NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4625 8.3044 118.1950 55.2003 32.5784 174.2060 1 V 4.2622 7.8419 118.0050 60.7643 34.3978 173.2466 2 L 4.3236 8.3163 127.3047 53.9890 43.5764 176.8250 3 S 4.5486 8.7672 117.2939 57.6427 65.4116 175.0932 4 E 4.2770 8.8313 122.4731 59.4445 29.4577 179.0002 5 G 3.6698 8.1064 105.3329 47.8428 0.0000 175.3731 6 E 3.9069 8.1297 121.0516 58.9502 29.4080 179.4626 7 W 4.3469 8.1584 119.0031 60.0069 29.0709 178.6312 8 Q 4.1555 8.7770 118.4493 58.9443 27.9845 178.8159 9 L 4.0725 7.9842 119.8452 57.5492 41.6134 179.6846 10 V 3.7646 7.9673 118.3468 66.1973 31.5827 178.1630 11 L 4.3158 8.4365 118.4985 57.7186 41.2342 179.1540 12 H 4.2273 8.4206 116.3519 58.6133 28.9274 177.7581 13 V 3.8252 7.8745 121.3499 64.4256 31.3623 178.3179 14 W 3.8726 8.5727 128.8208 60.0389 30.2553 177.7923 15 A 3.9961 7.9777 120.1909 54.8015 18.0310 179.3901 16 K 3.9756 7.8183 117.3171 59.1879 32.1900 179.3820 17 V 2.7031 7.2510 118.0428 65.9124 30.9673 177.4659 18 E 3.9986 7.7178 115.3288 57.9297 29.2918 178.5449 19 A 4.1787 7.5686 121.0969 54.3664 19.6936 177.7320 20 D 4.7014 7.8694 115.4773 52.2702 43.1699 175.8219 21 V 3.6224 7.8072 123.7554 64.3291 31.7663 178.2555 22 A 4.0478 8.0103 121.0030 55.0416 18.3414 179.6941 23 G 3.7032 8.2660 105.4812 45.4999 0.0000 175.6827 24 H 4.1499 8.2381 118.4498 58.4467 28.6836 178.1003 25 G 3.5055 8.3081 107.8442 47.7793 0.0000 175.6871 26 Q 4.0518 8.0697 120.4048 58.9237 28.7436 178.7732 27 D 4.3793 7.9451 119.7032 57.3284 40.7470 178.8586 28 I 3.5841 7.7322 120.2801 64.6257 37.0354 178.1233 29 Y 3.7033 7.7499 117.3971 60.9378 37.5343 178.6483 30 I 3.7230 7.9094 120.9024 64.3693 37.1489 178.5187 31 R 3.7934 8.0535 119.5694 59.1164 29.8257 178.2813 32 L 3.9076 7.9476 120.3475 58.3915 41.8009 179.1108 33 F 4.5650 8.2142 118.0740 60.2709 38.5438 177.7812 34 K 3.9844 8.1814 119.0375 59.6714 32.1338 178.8860 35 S 4.2424 8.0131 114.3562 60.4615 64.3285 174.5231 36 H 4.7253 8.2726 118.3010 52.0703 29.2389 172.0031 37 P 4.5469 0.0000 0.0000 64.4906 31.3910 177.6816 38 E 4.3837 8.4693 117.7498 58.9543 29.4850 179.1060 39 T 3.8170 8.0413 110.9589 64.5466 68.7379 176.2602 40 L 3.7065 7.9872 122.7032 57.7548 41.5879 178.6350 41 E 4.1363 8.1412 118.2859 58.8149 29.1017 178.9883 42 K 4.4584 8.1385 117.5513 57.2549 32.5984 176.8829 43 F 4.5222 8.2551 118.8965 55.8792 38.3547 176.1090 44 D 4.4078 8.6268 126.9280 57.2845 40.8500 178.7514 45 R 3.8532 7.7128 116.6023 57.8426 30.3489 176.9459 46 F 4.9270 7.5193 114.1126 56.7225 40.5580 176.7904 47 K 4.0249 8.1666 120.3103 59.0232 32.3632 177.6801 48 H 4.4453 8.1101 114.2130 56.9926 29.1527 175.6870 49 L 3.9356 7.5650 121.5400 55.0194 41.7118 176.9668 50 K 4.3200 9.1048 123.1551 57.4096 33.4265 176.9733 51 T 4.7485 7.2980 107.5685 58.8404 73.3061 174.2430 52 E 3.9255 8.6581 120.9952 59.2779 29.7239 178.5434 53 A 4.0148 7.9663 120.4486 55.3001 18.2639 179.3401 54 E 3.9670 7.9405 115.9378 59.6444 29.6506 179.1919 55 M 4.1513 8.0401 118.9354 58.2727 31.8200 178.7360 56 K 3.9470 8.3368 118.9114 59.0664 32.4654 178.0071 57 A 4.4382 7.6957 118.6250 51.9314 19.0119 177.1228 58 S 4.2302 7.5489 113.6074 57.5578 62.6074 174.3914 59 E 4.0119 8.8687 129.5627 59.3948 29.4631 178.2592 60 D 4.4852 8.1544 118.7089 57.2272 40.9359 178.2393 61 L 3.0728 8.1728 121.1494 57.5378 41.9382 178.8875 62 K 3.9063 7.9979 119.6435 59.5713 32.1580 178.9221 63 K 4.0354 8.2483 118.7386 59.4035 31.8829 179.1298 64 Q 4.2136 8.4552 120.0736 59.2184 29.0075 178.4673 65 G 3.7280 8.6029 107.1320 47.8565 0.0000 175.7636 66 V 3.5996 7.8698 120.6225 65.6651 31.5573 177.9363 67 R 3.9425 8.0631 118.4652 59.5080 29.8339 178.5457 68 