NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.0664 8.0393 114.0550 60.9005 32.9882 174.7911 4 R 3.8674 8.3689 120.1379 55.1170 29.9947 174.8300 5 A 4.0109 9.2358 126.2267 52.1647 20.4849 177.6611 6 T 4.3569 8.7336 118.5796 62.4364 70.2845 173.4561 7 Y 4.9324 8.5853 124.6903 56.9510 39.6514 175.1750 8 T 4.6429 9.4346 121.9798 61.7094 71.0376 173.7459 9 V 4.1292 8.5387 127.7272 62.9341 31.6086 175.6212 10 I 4.3320 8.8522 130.2255 63.5279 37.9961 176.4339 11 F 4.9134 7.4129 113.9573 55.7970 40.6680 173.0162 12 K 4.4710 8.4814 120.6845 55.9114 32.1054 176.0541 13 N 5.2682 8.5697 116.4076 52.2243 40.7884 173.9755 14 A 4.7139 8.9790 126.7569 50.5517 20.7419 176.6356 15 S 4.5482 7.9966 115.4073 57.3637 63.9542 173.7177 16 G 2.8867 6.3695 107.7015 45.0159 0.0000 173.0058 17 L 4.0249 8.2826 118.8456 54.0953 42.2552 175.8412 18 P 4.4378 0.0000 0.0000 62.2662 32.0253 175.8925 19 N 4.5357 8.6147 119.1885 54.8031 39.1359 175.6790 20 G 3.9415 9.1264 109.5461 45.7887 0.0000 172.0081 21 Y 5.0219 7.8209 115.5089 55.9574 41.5720 174.1937 22 D 5.1173 9.0161 121.3895 52.5089 45.4809 173.7685 23 N 5.4413 8.9556 118.7471 51.6015 40.5326 173.4581 24 W 5.0190 9.5601 126.3850 56.8677 30.1020 177.9787 25 G 4.4612 9.1732 110.8109 45.2827 0.0000 173.0147 26 W 4.8428 8.0451 114.1438 56.3177 30.5552 174.2135 27 G 3.9163 9.0570 104.8354 46.5896 0.0000 172.6391 28 C 5.1507 7.7526 114.3176 57.9131 32.5055 173.3781 29 T 4.6010 8.6866 117.8216 61.8322 70.8515 173.2854 30 L 5.0279 8.4234 125.5328 52.9791 43.7585 175.6793 31 S 4.7393 8.1956 117.0506 56.6107 66.6451 172.7217 32 Y 5.3000 8.1058 116.0607 55.5620 41.1799 174.6440 33 Y 4.6632 9.1064 121.7628 57.9497 41.6049 174.0538 34 G 3.7578 8.6670 112.4585 46.3542 0.0000 174.8297 35 G 4.0562 8.4407 105.4406 46.0390 0.0000 173.8761 36 A 5.3070 7.6417 124.8633 51.2531 17.9350 178.8922 *38 I 3.8510 8.1869 120.1607 63.0946 38.7909 174.0097 39 I 4.2335 8.4994 129.5457 59.9485 38.9124 174.6176 40 N 5.0238 8.8503 126.9755 51.0259 39.7537 171.3439 41 P 4.7357 0.0000 0.0000 61.8572 33.4545 174.9785 42 Q 4.3787 9.3601 125.9753 54.8795 30.5000 174.9168 43 E 4.0917 8.6458 127.2768 57.7688 30.0445 177.0185 44 G 3.7616 9.1331 114.6207 45.5136 0.0000 173.7887 45 K 4.4756 7.5327 116.7925 55.5146 33.2500 175.6382 46 Y 3.8915 7.6336 115.2701 58.1625 35.8294 171.2275 47 G 3.5225 7.9674 104.3885 46.8713 0.0000 173.1273 48 A 4.8992 6.9802 121.9738 49.7236 23.1633 175.2327 49 V 4.3232 8.3373 120.8648 62.0718 33.4389 174.9277 50 S 5.2857 8.9392 122.3154 55.5068 64.2069 171.7759 51 L 4.8576 9.5869 128.0041 54.0963 42.7085 175.7630 52 K 4.7488 8.8416 126.5038 54.3586 34.1882 174.9677 53 R 3.3075 8.7037 129.3528 55.6271 29.9291 176.1004 54 N 4.5065 8.3895 124.9948 55.8253 39.0943 175.8114 55 S 4.3326 7.4042 110.6165 57.4680 66.0406 174.6766 56 G 3.7158 9.6818 110.7789 45.4229 0.0000 172.2183 57 S 4.4292 7.5851 112.0089 57.3661 66.9539 174.3869 58 F 4.5552 8.2988 121.3413 56.0354 41.6483 174.9857 59 R 4.5652 7.9752 119.7904 55.4108 32.1208 175.6577 60 G 3.7550 10.2875 116.8024 47.7084 0.0000 172.2047 61 G 4.1713 9.1150 108.3368 46.1837 0.0000 171.8413 62 S 5.2029 8.6715 115.1536 56.8840 67.2276 173.5120 63 L 5.2611 9.0300 121.5558 53.0797 44.5113 175.3193 64 R 5.3291 9.4446 124.6197 53.7517 32.7344 174.4419 65 F 5.8427 7.6995 118.2125 57.2644 41.3723 172.8031 66 D 5.7409 9.5095 120.9689 52.1749 43.6508 175.4730 *68 K 4.4265 8.2712 117.9527 57.3021 34.3739 174.5079 69 N 5.4880 8.5226 