205 119.9426 57.6814 33.2966 177.0270 119 H 5.0768 8.1918 115.7861 53.9580 29.3807 173.1404 120 P 4.3576 0.0000 0.0000 65.9520 31.6181 178.4864 121 G 3.7171 8.1864 106.6639 47.7696 0.0000 173.6148 122 D 4.7325 8.0242 116.6692 54.2206 41.9274 176.3307 123 F 4.9908 7.7823 121.4152 56.6426 38.9138 174.6139 124 G 3.8539 7.4505 110.4623 43.5117 0.0000 170.9129 125 A 3.8874 8.4649 120.7554 55.4582 18.0596 179.5963 126 D 4.1587 7.9518 116.2118 57.5893 40.9483 178.8156 127 A 3.9500 7.7814 120.6257 55.0495 18.3941 179.3989 128 Q 3.2955 7.8628 117.0578 58.9111 28.7646 179.5275 129 G 3.4842 7.8788 106.3464 47.5909 0.0000 175.6222 130 A 3.8464 8.1839 123.6659 55.0516 18.3348 179.3463 131 M 3.9980 8.2657 116.9502 58.9295 32.3869 178.4295 132 S 4.1293 8.2720 113.3039 61.3103 62.5663 176.2571 133 K 3.9361 8.0854 121.0871 59.2257 31.7191 179.2421 134 A 3.8111 7.8203 121.1795 55.1117 18.2549 179.7449 135 L 4.0840 8.2985 117.9155 57.7424 41.5558 179.3910 136 E 3.9424 8.1909 119.4199 59.0086 29.5309 178.4928 137 L 3.9290 8.0594 120.4568 58.1205 42.1667 178.5701 138 F 4.1027 8.2991 120.4044 61.5866 39.3204 177.2701 139 R 3.4504 8.3416 117.8458 59.1462 29.8843 178.8840 140 N 4.2456 8.2798 116.3946 56.4453 38.5703 177.2779 141 D 4.3449 8.3786 120.6788 57.3577 40.7897 178.7091 142 M 3.7813 7.6390 118.9707 58.3560 31.9686 178.4042 143 A 3.6304 7.9758 120.8983 55.2367 18.4735 179.6104 144 A 3.9369 7.8565 118.8205 55.2922 18.4357 180.0589 145 K 4.0309 8.2110 117.0517 59.6200 32.0068 179.1244 146 Y 4.2335 8.4103 117.2264 61.3142 37.7701 178.9008 147 K 4.1461 8.1582 119.1871 59.5535 31.9062 179.0823 148 E 3.9760 7.9946 118.5128 59.1554 29.7549 178.3048 149 L 4.2952 7.9309 116.2372 55.3514 41.6616 177.6912 150 G 3.6694 7.6865 107.1401 45.6834 0.0000 173.8455 151 F 4.5202 8.1887 123.8981 57.2588 39.2053 175.5449 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 G 8.35 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 2 L 7.68 4.28 0.00 0.74 0.81 0.51 -0.48 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 3 S 10.18 4.59 0.00 4.00 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 4 D 8.70 4.68 0.00 2.77 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 5 G 8.15 3.71 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 0.00 0.00 0.00 6 E 8.04 3.96 0.00 2.08 1.73 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 2.22 2.27 0.00 7 W 8.17 4.41 0.00 3.56 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 8 Q 8.47 4.05 0.00 2.41 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 9 L 7.77 4.03 0.00 1.87 1.74 0.89 0.84 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 10 V 8.03 3.69 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 1.29 0.00 0.00 0.87 0.00 0.00 11 L 8.41 4.19 0.00 1.84 1.81 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.27 4.43 0.00 2.76 2.93 0.00 0.00 6.97 7.51 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 13 V 7.94 3.76 2.43 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 1.08 0.00 0.00 1.26 0.00 0.00 14 W 8.77 4.21 0.00 3.63 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 15 G 8.00 3.71 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 0.00 0.00 0.00 16 K 7.77 3.96 0.00 1.63 1.48 0.00 1.51 0.00 0.00 1.57 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.24 7.81 17 V 6.94 2.92 0.67 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 0.09 0.00 0.00 0.00 0.00 0.00 18 E 7.63 3.86 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.28 0.00 19 A 7.31 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.56 4.57 0.00 2.70 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 21 V 7.61 3.55 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 1.15 0.00 0.00 0.93 0.00 0.00 22 A 7.97 4.09 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 23 G 8.35 3.46 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 24 H 8.18 4.12 0.00 3.10 3.24 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.32 3.71 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 0.00 0.00 0.00 26 Q 7.86 3.84 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 27 E 7.86 3.90 0.00 2.07 1.89 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 2.27 2.43 0.00 28 V 7.68 3.48 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 0.99 0.00 0.00 0.96 0.00 0.00 29 L 7.66 3.43 0.00 1.44 1.00 0.83 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.94 3.70 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.52 0.86 0.00 0.00 31 R 8.06 3.82 0.00 1.91 1.92 0.00 3.24 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 32 L 7.76 3.95 0.00 1.62 1.39 1.03 0.84 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 33 F 7.90 4.57 0.00 3.04 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 34 K 8.03 4.09 0.00 1.93 1.83 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.47 7.81 35 G 7.98 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 36 H 8.18 4.75 0.00 2.84 2.74 0.00 5.63 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 37 P 0.00 4.86 0.00 2.15 2.09 0.00 3.80 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 38 E 8.13 4.23 0.00 2.29 2.28 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 