V 3.6470 8.0431 117.8215 66.2732 31.5795 178.1016 69 L 4.2241 8.1638 118.6543 57.9355 41.4039 179.7922 70 T 4.0017 8.1993 115.7603 66.4981 68.5713 176.5911 71 A 3.9991 8.1733 122.7696 55.1822 18.3656 179.4649 72 L 3.7237 8.2980 119.2602 58.0823 42.1204 179.3540 73 G 3.1478 8.4910 105.9157 47.6158 0.0000 175.5473 74 A 3.9965 7.8752 122.1439 54.7190 18.6488 179.6349 75 I 3.7750 7.3967 118.0882 64.5685 37.1398 178.5795 76 L 3.9810 7.9073 120.1939 57.6973 41.2027 179.5561 77 K 3.9316 7.7609 116.6543 58.2776 32.2560 178.6998 78 K 3.9356 7.8017 118.4121 56.0143 32.8756 176.4100 79 K 2.0000 8.2470 118.6592 56.2998 29.6647 175.5164 80 G 3.8988 7.6609 105.5490 45.6500 0.0000 173.3474 81 H 4.6077 7.2863 119.1696 55.1384 27.4079 174.7308 82 H 5.4833 7.2362 110.9073 54.3752 29.6619 176.5691 83 E 3.9382 8.4872 122.6938 60.1823 29.1105 178.3501 84 A 4.0193 7.9028 118.9664 55.3230 17.3033 179.0380 85 E 4.0921 8.1465 116.6011 59.4418 29.5921 179.3216 86 L 4.3821 8.2578 119.0653 57.3690 41.6750 178.8292 87 K 3.8679 7.9371 118.7729 59.4864 31.9859 177.2296 88 P 4.3063 0.0000 0.0000 65.8101 31.2266 178.2940 89 L 4.0030 7.5504 118.2022 57.9618 42.0036 178.7007 90 A 4.1868 8.4979 121.2291 55.2039 18.2789 179.4103 91 Q 3.8969 8.3127 118.2237 59.3584 29.1390 178.6149 92 S 4.0299 8.2547 115.3619 61.9635 62.9506 176.1988 93 H 4.1766 8.7475 119.8825 58.0743 28.1978 177.7551 94 A 2.6708 8.0808 122.3540 54.4748 18.3069 178.8793 95 T 4.0099 7.4660 112.0913 64.5900 69.6350 176.3633 96 K 3.9887 7.4460 120.3038 59.1089 32.6284 177.2362 97 H 4.3939 7.9981 114.0341 55.6047 29.7104 175.3991 98 K 3.2660 7.5111 117.2534 57.0813 28.5659 175.5070 99 I 4.3106 7.9411 118.7222 58.5762 38.1670 174.8699 100 P 4.6323 0.0000 0.0000 62.4487 31.9080 177.5487 101 I 3.7008 8.8922 120.9578 64.4075 36.8720 178.6166 102 K 3.7935 7.9440 120.0477 59.8478 31.9489 178.1909 103 Y 4.1939 7.9797 116.6525 60.6325 37.8149 178.0382 104 L 4.2200 7.9121 119.8850 57.5956 41.7836 179.0775 105 E 4.0140 8.2851 118.8712 59.4166 29.4073 179.2032 106 F 4.5102 7.8798 117.7923 60.9330 38.9474 177.6848 107 I 3.8504 8.2051 118.0461 64.0142 37.7627 178.0730 108 S 4.1818 8.3341 116.3660 61.5046 62.5737 176.1908 109 E 4.0166 8.5174 121.7996 59.3066 29.3404 178.7742 110 A 3.9996 8.1596 120.8556 55.1319 18.3163 179.7244 111 I 3.6322 8.0464 118.5014 64.5961 37.1137 178.7439 112 I 3.7789 7.9637 120.6854 64.5224 36.9235 177.9634 113 H 4.1118 8.5251 119.3029 59.3623 29.6595 177.5485 114 V 3.5274 8.0015 120.1500 65.9594 31.3531 177.9905 115 L 3.7113 7.9622 119.0839 57.8145 41.0125 178.9452 116 H 4.3939 8.0748 117.7643 59.2029 29.8441 177.0990 117 S 4.1349 7.7529 114.2341 61.4345 62.3799 175.9556 118 R 4.0293 7.9482 119.5073 57.6557 31.3000 176.6084 119 H 5.0528 8.0540 114.9197 53.9060 29.1828 173.0927 120 P 4.3382 0.0000 0.0000 65.6847 31.7426 178.6693 121 G 3.7660 8.1501 106.8530 47.8421 0.0000 173.6044 122 N 5.0914 8.4292 114.1238 52.6910 40.6304 174.2974 123 F 4.8757 7.9860 118.9836 56.5836 39.7664 174.4034 124 G 3.9146 7.7148 108.4012 43.8612 0.0000 172.3277 125 A 3.8951 8.3866 120.6133 55.3533 18.2772 179.6654 126 D 4.2052 7.9691 116.6139 57.4566 40.8714 178.7751 127 A 3.8672 7.7285 120.7728 55.0025 18.3768 179.2857 128 Q 2.8815 7.6847 118.2806 58.7051 29.0327 178.5404 129 G 3.5716 7.9301 106.5199 47.9078 0.0000 175.4516 130 A 3.8594 7.9983 123.7332 54.8732 18.2780 179.4291 131 M 4.0082 8.3067 117.0754 58.6283 32.3439 177.8456 132 N 4.2870 8.5454 117.7517 56.6106 39.0502 176.6919 133 K 3.8443 8.0336 120.6681 59.4849 32.2659 178.6058 134 A 3.8281 7.9134 120.9965 55.1439 18.1739 179.5991 135 L 4.1282 8.3097 117.7069 57.5846 41.7451 179.2321 136 E 3.9425 