NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4140 8.3049 120.3500 55.4927 32.4902 173.4670 2 K 4.1320 8.0952 121.1709 52.1444 33.4427 175.0760 3 T 4.7507 8.1316 124.1129 62.0294 70.8150 171.2110 4 Y 4.0037 8.6495 128.6430 57.8520 39.3970 175.3491 5 V 3.0034 7.9576 113.2571 61.5147 29.8858 171.2807 6 P 4.3527 0.0000 0.0000 62.2316 32.0355 176.3481 7 K 4.1052 8.6126 119.7992 56.1776 32.7589 176.6600 8 Q 3.7709 7.9502 123.0073 55.7964 26.9978 177.2197 9 V 4.1091 7.8733 122.4201 61.1338 32.9284 175.6199 10 E 4.1420 8.6236 124.9105 55.4251 29.4936 175.3975 11 P 4.4426 0.0000 0.0000 62.8133 32.2587 176.0184 12 R 4.5115 8.5054 121.2769 55.8559 31.8087 174.6167 13 W 5.1019 8.7921 122.9095 55.0213 31.8801 175.4567 14 V 4.5663 9.1308 122.6503 61.2177 35.4604 174.0133 15 L 5.5923 8.8008 127.9004 52.4366 44.3198 174.4508 16 I 4.6261 8.2382 126.6058 59.4176 40.1796 173.5034 17 D 5.2324 8.7018 127.2710 52.3521 43.5616 175.4899 18 A 4.6955 7.7269 125.1686 52.8104 19.7065 179.3376 19 E 3.7814 8.8086 120.7071 57.4202 30.2426 180.1023 20 G 4.3038 7.6311 104.3495 45.2979 0.0000 171.7340 21 K 4.6169 8.1356 122.0605 54.6367 33.8197 175.8699 22 T 4.3089 8.4954 123.8323 63.8212 69.4104 173.4318 23 L 3.9733 8.2187 127.1503 57.1267 41.2380 176.2911 24 G 4.4035 9.3456 116.5277 46.6796 0.0000 176.0199 25 R 4.0612 7.7321 118.2919 57.0606 30.5015 177.6711 26 L 4.3991 7.6119 118.9737 56.3944 42.8815 177.9744 27 A 3.9030 7.8887 120.2621 55.6323 17.9660 179.1188 28 T 3.7138 8.3603 111.8299 65.4192 67.1576 175.7263 29 K 4.1023 7.7870 119.3129 58.6860 32.5334 178.9726 30 I 3.6506 7.6294 120.0177 64.2217 36.9859 178.3842 31 A 3.9317 8.3087 121.9478 55.2957 17.1694 179.4706 32 T 3.7042 7.4199 113.4003 67.1093 68.7013 176.5340 33 L 3.9628 7.7393 120.3656 57.6650 41.4779 179.5731 34 L 3.8507 7.6264 118.7531 57.1011 41.5811 178.2243 35 R 4.5314 7.4129 116.0026 55.5877 30.8433 177.9743 36 G 4.1334 8.8898 109.4233 44.6627 0.0000 173.2816 37 K 4.1301 8.2998 123.1280 56.2574 33.4033 176.0330 38 H 4.8745 8.5846 111.3441 55.6250 29.5637 173.6670 39 R 4.6155 7.5615 117.3439 53.9179 31.5465 174.2885 40 P 4.7581 0.0000 0.0000 63.6224 31.1641 176.5607 41 D 4.6149 8.3673 118.2997 55.7669 41.4573 176.2406 42 W 4.5028 7.4810 128.2880 56.4435 30.2870 174.9853 43 T 4.1304 7.7534 122.6375 60.8196 71.0069 173.3086 44 P 3.1686 0.0000 0.0000 64.6012 31.6912 176.7039 45 N 4.6818 7.7512 114.5394 52.4598 37.6396 175.3861 46 V 3.9407 6.9469 117.3047 61.5139 33.2135 173.1177 47 A 3.5851 7.7543 126.1859 52.3238 14.5437 176.1195 48 M 4.6356 8.2365 119.2870 55.1502 33.3526 176.2180 49 G 4.4995 8.0962 106.8262 46.4934 0.0000 172.5106 50 D 5.2160 8.1509 118.4748 52.5001 43.9979 176.7585 51 F 3.8352 8.8457 119.7595 56.2527 39.9524 175.2300 52 V 4.4116 7.4990 125.3426 61.5294 33.4510 174.9184 53 V 4.6760 9.0332 128.7592 61.1804 32.9032 173.8174 54 V 5.1331 8.9270 128.1187 61.6235 32.6240 175.0669 55 V 4.8564 8.1675 125.6096 59.0387 35.4399 174.1095 56 N 4.2064 8.7841 115.9523 54.4987 37.6455 174.9614 57 A 4.3334 8.2735 123.0647 51.4961 18.9840 176.2688 58 D 3.8649 9.5774 112.0966 56.9493 40.7965 174.4036 59 K 3.9772 8.3863 117.9555 57.6212 29.9500 173.6030 60 I 4.4727 7.3379 118.1190 60.3082 38.4670 176.1566 61 R 4.4722 8.0823 124.0811 55.6349 32.4101 176.1031 62 V 4.4860 8.3353 114.3004 61.2090 31.9166 171.9021 63 T 3.7224 8.1439 119.4314 61.3960 69.8951 174.9305 64 G 3.9930 8.2216 109.2511 46.0289 0.0000 173.5502 65 K 4.4800 8.2230 118.5365 56.6755 32.7464 179.0904 66 K 4.0524 7.5582 120.7729 58.9604 32.5703 177.5600 67 L 4.5222 7.6923 120.6485 51.4595 40.2432 176.4106 68 E 5.9800 7.4805 130.9523 58.0975 28.4335 179.4436 69 Q 4.0140 7.5020 116.5656 57.9444 29.1977 176.1781 70 K 4.2062 7.9516 119.9280 56.2299 32.8332 175.8048 71 I 4.9148 8.3076 128.2699 59.7860 39.9131 175.1942 72 Y 5.0216 9.8263 124.1007 57.5178 40.4252 174.9986 73 T 5.3435 8.2719 116.6245 61.6483 72.3594 174.2497 74 R 4.5096 8.6635 126.5318 54.0817 31.6340 173.2397 75 Y 4.6534 8.5470 124.2464 57.7004 39.7294 175.2758 76 S 4.0049 9.4118 124.5273 