NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 P 4.3614 0.0000 0.0000 62.7005 32.7328 174.5690 9 S 4.3811 7.6157 113.9497 58.0049 66.0120 174.4225 10 D 4.7777 9.3182 118.9575 53.8711 43.4337 175.1878 11 M 4.3596 7.7867 117.2634 54.5352 33.2233 174.0821 12 P 4.6746 0.0000 0.0000 62.7706 32.8414 175.7882 13 V 4.8914 8.4401 119.4802 61.2339 35.0527 172.0687 14 A 4.8316 8.8139 123.0500 51.2501 23.1943 175.6329 15 H 4.9081 8.7820 120.0969 55.5303 31.1960 173.0062 16 V 4.6008 8.2166 116.9605 60.7436 33.9156 175.5544 17 V 5.3789 8.8577 113.9767 59.4991 36.4763 175.0967 18 A 4.4867 8.6371 123.8144 51.6959 19.4635 176.4540 19 N 4.5593 7.9354 116.6661 51.4459 40.3625 172.2636 20 P 3.4553 0.0000 0.0000 65.6003 31.7367 178.1924 21 Q 4.0482 7.8251 115.0323 57.6568 29.0816 176.6525 22 A 4.3189 7.7417 121.6502 51.9705 18.3302 175.0507 23 E 4.6418 7.6006 123.9868 57.9049 29.1396 177.5905 24 G 4.9334 7.6530 122.4452 46.3326 0.0000 169.9866 25 Q 4.5139 7.5780 117.0019 53.2201 32.1915 175.3160 26 L 4.1200 8.0735 120.8282 53.8859 41.2148 174.2004 27 Q 4.5397 7.8269 126.9460 53.7688 31.3302 173.9972 28 W 5.1872 9.5212 127.1998 56.1902 30.3041 175.8311 29 L 5.0682 9.4791 124.0982 52.7603 45.1060 176.6762 30 N 5.0949 8.6413 116.8379 52.4825 38.0597 174.7102 31 R 4.3012 7.8493 117.4739 55.9669 31.6991 179.0198 32 R 4.3241 8.2566 114.8194 55.9502 29.0503 177.6962 33 A 4.5203 8.4711 130.1218 52.3408 19.4640 176.7925 34 N 4.5396 8.4516 117.0632 53.3340 39.9895 173.6569 35 A 4.9946 7.9204 120.4503 50.6153 22.2665 175.1461 36 L 4.7552 8.4722 117.4803 52.7240 46.6576 176.0888 37 L 5.6523 8.0520 124.2917 55.3663 43.2191 171.9984 38 A 4.4527 8.5197 126.5511 51.5269 22.7704 175.3456 39 N 4.4344 9.7155 111.5442 54.8595 35.6748 174.8789 40 G 4.1170 8.4290 107.5869 45.6500 0.0000 174.6512 41 V 4.3460 7.3083 118.6372 62.4975 32.1200 175.2117 42 E 4.7937 8.7152 125.3999 54.5162 34.4725 174.2507 43 L 5.0917 8.5298 123.3359 53.7180 43.4075 175.7748 44 R 4.5848 8.5104 125.6544 55.4744 33.2804 175.7594 45 D 4.4399 9.2877 121.9064 55.9137 38.1614 172.7980 46 N 4.4081 8.5035 111.0206 54.4936 37.8536 173.0274 47 Q 4.9066 7.7432 112.7065 54.0415 34.0681 174.4930 48 L 4.8416 9.0779 122.2180 54.1006 43.9129 175.9731 49 V 4.8016 8.3855 122.4047 61.0260 34.1065 175.2784 50 V 3.6205 8.1829 121.3558 61.1021 31.9167 174.5421 51 P 4.4621 0.0000 0.0000 62.9091 32.0545 177.7395 52 S 4.7094 7.5997 114.9212 56.6473 66.0955 172.6754 53 E 4.4625 8.7911 121.1006 55.2058 30.3319 176.4066 54 G 4.0741 8.0256 111.1833 46.6262 0.0000 170.3929 55 L 5.2299 7.8341 119.3485 54.1526 43.4452 175.9493 56 Y 5.1770 9.8160 120.9185 56.1380 42.6650 173.9448 57 L 5.1858 9.0572 124.4009 53.6806 44.3841 175.0461 58 I 4.9801 9.3681 127.6693 59.6790 40.0946 174.3438 59 Y 5.3361 8.1212 123.9456 55.8783 42.0932 173.7858 60 S 5.0225 8.1932 111.5556 58.0044 66.7438 174.5227 61 Q 4.9868 8.1719 125.5603 54.6920 32.9230 173.9449 62 V 4.6455 8.5752 116.5041 59.5529 36.6790 173.6739 63 L 4.9726 7.7808 122.1246 53.3097 44.7720 175.0801 64 F 5.4801 8.9077 124.5407 56.0992 41.8790 174.6839 65 S 4.0346 8.6211 116.0267 56.4084 65.4721 173.2900 66 G 2.9104 6.1729 111.5905 44.3250 0.0000 171.8301 67 Q 4.2496 8.3950 121.3771 53.2154 27.4344 173.7020 68 G 4.1308 8.7465 111.2142 45.7340 0.0000 170.5627 69 C 4.5553 8.5028 120.4979 55.8138 41.1039 172.0653 70 P 4.3843 0.0000 0.0000 65.0562 30.5682 176.9852 71 S 4.5215 6.8277 110.3573 57.1397 67.0379 173.3930 72 T 4.3430 7.3049 124.7747 61.6339 69.9438 173.1844 73 H 4.6349 7.7907 119.0621 55.5882 27.6128 175.3776 74 V 4.3856 7.1434 117.6292 60.8310 34.5665 174.1609 75 L 4.8613 8.3212 125.6959 52.9986 45.0393 175.5687 76 L 4.6221 9.0969 124.5519 53.2807 43.8930 175.7832 77 T 5.1989 8.9947 112.7423 60.2989 72.7936 172.2255 78 H 5.5917 9.0749 122.5880 55.0646 33.5179 172.1735 79 T 5.0760 8.9337 120.3902 62.1396 73.6750 173.1750 80 I 5.3008 8.9950 125.2878 58.9540 39.6066 175.0437 81 S 5.0795 8.3726 123.1190 57.2480 65.5051 173.3899 82 R 4.6835 8.5051 122.0316 55.1118 33.5306 175.4012 83 I 4.5115 7.8448 121.8780 60.6799 40.5317 175.1449 84 T 5.2504 8.2992 116.9426 