8.7441 120.0656 59.0295 29.4657 178.6040 137 L 3.9771 8.2139 120.6476 57.9670 42.0953 178.5656 138 F 4.1203 8.4383 120.6209 61.5943 39.2600 177.3704 139 R 3.4044 8.2881 117.7936 58.7860 29.8215 178.9052 140 K 3.7987 8.4338 119.7970 59.7706 32.2356 178.6507 141 D 4.3314 8.2963 119.3354 57.1991 40.6712 178.8189 142 I 3.3803 7.6395 120.5479 64.1467 36.9957 178.2976 143 A 3.7109 7.9539 121.6880 54.9576 18.1307 179.5730 144 A 3.9332 7.8749 119.3390 55.1385 18.4561 179.8305 145 K 3.9741 8.0192 118.1924 59.5664 32.1566 178.5493 146 Y 4.4517 8.4314 117.7159 61.2678 37.9952 178.7229 147 K 3.9728 8.1651 120.2469 59.6716 32.0755 178.6770 148 E 4.0521 8.0905 117.8595 59.0452 29.4592 178.5571 149 L 4.3768 7.8738 116.9137 55.1389 41.9871 177.6873 150 G 3.9464 7.9653 107.0557 45.2210 0.0000 172.2015 151 Y 4.7831 7.8969 120.7631 55.0196 40.5901 175.4416 152 Q 3.8319 8.4763 125.9126 58.9086 29.0388 176.6631 153 G 3.6893 6.1770 112.1842 44.8401 0.0000 172.8441 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 0 M 8.30 4.46 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 1 V 7.84 4.26 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 0.89 0.00 0.00 0.95 0.00 0.00 2 L 8.32 4.32 0.00 0.87 0.74 0.59 -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 3 S 8.77 4.55 0.00 4.04 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 4 E 8.83 4.28 0.00 2.20 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 2.44 2.52 0.00 5 G 8.11 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 6 E 8.13 3.91 0.00 1.94 1.70 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 2.20 2.25 0.00 7 W 8.16 4.35 0.00 3.58 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 8 Q 8.78 4.16 0.00 2.25 2.26 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 2.70 2.62 0.00 9 L 7.98 4.07 0.00 1.86 1.72 0.87 0.54 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 10 V 7.97 3.76 2.46 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 1.19 0.00 0.00 0.93 0.00 0.00 11 L 8.44 4.32 0.00 1.85 1.78 0.96 1.12 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 H 8.42 4.23 0.00 3.30 3.45 0.00 5.85 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.87 3.83 2.50 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 1.14 0.00 0.00 0.90 0.00 0.00 14 W 8.57 3.87 0.00 3.64 3.19 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 15 A 7.98 4.00 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 16 K 7.82 3.98 0.00 1.48 1.61 0.00 1.69 0.00 0.00 1.52 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.50 7.81 17 V 7.25 2.70 0.97 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 0.06 0.00 0.00 0.19 0.00 0.00 18 E 7.72 4.00 0.00 2.03 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 0.00 2.31 2.24 0.00 19 A 7.57 4.18 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 20 D 7.87 4.70 0.00 2.72 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.81 3.62 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 0.79 0.00 0.00 0.87 0.00 0.00 22 A 8.01 4.05 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 23 G 8.27 3.70 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 0.00 0.00 0.00 24 H 8.24 4.15 0.00 3.23 3.17 0.00 5.82 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 8.31 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.07 4.05 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 27 D 7.95 4.38 0.00 2.75 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 28 I 7.73 3.58 1.76 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 1.43 0.65 0.68 0.00 0.00 29 Y 7.75 3.70 0.00 2.78 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.91 3.72 1.90 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 