2.39 2.56 0.00 39 T 8.32 4.09 4.35 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 0.78 0.00 0.00 40 L 7.89 3.83 0.00 1.31 1.80 0.31 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.78 4.21 0.00 2.16 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 0.00 2.58 2.55 0.00 42 K 8.07 4.52 0.00 1.27 1.70 0.00 1.85 0.00 0.00 2.06 0.00 0.00 3.16 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.90 1.77 7.81 43 F 7.89 4.56 0.00 3.25 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 44 D 8.35 4.36 0.00 2.65 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 45 K 7.80 4.14 0.00 0.79 1.38 0.00 1.41 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.26 7.81 46 F 7.96 5.04 0.00 2.84 2.67 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 47 K 7.80 3.88 0.00 1.83 1.93 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.69 1.64 7.81 48 H 7.62 4.45 0.00 3.33 3.47 0.00 5.52 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.30 4.48 0.00 1.50 1.59 0.78 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.27 4.37 0.00 1.77 1.83 0.00 1.65 0.00 0.00 1.89 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.68 1.49 7.81 51 S 7.46 4.74 0.00 3.96 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 52 E 8.60 3.92 0.00 2.03 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 2.35 2.37 0.00 53 D 8.01 4.35 0.00 2.71 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 54 E 8.16 4.02 0.00 2.15 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 0.00 2.32 2.33 0.00 55 M 7.73 3.94 0.00 1.94 2.23 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 2.67 2.46 0.00 56 K 8.20 4.02 0.00 1.80 1.84 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.18 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.62 7.81 57 A 7.48 4.28 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 58 S 7.54 4.11 0.00 3.97 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 59 E 9.00 3.99 0.00 2.10 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 2.41 2.42 0.00 60 D 8.19 4.53 0.00 3.04 2.94 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 61 L 7.96 3.86 0.00 1.14 1.44 0.50 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.76 3.89 0.00 1.94 1.92 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.47 7.81 63 K 7.93 4.03 0.00 2.07 1.90 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.68 7.81 64 V 8.33 3.85 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 1.38 0.00 0.00 1.20 0.00 0.00 65 G 8.57 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 66 N 8.14 4.33 0.00 2.98 2.99 0.00 0.00 7.27 6.95 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 67 T 8.11 3.91 4.50 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 1.28 0.00 0.00 68 T 8.14 3.92 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 69 L 7.97 4.27 0.00 1.81 1.91 0.94 0.85 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 70 T 8.25 3.96 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 1.26 0.00 0.00 71 A 8.04 4.01 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 72 L 7.91 3.66 0.00 1.61 1.74 0.17 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.20 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 0.00 0.00 0.00 74 G 7.72 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 0.00 0.00 0.00 75 I 7.45 3.87 1.89 0.00 0.00 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 1.54 1.18 0.90 0.00 0.00 76 L 7.68 3.99 0.00 1.39 1.54 -0.16 0.72 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 77 K 7.71 3.95 0.00 1.71 1.81 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.16 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.56 7.81 78 K 7.79 3.93 0.00 1.76 1.73 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.67 1.77 7.81 79 K 8.26 2.00 0.00 1.19 0.74 0.00 1.40 0.00 0.00 1.31 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.45 0.97 7.81 80 G 7.91 3.98 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 0.00 0.00 0.00 81 H 7.25 4.73 0.00 3.04 3.19 0.00 5.81 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.16 5.58 0.00 3.32 3.47 0.00 5.67 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.60 3.94 0.00 2.12 2.03 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 2.41 2.50 0.00 84 A 7.93 4.11 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 85 E 8.16 4.15 0.00 2.11 2.03 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 2.39 2.43 0.00 86 L 8.20 4.06 0.00 2.03 1.82 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 87 T 8.03 3.90 4.27 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 1.24 0.00 0.00 88 P 0.00 4.27 0.00 2.20 2.13 0.00 3.64 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 2.15 2.17 0.00 89 L 7.50 4.02 0.00 1.90 1.85 0.