59.5795 70.0483 173.3782 85 P 4.3385 0.0000 0.0000 65.5602 32.4673 178.0094 86 A 3.8740 8.3260 117.0575 54.6519 17.3049 178.3847 87 I 3.9233 8.5536 122.0688 59.9298 38.0391 175.8353 88 N 4.8570 8.5396 127.3789 54.3664 39.1217 174.4936 89 R 4.7905 7.5467 114.4057 53.2362 33.5394 174.6544 90 P 4.9860 0.0000 0.0000 62.9098 32.6926 176.4777 91 V 4.1052 8.0631 118.7849 62.1970 33.6315 172.0929 92 N 4.4537 8.9316 126.1504 54.3581 38.2803 174.6281 93 L 4.6620 8.7658 122.8891 55.6185 44.6259 177.3846 94 L 4.7594 7.5263 118.2495 53.3456 45.7716 175.4059 95 S 5.2090 8.7087 117.3376 56.9789 66.0106 172.5539 96 A 4.8615 8.7488 125.4660 50.9579 22.8433 175.1134 97 I 5.2234 8.2156 118.7797 60.0131 41.6695 175.0907 98 R 4.7346 8.9813 122.0687 54.9617 35.0462 174.6309 99 S 4.7046 8.4195 117.2113 55.8659 63.4972 171.8161 100 P 4.1140 0.0000 0.0000 65.2887 31.3214 178.1055 101 C 4.4822 7.4620 114.5159 55.9263 41.2905 173.0873 102 Q 4.0188 8.4527 121.9202 57.1460 30.7379 176.0156 *111 A 4.2178 7.5723 117.6552 51.7357 18.4076 176.8158 112 N 4.4048 7.8475 119.1038 52.2827 40.1958 175.2435 113 P 4.9453 0.0000 0.0000 62.6593 32.8382 175.2731 114 W 5.2521 8.1510 116.1900 56.0318 31.7619 173.7506 115 Y 5.2561 8.8646 118.3580 56.8919 41.0666 174.7396 116 E 4.8804 9.7374 125.3985 53.9826 32.0574 174.1800 117 P 5.1869 0.0000 0.0000 62.3804 33.5476 175.6741 118 I 4.7982 8.6325 120.6047 60.1640 41.6167 173.5253 119 Y 5.2041 8.9007 127.4718 55.7276 41.7576 174.4440 120 L 4.9093 8.3448 125.6063 52.9667 45.4791 175.7930 121 G 4.6862 8.5332 109.3909 44.8421 0.0000 171.8602 122 G 4.4013 8.5989 108.4497 45.8618 0.0000 172.0080 123 V 5.1718 8.3980 120.6692 61.1548 33.2747 174.9389 124 F 4.9395 9.7834 125.5020 55.7662 43.9026 173.5199 125 Q 4.8488 8.9102 123.0376 55.6610 29.5783 174.7771 126 L 4.8707 9.7318 127.5502 53.0193 45.2564 175.3513 127 E 5.0216 9.3813 122.1968 53.6489 31.8946 174.0534 128 P 4.5094 0.0000 0.0000 64.0062 31.3966 176.5587 129 G 3.9908 8.4120 110.6111 44.9104 0.0000 173.4984 130 D 4.7217 7.8681 119.7619 54.4543 42.6602 175.6152 131 R 5.0034 8.4705 119.2981 54.6070 33.2837 174.6499 132 L 5.2350 9.0211 124.7370 53.1783 44.8773 175.7869 133 S 4.9623 8.5590 115.1587 57.0107 67.2475 172.6580 134 A 4.7513 8.1256 121.3111 50.3007 20.9852 175.2046 135 E 4.9882 9.1261 121.6202 54.7301 33.7799 175.3035 136 I 5.7747 8.3360 113.7174 58.1868 40.1014 175.2034 137 N 4.4340 8.6033 122.8830 55.0756 38.0920 175.6527 138 R 4.4807 7.7675 118.7668 53.2992 30.0477 174.3411 139 P 4.5760 0.0000 0.0000 63.4715 31.0919 177.9563 140 D 4.4312 7.8806 120.5297 55.8903 41.4572 176.7468 141 Y 4.6322 7.3193 114.5717 57.3662 40.1321 174.0154 142 L 3.7000 8.1370 121.5635 55.6735 42.5422 176.3787 143 D 4.3104 9.2938 129.1727 52.4016 40.7904 175.5589 144 F 4.9395 6.8963 121.0725 56.2558 38.6381 177.5202 145 A 4.1841 8.3259 127.3337 55.2983 18.2677 178.3867 146 E 4.6982 7.9324 113.0836 54.5346 32.3575 174.8532 147 S 4.5690 8.4389 114.5185 58.7045 63.3281 174.2212 148 G 4.1673 9.0937 115.3787 45.4676 0.0000 174.2780 149 Q 4.1824 8.1212 118.5423 57.9636 29.4631 175.4014 150 V 4.8473 7.9158 117.2544 61.4633 34.5106 173.7338 151 Y 5.7650 8.5710 125.5651 56.1293 42.5918 173.7893 152 F 5.0603 8.8752 121.0525 57.1908 42.9994 173.1956 153 G 3.8741 8.2452 112.7357 45.0873 0.0000 170.9767 154 I 5.5452 8.2343 112.1666 60.1348 41.4685 173.6271 155 I 4.9723 8.2053 121.3262 59.6829 41.6544 173.0575 156 A 3.9385 8.1922 130.6504 50.8435 19.3851 177.4359 157 L 4.2131 8.1487 122.2513 54.8778 41.5126 176.8381 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 8 P 0.00 4.36 0.00 2.05 2.06 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.11 0.00 9 S 7.62 4.38 0.00 3.86 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 10 D 9.32 4.78 0.00 2.56 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 11 M 7.79 4.36 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.46 0.00 12 P 0.00 4.67 0.00 2.15 2.11 0.00 3.79 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.07 0.00 13 V 8.44 4.89 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 0.58 0.00 0.00 1.00 0.00 0.00 14 A 