NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4347 8.1927 116.7918 57.9929 64.2373 173.9597 -1 N 4.0015 8.7446 121.0499 56.4073 38.5842 175.1242 0 A 4.4662 8.7638 122.4422 54.0610 19.9144 178.6140 1 E 3.8847 8.0396 116.6513 59.5742 29.3390 178.8797 2 E 3.9357 7.9454 117.2808 59.6587 30.0135 178.9917 3 L 4.1461 7.3247 118.7588 58.4039 41.7206 179.9383 4 Q 4.0412 8.0670 116.8990 58.6726 28.4916 178.2458 5 A 3.9554 8.1292 121.3908 55.0096 18.1712 178.9756 6 L 4.1295 7.7469 118.5999 57.9426 42.3253 179.1101 7 V 3.7463 7.6094 117.8259 65.8381 31.3627 177.4095 8 D 4.5837 8.3103 117.6307 56.2940 40.8959 176.7814 9 N 4.5861 7.5427 114.0587 54.0771 39.3855 175.2426 10 I 3.9425 7.2261 118.0657 60.5478 36.7702 174.1548 11 P 4.6254 0.0000 0.0000 63.1511 31.7424 175.8015 12 A 4.7987 7.7890 119.7616 51.6474 21.7272 176.7123 13 A 4.5782 8.1211 122.0784 50.8711 22.2519 176.1738 14 I 4.2329 8.3705 124.7326 61.0541 38.4541 174.7464 15 Y 5.2312 7.9620 123.6732 55.4096 41.6600 173.8160 16 H 4.8202 9.2624 119.7557 54.2163 33.1125 171.8645 17 L 5.0794 8.3029 127.5624 53.3529 43.8424 175.7682 18 D 4.7303 8.5990 126.9661 52.1600 40.9432 177.6082 19 V 3.7212 8.2415 111.7898 63.7873 31.5112 177.4021 20 S 4.4506 8.2516 112.7207 57.9867 63.1727 174.7629 21 G 3.7965 8.2449 108.7132 45.5372 0.0000 172.9099 22 Q 4.4494 8.8673 122.2879 54.4723 30.3491 174.1641 23 A 5.2961 8.5797 129.2608 50.8177 20.4806 175.9574 24 T 4.6161 8.8285 113.4121 59.6152 71.7339 173.6362 25 I 4.1345 8.3828 126.9282 61.3039 37.9050 175.5011 26 R 4.2733 8.6864 127.2317 55.0455 30.9425 176.0561 27 F 4.9262 8.7306 123.4481 55.7155 40.3196 174.9748 28 R 4.6000 8.5487 126.2887 53.4374 31.8800 173.7225 29 P 4.5117 0.0000 0.0000 61.3438 32.5120 174.0963 30 P 4.2632 0.0000 0.0000 62.9913 32.0781 177.1112 31 A 4.0293 9.0942 124.2045 55.7381 17.9442 180.3304 32 F 4.2540 8.4805 110.7506 59.8257 38.1600 176.6655 33 L 3.8225 6.9738 117.7906 54.9243 41.3016 178.3661 34 K 3.7347 7.7356 120.7815 59.8394 32.1991 177.5330 35 T 4.3145 7.6853 108.6329 62.4750 67.9194 174.2272 36 L 4.7436 7.7179 119.2949 55.1807 43.0983 176.0360 37 V 4.9479 7.6925 111.2370 59.6654 35.2922 174.9781 38 S 4.8513 8.7731 117.6841 56.8436 66.9813 172.9685 39 E 4.7801 8.6383 121.7481 55.7061 30.9906 175.8549 40 H 4.2859 9.3354 122.6418 56.2909 32.4784 173.2107 41 A 3.6151 9.1584 130.8235 53.3619 15.6941 177.2327 42 G 4.0225 8.5236 104.5017 47.9148 0.0000 174.3716 43 T 4.6502 7.6811 108.4633 59.5079 71.6248 172.7719 44 T 4.7325 8.4075 120.5271 63.3160 69.3607 174.3986 45 R 4.5036 9.5730 126.8814 54.7665 32.7123 175.4335 46 L 4.6498 8.3689 124.3161 53.3969 43.2119 175.0423 47 N 4.8183 8.6004 124.0737 53.5986 38.5208 177.5780 48 T 4.1151 7.7768 115.1928 64.6270 67.6816 175.6560 49 L 4.1679 7.8567 120.4280 57.0210 42.0754 176.9721 50 S 4.3492 7.2763 112.4662 58.2674 63.1222 174.4899 50 I 4.0492 6.9663 116.6662 61.0674 38.1222 176.2899 53 H 4.0452 8.6364 124.9483 56.5918 30.5597 175.7755 54 H 4.2388 8.4086 120.5319 58.6208 28.5324 176.6341 55 D 4.6994 8.0425 117.3041 55.3614 40.9818 176.2070 56 D 4.8545 7.7055 117.9515 54.1834 42.0843 177.8337 57 R 3.9233 7.7139 118.6264 59.7071 30.3406 179.5970 58 H 4.5128 8.0551 110.9687 55.8947 28.4024 176.9451 *60 L 4.1145 8.1171 122.8869 55.0579 43.1083 178.9364 61 S 3.7843 7.9887 114.0184 61.3236 62.7555 175.8610 62 N 4.2711 8.2907 120.3597 56.5121 38.7014 176.6942 63 A 4.1149 8.0094 121.6222 55.3674 18.4501 179.0695 64 Y 4.0515 8.1146 115.3990 61.2527 37.7039 178.5919 65 S 4.0443 7.8242 112.6210 61.2630 62.2383 176.0380 66 K 4.0566 7.9149 120.6674 59.5950 31.6592 179.3970 67 L 4.1439 7.9375 119.1895 57.6178 41.3180 179.4579 68 R 2.5406 8.0390 118.4266 57.7672 29.9511 177.2255 69 E 4.5620 7.3421 113.6834 55.3257 30.7994 175.4867 70 A 4.1715 7.1932 120.3794 50.8295 22.4425 176.2643 71 K 4.5314 8.5399 123.1227 57.2859 32.0960 175.5404 72 H 5.1775 8.9510 123.8693 53.8128 33.0721 172.5507 73 S 5.0373 8.6246 114.1922 56.6829 64.5816 173.2004 74 L 4.8922 8.3231 124.6671 53.2998 45.6563 175.0011 75 T 4.9275 8.5020 116.8626 61.9552 70.8702 173.5284 76 L 4.9827 