NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.1298 8.1633 120.7418 55.2392 33.9201 173.9854 2 R 4.8286 8.6998 121.6864 51.6978 34.4334 169.1823 3 V 4.6720 8.5598 123.3223 60.0113 35.4258 174.8882 4 V 4.6086 8.1588 125.2253 61.2107 31.1328 173.7741 5 I 4.2969 8.1811 124.8372 60.9902 38.7668 174.9127 6 Q 4.9755 8.9216 124.4682 54.3368 33.4099 173.9958 7 R 4.4355 8.6267 125.1284 56.1411 31.2781 175.6378 8 V 4.9906 9.2394 119.1549 59.6913 35.6720 176.5045 9 K 4.2299 9.2970 121.5883 56.6912 32.7210 177.6239 10 G 4.4730 7.2301 111.7881 46.0804 0.0000 171.6051 11 A 5.0337 8.3142 123.7628 50.0226 23.1611 175.1583 12 I 4.7537 9.0613 122.7643 59.4485 40.2359 174.4973 13 L 4.7190 8.8429 130.3813 54.1472 43.8224 175.5792 14 S 5.1711 8.5419 120.2921 56.9728 67.4810 173.3643 15 V 4.9003 8.5887 115.1824 59.6698 36.0261 174.6758 16 R 4.6443 8.4634 120.6081 54.8117 31.2094 176.2863 *27 L 4.5246 8.2685 122.2327 54.5315 43.1446 176.0146 28 E 4.7677 9.1906 120.9479 54.3323 32.9694 175.0419 29 I 4.5753 8.4997 123.9927 61.4722 37.1746 175.5429 30 I 4.5435 8.4226 119.5307 60.7147 39.4009 175.7865 31 S 4.7802 7.6364 117.8562 57.2582 67.4142 172.3549 32 E 5.2665 8.4970 120.2806 55.9437 32.4391 174.1025 33 I 4.7696 8.3541 117.1831 59.9806 41.5939 173.1795 34 K 4.8989 8.3788 121.9666 56.3375 33.6578 175.3684 35 N 3.9071 7.7753 117.9978 53.1233 39.9847 174.1481 36 G 3.8554 7.5003 109.3016 45.3144 0.0000 171.2366 37 L 5.0821 7.9900 123.2482 53.9333 45.4294 175.3821 38 I 4.3486 7.5261 116.0468 60.8039 42.1274 173.0263 39 C 5.1509 8.1937 126.6040 57.9992 31.7634 173.2449 40 F 4.6347 8.5668 122.6515 56.3472 39.4712 174.3713 41 L 4.6530 8.9314 127.6197 53.8646 43.7625 175.3095 42 G 4.6263 9.1446 113.9009 44.7180 0.0000 172.0952 43 I 4.8684 8.6770 126.2977 60.2289 38.5732 175.2800 44 H 3.4079 9.4527 127.7407 54.5254 30.6449 176.1811 45 K 3.8986 7.9538 123.0990 59.2594 32.4402 177.7042 46 N 4.8445 8.0437 113.7847 52.5774 39.0642 174.3406 47 D 4.6189 7.5001 118.8807 55.0163 41.5892 176.1124 48 T 4.7693 10.7500 112.7546 59.3717 71.5322 175.2870 49 W 4.5659 8.8752 130.3089 60.7129 30.3407 177.5864 50 E 3.8999 8.2802 117.4896 59.3903 29.1797 178.0584 51 D 4.3960 8.0073 118.4447 57.7417 40.9142 178.6549 52 A 3.9000 7.8490 120.2949 55.1021 18.0336 179.1269 53 L 3.4384 7.1936 118.5591 57.6472 41.8337 178.6368 54 Y 4.0849 7.8164 119.5284 60.5975 39.0047 177.0166 55 I 3.5719 7.8280 120.2188 64.7850 37.0779 178.0456 56 I 3.1637 7.5956 120.1089 64.3168 36.8876 178.1695 57 R 3.6899 7.2612 117.9717 59.7238 29.9424 178.1972 58 K 3.7710 8.0069 117.8324 59.7490 31.9614 179.0620 59 C 4.1879 7.7752 115.9687 62.7195 28.1663 175.6538 60 L 4.5271 8.0595 118.9470 55.1269 42.2705 176.8815 61 N 4.8915 8.1295 113.8144 52.6826 40.7372 175.0155 62 L 3.8296 8.1173 118.4381 55.4585 42.1102 177.3256 63 R 4.6853 8.5580 122.0292 55.1943 29.5675 176.4931 64 L 5.1212 8.9330 121.6143 53.5004 44.0505 177.0075 65 W 4.4957 8.0800 119.3300 54.7323 30.7315 175.1861 66 N 4.6347 8.4786 120.7945 52.2991 36.9439 174.7801 67 N 4.4797 8.8376 123.3019 53.1035 38.1306 173.0861 68 D 4.1549 7.8592 124.5044 53.4295 43.2043 177.0383 69 N 4.5913 9.5453 120.4360 53.4972 36.6623 174.2375 70 K 4.7214 7.4998 115.8516 55.0603 36.4465 175.1912 71 T 4.5959 7.9874 109.6366 60.1596 