57.8964 63.1910 177.5708 77 G 3.1654 7.5081 112.3788 48.2469 0.0000 173.7660 78 Y 4.0741 8.4413 121.9986 56.4778 38.4449 174.2344 79 P 4.3273 0.0000 0.0000 64.6432 31.6437 177.0283 80 G 3.9646 9.2046 110.5867 45.7887 0.0000 174.2868 81 G 3.9728 8.2727 110.1848 44.8656 0.0000 174.5876 82 L 4.9148 7.3888 119.3559 53.0672 43.7187 175.9815 83 K 4.2865 8.5315 123.9800 55.8017 33.6546 176.3122 84 K 4.6491 8.7058 123.5320 54.8377 33.2820 174.9662 85 I 4.5331 8.4410 126.2255 59.0055 39.6652 173.6171 86 P 4.2889 0.0000 0.0000 61.7399 33.3117 176.2756 87 L 3.4123 9.1567 124.7809 58.8310 41.6371 179.1427 88 E 3.7877 8.0040 115.7859 59.6852 29.8242 179.0650 89 K 3.9867 8.0119 117.3365 60.2111 32.2642 179.0407 90 M 4.2037 7.8084 118.0652 58.5280 31.5729 178.9231 91 L 4.0833 7.6532 118.1701 56.9696 42.0609 177.1275 92 A 4.4404 7.8211 120.7427 50.4637 19.0532 176.8271 93 T 4.3854 8.7145 124.5467 64.7380 70.2309 171.7114 94 H 4.5486 8.4701 126.9623 55.3142 26.4916 174.1394 95 P 4.9330 0.0000 0.0000 63.9206 32.0107 177.7700 96 E 4.2587 8.0258 116.7918 57.5708 30.0631 177.6634 97 R 4.1317 7.9418 119.5222 57.9791 30.0582 178.1376 98 V 3.8309 7.4220 117.6906 66.3805 31.6961 177.5360 99 L 3.9508 7.8229 119.4720 58.2366 41.9281 178.3125 100 E 4.0717 8.1444 117.6770 59.1237 29.3395 178.0975 101 H 4.2304 7.8428 117.1126 59.0703 30.0010 176.6344 102 A 4.0902 7.9382 122.5008 55.3878 18.0052 179.7665 103 V 3.4913 7.6730 116.0703 66.1555 31.5592 178.1369 104 K 3.4452 7.6328 116.5212 58.7143 31.8910 177.6056 105 G 4.0209 7.3358 103.6959 44.8935 0.0000 173.5391 106 M 4.8670 8.7119 120.3291 54.6930 33.3801 175.1232 107 L 4.8536 7.6270 117.0821 51.8970 45.1340 174.8609 108 P 4.4276 0.0000 0.0000 63.0937 31.7880 177.3302 109 K 4.2428 8.4158 118.3297 57.0533 32.5902 178.5024 110 G 3.9214 7.6264 106.0466 43.6130 0.0000 171.8595 111 P 4.3729 0.0000 0.0000 64.5622 31.1801 178.2905 112 L 4.2094 7.8223 119.5692 57.7883 42.2785 178.6292 113 G 4.3887 7.9770 106.1759 47.0786 0.0000 175.3760 114 R 4.1111 7.5137 118.7596 58.6030 30.6217 178.7193 115 R 4.1492 7.5179 117.1061 58.9574 30.2663 178.6459 116 L 3.8617 8.4971 119.1313 57.8108 41.6124 179.4334 117 F 4.0392 7.9858 120.5178 61.1958 39.1993 177.1966 118 K 3.9088 7.6818 115.8231 58.6827 30.8480 178.8889 119 R 3.4986 7.6468 118.7563 56.8898 29.9464 175.7060 120 L 4.5210 6.8296 121.0420 53.8966 43.3013 176.2483 121 K 4.3874 9.5009 126.5345 54.7557 34.4791 175.1514 122 V 4.7674 7.9729 125.1093 61.6796 33.5848 174.1022 123 Y 4.9336 8.5971 122.6588 56.6878 43.3804 173.5511 124 A 4.6616 8.6325 121.0107 51.0948 21.0378 174.9666 125 G 4.0564 8.7678 121.5039 46.3459 0.0000 174.9520 126 P 4.7692 0.0000 0.0000 59.7344 30.8483 176.4015 127 D 4.2686 9.0749 128.9909 53.9489 37.9153 171.8991 128 H 4.3298 8.3094 119.5344 52.5312 30.3296 173.0490 129 P 3.9820 0.0000 0.0000 65.9836 31.0914 175.7906 130 H 3.8420 7.4115 120.0368 55.9803 28.4436 174.7944 131 Q 4.4224 8.3184 123.0112 55.6671 29.5119 177.2263 132 A 3.9121 7.3742 120.8686 51.9343 16.7743 177.3124 133 Q 3.1687 7.4468 124.8731 54.9288 29.9329 173.5972 134 R 5.5676 8.1220 122.2002 55.2042 28.9391 171.5237 135 P 4.3524 0.0000 0.0000 63.3585 33.5276 174.1451 136 E 5.0958 8.6470 120.5220 54.6927 31.5710 174.9977 137 K 4.7106 8.5925 125.2364 54.6364 35.6768 175.5065 138 L 4.4507 8.3715 123.2441 53.7197 43.3316 177.5270 *139 E 4.1515 8.7466 118.8550 56.1178 30.3597 171.9589 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.41 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.56 0.00 2 K 8.10 4.13 0.00 1.89 1.75 0.00 2.00 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.45 7.81 3 T 8.13 4.75 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 1.22 0.00 0.00 4 Y 8.65 4.00 0.00 2.99 3.03 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 0.00 0.00 0.00 5 V 7.96 3.00 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 0.56 0.00 0.00 0.82 0.00 0.00 6 P 0.00 4.35 0.00 2.31 2.57 0.00 3.73 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 7 K 8.61 4.11 0.00 1.78 1.76 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.38 