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.03 4.22 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.44 3.92 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 92 S 8.33 4.04 0.00 4.03 4.27 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 93 H 8.83 4.17 0.00 3.48 3.54 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.93 3.44 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.28 3.68 4.20 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 1.18 0.00 0.00 96 K 7.50 4.18 0.00 1.68 1.65 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.27 1.39 7.81 97 H 8.00 4.09 0.00 3.01 3.11 0.00 5.86 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 6.73 3.79 0.00 1.89 1.69 0.00 1.50 0.00 0.00 1.38 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.42 7.81 99 I 8.63 4.28 2.03 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 1.37 0.90 1.09 0.00 0.00 100 P 0.00 4.45 0.00 1.91 1.94 0.00 3.24 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 1.18 0.00 101 V 8.56 3.26 1.94 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 0.86 0.00 0.00 0.47 0.00 0.00 102 K 7.92 3.84 0.00 1.70 1.38 0.00 1.68 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.42 7.81 103 Y 8.03 4.11 0.00 3.15 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 0.00 104 L 7.89 4.16 0.00 1.76 1.71 0.56 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.80 4.05 0.00 1.89 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 0.00 2.34 2.27 0.00 106 F 7.75 4.51 0.00 3.12 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 0.00 107 I 8.03 3.81 2.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.37 1.07 0.00 0.00 108 S 8.16 4.21 0.00 4.19 3.98 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 0.00 109 E 8.30 4.06 0.00 2.29 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.42 0.00 110 A 7.95 4.42 1.44 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 0.00 111 I 7.95 3.64 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.67 1.04 0.00 0.00 112 I 7.91 3.74 2.07 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.11 1.17 0.00 0.00 113 Q 8.27 4.01 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 114 V 8.45 3.51 2.02 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 0.94 0.00 0.00 0.94 0.00 0.00 115 L 7.88 3.75 0.00 1.11 0.36 0.74 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 7.86 4.13 0.00 2.28 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.96 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 117 S 7.92 4.24 0.00 3.81 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 0.00 118 K 7.92 4.10 0.00 1.53 1.40 0.00 1.42 0.00 0.00 1.43 0.00 0.00 2.41 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.27 1.30 7.81 119 H 8.19 5.08 0.00 3.21 3.21 0.00 5.63 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.36 0.00 2.21 2.23 0.00 3.85 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 121 G 8.19 3.72 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 0.00 122 D 8.02 4.73 0.00 2.75 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 0.00 123 F 7.78 4.99 0.00 2.99 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 0.00 124 G 7.45 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 0.00 125 A 8.46 3.89 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 0.00 126 D 7.95 4.16 0.00 2.65 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 0.00 127 A 7.78 3.95 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 0.00 128 Q 7.86 3.30 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 1.72 1.37 0.00 129 G 7.88 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.18 3.85 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 0.00 131 M 8.27 4.00 0.00 2.40 2.42 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.84 0.00 132 S 8.27 4.13 0.00 3.97 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 0.00 133 K 8.09 3.94 0.00 1.87 1.66 0.00 1.62 0.00 0.00 1.50 0.00 0.00 2.88 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.37 1.38 7.81 134 A 7.82 3.81 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.30 4.08 0.00 1.74 1.82 0.99 0.79 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 0.00 136 E 8.19 3.94 0.00 2.18 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 0.00 2.42 2.30 0.00 137 L 8.06 3.93 0.00 1.83 1.92 1.04 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.30 4.10 0.00 3.16 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.34 3.45 0.00 1.76 1.79 0.00 3.12 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.94 0.00 140 N 8.28 4.25 0.00 2.83 2.82 0.00 0.00 7.05 8.72 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 0.00 141 D 8.38 4.34 0.00 2.61 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 0.00 142 M 7.64 3.78 0.00 1.47 1.61 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.93 0.00 143 A 7.98 3.63 1.22 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 0.00 144 A 7.86 3.94 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 0.00 145 K 8.21 4.03 0.00 2.03 1.98 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.59 1.66 7.81 146 Y 8.41 4.23 0.00 3.17 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.16 4.15 0.00 2.02 1.89 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.51 1.70 7.81 148 E 7.99 3.98 0.00 2.12 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 149 L 7.93 4.30 0.00 2.10 1.93 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.69 3.67 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 0.00 0.00 0.00 151 F 8.19 4.52 0.00 2.98 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