NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4384 8.3349 116.7945 58.0179 64.2960 173.0707 -1 N 3.9082 8.7358 121.6611 52.7694 39.0656 173.5364 0 A 3.9816 8.3510 125.3242 54.7546 19.8239 178.3645 0 S 4.1316 8.4210 117.2242 60.5546 64.5238 175.1646 3 R 3.9169 8.3299 122.7362 59.6663 29.8334 178.8432 4 A 4.3954 8.3368 119.6680 55.7049 18.3829 179.5090 5 K 4.0044 8.1695 117.1053 59.4382 32.2339 179.0696 6 K 3.9402 7.8869 118.4332 59.3092 32.1249 179.1781 7 W 4.2563 8.5603 119.6446 59.7560 28.8811 178.8339 8 V 3.8611 8.5261 118.7474 66.1399 31.0491 177.9262 9 Q 4.0361 8.2203 119.2831 59.2267 28.3843 177.5449 10 Y 4.3129 8.3670 120.7552 60.6204 38.8470 177.6813 11 F 4.0115 8.9235 121.9317 61.5685 39.4884 177.2192 12 L 3.5822 8.3703 119.0550 57.3421 41.2633 179.5611 13 S 4.0022 8.1333 114.2389 60.9450 62.6651 175.8124 14 H 4.3234 7.3000 118.8219 57.6834 29.2539 177.2394 15 R 3.7955 7.5806 119.4170 59.4274 29.7302 177.8748 16 H 4.3366 7.8424 115.7640 58.8057 28.9282 177.5481 17 V 3.7808 7.6447 119.5171 66.0874 31.4232 178.5272 18 T 3.9486 7.5003 112.1293 64.3289 68.3171 175.4940 *20 E 4.2616 8.1030 123.6556 56.3069 31.6206 177.8471 21 L 3.9319 7.9111 118.6108 57.8539 41.5448 179.5954 22 I 3.6354 7.7305 119.6837 64.6402 36.7708 178.1836 23 H 4.3297 7.5516 114.6312 58.1281 28.5783 177.0887 24 K 4.3773 7.6319 118.3459 56.1876 32.1825 176.7706 25 I 4.2540 7.2509 121.4739 59.5674 37.1321 175.3015 26 D 4.7298 8.3864 125.3956 52.1916 40.8680 177.1739 27 E 2.5400 8.5545 119.2220 59.3760 28.9490 179.6474 28 A 4.0001 7.8387 119.1881 54.4428 18.6285 178.1174 29 H 4.9186 8.3496 113.0994 55.9215 29.2376 175.8965 30 Y 4.4697 7.9000 121.4114 60.6656 37.4302 177.5264 31 D 4.9311 7.8378 115.7295 52.9103 40.1372 175.6382 32 Y 4.2001 8.2765 122.1558 58.1528 39.3064 175.2721 33 K 4.3133 7.0993 124.4081 53.8699 35.8767 174.8279 34 P 4.0185 0.0000 0.0000 64.7372 31.8649 176.3990 35 T 4.6780 7.0976 106.0053 58.7528 71.8601 172.9349 36 P 4.2293 0.0000 0.0000 65.0965 31.4371 177.6037 37 T 4.5726 7.5354 105.8507 61.5012 69.9789 174.6788 38 S 4.8055 7.1791 123.1326 58.8876 61.2831 177.2606 *40 T 4.4507 8.3345 120.0872 62.1849 70.5480 173.6782 41 A 4.0790 8.7847 124.0129 55.6310 18.4193 180.2778 42 K 3.6328 8.4831 118.2642 59.5676 32.1374 179.0972 43 Q 3.9319 8.2318 118.4921 58.6782 28.3752 178.5675 44 L 3.7627 7.9125 120.3879 58.1392 42.2445 178.6050 45 A 3.9636 7.6528 119.3022 55.2595 18.4830 179.5278 46 T 3.4229 7.6766 114.2248 66.6333 68.3658 177.1074 47 H 4.2604 7.9712 117.8131 56.9725 30.1887 176.6134 *49 L 4.3646 7.8488 120.0447 54.5111 43.6613 179.3406 50 F 4.6708 8.1570 117.4790 60.5444 38.8564 177.9670 51 S 4.1967 8.5026 114.2750 61.6565 62.6353 176.4152 52 F 4.1411 8.5033 124.0642 60.9743 39.2814 175.9860 53 Y 4.3418 8.4948 119.0197 61.1665 38.4764 178.1555 54 N 4.3034 8.6648 117.1465 56.1930 38.5143 177.2723 55 F 4.2623 8.4321 118.9471 60.6804 39.0523 177.6071 56 A 3.9844 8.3981 120.3483 55.0903 18.3168 178.9243 57 N 4.0062 8.3673 115.8915 57.3397 38.4312 177.1631 58 T 4.0043 8.2891 116.8894 66.4813 68.6179 176.6184 59 A 3.9377 8.3947 123.0367 55.0130 18.2452 179.5426 60 K 3.7019 8.2556 117.1069 59.4837 32.3210 177.8015 61 H 4.7943 7.8046 112.7271 54.2597 28.8966 174.9703 62 G 3.8696 7.3796 107.5806 46.1185 0.0000 173.2139 63 D 4.7122 7.6030 118.7436 51.1941 42.0118 174.7530 64 P 4.2200 0.0000 0.0000 65.2477 31.6863 179.3230 65 S 4.1875 8.2006 112.6258 61.0849 63.2318 175.7039 66 L 4.0756 7.7860 121.1707 57.3439 41.7171 179.0821 67 F 4.1814 7.9650 119.8164 60.3183 39.2323 176.2267 68 R 4.2619 7.7214 116.0126 55.5574 30.2363 175.7025 69 Q 3.9268 7.6188 120.4016 55.8305 29.1924 176.0969 70 K 3.9729 8.5366 127.2028 56.3433 32.8255 175.7316 71 I 3.9623 8.0483 127.2190 59.8587 37.8203 174.5525 72 E 4.4198 8.5169 126.7199 54.1772 30.4976 174.5152 73 E 4.6331 8.3985 126.4411 54.0368 32.2928 173.4391 74 P 4.4943 0.0000 0.0000 63.6674 32.1670 176.7442 75 E 3.9976 8.3412 119.3319 59.3945 29.5378 177.3270 76 T 3.7783 8.2611 116.9906 64.4264 66.8868 172.4372 77 N 4.6561 7.8443 122.1603 53.0319 39.5033 174.7429 78 L 3.7794 8.6685 129.0295 58.1444 41.8740 179.3372 79 A 3.8783 8.1163 119.6339 55.2247 18.1967 179.5061 80 K 3.8975 9.0997 