8.81 4.83 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 H 8.78 4.91 0.00 3.31 3.26 0.00 5.78 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 16 V 8.22 4.60 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 0.58 0.00 0.00 0.88 0.00 0.00 17 V 8.86 5.38 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.05 0.00 0.00 18 A 8.64 4.49 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 19 N 7.94 4.56 0.00 2.65 2.43 0.00 0.00 6.95 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 3.46 0.00 1.96 2.06 0.00 3.56 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 21 Q 7.83 4.05 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.24 0.00 0.00 0.00 0.00 0.00 2.37 2.26 0.00 22 A 7.74 4.32 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 23 E 7.60 4.64 0.00 2.02 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 2.46 2.53 0.00 24 G 7.65 4.93 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 0.00 0.00 0.00 25 Q 7.58 4.51 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.90 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 26 L 8.07 4.12 0.00 1.41 1.27 0.70 -0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 7.83 4.54 0.00 2.02 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 28 W 9.52 5.19 0.00 3.29 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 29 L 9.48 5.07 0.00 1.59 1.55 0.92 0.29 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 30 N 8.64 5.09 0.00 2.80 2.88 0.00 0.00 6.12 7.66 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 31 R 7.85 4.30 0.00 1.84 1.93 0.00 3.40 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 32 R 8.26 4.32 0.00 1.81 1.70 0.00 3.20 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 33 A 8.47 4.52 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 34 N 8.45 4.54 0.00 2.75 2.85 0.00 0.00 6.08 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 35 A 7.92 4.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.47 4.76 0.00 1.62 1.54 0.93 0.37 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 37 L 8.05 5.65 0.00 1.64 1.58 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.52 4.45 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 39 N 9.72 4.43 0.00 2.97 2.89 0.00 0.00 7.06 7.86 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 40 G 8.43 4.12 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 0.00 0.00 0.00 41 V 7.31 4.35 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 1.18 0.00 0.00 1.02 0.00 0.00 42 E 8.72 4.79 0.00 1.90 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 2.28 2.27 0.00 43 L 8.53 5.09 0.00 1.63 1.60 1.11 1.03 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 44 R 8.51 4.58 0.00 1.88 1.77 0.00 3.33 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 45 D 9.29 4.44 0.00 2.85 2.77 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 46 N 8.50 4.41 0.00 2.86 2.93 0.00 0.00 7.01 7.08 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 47 Q 7.74 4.91 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.47 6.69 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 48 L 9.08 4.84 0.00 1.43 1.40 -0.31 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.39 4.80 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 0.98 0.00 0.00 0.92 0.00 0.00 50 V 8.18 3.62 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 0.17 0.00 0.00 0.88 0.00 0.00 51 P 0.00 4.46 0.00 2.24 1.98 0.00 3.77 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.21 0.00 52 S 7.60 4.71 0.00 3.91 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 53 E 8.79 4.46 0.00 2.04 1.92 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 2.34 2.56 0.00 54 G 8.03 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 0.00 0.00 0.00 55 L 7.83 5.23 0.00 1.62 1.63 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 9.82 5.18 0.00 2.84 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 57 L 9.06 5.19 0.00 1.84 1.65 1.14 0.99 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 58 I 9.37 4.98 1.89 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.66 0.88 0.00 0.00 59 Y 8.12 5.34 0.00 2.99 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.19 5.02 0.00 4.06 3.63 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 61 Q 8.17 4.99 0.00 1.