116.5850 52.5120 40.2504 175.1131 70 E 4.2766 9.3522 121.9706 58.1673 30.5291 175.9422 71 G 4.6080 7.6896 104.3193 42.6972 0.0000 172.2949 72 K 4.5268 8.6288 118.3603 56.6372 33.4165 176.6856 73 V 4.8337 8.7708 123.5373 60.9813 34.7884 174.0390 74 K 4.6156 8.8957 129.8062 55.7580 33.7396 175.1402 75 I 4.6333 9.0602 129.1856 60.0285 38.9938 174.9379 76 L 5.1676 8.4576 125.6678 53.0292 46.5457 175.6588 77 V 4.8182 8.2650 112.3775 59.7377 35.7085 174.9442 78 E 5.0250 9.1084 121.2676 54.7064 34.3607 174.4851 79 N 5.2241 9.1255 121.8474 52.1915 39.4619 175.7036 80 S 4.3912 9.5507 123.1030 60.7365 63.7645 176.3945 81 E 3.9655 8.4201 121.1084 58.5075 29.5369 176.8411 82 A 4.3014 8.3612 119.2150 51.4504 19.7821 175.9415 83 D 4.4259 7.5275 114.0830 55.4060 40.2230 172.8983 84 E 4.9960 8.4720 119.7144 54.3166 33.4042 175.2454 85 K 5.0314 8.7079 124.2285 55.0650 36.3987 175.1639 86 F 4.4209 8.4966 123.1651 56.2495 42.5316 173.0987 87 E 4.1337 8.0199 127.8253 56.2210 29.4122 176.1886 88 V 4.0537 8.7496 128.1682 65.1349 32.4869 175.6344 89 E 4.7890 7.5147 117.3636 55.9197 32.8001 174.5477 90 T 4.9637 8.5996 121.0841 61.9640 70.7150 173.8089 91 I 4.4158 8.8261 127.3096 59.4830 39.5859 175.8630 92 S 4.7255 8.6726 122.6172 57.3785 63.8723 172.2806 93 P 4.6140 0.0000 0.0000 63.5190 32.0154 176.0487 94 S 4.6361 8.8521 116.6331 57.6080 65.7728 174.5212 95 D 4.5017 8.8849 125.4567 54.7876 41.4449 176.0132 96 E 4.5922 7.1732 116.5159 53.8605 32.5599 175.1987 97 Y 4.1910 8.3622 118.6913 58.3115 38.4967 175.7000 98 V 4.3340 8.5286 123.2306 61.2814 34.8386 174.0809 99 T 4.5847 8.0759 123.4503 62.7816 69.6295 173.6191 100 Y 4.5497 8.4851 124.3244 56.0002 41.1569 174.8928 101 I 4.6952 8.1611 122.9531 59.4605 40.2361 174.7427 102 L 4.8382 8.7257 127.2476 52.5554 45.0334 176.1021 103 D 4.8283 8.9298 123.6175 54.5398 41.5867 176.2475 104 V 4.2597 8.9004 123.5447 61.5893 32.5033 175.7084 105 D 4.6254 8.7774 127.2574 54.3811 41.4477 177.0818 106 F 3.4575 7.1865 121.5837 58.7566 39.3522 174.2982 107 D 4.5054 8.0692 125.0609 53.0194 39.9858 175.8875 108 L 4.3440 5.6200 119.2570 52.1965 43.8695 174.0100 109 P 4.8034 0.0000 0.0000 62.6936 32.3743 175.9988 110 F 5.4222 9.1429 116.5286 55.3911 41.1635 174.6828 111 D 5.0023 9.1754 120.1017 53.1319 40.9389 175.5430 112 R 5.3767 8.1835 117.9627 54.8171 34.7507 173.8787 113 I 4.8937 9.0587 123.4799 59.5917 40.3309 174.2820 114 D 5.3770 8.8924 126.3735 52.3851 44.6873 175.2697 115 F 4.9476 9.1530 120.5666 55.9451 42.2231 173.5952 116 Q 4.8420 9.0148 126.2302 54.0749 31.5971 174.6090 117 D 4.9862 9.1003 126.5158 54.0377 40.0912 176.2935 118 A 4.1298 8.5068 125.7427 54.4620 18.2317 177.3841 119 P 4.2913 0.0000 0.0000 63.8332 31.7531 177.6141 120 G 3.3360 8.0660 106.1823 46.2309 0.0000 174.5240 121 N 4.4709 8.1769 115.3076 52.8632 39.1411 176.0726 122 G 4.0312 8.2893 106.6447 44.9162 0.0000 173.3730 123 D 4.5163 7.7980 119.3770 54.1531 42.0413 176.2997 124 R 4.3483 8.8236 121.6853 56.0397 31.7526 175.5546 125 I 5.1529 8.0127 121.4332 59.3638 41.1159 174.4261 126 W 5.1087 9.6473 126.4944 55.0034 31.2970 175.2081 127 I 5.2274 8.4908 123.9924 59.8359 41.1220 174.4155 128 K 4.7844 8.8784 123.2159 55.3112 37.1576 175.2652 129 N 4.0310 8.0060 116.5627 54.2064 36.1628 174.4814 130 L 4.8124 6.8211 120.7362 54.3327 43.9178 176.3148 131 V 4.9986 9.2553 126.0520 61.5435 35.4395 173.1803 132 H 5.3512 9.4265 127.4764 54.6384 32.0558 173.2159 133 S 4.9869 8.8108 119.9620 56.3813 64.8191 