118.1314 59.5447 32.3813 178.4770 81 L 4.0059 8.0316 120.5016 58.3523 41.8481 178.8423 82 A 3.9868 8.4755 120.5262 55.4528 18.3965 179.5526 83 E 3.9915 8.2924 117.0001 59.6643 29.4924 179.7095 84 T 3.8411 8.2025 115.9267 67.1521 68.5801 176.3734 85 Y 3.8990 8.4370 118.0999 60.8134 37.7990 178.4939 86 T 4.1074 8.2746 117.3991 66.5049 68.5600 176.3472 87 E 3.9903 8.2776 121.3096 59.1614 29.7080 179.0051 88 K 3.9922 8.1101 118.5059 59.8341 32.2623 179.4731 89 T 3.9455 8.3228 116.1776 66.6076 68.3360 176.5928 90 R 3.8978 8.3586 120.8985 59.7121 29.8761 178.6434 91 Q 4.0231 7.9714 116.5967 58.6904 28.8575 178.1428 92 L 4.1074 7.9878 120.0593 58.1012 41.5144 179.7885 93 I 3.7100 7.3390 117.6336 64.3662 37.1502 178.0052 94 E 4.2382 8.3269 119.2184 57.9372 30.7626 178.1064 95 S 4.4327 7.3817 116.3286 56.0406 60.6208 172.6989 *97 S 4.3543 7.3449 121.9212 58.7957 64.2839 174.6212 98 D 4.9140 8.4744 119.0800 57.1668 41.0408 178.8828 99 D 4.2806 8.1694 118.9424 57.0622 40.8263 178.0176 100 D 4.2740 7.7639 118.7491 57.3766 40.3103 178.4531 101 F 4.3333 7.8095 116.5132 59.1779 38.6760 176.1309 102 D 4.8299 8.0617 117.6504 53.3337 42.3512 176.7032 103 R 3.9370 7.3103 120.8212 56.6962 30.6688 175.2528 104 T 4.5143 8.2454 120.9835 62.4524 69.7305 174.0500 105 L 4.3745 8.1191 125.5503 52.8709 43.4052 175.3662 106 D 4.7938 8.4190 123.7534 53.4566 40.1897 174.9781 107 L 4.7660 8.0793 125.1859 54.5343 42.7393 179.2011 108 T 3.8959 7.8920 117.5584 66.7908 68.4028 176.5284 109 A 4.0006 8.0629 122.2805 54.3624 18.6469 177.2186 110 I 4.1656 7.6458 112.9102 62.7905 39.1943 176.5839 111 F 4.5604 8.7932 115.3622 56.3085 39.4090 175.9164 112 G 4.4402 7.8392 108.2055 46.0666 0.0000 173.5293 113 T 4.0514 7.1766 109.6039 61.5928 70.0711 171.8150 114 Q 4.6576 8.7233 125.2515 54.0132 30.7419 175.7232 *116 S 4.3817 8.0545 113.0992 58.5983 65.2899 174.8822 117 T 3.8705 8.4763 119.8796 66.7355 68.0640 177.0121 118 A 4.0327 7.8451 121.8015 55.3154 18.4176 179.6564 119 Q 4.0260 8.2399 116.6672 59.0104 28.7526 178.9464 120 F 4.1067 8.3541 121.6788 61.3824 39.2618 177.3148 121 L 3.5848 7.8683 117.5356 57.4528 41.2838 178.9619 122 Q 4.4680 8.0733 119.2447 59.0534 29.3302 177.5157 123 L 3.9947 8.0990 121.5272 57.8373 41.9065 179.4200 124 A 2.5800 6.5368 117.3107 52.3242 17.7074 178.7319 *126 D 4.4943 8.0881 122.7770 56.1890 43.3127 177.7935 127 H 4.1914 8.1666 118.3054 59.0634 29.7552 176.7990 128 E 4.0002 8.4342 121.3667 59.5976 29.5216 178.8906 129 I 3.7543 7.7434 119.1917 64.5031 36.9586 177.6425 130 H 4.1045 8.5115 119.3065 59.8951 29.6606 177.1396 131 H 4.2488 8.2541 117.7761 58.4630 28.4961 177.7189 132 K 4.0590 8.6526 122.2947 59.2542 32.1096 179.0789 133 G 3.7116 8.2098 106.2333 47.9564 0.0000 175.7165 134 Q 4.1920 7.8377 120.5592 58.6136 28.6563 178.4924 135 L 3.7042 8.0961 121.5489 58.1708 42.0349 178.9790 136 F 3.9382 8.3949 117.7379 60.5573 38.8685 177.8595 137 V 3.7224 7.6590 116.8247 66.1835 31.1569 177.3246 138 Y 4.2542 8.3168 115.3994 61.5084 37.9866 178.6774 139 V 3.6753 8.2297 118.9297 66.2359 31.3934 178.2859 140 R 4.6939 7.3405 118.0111 58.4218 30.0207 180.2546 141 G 4.3850 7.2850 106.7650 43.8831 0.0000 174.5722 *143 G 3.8204 8.0526 108.8301 44.6216 0.0000 173.5752 144 H 4.4736 7.7819 118.9527 55.8493 29.2667 176.0569 145 T 4.4737 8.5099 119.1716 63.4325 70.7145 174.2602 146 D 4.6945 7.9666 120.8359 51.6832 38.3810 174.9263 147 L 4.7960 7.8395 125.8673 52.5169 44.2517 175.1271 148 P 4.5368 0.0000 0.0000 62.0730 32.3760 176.4843 149 L 4.2429 8.4172 120.3286 54.8348 42.0502 178.7458 150 F 4.6176 9.0316 117.1740 59.0947 37.9676 175.7992 151 V 4.2622 6.4661 118.7227 59.4809 34.0753 175.4497 152 K 4.0685 8.6871 121.5116 56.7726 31.9060 176.7979 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 8.33 4.44 0.00 3.88 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 -1 N 8.74 3.91 0.00 2.79 2.78 0.00 0.00 7.03 6.46 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 A 8.35 3.98 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 0 S 8.42 4.13 0.00 3.62 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 3 R 8.33 3.92 0.00 1.96 1.36 0.00 2.90 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 4 A 8.34 4.40 1.64 