NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *14 Y 4.4400 8.1401 119.1503 56.5239 38.6050 173.8829 15 A 4.4287 8.3268 126.7764 49.0452 20.8830 174.2534 16 A 4.3960 8.6433 126.3276 54.6396 19.7554 175.4670 17 W 5.8572 7.4201 107.9236 54.3344 32.3486 173.6404 18 R 4.6166 8.7998 117.6135 55.4482 32.8303 173.2890 19 R 5.2433 8.8837 126.2463 55.4726 32.1226 176.0975 20 A 4.4766 9.8248 129.1828 52.0111 21.5171 176.4825 21 G 3.8827 8.4787 114.4514 48.3221 0.0000 173.2717 22 D 4.5183 8.8296 124.1491 54.4096 41.1501 175.0866 23 F 5.1590 8.2353 119.0781 55.7653 42.1108 174.6511 24 I 5.2096 8.8074 122.5490 59.6887 40.6516 174.2890 25 F 5.0819 9.7529 126.2683 55.8663 40.9891 174.9614 26 L 5.0909 8.7334 124.1473 53.4152 43.0025 177.0652 27 S 4.3454 8.7388 118.9455 58.3708 63.6445 174.6664 28 G 3.9977 8.7205 109.8484 46.5034 0.0000 172.5425 29 I 4.8292 9.1572 125.6014 59.3517 39.7740 174.8372 30 I 4.8001 8.2462 118.8636 57.8136 40.6432 174.1898 31 P 4.7887 0.0000 0.0000 62.2234 29.2614 175.0935 32 V 4.7182 7.3155 114.9271 59.7471 35.1213 176.2802 33 N 4.8004 9.1292 123.8094 52.6898 39.0798 174.3274 34 P 4.3493 0.0000 0.0000 65.6390 32.3783 177.7333 35 L 3.9529 8.2755 120.3014 56.1594 40.2000 182.8695 36 T 3.9775 8.7991 110.4147 63.2879 69.1268 177.8112 37 G 4.0167 7.9759 107.7454 45.2497 0.0000 173.3061 38 T 4.1769 7.4978 116.5111 63.1229 69.8622 173.7902 39 I 4.2742 8.1609 126.6498 60.5676 38.1131 175.9723 40 V 3.8046 8.3269 128.4673 63.1490 31.4454 175.3734 41 N 4.8355 9.6973 123.8413 51.5073 38.6138 174.0849 42 G 3.7254 7.4014 106.4078 45.7804 0.0000 173.0448 43 F 4.4492 7.8938 116.7852 60.9398 38.8551 177.9271 44 Q 4.0643 8.2696 117.6962 58.5303 28.5430 176.9348 45 D 4.8261 8.0603 116.0104 54.0928 41.1696 176.4318 46 V 4.5979 7.7169 112.7056 58.2460 35.1795 173.6711 47 P 4.1706 0.0000 0.0000 63.3275 32.1681 177.0254 48 E 3.8796 9.0577 122.5432 59.1868 29.3526 177.8637 49 P 4.3391 0.0000 0.0000 64.8064 31.6866 178.3022 50 V 3.3968 7.4034 118.4201 65.4902 31.2032 177.9192 51 R 3.6148 7.4151 117.8463 59.2728 29.8337 178.4947 52 E 3.9235 7.8039 117.5867 58.2540 29.5333 178.0053 53 L 4.0206 7.3287 119.5302 57.4079 42.2382 177.6914 54 L 4.5135 7.6138 116.9658 54.7570 41.9564 177.2225 55 G 4.0429 7.6245 107.6221 45.1380 0.0000 173.7503 56 A 4.1365 7.4490 122.0493 52.5316 18.5511 178.6008 57 T 4.3284 9.2029 110.5764 61.1140 70.3786 175.7730 58 G 4.0010 8.3001 110.5514 45.4608 0.0000 174.3406 59 E 4.2016 7.7786 120.4672 55.7839 31.0069 177.3242 60 F 4.1874 8.8722 125.8560 61.7888 39.8654 177.6986 61 S 3.8988 8.0724 114.2265 61.6484 62.6567 176.6851 62 T 3.9031 7.7956 118.0042 66.8390 68.2386 176.4109 63 D 4.5493 8.2065 120.6084 57.1551 40.5917 178.6612 64 A 3.7806 7.5785 120.7163 54.9717 18.3739 179.5913 65 K 3.9900 7.6264 115.8557 59.3012 32.6365 179.0909 66 Q 3.7416 8.3804 117.7892 57.6747 28.8879 178.0326 67 G 2.5449 7.8257 108.5257 47.1336 0.0000 173.8724 68 P 4.0568 0.0000 0.0000 64.9713 31.3745 178.6411 69 I 3.5747 7.2803 117.0377 63.7823 37.8358 177.8285 70 L 4.0348 7.5877 119.2525 57.7744 41.4678 179.2067 71 A 4.1808 8.0196 120.9016 55.5337 18.3493 179.7616 72 Q 4.0237 8.3587 116.6659 59.1355 28.6874 179.1675 73 S 4.2579 8.4806 116.4488 61.2892 62.9355 176.5428 74 W 4.1497 8.6677 131.2258 60.8276 30.4478 177.1700 75 Y 3.4919 8.6851 119.7010 60.6404 38.1000 178.5817 76 V 3.5903 7.8256 118.9165 65.8482 31.7178 178.0192 77 L 3.5493 7.8675 119.0988 57.6446 41.2641 179.1952 78 E 3.8236 7.7833 119.4566 59.0633 29.3009 178.9593 79 S 3.9148 7.4254 114.8345 61.4816 62.9016 176.5821 80 I 3.5866 7.4894 122.2811 64.4357 36.9082 177.9691 81 R 3.7818 7.8431 119.2785 59.9962 29.6132 178.5348 82 R 3.8983 8.0624 116.6681 59.4586 30.3171 179.1149 83 T 3.9594 8.2107 115.8426 66.7638 68.6311 176.8557 84 V 3.3373 8.1411 120.1380 65.9131 31.2475 177.9614 85 A 4.2132 8.1168 122.1744 54.2834 17.9807 179.3215 86 S 4.4186 7.5352 107.9949 59.0982 62.8441 