174.8972 134 T 3.9075 8.4082 116.2272 64.0056 69.5421 174.5664 135 G 3.9170 7.8359 112.1315 43.8098 0.0000 172.9431 136 S 4.9485 8.2090 113.6338 57.1463 64.7328 175.1704 137 A 4.0784 9.4001 122.7601 55.5116 17.7466 179.5737 138 D 4.4169 7.5308 115.9054 57.2607 40.9824 177.9612 139 D 4.8806 7.4744 115.7108 52.8853 41.3408 176.3323 140 F 4.0742 7.7272 123.2589 58.5127 39.4725 174.7592 141 V 4.0045 8.5094 129.6957 60.7404 31.0460 174.4367 142 D 4.3068 8.6270 129.8908 54.6002 41.0659 175.2198 *143 P 4.2729 0.0000 0.0000 61.7788 32.6937 173.1182 144 I 3.9086 8.3085 120.2922 64.6236 37.2284 177.2352 145 N 4.4104 7.9705 115.9649 55.4989 38.4258 175.9427 146 L 3.8631 7.1023 120.7119 55.0591 38.9729 177.4682 *147 E 4.2822 7.9420 119.8815 56.3007 31.8622 175.4347 148 H 4.5617 8.4121 117.2839 55.7834 28.9323 174.8916 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 3 V 8.04 4.07 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 0.90 0.00 0.00 0.91 0.00 0.00 4 R 8.37 3.87 0.00 2.01 1.95 0.00 3.05 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 5 A 9.24 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.73 4.36 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 1.25 0.00 0.00 7 Y 8.59 4.93 0.00 2.83 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 8 T 9.43 4.64 4.54 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 1.57 0.00 0.00 9 V 8.54 4.13 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 0.80 0.00 0.00 0.98 0.00 0.00 10 I 8.85 4.33 1.88 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 1.46 0.73 0.35 0.00 0.00 11 F 7.41 4.91 0.00 3.19 3.09 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 12 K 8.48 4.47 0.00 1.88 1.67 0.00 1.93 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.43 7.81 13 N 8.57 5.27 0.00 2.78 2.76 0.00 0.00 6.59 7.54 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 14 A 8.98 4.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.00 4.55 0.00 3.89 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 6.37 2.89 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 0.00 0.00 0.00 17 L 8.28 4.02 0.00 1.66 1.68 1.05 1.08 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 18 P 0.00 4.44 0.00 2.20 2.29 0.00 3.64 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.93 0.00 19 N 8.61 4.54 0.00 2.79 2.81 0.00 0.00 7.02 7.65 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 20 G 9.13 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 21 Y 7.82 5.02 0.00 3.03 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 22 D 9.02 5.12 0.00 2.76 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.96 5.44 0.00 2.84 2.83 0.00 0.00 6.85 7.95 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 24 W 9.56 5.02 0.00 3.21 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 25 G 9.17 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 W 8.05 4.84 0.00 3.55 3.36 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 27 G 9.06 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 28 C 7.75 5.15 0.00 2.68 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 29 T 8.69 4.60 4.16 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 1.12 0.00 0.00 30 L 8.42 5.03 0.00 1.42 1.29 0.83 0.81 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 31 S 8.20 4.74 0.00 3.77 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 32 Y 8.11 5.30 0.00 2.86 3.09 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 33 Y 9.11 4.66 0.00 3.04 