7.81 8 Q 7.95 3.77 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 9 V 7.87 4.11 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 0.86 0.00 0.00 1.10 0.00 0.00 10 E 8.62 4.14 0.00 2.02 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 2.35 2.40 0.00 11 P 0.00 4.44 0.00 2.49 2.26 0.00 3.84 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 2.15 0.00 12 R 8.51 4.51 0.00 2.00 2.05 0.00 3.19 0.00 0.00 3.40 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.77 0.00 13 W 8.79 5.10 0.00 3.19 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 14 V 9.13 4.57 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 0.82 0.00 0.00 1.01 0.00 0.00 15 L 8.80 5.59 0.00 1.79 1.94 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.24 4.63 1.88 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 1.24 1.27 0.92 0.00 0.00 17 D 8.70 5.23 0.00 2.73 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.73 4.70 1.29 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 0.00 0.00 19 E 8.81 3.78 0.00 2.14 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 2.33 2.38 0.00 20 G 7.63 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 0.00 0.00 0.00 0.00 21 K 8.14 4.62 0.00 1.88 1.68 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.41 7.81 22 T 8.50 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 1.22 0.00 0.00 23 L 8.22 3.97 0.00 1.66 1.69 0.98 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 24 G 9.35 4.40 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 0.00 25 R 7.73 4.06 0.00 1.80 2.00 0.00 3.19 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 26 L 7.61 4.40 0.00 1.80 1.76 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.89 3.90 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 28 T 8.36 3.71 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 29 K 7.79 4.10 0.00 1.94 1.80 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.63 1.45 7.81 30 I 7.63 3.65 2.01 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 1.43 0.95 0.87 0.00 0.00 31 A 8.31 3.93 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 T 7.42 3.70 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 1.10 0.00 0.00 33 L 7.74 3.96 0.00 1.91 1.60 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.63 3.85 0.00 1.88 1.64 0.79 0.89 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 35 R 7.41 4.53 0.00 1.77 2.14 0.00 3.13 0.00 0.00 3.05 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 36 G 8.89 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 0.00 0.00 0.00 37 K 8.30 4.13 0.00 1.66 1.58 0.00 0.61 0.00 0.00 0.67 0.00 0.00 2.42 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.98 0.96 7.81 38 H 8.58 4.87 0.00 3.25 3.29 0.00 5.53 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.56 4.62 0.00 2.10 1.92 0.00 3.07 0.00 0.00 3.54 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 40 P 0.00 4.76 0.00 2.18 2.18 0.00 3.73 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 1.94 1.95 0.00 41 D 8.37 4.61 0.00 2.77 2.92 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 42 W 7.48 4.50 0.00 3.42 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 43 T 7.75 4.13 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 1.14 0.00 0.00 44 P 0.00 3.17 0.00 2.03 1.94 0.00 3.33 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.80 0.00 45 N 7.75 4.68 0.00 2.77 2.85 0.00 0.00 5.82 7.68 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 46 V 6.95 3.94 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 0.63 0.00 0.00 0.88 0.00 0.00 47 A 7.75 3.59 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 48 M 8.24 4.64 0.00 1.96 2.16 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 49 G 8.10 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.15 5.22 0.00 2.50 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 51 F 8.85 3.84 0.00 1.51 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.50 4.41 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 0.87 0.00 0.00 0.83 0.00 0.00 53 V 9.03 4.68 2.37 