174.5174 87 A 4.2612 7.2684 120.9696 51.7729 20.2193 177.4260 88 G 3.8404 8.5935 106.6176 45.1994 0.0000 174.4407 89 G 4.0235 7.5926 109.0269 44.2356 0.0000 175.4199 90 Q 4.1584 9.5732 117.9288 56.2505 28.1839 177.7971 *92 S 4.6120 9.2191 111.1264 57.6561 65.3249 174.2692 93 D 4.6057 8.2597 120.9718 54.9183 41.2083 176.3753 94 V 4.4045 7.6814 119.1779 62.4782 30.3363 174.8315 95 I 4.1997 8.3683 121.8892 61.6168 39.4513 175.5355 96 K 4.9801 8.0630 123.9762 54.3877 35.5299 174.6291 97 L 5.2837 9.0050 126.7151 52.9218 45.4852 175.4106 98 V 4.5654 8.9823 123.8915 61.2852 33.7213 174.1698 99 Q 4.7975 9.1055 127.5829 54.2355 31.5665 174.0927 100 Y 5.3349 8.8445 122.4489 56.3004 40.5500 174.8986 101 F 5.3512 9.5850 123.0977 55.7415 42.0420 176.8734 102 R 4.4965 8.6073 120.4988 58.2447 30.9152 176.7173 103 N 4.7967 8.2111 117.4732 51.5394 39.9890 174.5161 104 L 3.7760 9.6454 127.6967 56.6119 41.4055 178.7438 105 D 4.4565 8.6046 119.0777 56.7845 41.1650 177.2645 106 H 5.0082 8.5309 116.4506 56.7285 28.9213 176.8553 107 F 4.0546 8.2714 124.1581 61.0470 39.2482 174.9029 108 P 4.1793 0.0000 0.0000 65.9156 31.0437 178.2018 109 Y 4.0780 7.7814 114.7975 61.2159 37.9368 177.5563 110 Y 4.1036 8.1368 120.1679 60.8110 39.0747 177.9078 111 S 3.8205 8.0866 114.4322 61.1714 62.1064 175.9202 112 R 3.8320 7.5550 120.2901 59.6647 30.1024 178.2703 113 V 3.8471 7.5805 117.2884 66.0792 31.4530 177.9399 114 R 3.8898 8.1076 118.8506 59.2253 29.3393 178.3225 115 K 3.9433 8.0002 118.1507 59.8032 31.9186 178.9569 116 L 4.0986 7.8057 116.9388 56.7732 41.5365 177.8221 117 F 4.4552 8.3420 115.8729 57.5103 40.8317 175.5420 118 Y 4.7745 7.4611 116.7165 55.3219 37.9464 173.1958 119 P 4.6593 0.0000 0.0000 65.6351 33.6408 178.6969 120 D 4.9039 7.8397 120.6039 53.6739 39.3714 179.2885 121 Q 4.3819 8.9922 132.7752 54.4982 28.6249 173.4650 122 P 4.0334 0.0000 0.0000 62.2453 31.5704 173.6534 123 P 4.5621 0.0000 0.0000 61.1686 33.2578 175.5421 124 V 3.7739 8.3429 119.9867 63.5836 32.6100 174.8052 125 S 5.0240 8.3870 120.0964 57.3322 65.5162 172.9740 126 T 4.6770 8.8629 123.3875 61.7022 71.8301 173.3463 127 V 4.8582 8.2564 124.4363 61.4792 34.2297 174.7063 128 V 4.5684 8.7138 120.6118 59.5434 36.2639 174.6035 129 Q 5.0048 8.7311 124.7453 55.6129 29.3744 175.1935 130 V 4.4493 9.0025 120.4997 59.8322 34.8197 177.3431 131 S 4.1719 8.7193 116.6290 61.5451 63.1021 173.7512 132 E 4.4112 7.4213 116.9180 55.4592 31.5727 173.4691 *134 L 4.1218 8.2041 116.7747 54.4752 42.6078 175.0385 135 P 4.5656 0.0000 0.0000 63.4568 32.4015 174.5249 136 D 4.5360 7.3640 117.3850 52.2908 41.8542 175.6288 137 A 4.1232 8.4495 121.5597 54.8139 18.3208 178.6921 138 T 3.9802 8.9751 106.1599 62.9697 69.0589 174.7645 139 V 3.8516 7.4395 123.0897 62.5986 31.6355 175.2721 140 L 4.5831 9.3680 127.5831 55.5178 43.2152 176.3036 141 I 4.5470 7.3417 117.8692 59.4941 41.1356 173.4796 142 E 4.7839 9.0673 129.3019 54.6405 33.2543 173.7937 143 V 4.6720 8.4801 126.1750 61.0489 34.7042 173.5339 144 E 5.0568 9.4912 128.2603 54.3455 32.1712 174.2120 145 A 5.3386 8.7018 127.5615 50.4523 22.4290 174.7381 146 T 4.8894 8.8361 117.7476 61.6408 72.1448 173.2412 147 V 4.6801 9.1850 126.2629 60.8073 34.4309 173.8416 148 W 4.7890 8.6946 135.0000 55.8307 31.8857 175.9859 149 L 4.0653 8.6621 130.0941 52.8697 43.1231 173.4573 150 P 4.5480 0.0000 0.0000 61.5608 31.1950 176.3961 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 *14 Y 8.14 4.44 0.00 2.35 2.15 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 15 A 8.33 4.43 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.64 4.40 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 17 W 7.42 5.86 0.00 3.44 3.04 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 0.00 0.00 0.00 0.00 18 R 8.80 4.62 0.00 1.98 1.94 0.00 3.21 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 19 R 8.88 5.24 0.00 2.18 1.99 0.00 3.43 0.00 0.00 3.