72.0180 173.2324 72 W 3.8737 8.1237 119.5792 57.1081 27.1913 174.3751 73 D 4.8090 8.0375 116.9653 55.7806 42.2225 177.1644 74 K 4.7287 8.3400 117.3799 55.2354 34.8417 174.4961 75 N 5.7759 8.9700 118.3265 50.7640 40.8069 176.0047 76 V 3.3791 9.0797 112.3293 64.7695 31.5600 178.9924 77 K 3.5776 7.7901 117.0984 59.5730 31.7287 178.8946 78 D 4.5080 8.4383 118.0458 56.6634 40.6826 178.0709 79 L 4.0240 7.0690 116.6413 52.5935 42.9833 176.1031 80 N 4.1273 7.9434 116.5290 55.2308 37.4291 171.5322 81 Y 5.1398 8.4538 115.5121 56.7410 41.9843 176.3942 82 E 4.8508 8.4347 120.0929 55.3229 32.7685 175.1054 83 L 4.9775 8.6139 118.7242 53.7309 46.5978 176.2774 84 L 4.5127 7.9088 119.4161 53.8274 43.9528 174.1293 85 I 4.1928 8.5279 126.5499 60.6739 38.8218 175.4279 86 V 4.5389 8.4485 126.5206 61.4734 34.4785 173.9234 87 S 4.9704 9.0078 123.4685 58.8330 63.4202 173.9485 88 Q 4.4331 9.8400 126.1260 54.4210 31.5716 175.6872 89 F 4.4633 9.2665 121.1390 59.3625 38.6881 177.7437 90 T 3.4478 7.0108 111.8002 64.4802 68.2411 175.8049 91 L 4.0928 7.4103 120.6349 56.6909 41.5951 177.4407 92 F 4.8121 8.5075 116.2561 56.9307 40.0156 175.9607 93 G 4.0087 8.5685 108.4832 46.2728 0.0000 173.4734 94 N 4.8849 9.5406 126.8906 52.8374 40.4161 175.3852 95 T 4.5238 8.3120 118.5551 62.0169 69.4779 175.8925 96 K 4.1210 8.0205 127.6183 58.4363 31.7166 180.5475 97 K 4.1801 7.4047 120.0637 54.3270 32.1917 180.7780 98 G 4.2905 7.4347 108.3272 43.2175 0.0000 172.7655 99 N 4.3630 8.8512 118.4275 56.8152 38.4739 177.4258 100 K 4.2670 7.7740 120.7664 53.6994 29.6898 176.1439 101 P 4.6483 0.0000 0.0000 62.1209 32.3601 176.1851 102 D 4.0475 8.1248 117.2019 51.5513 43.1835 175.1843 103 F 5.3688 7.1166 115.6873 57.1776 39.6253 176.2246 104 H 4.5662 8.5188 118.4762 58.4481 29.5451 177.4014 105 L 3.9785 7.9632 119.1683 56.2425 42.3061 176.2301 106 A 4.0246 7.1419 118.3807 51.4680 20.6528 176.1005 107 K 4.5162 7.7352 117.0203 54.3122 34.9418 176.5261 108 E 3.9875 9.0469 127.7072 56.9860 30.0086 176.4764 109 P 4.2155 0.0000 0.0000 65.7943 32.0134 178.0136 110 N 4.3153 7.9429 116.1137 56.4046 38.6128 177.1690 111 E 4.1901 8.2552 116.0736 58.0152 29.5652 178.3505 112 A 4.4318 7.5013 120.7967 53.4218 19.0411 178.0698 113 L 3.4000 7.0217 115.5353 55.3387 42.0532 177.2017 114 I 4.2371 7.2929 117.9955 63.5276 38.5163 177.2101 115 F 4.2018 7.9787 121.3684 61.6621 39.2364 176.1092 116 Y 4.2944 8.4996 119.0847 61.4043 38.6008 178.2720 117 N 4.6195 8.4516 116.4380 55.8931 38.7527 177.4779 118 K 4.1526 7.6604 121.6081 59.4618 32.0651 178.6607 119 I 3.8397 8.2967 120.1139 64.5572 37.0116 178.2524 120 I 3.7148 8.4977 120.7808 64.9487 36.9819 178.2431 121 D 4.3930 8.0489 119.1382 57.3069 40.8063 178.1354 122 E 4.0370 8.3049 119.8074 59.4956 29.4597 178.7581 123 F 4.3228 8.8138 118.1799 60.8695 38.7965 177.8824 124 K 4.1466 8.1129 116.7295 58.8626 31.9075 179.2803 125 K 4.1270 8.5497 120.1985 59.6727 32.3180 178.5833 126 Q 4.1743 8.4604 117.2772 60.6169 29.2067 176.3426 127 Y 4.9307 7.8606 120.4239 55.9878 42.7931 173.2997 128 N 4.6281 7.3086 115.9221 52.6135 40.1013 176.2141 129 D 4.4900 8.5180 123.3525 55.6822 41.4456 175.7908 130 D 4.5815 10.0693 116.5848 55.1962 41.7912 176.5745 131 K 4.2156 7.5191 117.2012 57.9946 33.1636 176.3587 132 I 4.3225 7.4126 