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.51 0.00 0.00 0.00 0.00 0.00 2.16 2.53 0.00 62 V 8.58 4.65 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.51 0.00 0.00 63 L 7.78 4.97 0.00 1.92 1.46 0.99 1.17 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 F 8.91 5.48 0.00 3.56 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 65 S 8.62 4.03 0.00 3.52 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 66 G 6.17 2.91 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 0.00 0.00 0.00 67 Q 8.39 4.25 0.00 1.88 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.49 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 68 G 8.75 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 69 C 8.50 4.56 0.00 2.93 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 70 P 0.00 4.38 0.00 2.05 2.14 0.00 3.60 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 71 S 6.83 4.52 0.00 4.01 3.78 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 72 T 7.30 4.34 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 1.03 0.00 0.00 73 H 7.79 4.63 0.00 3.16 3.25 0.00 5.84 0.00 0.00 0.00 0.00 8.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.14 4.39 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.87 0.00 0.00 75 L 8.32 4.86 0.00 1.45 1.45 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 76 L 9.10 4.62 0.00 1.33 0.86 -0.05 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.99 5.20 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 1.20 0.00 0.00 78 H 9.07 5.59 0.00 3.36 3.20 0.00 5.57 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.93 5.08 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 1.29 0.00 0.00 80 I 9.00 5.30 1.74 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 0.97 0.07 0.84 0.00 0.00 81 S 8.37 5.08 0.00 3.72 3.79 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 82 R 8.51 4.68 0.00 1.72 1.68 0.00 3.06 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.49 0.00 83 I 7.84 4.51 1.85 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 1.26 1.11 0.90 0.00 0.00 84 T 8.30 5.25 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 1.23 0.00 0.00 85 P 0.00 4.34 0.00 2.05 2.15 0.00 3.68 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 86 A 8.33 3.87 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 I 8.55 3.92 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 0.58 0.91 0.00 0.00 88 N 8.54 4.86 0.00 2.65 2.79 0.00 0.00 7.06 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 89 R 7.55 4.79 0.00 1.69 1.78 0.00 3.43 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 90 P 0.00 4.99 0.00 1.92 2.00 0.00 3.76 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.92 0.00 91 V 8.06 4.11 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 0.98 0.00 0.00 1.00 0.00 0.00 92 N 8.93 4.45 0.00 2.65 2.77 0.00 0.00 6.98 7.85 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 93 L 8.77 4.66 0.00 1.35 0.90 0.46 0.56 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 94 L 7.53 4.76 0.00 1.48 1.53 0.92 1.00 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 95 S 8.71 5.21 0.00 3.81 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 96 A 8.75 4.86 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 97 I 8.22 5.22 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 1.36 0.73 0.93 0.00 0.00 98 R 8.98 4.73 0.00 1.67 1.72 0.00 3.24 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.83 0.00 99 S 8.42 4.70 0.00 3.69 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 0.00 100 P 0.00 4.11 0.00 0.88 0.78 0.00 3.36 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.61 0.00 101 C 7.46 4.48 0.00 2.76 2.85 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 0.00 102 Q 8.45 4.02 0.00 1.