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.98 0.00 20 A 9.82 4.48 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 21 G 8.48 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.83 4.52 0.00 2.56 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 0.00 0.00 0.00 23 F 8.24 5.16 0.00 3.34 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 0.00 0.00 0.00 0.00 24 I 8.81 5.21 1.83 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.09 0.99 0.00 0.00 25 F 9.75 5.08 0.00 3.09 3.05 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 26 L 8.73 5.09 0.00 1.79 1.69 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.74 4.35 0.00 3.84 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 28 G 8.72 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 29 I 9.16 4.83 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 1.32 1.39 0.93 0.00 0.00 30 I 8.25 4.80 1.86 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 1.41 0.69 0.98 0.00 0.00 31 P 0.00 4.79 0.00 2.03 2.47 0.00 3.62 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 2.01 2.11 0.00 32 V 7.32 4.72 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 0.68 0.00 0.00 0.96 0.00 0.00 33 N 9.13 4.80 0.00 2.83 2.73 0.00 0.00 7.10 8.24 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 34 P 0.00 4.35 0.00 2.14 2.15 0.00 3.87 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 35 L 8.28 3.95 0.00 1.66 1.33 0.92 0.78 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 36 T 8.80 3.98 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 37 G 7.98 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 38 T 7.50 4.18 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 39 I 8.16 4.27 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.71 0.85 0.00 0.00 40 V 8.33 3.80 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 0.73 0.00 0.00 0.14 0.00 0.00 41 N 9.70 4.84 0.00 2.76 2.80 0.00 0.00 6.88 6.91 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 42 G 7.40 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 43 F 7.89 4.45 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.27 4.06 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.05 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 45 D 8.06 4.83 0.00 2.83 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 46 V 7.72 4.60 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 0.97 0.00 0.00 0.90 0.00 0.00 47 P 0.00 4.17 0.00 1.92 1.95 0.00 2.93 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 48 E 9.06 3.88 0.00 2.00 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 2.37 2.41 0.00 49 P 0.00 4.34 0.00 2.18 2.23 0.00 3.53 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 50 V 7.40 3.40 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 0.58 0.00 0.00 51 R 7.42 3.61 0.00 1.75 1.26 0.00 3.02 0.00 0.00 2.96 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 52 E 7.80 3.92 0.00 1.93 1.83 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 2.30 2.35 0.00 53 L 7.33 4.02 0.00 1.63 1.67 0.88 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.61 4.51 0.00 2.01 1.90 1.06 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.62 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.45 4.14 0.44 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 57 T 9.20 4.33 4.26 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 1.31 0.00 0.00 58 G 8.30 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 59 E 7.78 4.20 0.00 2.02 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 2.37 2.35 0.00 60 F 8.87 4.19 0.00 3.19 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 61 S 8.07 3.90 0.00 3.95 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 62 T 7.80 3.90 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 1.29 0.00 0.00 63 D 8.21 4.55 0.00 2.90 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 64 A 7.58 3.78 0.98 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 65 K 7.63 3.99 0.00 1.89 1.85 