9.1246 126.6259 52.8635 45.1405 175.6243 77 V 5.5038 8.7578 121.7228 60.4604 33.9316 174.0088 78 Y 5.0850 7.8585 124.0949 56.0629 41.8492 173.7746 79 R 4.6219 9.8300 120.3624 54.8431 32.6052 175.7148 80 I 5.0097 8.3025 114.2086 59.1342 41.3593 174.1938 81 V 4.9307 8.2922 123.3287 61.3886 33.8459 175.5332 82 T 4.3814 8.6362 118.1629 59.9363 70.2099 173.8225 83 P 4.2229 0.0000 0.0000 65.9567 31.1545 177.7360 84 E 4.2749 8.2014 112.7963 56.3591 29.4512 177.2246 85 G 3.8695 8.1105 105.7118 46.3425 0.0000 174.4836 86 K 4.0350 7.8209 121.6967 55.9065 32.7856 175.0910 87 L 5.1753 8.1712 127.4771 53.7488 44.0981 175.0353 88 H 5.0194 8.6218 121.7006 53.8437 33.3166 172.3499 89 W 4.6740 8.7844 122.1887 55.9023 30.8011 175.1088 90 I 4.7690 8.9479 125.5852 59.3704 39.6572 174.0024 91 E 4.7975 8.9246 128.1642 54.7795 31.5658 174.1210 92 D 5.1291 9.4858 126.4318 52.9390 43.9925 174.2451 93 H 5.3620 9.0530 126.6265 54.5309 32.3771 174.0107 *95 R 4.5409 8.2264 118.8209 55.8408 31.3266 175.4306 96 S 4.7231 9.0362 120.1673 58.4304 63.3063 173.3241 97 S 4.9894 8.4814 118.8431 56.9257 66.7334 172.6930 98 F 5.3264 8.5416 118.0731 56.0550 42.9527 174.9292 99 S 4.3808 9.7107 119.7501 58.1935 63.3245 175.1134 100 D 4.3842 8.6608 121.8451 57.5232 40.5638 177.8424 101 D 4.6865 8.1543 116.4236 53.8249 40.9159 176.9568 102 G 3.9415 8.3941 106.6239 45.9010 0.0000 173.9912 103 L 4.5060 7.6564 119.7795 53.2543 42.6495 176.1608 104 F 3.7966 9.0872 125.6320 58.5036 39.6616 174.7484 105 S 4.1389 7.8001 121.9875 57.8811 63.3073 173.2127 106 G 3.2773 5.3800 106.6659 44.6519 0.0000 172.3912 107 I 4.8315 7.7337 118.2578 59.4260 39.9392 175.1743 108 D 4.8437 8.9716 127.1656 52.7057 42.0688 176.0628 109 G 4.3871 8.6870 109.6207 44.3941 0.0000 171.6776 110 I 4.9282 8.9323 120.4137 59.2609 40.8246 174.7546 111 L 5.4740 8.7795 126.8934 54.1374 43.3869 175.2793 112 C 5.0610 9.1118 115.0285 56.5869 33.7750 172.3678 113 E 4.2944 8.4123 120.5862 55.6909 30.1033 175.5857 114 V 4.1047 8.1107 126.7798 62.0403 32.7763 175.7675 115 T 3.9735 8.1669 121.0708 62.8373 67.0697 172.5424 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 -2 S 8.19 4.43 0.00 3.99 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 -1 N 8.74 4.00 0.00 2.84 3.24 0.00 0.00 6.81 7.27 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 A 8.76 4.47 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 1 E 8.04 3.88 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.20 0.00 2 E 7.95 3.94 0.00 2.13 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 2.35 2.43 0.00 3 L 7.32 4.15 0.00 1.99 1.76 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 8.07 4.04 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 5 A 8.13 3.96 1.37 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 0.00 0.00 6 L 7.75 4.13 0.00 1.91 1.91 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.61 3.75 2.39 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 1.05 0.00 0.00 1.03 0.00 0.00 8 D 8.31 4.58 0.00 2.71 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 9 N 7.54 4.59 0.00 2.76 2.87 0.00 0.00 7.01 7.33 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 10 I 7.23 3.94 1.90 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 1.37 0.64 0.95 0.00 0.00 11 P 0.00 4.63 0.00 2.17 2.14 0.00 3.48 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.16 0.00 12 A 7.79 4.80 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 13 A 8.12 4.58 1.23 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 0.00 0.00 14 I 8.37 4.23 1.81 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 1.35 0.58 0.80 0.00 0.00 15 Y 7.96 5.23 0.00 2.89 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 16 H 9.26 4.82 0.00 3.11 3.14 0.00 5.54 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 17 L 8.30 5.08 0.00 1.82 1.58 0.92 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.60 4.73 0.00 2.93 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 19 V 8.24 3.72 2.08 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 0.75 0.00 0.00 0.94 0.00 0.00 20 S 8.25 4.45 0.00 3.97 3.96 