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 34 G 8.67 3.76 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 0.00 0.00 0.00 35 G 8.44 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 36 A 7.64 5.31 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *38 I 8.19 3.85 1.63 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.99 0.17 0.00 0.00 39 I 8.50 4.23 1.65 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 0.92 0.61 0.74 0.00 0.00 40 N 8.85 5.02 0.00 2.56 2.63 0.00 0.00 6.82 7.26 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 41 P 0.00 4.74 0.00 2.15 1.80 0.00 3.65 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 2.16 1.94 0.00 42 Q 9.36 4.38 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.98 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 43 E 8.65 4.09 0.00 1.90 1.79 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 2.22 2.23 0.00 44 G 9.13 3.76 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 0.00 0.00 0.00 45 K 7.53 4.48 0.00 1.91 2.04 0.00 1.99 0.00 0.00 1.77 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.56 7.81 46 Y 7.63 3.89 0.00 3.30 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 47 G 7.97 3.52 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 0.00 48 A 6.98 4.90 0.32 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 49 V 8.34 4.32 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 1.17 0.00 0.00 0.87 0.00 0.00 50 S 8.94 5.29 0.00 4.11 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 51 L 9.59 4.86 0.00 1.94 1.87 1.16 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.84 4.75 0.00 1.26 1.01 0.00 1.06 0.00 0.00 0.61 0.00 0.00 2.41 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.62 7.81 53 R 8.70 3.31 0.00 1.62 1.53 0.00 2.70 0.00 0.00 2.79 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.93 0.00 54 N 8.39 4.51 0.00 2.49 2.77 0.00 0.00 6.83 7.09 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 55 S 7.40 4.33 0.00 3.82 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 56 G 9.68 3.72 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 0.00 0.00 0.00 57 S 7.59 4.43 0.00 3.55 3.54 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 58 F 8.30 4.56 0.00 1.51 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 0.00 0.00 0.00 59 R 7.98 4.57 0.00 1.71 1.76 0.00 3.56 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 60 G 10.29 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 9.12 4.17 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 62 S 8.67 5.20 0.00 3.94 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 63 L 9.03 5.26 0.00 1.71 1.82 0.89 1.03 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 64 R 9.44 5.33 0.00 0.77 1.74 0.00 3.47 0.00 0.00 3.48 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.00 0.00 65 F 7.70 5.84 0.00 3.16 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 66 D 9.51 5.74 0.00 2.66 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 *68 K 8.27 4.43 0.00 1.67 1.52 0.00 0.67 0.00 0.00 1.03 0.00 0.00 2.16 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.60 7.81 69 N 8.52 5.49 0.00 2.96 3.03 0.00 0.00 7.15 7.71 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 70 E 9.35 4.28 0.00 2.00 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 2.44 2.57 0.00 71 G 7.69 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 0.00 0.00 0.00 0.00 72 K 8.63 4.53 0.00 1.75 1.76 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.55 1.46 