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.58 7.81 66 Q 8.38 3.74 0.00 2.13 2.34 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 2.57 2.46 0.00 67 G 7.83 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.06 0.00 2.01 2.05 0.00 3.48 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.12 0.00 69 I 7.28 3.57 1.49 0.00 0.00 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 1.71 1.56 0.47 0.00 0.00 70 L 7.59 4.03 0.00 1.63 1.84 1.28 0.83 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 71 A 8.02 4.18 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 72 Q 8.36 4.02 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 73 S 8.48 4.26 0.00 4.16 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 74 W 8.67 4.15 0.00 3.59 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 75 Y 8.69 3.49 0.00 3.58 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 76 V 7.83 3.59 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 0.96 0.00 0.00 1.00 0.00 0.00 77 L 7.87 3.55 0.00 1.00 0.13 0.52 0.53 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 78 E 7.78 3.82 0.00 1.17 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.97 0.00 79 S 7.43 3.91 0.00 4.04 3.82 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 80 I 7.49 3.59 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 1.39 0.55 0.87 0.00 0.00 81 R 7.84 3.78 0.00 1.92 2.06 0.00 3.07 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 82 R 8.06 3.90 0.00 1.78 1.93 0.00 3.11 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 83 T 8.21 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 1.27 0.00 0.00 84 V 8.14 3.34 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 0.93 0.00 0.00 0.87 0.00 0.00 85 A 8.12 4.21 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 86 S 7.54 4.42 0.00 4.13 4.11 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 87 A 7.27 4.26 0.05 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 0.00 0.00 88 G 8.59 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 G 7.59 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 90 Q 9.57 4.16 0.00 2.11 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.41 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 *92 S 9.22 4.61 0.00 4.10 4.15 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 93 D 8.26 4.61 0.00 2.70 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 94 V 7.68 4.40 2.34 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 0.97 0.00 0.00 0.97 0.00 0.00 95 I 8.37 4.20 1.89 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 1.25 0.78 1.04 0.00 0.00 96 K 8.06 4.98 0.00 1.84 1.68 0.00 1.69 0.00 0.00 1.86 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.43 7.81 97 L 9.01 5.28 0.00 1.61 1.55 1.12 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.98 4.57 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 0.43 0.00 0.00 0.91 0.00 0.00 99 Q 9.11 4.80 0.00 2.06 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.54 0.00 0.00 0.00 0.00 0.00 2.08 2.25 0.00 100 Y 8.84 5.33 0.00 2.89 2.79 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 0.00 0.00 0.00 0.00 101 F 9.59 5.35 0.00 2.94 3.10 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 0.00 0.00 0.00 0.00 102 R 8.61 4.50 0.00 1.76 2.06 0.00 3.21 0.00 0.00 3.09 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.56 0.00 103 N 8.21 4.80 0.00 2.69 2.57 0.00 0.00 7.25 6.66 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 0.00 104 L 9.65 3.78 0.00 1.57 1.49 0.77 0.44 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 0.00 105 D 8.60 4.46 0.00 2.76 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 0.00 106 H 8.53 5.01 0.00 3.72 3.67 0.00 5.65 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 F 8.27 4.05 0.00 2.88 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 0.00 108 P 0.00 4.18 0.00 1.86 1.97 0.00 3.86 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.25 0.00 109 Y 7.78 4.08 