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.20 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 *111 A 7.57 4.22 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 0.00 112 N 7.85 4.40 0.00 2.71 2.84 0.00 0.00 6.99 8.03 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 0.00 113 P 0.00 4.95 0.00 1.93 1.85 0.00 3.73 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 114 W 8.15 5.25 0.00 3.29 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 0.00 115 Y 8.86 5.26 0.00 2.90 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 0.00 116 E 9.74 4.88 0.00 2.21 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 2.40 2.23 0.00 117 P 0.00 5.19 0.00 2.17 2.14 0.00 3.89 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 2.07 2.09 0.00 118 I 8.63 4.80 2.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.98 1.08 0.00 0.00 119 Y 8.90 5.20 0.00 3.01 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 0.00 120 L 8.34 4.91 0.00 1.46 1.42 0.98 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.53 4.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.60 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 0.00 123 V 8.40 5.17 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 0.95 0.00 0.00 0.98 0.00 0.00 124 F 9.78 4.94 0.00 2.94 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 0.00 125 Q 8.91 4.85 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 126 L 9.73 4.87 0.00 1.23 1.25 0.38 -0.18 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 0.00 127 E 9.38 5.02 0.00 1.94 1.84 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 2.26 2.39 0.00 128 P 0.00 4.51 0.00 2.18 2.16 0.00 3.34 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 129 G 8.41 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 0.00 130 D 7.87 4.72 0.00 2.56 2.50 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 0.00 131 R 8.47 5.00 0.00 1.67 1.79 0.00 3.07 0.00 0.00 3.31 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 132 L 9.02 5.24 0.00 1.53 1.60 0.72 0.39 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 0.00 133 S 8.56 4.96 0.00 3.80 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 0.00 134 A 8.13 4.75 0.31 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 0.00 135 E 9.13 4.99 0.00 1.90 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 2.22 2.20 0.00 136 I 8.34 5.77 2.18 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 1.04 1.26 1.00 0.00 0.00 137 N 8.60 4.43 0.00 2.76 3.00 0.00 0.00 6.75 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 0.00 138 R 7.77 4.48 0.00 1.81 1.58 0.00 3.24 0.00 0.00 3.38 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 139 P 0.00 4.58 0.00 2.30 2.12 0.00 3.75 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 1.92 1.95 0.00 140 D 7.88 4.43 0.00 1.86 2.48 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 0.00 141 Y 7.32 4.63 0.00 3.40 3.21 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 0.00 142 L 8.14 3.70 0.00 1.59 1.50 0.69 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 143 D 9.29 4.31 0.00 2.64 2.68 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 0.00 144 F 6.90 4.94 0.00 3.09 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 0.00 145 A 8.33 4.18 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 0.00 146 E 7.93 4.70 0.00 2.21 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 147 S 8.44 4.57 0.00 3.87 3.79 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 0.00 148 G 9.09 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 0.00 149 Q 8.12 4.18 0.00 2.24 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.80 0.00 0.00 0.00 0.00 0.00 2.50 2.41 0.00 150 V 7.92 4.85 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 1.14 0.00 0.00 0.94 0.00 0.00 151 Y 8.57 5.77 0.00 3.21 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 0.00 152 F 8.88 5.06 0.00 1.63 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 0.00 153 G 8.25 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 0.00 154 I 8.23 5.55 1.94 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.59 0.54 0.00 0.00 155 I 8.21 4.97 1.95 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 1.30 1.00 0.00 0.00 156 A 8.19 3.94 0.79 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 0.00 0.00 157 L 8.15 4.21 0.00 1.50 1.54 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.