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 1.07 0.00 0.00 1.28 0.00 0.00 54 V 8.93 5.13 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 0.68 0.00 0.00 0.93 0.00 0.00 55 V 8.17 4.86 2.18 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 0.81 0.00 0.00 1.04 0.00 0.00 56 N 8.78 4.21 0.00 2.85 3.06 0.00 0.00 6.91 7.96 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 57 A 8.27 4.33 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 58 D 9.58 3.86 0.00 2.93 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 59 K 8.39 3.98 0.00 1.94 2.02 0.00 1.67 0.00 0.00 1.96 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.46 7.81 60 I 7.34 4.47 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.52 1.00 0.00 0.00 61 R 8.08 4.47 0.00 1.82 1.85 0.00 3.17 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 62 V 8.34 4.49 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 0.64 0.00 0.00 0.94 0.00 0.00 63 T 8.14 3.72 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 64 G 8.22 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 0.00 0.00 0.00 65 K 8.22 4.48 0.00 1.86 1.80 0.00 1.56 0.00 0.00 1.81 0.00 0.00 3.17 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.50 7.81 66 K 7.56 4.05 0.00 1.70 1.85 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.50 7.81 67 L 7.69 4.52 0.00 1.61 1.61 0.91 0.87 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 68 E 7.48 5.98 0.00 2.04 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 2.42 1.97 0.00 69 Q 7.50 4.01 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 70 K 7.95 4.21 0.00 1.88 1.90 0.00 1.56 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.41 1.39 7.81 71 I 8.31 4.91 1.88 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 1.29 0.91 1.01 0.00 0.00 72 Y 9.83 5.02 0.00 2.91 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 73 T 8.27 5.34 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 1.27 0.00 0.00 74 R 8.66 4.51 0.00 1.77 1.87 0.00 3.13 0.00 0.00 3.28 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 75 Y 8.55 4.65 0.00 2.92 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 76 S 9.41 4.00 0.00 3.82 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 77 G 7.51 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 0.00 0.00 0.00 78 Y 8.44 4.07 0.00 2.95 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 79 P 0.00 4.33 0.00 2.11 2.10 0.00 3.89 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 80 G 9.20 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 0.00 0.00 0.00 81 G 8.27 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 0.00 0.00 0.00 82 L 7.39 4.91 0.00 1.71 1.64 0.99 0.72 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 83 K 8.53 4.29 0.00 1.83 1.74 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.58 7.81 84 K 8.71 4.65 0.00 1.61 1.75 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.46 7.81 85 I 8.44 4.53 1.91 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 1.32 0.97 0.90 0.00 0.00 86 P 0.00 4.29 0.00 2.02 2.10 0.00 3.68 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 1.96 1.91 0.00 87 L 9.16 3.41 0.00 1.66 1.64 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.00 3.79 0.00 1.92 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 2.29 2.43 0.00 89 K 8.01 3.99 0.00 1.93 1.85 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.47 7.81 90 M 7.81 4.20 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.78 0.00 91 L 7.65 4.08 0.00 1.82 1.73 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.82 4.44 1.29 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 0.00 0.00 93 T 8.71 4.39 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 1.24 0.00 0.00 94 H 8.47 4.55 0.00 3.39 3.30 0.00 5.95 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 95 P 0.00 4.93 0.00 2.25 2.53 0.00 3.88 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.93 0.00 96 E 8.03 4.26 0.00 2.11 2.25 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 2.30 2.18 0.00 97 R 7.94 4.13 0.00 1.99 2.26 0.00 3.18 