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 0.00 0.00 5 K 8.17 4.00 0.00 1.94 1.86 0.00 1.75 0.00 0.00 1.85 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.59 7.81 6 K 7.89 3.94 0.00 1.87 1.60 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.59 7.81 7 W 8.56 4.26 0.00 3.61 3.40 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 8 V 8.53 3.86 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1.14 0.00 0.00 9 Q 8.22 4.04 0.00 2.24 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 10 Y 8.37 4.31 0.00 2.99 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.92 4.01 0.00 3.19 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.37 3.58 0.00 1.67 1.35 0.97 0.50 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 13 S 8.13 4.00 0.00 4.15 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 H 7.30 4.32 0.00 2.98 3.25 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.58 3.80 0.00 0.67 0.96 0.00 3.24 0.00 0.00 3.06 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.40 0.00 16 H 7.84 4.34 0.00 3.15 3.26 0.00 5.71 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 17 V 7.64 3.78 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 1.02 0.00 0.00 18 T 7.50 3.95 4.33 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 1.13 0.00 0.00 *20 E 8.10 4.26 0.00 2.13 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 2.24 2.32 0.00 21 L 7.91 3.93 0.00 1.71 1.45 0.08 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.73 3.64 1.72 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.68 0.76 0.00 0.00 23 H 7.55 4.33 0.00 3.30 3.34 0.00 5.84 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.63 4.38 0.00 1.69 1.38 0.00 1.54 0.00 0.00 1.52 0.00 0.00 3.17 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.57 7.81 25 I 7.25 4.25 2.04 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 1.34 0.68 1.09 0.00 0.00 26 D 8.39 4.73 0.00 2.78 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 27 E 8.55 2.54 0.00 1.71 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 28 A 7.84 4.00 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 29 H 8.35 4.92 0.00 3.37 3.36 0.00 5.84 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Y 7.90 4.47 0.00 3.14 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 31 D 7.84 4.93 0.00 2.83 2.82 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 32 Y 8.28 4.20 0.00 3.16 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 33 K 7.10 4.31 0.00 1.48 1.52 0.00 2.02 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.27 1.42 7.81 34 P 0.00 4.02 0.00 1.84 1.95 0.00 3.14 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.00 0.00 35 T 7.10 4.68 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 1.16 0.00 0.00 36 P 0.00 4.23 0.00 2.03 2.12 0.00 3.61 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 37 T 7.54 4.57 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 1.20 0.00 0.00 38 S 7.18 4.81 0.00 3.97 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *40 T 8.33 4.45 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 1.25 0.00 0.00 41 A 8.78 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.48 3.63 0.00 1.66 1.73 0.00 1.39 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.24 1.02 7.81 43 Q 8.23 3.93 0.00 2.38 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 44 L 7.91 3.76 0.00 1.46 1.60 0.71 0.47 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 45 A 7.65 3.96 1.16 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 0.00 0.00 46 T 7.68 3.42 4.18 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 0.62 0.00 0.00 47 H 7.97 4.26 0.00 3.21 3.44 0.00 5.81 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *49 L 7.85 4.36 0.00 1.42 1.68 0.72 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.16 4.67 0.00 2.98 2.93 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 51 S 8.50 4.20 0.00 4.23 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 F 8.50 4.14 0.00 3.35 3.25 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 53 Y 8.49 4.34 0.00 3.57 3.50 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 54 N 8.66 4.30 0.00 2.75 2.62 0.00 0.00 7.05 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 8.43 4.26 0.00 2.93 