1.42 0.74 0.95 0.00 0.00 31 R 8.05 3.79 0.00 1.93 2.08 0.00 3.00 0.00 0.00 2.80 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 32 L 7.95 3.91 0.00 1.73 1.43 1.08 1.40 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 33 F 8.21 4.57 0.00 3.02 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 34 K 8.18 3.98 0.00 1.74 1.95 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.45 7.81 35 S 8.01 4.24 0.00 3.81 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 36 H 8.27 4.73 0.00 2.88 2.69 0.00 5.63 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 37 P 0.00 4.55 0.00 2.15 2.11 0.00 3.82 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 38 E 8.47 4.38 0.00 2.30 2.29 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 2.21 2.37 0.00 39 T 8.04 3.82 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 0.92 0.00 0.00 40 L 7.99 3.71 0.00 1.20 1.67 -0.21 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.14 4.14 0.00 2.24 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 2.36 2.46 0.00 42 K 8.14 4.46 0.00 1.91 1.76 0.00 1.91 0.00 0.00 1.78 0.00 0.00 3.19 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.77 1.94 7.81 43 F 8.26 4.52 0.00 3.33 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 44 D 8.63 4.41 0.00 2.62 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 R 7.71 3.85 0.00 0.75 1.12 0.00 2.97 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.44 0.00 46 F 7.52 4.93 0.00 2.87 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 47 K 8.17 4.02 0.00 1.87 2.21 0.00 1.61 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.70 1.40 7.81 48 H 8.11 4.45 0.00 3.29 3.44 0.00 5.53 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 49 L 7.56 3.94 0.00 1.55 1.56 0.86 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.10 4.32 0.00 1.84 1.84 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.50 7.81 51 T 7.30 4.75 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 1.20 0.00 0.00 52 E 8.66 3.93 0.00 2.05 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 2.37 2.37 0.00 53 A 7.97 4.01 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 54 E 7.94 3.97 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 2.34 2.34 0.00 55 M 8.04 4.15 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.56 0.00 56 K 8.34 3.95 0.00 1.75 1.97 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.48 7.81 57 A 7.70 4.44 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 58 S 7.55 4.23 0.00 3.83 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 59 E 8.87 4.01 0.00 2.14 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 2.40 2.50 0.00 60 D 8.15 4.49 0.00 3.06 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 61 L 8.17 3.07 0.00 1.05 1.51 -0.64 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.00 3.91 0.00 1.95 1.97 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.48 7.81 63 K 8.25 4.04 0.00 2.06 1.92 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.50 1.58 7.81 64 Q 8.46 4.21 0.00 2.46 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.64 2.81 0.00 65 G 8.60 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 0.00 0.00 0.00 66 V 7.87 3.60 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 1.02 0.00 0.00 0.99 0.00 0.00 67 R 8.06 3.94 0.00 2.17 2.11 0.00 3.24 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 68 V 8.04 3.65 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 1.06 0.00 0.00 1.24 0.00 0.00 69 L 8.16 4.22 0.00 1.78 1.89 0.84 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.20 4.00 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 1.26 0.00 0.00 71 A 8.17 4.00 