119.4838 60.8190 37.9196 175.7199 133 K 4.8191 8.6505 124.8069 54.6408 36.3234 175.3190 134 I 5.3535 7.7671 115.2759 58.4196 41.1280 172.8439 135 G 4.2932 8.5947 110.9134 44.9605 0.0000 174.0151 136 K 4.3145 8.5600 121.2358 53.0374 30.5411 171.2230 137 F 3.6153 8.5720 126.6626 59.5147 39.5387 174.1637 138 G 4.2927 8.4887 120.7961 45.7514 0.0000 173.3733 139 N 4.3409 7.2236 116.4145 52.8893 39.1361 174.4943 140 Y 4.1554 8.6338 122.2773 58.4522 39.4183 175.2725 141 M 4.8252 7.4141 124.6563 53.4000 35.9921 174.9464 142 N 4.6810 8.9100 119.7933 52.0038 41.3818 172.5552 143 I 5.3730 7.9795 126.4262 58.6921 39.3052 175.2652 144 D 4.5740 8.7122 127.9749 54.1397 41.6675 175.7982 145 V 4.5616 8.4423 123.1694 61.6050 34.6388 175.5844 146 T 4.6417 8.1981 120.9401 60.9769 69.4703 171.6720 147 N 4.6875 8.5439 120.9565 53.6854 39.5566 174.1825 148 D 4.2773 10.5926 124.7518 53.6239 41.1137 175.5878 149 G 4.3488 8.4639 119.1672 44.8753 0.0000 168.4971 150 P 4.4924 0.0000 0.0000 61.3271 33.3617 175.9411 151 V 4.4354 8.1465 120.5704 61.7439 34.2564 174.6986 152 T 5.0681 8.2665 123.3647 61.8878 70.3951 173.5308 153 I 4.2468 8.1530 127.3174 61.1025 39.5004 174.3273 154 Y 4.8559 8.2298 123.9757 56.9896 41.4600 173.6394 155 I 4.5455 8.0596 127.1637 59.5407 41.0276 174.3643 156 D 5.2028 8.5250 125.6960 52.1095 42.0076 175.7925 157 T 3.9813 8.7893 117.2644 64.4236 69.9327 175.9046 158 H 4.7064 8.2327 118.5758 56.1103 27.9115 175.3952 159 D 4.8907 8.7126 116.0050 53.8336 42.6664 176.2020 160 I 4.0035 7.6955 125.7698 61.4049 37.4563 175.4164 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 8.16 5.13 0.00 1.73 2.02 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 8.70 4.83 0.00 1.28 1.41 0.00 2.23 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.36 0.00 3 V 8.56 4.67 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 0.65 0.00 0.00 0.96 0.00 0.00 4 V 8.16 4.61 2.30 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 1.07 0.00 0.00 1.01 0.00 0.00 5 I 8.18 4.30 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 1.24 0.88 0.91 0.00 0.00 6 Q 8.92 4.98 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.01 0.00 0.00 0.00 0.00 0.00 2.35 2.64 0.00 7 R 8.63 4.44 0.00 1.67 1.79 0.00 2.21 0.00 0.00 2.36 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.50 0.00 8 V 9.24 4.99 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 0.87 0.00 0.00 0.98 0.00 0.00 9 K 9.30 4.23 0.00 1.58 1.83 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.54 7.81 10 G 7.23 4.47 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 0.00 11 A 8.31 5.03 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 12 I 9.06 4.75 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 1.28 0.78 0.91 0.00 0.00 13 L 8.84 4.72 0.00 1.68 1.59 0.93 0.79 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 14 S 8.54 5.17 0.00 4.00 3.69 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 15 V 8.59 4.90 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 0.72 0.00 0.00 0.95 0.00 0.00 16 R 8.46 4.64 0.00 1.85 1.90 0.00 3.37 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 *27 L 8.27 4.52 0.00 1.59 1.68 1.01 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.19 4.77 0.00 1.95 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 2.19 