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 56 A 8.40 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.37 4.01 0.00 2.32 2.79 0.00 0.00 7.28 7.19 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 58 T 8.29 4.00 4.73 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 1.03 0.00 0.00 59 A 8.39 3.94 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.26 3.70 0.00 1.72 1.71 0.00 1.35 0.00 0.00 1.37 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.61 7.81 61 H 7.80 4.79 0.00 3.14 3.26 0.00 6.05 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 7.38 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 63 D 7.60 4.71 0.00 2.77 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 64 P 0.00 4.22 0.00 2.15 1.98 0.00 3.58 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 2.02 1.91 0.00 65 S 8.20 4.19 0.00 3.99 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 66 L 7.79 4.08 0.00 1.80 1.78 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 67 F 7.96 4.18 0.00 2.98 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 68 R 7.72 4.26 0.00 1.81 1.83 0.00 3.21 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.68 0.00 69 Q 7.62 3.93 0.00 2.03 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 70 K 8.54 3.97 0.00 1.72 1.66 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.42 7.81 71 I 8.05 3.96 1.04 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.58 0.03 0.00 0.00 72 E 8.52 4.42 0.00 1.85 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 2.24 0.00 73 E 8.40 4.63 0.00 1.78 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 2.37 2.55 0.00 74 P 0.00 4.49 0.00 2.11 2.10 0.00 3.81 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 75 E 8.34 4.00 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 76 T 8.26 3.78 4.29 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 1.30 0.00 0.00 77 N 7.84 4.66 0.00 2.83 2.95 0.00 0.00 7.07 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 78 L 8.67 3.78 0.00 1.58 1.58 0.54 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.12 3.88 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 K 9.10 3.90 0.00 1.83 1.98 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.48 7.81 81 L 8.03 4.01 0.00 1.94 1.80 1.03 0.67 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 82 A 8.48 3.99 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 83 E 8.29 3.99 0.00 2.09 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 2.43 2.48 0.00 84 T 8.20 3.84 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 85 Y 8.44 3.90 0.00 3.23 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 86 T 8.27 4.11 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 87 E 8.28 3.99 0.00 2.22 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 0.00 2.33 2.41 0.00 88 K 8.11 3.99 0.00 1.88 1.98 0.00 0.77 0.00 0.00 0.68 0.00 0.00 2.72 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.34 1.40 7.81 89 T 8.32 3.95 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 0.74 0.00 0.00 90 R 8.36 3.90 0.00 2.19 2.16 0.00 3.18 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.85 0.00 91 Q 7.97 4.02 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 92 L 7.99 4.11 0.00 1.83 1.65 0.73 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 93 I 7.34 3.71 1.87 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.48 1.11 0.00 0.00 94 E 8.33 4.24 0.00 2.23 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 2.40 0.00 95 S 7.38 4.43 0.00 4.00 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 *97 S 7.34 4.35 0.00 4.06 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 98 D 8.47 4.91 0.00 2.91 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 99 D 8.17 4.28 0.00 2.79 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 0.00 100 D 7.76 4.27 0.00 2.54 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 0.00 0.00 0.00 0.00 101 F 7.81 4.33 0.00 3.42 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 D 8.06 4.83 0.00 2.81 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 0.00 103 R 7.31 3.94 0.00 1.93 1.71 0.00 2.99 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 104 T 8.25 4.51 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 0.00 