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 72 L 8.30 3.72 0.00 1.55 1.72 0.25 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.49 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 0.00 0.00 0.00 74 A 7.88 4.00 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 75 I 7.40 3.78 1.86 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 1.53 0.86 0.90 0.00 0.00 76 L 7.91 3.98 0.00 1.37 1.60 -0.11 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.76 3.93 0.00 1.77 1.79 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.51 7.81 78 K 7.80 3.94 0.00 1.84 1.80 0.00 1.73 0.00 0.00 1.58 0.00 0.00 3.20 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.59 1.75 7.81 79 K 8.25 2.00 0.00 1.16 0.74 0.00 1.37 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.46 1.02 7.81 80 G 7.66 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 81 H 7.29 4.61 0.00 3.16 3.20 0.00 5.80 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.24 5.48 0.00 3.28 3.44 0.00 5.65 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.49 3.94 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 84 A 7.90 4.02 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 85 E 8.15 4.09 0.00 2.25 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 2.47 0.00 86 L 8.26 4.38 0.00 1.93 1.71 1.01 0.64 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 87 K 7.94 3.87 0.00 1.94 1.86 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.49 1.66 7.81 88 P 0.00 4.31 0.00 2.30 2.34 0.00 3.86 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 89 L 7.55 4.00 0.00 1.83 1.91 0.95 1.13 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 90 A 8.50 4.19 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.31 3.90 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 92 S 8.25 4.03 0.00 4.02 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 0.00 93 H 8.75 4.18 0.00 3.61 3.65 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 8.08 2.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.47 4.01 4.21 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 1.11 0.00 0.00 96 K 7.45 3.99 0.00 1.54 1.60 0.00 1.54 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.20 1.34 7.81 97 H 8.00 4.39 0.00 3.01 3.14 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.51 3.27 0.00 1.79 1.72 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.18 1.28 7.81 99 I 7.94 4.31 2.11 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.96 1.17 0.00 0.00 100 P 0.00 4.63 0.00 1.95 2.00 0.00 3.23 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.52 0.00 101 I 8.89 3.70 1.87 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.76 0.82 0.00 0.00 102 K 7.94 3.79 0.00 1.68 1.66 0.00 1.72 0.00 0.00 1.97 0.00 0.00 3.29 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.78 1.25 7.81 103 Y 7.98 4.19 0.00 3.25 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 0.00 104 L 7.91 4.22 0.00 1.86 1.81 0.76 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.29 4.01 0.00 2.03 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 2.32 2.48 0.00 106 F 7.88 4.51 0.00 3.21 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 0.00 107 I 8.21 3.85 2.02 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 1.52 1.55 1.07 0.00 0.00 108 S 8.33 4.18 0.00 4.17 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 0.00 109 E 8.52 4.02 0.00 2.17 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 2.38 2.41 0.00 110 A 8.16 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.05 3.63 2.10 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 1.55 0.83 1.03 0.00 0.00 112 I 7.96 3.78 2.11 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.86 