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 0.00 0.00 0.00 21 G 8.24 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 22 Q 8.87 4.45 0.00 2.22 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 23 A 8.58 5.30 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 24 T 8.83 4.62 4.25 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 1.23 0.00 0.00 25 I 8.38 4.13 1.59 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.47 -0.08 0.00 0.00 26 R 8.69 4.27 0.00 1.57 1.82 0.00 3.09 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 27 F 8.73 4.93 0.00 3.05 2.86 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 28 R 8.55 4.60 0.00 1.74 1.82 0.00 3.29 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 29 P 0.00 4.51 0.00 2.09 1.98 0.00 3.85 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 30 P 0.00 4.26 0.00 2.06 2.27 0.00 3.50 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 31 A 9.09 4.03 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 32 F 8.48 4.25 0.00 3.03 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 33 L 6.97 3.82 0.00 1.17 1.40 0.51 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.74 3.73 0.00 1.80 1.87 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.46 7.81 35 T 7.69 4.31 4.25 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 1.28 0.00 0.00 36 L 7.72 4.74 0.00 1.53 1.60 0.99 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.69 4.95 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.98 0.00 0.00 38 S 8.77 4.85 0.00 3.89 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 39 E 8.64 4.78 0.00 1.85 1.88 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 2.27 2.25 0.00 40 H 9.34 4.29 0.00 3.19 3.12 0.00 5.91 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 9.16 3.62 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 42 G 8.52 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 43 T 7.68 4.65 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 1.27 0.00 0.00 44 T 8.41 4.73 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 1.24 0.00 0.00 45 R 9.57 4.50 0.00 1.80 1.81 0.00 3.01 0.00 0.00 3.03 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 46 L 8.37 4.65 0.00 1.60 1.57 0.90 1.00 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 47 N 8.60 4.82 0.00 2.93 2.79 0.00 0.00 6.32 6.83 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 48 T 7.78 4.12 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 1.35 0.00 0.00 49 L 7.86 4.17 0.00 1.68 1.70 0.88 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 50 S 7.28 4.35 0.00 4.01 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 50 I 6.97 4.05 1.87 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 1.30 0.54 0.91 0.00 0.00 53 H 8.64 4.05 0.00 3.12 3.05 0.00 5.59 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.41 4.24 0.00 3.30 3.49 0.00 5.50 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 55 D 8.04 4.70 0.00 2.71 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 56 D 7.71 4.85 0.00 2.79 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 57 R 7.71 3.92 0.00 2.04 1.83 0.00 3.10 0.00 0.00 3.10 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 58 H 8.06 4.51 0.00 3.22 3.31 0.00 6.12 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *60 L 8.12 4.11 0.00 1.53 1.50 0.10 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 61 S 7.99 3.78 0.00 3.94 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 62 N 8.29 4.27 0.00 3.02 2.86 0.00 0.00 7.05 8.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.01 4.11 1.52 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 0.00 0.00 64 Y 8.11 4.05 0.00 3.14 2.96 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 0.00 0.00 0.00 65 S 7.82 4.04 0.00 3.90 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 66 K 7.91 4.06 0.00 2.04 1.79 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.74 7.81 67 L 7.94 4.14 0.00 1.71 1.69 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.04 2.54 0.00 1.24 1.80 0.00 3.09 0.00 0.00 3.03 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.53 0.00 69 E 7.34 4.56 0.00 2.16 1.99 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 2.35 2.33 0.00 70 A 7.19 4.17 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.54 4.53 0.00 1.85 1.84 0.00 1.93 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.88 7.81 72 H 8.95 5.18 0.00 3.12 3.17 0.00 5.63 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 S 8.62 5.04 0.00 3.87 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.32 4.89 0.00 1.73 1.53 1.