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 98 V 7.42 3.83 2.32 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 1.07 0.00 0.00 1.10 0.00 0.00 99 L 7.82 3.95 0.00 1.76 1.68 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.14 4.07 0.00 2.21 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 0.00 2.68 2.32 0.00 101 H 7.84 4.23 0.00 3.48 3.29 0.00 5.67 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 0.00 102 A 7.94 4.09 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 0.00 103 V 7.67 3.49 2.19 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 1.03 0.00 0.00 1.00 0.00 0.00 104 K 7.63 3.45 0.00 1.20 1.71 0.00 1.22 0.00 0.00 1.29 0.00 0.00 2.73 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.12 0.74 7.81 105 G 7.34 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 0.00 106 M 8.71 4.87 0.00 1.87 2.12 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 2.51 2.45 0.00 107 L 7.63 4.85 0.00 1.59 1.55 1.02 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.43 0.00 2.21 2.01 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.16 0.00 109 K 8.42 4.24 0.00 1.70 1.83 0.00 1.61 0.00 0.00 1.67 0.00 0.00 3.28 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.44 7.81 110 G 7.63 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 0.00 0.00 0.00 111 P 0.00 4.37 0.00 2.16 2.11 0.00 3.58 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 2.11 2.13 0.00 112 L 7.82 4.21 0.00 1.75 1.66 0.91 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 113 G 7.98 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 0.00 114 R 7.51 4.11 0.00 1.83 2.02 0.00 3.16 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 115 R 7.52 4.15 0.00 2.10 1.94 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 116 L 8.50 3.86 0.00 1.64 1.69 0.97 1.06 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 0.00 117 F 7.99 4.04 0.00 3.15 3.24 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 0.00 118 K 7.68 3.91 0.00 1.90 1.84 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.84 7.81 119 R 7.65 3.50 0.00 1.60 1.08 0.00 2.21 0.00 0.00 2.29 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.34 0.00 120 L 6.83 4.52 0.00 1.43 1.33 0.67 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 121 K 9.50 4.39 0.00 1.86 2.00 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.71 1.48 7.81 122 V 7.97 4.77 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 0.78 0.00 0.00 0.85 0.00 0.00 123 Y 8.60 4.93 0.00 3.11 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 0.00 124 A 8.63 4.66 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 0.00 125 G 8.77 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 0.00 0.00 0.00 126 P 0.00 4.77 0.00 2.24 1.24 0.00 3.91 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 127 D 9.07 4.27 0.00 2.80 2.71 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 0.00 128 H 8.31 4.33 0.00 3.27 3.27 0.00 5.54 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 3.98 0.00 1.97 2.01 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.71 0.00 130 H 7.41 3.84 0.00 2.80 3.05 0.00 5.86 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.32 4.42 0.00 1.89 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.64 0.00 0.00 0.00 0.00 0.00 2.18 2.31 0.00 132 A 7.37 3.91 0.64 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 0.00 133 Q 7.45 3.17 0.00 2.09 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.51 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 134 R 8.12 5.57 0.00 1.98 2.06 0.00 3.33 0.00 0.00 3.24 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.47 0.00 135 P 0.00 4.35 0.00 2.15 2.13 0.00 3.92 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.18 0.00 136 E 8.65 5.10 0.00 1.95 1.82 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 2.19 2.26 0.00 137 K 8.59 4.71 0.00 1.69 1.71 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.41 7.81 138 L 8.37 4.45 0.00 1.60 1.58 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 *139 E 8.75 4.15 0.00 1.73 1.76 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.