1.14 0.00 0.00 113 H 8.53 4.11 0.00 3.27 3.46 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.00 3.53 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 0.96 0.00 0.00 0.95 0.00 0.00 115 L 7.96 3.71 0.00 0.32 0.46 0.77 0.95 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 H 8.07 4.39 0.00 3.47 3.56 0.00 5.75 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.75 4.13 0.00 3.85 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 0.00 118 R 7.95 4.03 0.00 1.63 1.52 0.00 2.96 0.00 0.00 2.97 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 119 H 8.05 5.05 0.00 3.24 3.22 0.00 5.62 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 0.00 120 P 0.00 4.34 0.00 2.17 2.16 0.00 3.83 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 1.98 1.94 0.00 121 G 8.15 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 0.00 122 N 8.43 5.09 0.00 2.76 2.88 0.00 0.00 6.67 6.78 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 0.00 123 F 7.99 4.88 0.00 3.01 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.71 3.91 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 0.00 125 A 8.39 3.90 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 7.97 4.21 0.00 2.64 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 0.00 127 A 7.73 3.87 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 0.00 128 Q 7.68 2.88 0.00 1.16 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 129 G 7.93 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 3.86 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 0.00 131 M 8.31 4.01 0.00 2.39 2.39 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 2.78 2.94 0.00 132 N 8.55 4.29 0.00 2.86 2.94 0.00 0.00 6.84 6.30 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 0.00 133 K 8.03 3.84 0.00 1.93 1.68 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.37 7.81 134 A 7.91 3.83 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 0.00 135 L 8.31 4.13 0.00 1.76 1.83 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.74 3.94 0.00 2.10 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 0.00 2.30 2.31 0.00 137 L 8.21 3.98 0.00 1.83 1.98 1.09 1.10 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 0.00 138 F 8.44 4.12 0.00 3.13 3.29 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 0.00 139 R 8.29 3.40 0.00 1.82 1.83 0.00 3.18 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 1.67 2.01 0.00 140 K 8.43 3.80 0.00 1.80 1.97 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.45 7.81 141 D 8.30 4.33 0.00 2.75 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 0.00 142 I 7.64 3.38 1.17 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 -0.36 0.04 0.00 0.00 143 A 7.95 3.71 1.24 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 0.00 0.00 144 A 7.87 3.93 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 0.00 145 K 8.02 3.97 0.00 1.99 1.96 0.00 1.58 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.59 7.81 146 Y 8.43 4.45 0.00 3.08 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 0.00 147 K 8.17 3.97 0.00 1.87 1.99 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 148 E 8.09 4.05 0.00 2.20 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 0.00 2.36 2.54 0.00 149 L 7.87 4.38 0.00 1.84 1.72 1.01 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.97 3.95 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 0.00 0.00 0.00 151 Y 7.90 4.78 0.00 2.56 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 0.00 152 Q 8.48 3.83 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.34 0.00 0.00 0.00 0.00 0.00 1.81 2.11 0.00 153 G 6.18 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