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 75 T 8.50 4.93 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 76 L 9.12 4.98 0.00 1.84 1.82 1.09 0.90 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 77 V 8.76 5.50 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 1.10 0.00 0.00 0.96 0.00 0.00 78 Y 7.86 5.09 0.00 3.14 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 79 R 9.83 4.62 0.00 1.30 1.38 0.00 2.45 0.00 0.00 2.47 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 80 I 8.30 5.01 1.96 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.82 1.15 0.00 0.00 81 V 8.29 4.93 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 0.84 0.00 0.00 0.89 0.00 0.00 82 T 8.64 4.38 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 1.36 0.00 0.00 83 P 0.00 4.22 0.00 2.06 2.19 0.00 3.69 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 2.05 2.12 0.00 84 E 8.20 4.27 0.00 2.07 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 0.00 2.28 2.38 0.00 85 G 8.11 3.87 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 0.00 86 K 7.82 4.04 0.00 1.99 1.71 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.25 1.27 7.81 87 L 8.17 5.18 0.00 1.61 1.45 0.83 0.79 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 88 H 8.62 5.02 0.00 3.12 3.03 0.00 5.66 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 W 8.78 4.67 0.00 3.25 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 90 I 8.95 4.77 0.88 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.01 0.82 0.00 0.00 91 E 8.92 4.80 0.00 2.02 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 2.26 2.25 0.00 92 D 9.49 5.13 0.00 2.79 2.80 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 93 H 9.05 5.36 0.00 3.28 3.20 0.00 5.71 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *95 R 8.23 4.54 0.00 1.86 1.94 0.00 3.23 0.00 0.00 3.36 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 96 S 9.04 4.72 0.00 3.99 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 97 S 8.48 4.99 0.00 3.80 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 F 8.54 5.33 0.00 2.90 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 99 S 9.71 4.38 0.00 3.85 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 0.00 100 D 8.66 4.38 0.00 2.67 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 D 8.15 4.69 0.00 2.67 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 0.00 102 G 8.39 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 0.00 103 L 7.66 4.51 0.00 1.79 1.66 0.96 1.05 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 0.00 104 F 9.09 3.80 0.00 2.97 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 0.00 105 S 7.80 4.14 0.00 3.71 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 0.00 106 G 5.38 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 0.00 0.00 0.00 107 I 7.73 4.83 1.75 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.74 0.82 0.00 0.00 108 D 8.97 4.84 0.00 2.52 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 0.00 109 G 8.69 4.39 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 0.00 110 I 8.93 4.93 1.93 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 1.31 0.77 0.99 0.00 0.00 111 L 8.78 5.47 0.00 1.81 1.70 1.07 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 112 C 9.11 5.06 0.00 2.96 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 0.00 113 E 8.41 4.29 0.00 1.16 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 1.99 1.67 0.00 114 V 8.11 4.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.93 0.00 0.00 115 T 8.17 3.97 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 1.14 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.