7.81 73 V 8.77 4.83 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 1.05 0.00 0.00 1.02 0.00 0.00 74 K 8.90 4.62 0.00 1.88 1.64 0.00 1.81 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 1.36 7.81 75 I 9.06 4.63 1.82 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.83 0.71 0.00 0.00 76 L 8.46 5.17 0.00 1.49 1.54 0.85 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.27 4.82 1.46 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 -0.00 0.00 0.00 0.41 0.00 0.00 78 E 9.11 5.02 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 79 N 9.13 5.22 0.00 3.32 2.98 0.00 0.00 7.12 7.39 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 80 S 9.55 4.39 0.00 4.24 4.27 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 81 E 8.42 3.97 0.00 1.99 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 2.32 2.34 0.00 82 A 8.36 4.30 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 83 D 7.53 4.43 0.00 2.83 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 84 E 8.47 5.00 0.00 2.25 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 2.55 2.55 0.00 85 K 8.71 5.03 0.00 1.68 1.72 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.35 7.81 86 F 8.50 4.42 0.00 1.84 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.02 4.13 0.00 1.78 1.49 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 2.12 2.17 0.00 88 V 8.75 4.05 2.16 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 0.83 0.00 0.00 0.94 0.00 0.00 89 E 7.51 4.79 0.00 2.07 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.21 0.00 90 T 8.60 4.96 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 1.20 0.00 0.00 91 I 8.83 4.42 1.79 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.62 0.71 0.00 0.00 92 S 8.67 4.73 0.00 3.80 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.61 0.00 1.95 2.17 0.00 3.71 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 94 S 8.85 4.64 0.00 3.93 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 95 D 8.88 4.50 0.00 2.62 2.57 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 96 E 7.17 4.59 0.00 1.93 1.79 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 2.15 2.33 0.00 97 Y 8.36 4.19 0.00 2.87 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 98 V 8.53 4.33 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 0.17 0.00 0.00 0.87 0.00 0.00 99 T 8.08 4.58 4.05 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 1.04 0.00 0.00 100 Y 8.49 4.55 0.00 1.74 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 I 8.16 4.70 1.67 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.28 0.41 0.00 0.00 102 L 8.73 4.84 0.00 1.59 1.55 1.01 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.93 4.83 0.00 2.61 2.65 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 0.00 104 V 8.90 4.26 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 0.77 0.00 0.00 0.89 0.00 0.00 105 D 8.78 4.63 0.00 2.89 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 0.00 106 F 7.19 3.46 0.00 1.75 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 0.00 107 D 8.07 4.51 0.00 2.67 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 0.00 108 L 5.62 4.34 0.00 0.82 1.40 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.80 0.00 1.90 1.91 0.00 3.56 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 110 F 9.14 5.42 0.00 3.27 3.38 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 0.00 111 D 9.18 5.00 0.00 2.63 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 0.00 112 R 