105 L 8.12 4.37 0.00 1.37 1.20 0.25 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 106 D 8.42 4.79 0.00 2.58 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.08 4.77 0.00 1.97 1.85 0.45 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 108 T 7.89 3.90 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 0.00 109 A 8.06 4.00 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 0.00 110 I 7.65 4.17 1.82 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 1.37 0.68 0.35 0.00 0.00 111 F 8.79 4.56 0.00 2.94 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 0.00 112 G 7.84 4.44 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 0.00 113 T 7.18 4.05 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 1.35 0.00 0.00 114 Q 8.72 4.66 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.36 0.00 0.00 0.00 0.00 0.00 2.38 2.28 0.00 *116 S 8.05 4.38 0.00 4.11 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.48 3.87 4.18 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 1.06 0.00 0.00 118 A 7.85 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 119 Q 8.24 4.03 0.00 2.34 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 120 F 8.35 4.11 0.00 3.06 3.13 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 0.00 121 L 7.87 3.58 0.00 0.93 0.76 0.40 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 0.00 122 Q 8.07 4.47 0.00 2.46 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.95 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 123 L 8.10 3.99 0.00 1.62 1.54 0.90 1.15 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 0.00 124 A 6.54 2.58 -0.28 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 *126 D 8.09 4.49 0.00 2.87 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 0.00 127 H 8.17 4.19 0.00 3.25 3.34 0.00 5.61 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.43 4.00 0.00 2.49 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 0.00 2.34 2.45 0.00 129 I 7.74 3.75 1.90 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.27 1.03 0.00 0.00 130 H 8.51 4.10 0.00 3.26 3.53 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 H 8.25 4.25 0.00 3.20 3.24 0.00 5.68 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 0.00 132 K 8.65 4.06 0.00 1.87 2.13 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.25 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.84 1.64 7.81 133 G 8.21 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 0.00 134 Q 7.84 4.19 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.71 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 135 L 8.10 3.70 0.00 1.74 1.74 0.69 1.13 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 0.00 136 F 8.39 3.94 0.00 3.47 3.12 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 0.00 0.00 0.00 137 V 7.66 3.72 2.41 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 1.13 0.00 0.00 1.04 0.00 0.00 138 Y 8.32 4.25 0.00 3.11 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 0.00 139 V 8.23 3.68 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 0.95 0.00 0.00 0.85 0.00 0.00 140 R 7.34 4.69 0.00 1.92 2.02 0.00 3.30 0.00 0.00 3.16 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.89 0.00 141 G 7.28 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *143 G 8.05 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 0.00 0.00 0.00 144 H 7.78 4.47 0.00 3.29 3.22 0.00 5.76 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 0.00 145 T 8.51 4.47 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 1.23 0.00 0.00 146 D 7.97 4.69 0.00 2.78 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 0.00 147 L 7.84 4.80 0.00 1.86 1.88 1.11 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 148 P 0.00 4.54 0.00 2.16 2.13 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.29 0.00 149 L 8.42 4.24 0.00 1.76 1.71 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 150 F 9.03 4.62 0.00 3.04 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 V 6.47 4.26 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 -0.04 0.00 0.00 0.62 0.00 0.00 152 K 8.69 4.07 0.00 1.82 1.71 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.34 7.81 * Residues marked with a * may have inaccurate shift predictions.