0.00 3.39 3.05 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 0.00 110 Y 8.14 4.10 0.00 3.42 3.30 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 0.00 111 S 8.09 3.82 0.00 3.02 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 0.00 112 R 7.55 3.83 0.00 1.86 2.19 0.00 3.49 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 113 V 7.58 3.85 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1.10 0.00 0.00 114 R 8.11 3.89 0.00 1.35 1.79 0.00 3.23 0.00 0.00 3.51 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.75 0.00 115 K 8.00 3.94 0.00 2.15 1.91 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.65 7.81 116 L 7.81 4.10 0.00 1.66 1.59 1.07 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 117 F 8.34 4.46 0.00 2.92 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 0.00 118 Y 7.46 4.77 0.00 3.03 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 0.00 119 P 0.00 4.66 0.00 2.19 2.17 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 120 D 7.84 4.90 0.00 2.75 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 0.00 0.00 0.00 121 Q 8.99 4.38 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.98 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 122 P 0.00 4.03 0.00 2.10 2.09 0.00 3.77 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 123 P 0.00 4.56 0.00 1.99 2.06 0.00 3.35 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.81 0.00 124 V 8.34 3.77 2.23 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 0.96 0.00 0.00 0.90 0.00 0.00 125 S 8.39 5.02 0.00 3.87 3.68 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 0.00 126 T 8.86 4.68 4.14 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 1.13 0.00 0.00 127 V 8.26 4.86 1.91 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 0.68 0.00 0.00 1.01 0.00 0.00 128 V 8.71 4.57 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 1.05 0.00 0.00 129 Q 8.73 5.00 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.62 0.00 130 V 9.00 4.45 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 0.99 0.00 0.00 1.09 0.00 0.00 131 S 8.72 4.17 0.00 3.86 3.92 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 0.00 132 E 7.42 4.41 0.00 1.87 1.80 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 2.18 2.32 0.00 *134 L 8.20 4.12 0.00 1.67 1.60 0.89 0.93 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 0.00 135 P 0.00 4.57 0.00 2.15 2.14 0.00 3.77 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 1.91 1.92 0.00 136 D 7.36 4.54 0.00 2.86 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 0.00 137 A 8.45 4.12 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 0.00 138 T 8.98 3.98 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 1.19 0.00 0.00 139 V 7.44 3.85 2.20 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 0.75 0.00 0.00 0.90 0.00 0.00 140 L 9.37 4.58 0.00 1.62 1.70 0.81 0.51 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 0.00 141 I 7.34 4.55 1.53 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 1.03 0.19 0.87 0.00 0.00 142 E 9.07 4.78 0.00 2.02 1.74 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 2.36 2.46 0.00 143 V 8.48 4.67 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 0.98 0.00 0.00 0.91 0.00 0.00 144 E 9.49 5.06 0.00 2.20 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 2.32 2.35 0.00 145 A 8.70 5.34 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 0.00 146 T 8.84 4.89 4.26 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 0.91 0.00 0.00 147 V 9.18 4.68 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 0.82 0.00 0.00 0.93 0.00 0.00 148 W 8.69 4.79 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 0.00 149 L 8.66 4.07 0.00 1.40 1.30 0.79 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 150 P 0.00 4.55 0.00 1.71 1.61 0.00 3.10 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.67 0.00 * Residues marked with a * may have inaccurate shift predictions.