8.18 5.38 0.00 1.84 1.89 0.00 3.20 0.00 0.00 3.47 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 113 I 9.06 4.89 1.96 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.35 0.58 0.00 0.00 114 D 8.89 5.38 0.00 2.35 2.43 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 0.00 115 F 9.15 4.95 0.00 2.80 2.81 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 0.00 116 Q 9.01 4.84 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.02 0.00 0.00 0.00 0.00 0.00 2.31 2.55 0.00 117 D 9.10 4.99 0.00 2.74 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.51 4.13 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 0.00 119 P 0.00 4.29 0.00 2.07 2.17 0.00 4.00 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 2.05 2.12 0.00 120 G 8.07 3.34 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 0.00 121 N 8.18 4.47 0.00 2.69 2.83 0.00 0.00 7.25 7.65 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 0.00 122 G 8.29 4.03 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 0.00 0.00 0.00 123 D 7.80 4.52 0.00 2.61 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 0.00 124 R 8.82 4.35 0.00 1.43 0.66 0.00 2.90 0.00 0.00 2.77 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.40 0.00 125 I 8.01 5.15 1.72 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 1.21 0.94 0.87 0.00 0.00 126 W 9.65 5.11 0.00 3.10 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 0.00 127 I 8.49 5.23 1.89 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.08 0.74 0.00 0.00 128 K 8.88 4.78 0.00 1.61 1.60 0.00 1.68 0.00 0.00 0.95 0.00 0.00 2.43 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.60 1.57 7.81 129 N 8.01 4.03 0.00 2.89 2.82 0.00 0.00 6.87 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 L 6.82 4.81 0.00 1.35 0.79 1.18 1.00 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 0.00 131 V 9.26 5.00 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 1.18 0.00 0.00 1.00 0.00 0.00 132 H 9.43 5.35 0.00 2.69 2.72 0.00 5.58 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.81 4.99 0.00 3.42 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 0.00 134 T 8.41 3.91 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 1.23 0.00 0.00 135 G 7.84 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 0.00 136 S 8.21 4.95 0.00 4.19 4.05 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 0.00 137 A 9.40 4.08 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 0.00 138 D 7.53 4.42 0.00 2.74 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 0.00 139 D 7.47 4.88 0.00 2.71 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 0.00 140 F 7.73 4.07 0.00 3.31 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 0.00 141 V 8.51 4.00 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 0.71 0.00 0.00 0.96 0.00 0.00 142 D 8.63 4.31 0.00 2.99 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.27 0.00 1.74 1.57 0.00 3.61 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.51 0.00 144 I 8.31 3.91 2.03 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 1.39 0.92 0.87 0.00 0.00 145 N 7.97 4.41 0.00 2.88 2.87 0.00 0.00 7.13 8.12 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 0.00 146 L 7.10 3.86 0.00 1.74 1.55 0.80 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 *147 E 7.94 4.28 0.00 1.75 1.78 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 2.19 2.37 0.00 148 H 8.41 4.56 0.00 3.25 3.28 0.00 5.53 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.