2.26 0.00 29 I 8.50 4.58 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 1.41 0.81 0.91 0.00 0.00 30 I 8.42 4.54 1.88 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 1.23 0.95 0.94 0.00 0.00 31 S 7.64 4.78 0.00 3.71 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 E 8.50 5.27 0.00 1.90 1.73 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 2.10 2.41 0.00 33 I 8.35 4.77 1.83 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 1.20 0.95 0.89 0.00 0.00 34 K 8.38 4.90 0.00 1.72 1.58 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.75 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.46 7.81 35 N 7.78 3.91 0.00 1.50 1.42 0.00 0.00 6.79 7.73 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 36 G 7.50 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.99 5.08 0.00 1.72 1.66 1.05 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.53 4.35 1.75 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.90 0.91 0.00 0.00 39 C 8.19 5.15 0.00 2.84 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 40 F 8.57 4.63 0.00 3.08 2.97 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 41 L 8.93 4.65 0.00 1.82 1.71 1.01 1.11 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 42 G 9.14 4.63 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 0.00 0.00 0.00 43 I 8.68 4.87 2.05 0.00 0.00 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 1.59 1.94 0.83 0.00 0.00 44 H 9.45 3.41 0.00 3.17 3.32 0.00 5.59 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.95 3.90 0.00 1.88 2.10 0.00 1.60 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.43 7.81 46 N 8.04 4.84 0.00 2.69 2.84 0.00 0.00 6.92 8.06 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 47 D 7.50 4.62 0.00 2.47 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 48 T 10.75 4.77 4.37 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 1.29 0.00 0.00 49 W 8.88 4.57 0.00 3.48 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 50 E 8.28 3.90 0.00 1.99 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 0.00 2.38 2.36 0.00 51 D 8.01 4.40 0.00 3.09 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 52 A 7.85 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.19 3.44 0.00 1.25 1.57 0.69 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.82 4.08 0.00 2.95 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 55 I 7.83 3.57 1.97 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 1.68 1.06 0.89 0.00 0.00 56 I 7.60 3.16 1.41 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.30 0.62 0.00 0.00 57 R 7.26 3.69 0.00 1.88 1.92 0.00 3.05 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.63 0.00 58 K 8.01 3.77 0.00 1.54 1.66 0.00 1.58 0.00 0.00 1.44 0.00 0.00 2.61 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.72 1.09 7.81 59 C 7.78 4.19 0.00 3.44 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 60 L 8.06 4.53 0.00 1.90 1.67 1.03 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.13 4.89 0.00 2.65 2.79 0.00 0.00 7.00 7.74 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 62 L 8.12 3.83 0.00 1.65 1.64 0.87 0.84 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 63 R 8.56 4.69 0.00 1.97 2.14 0.00 3.09 0.00 0.00 3.38 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.83 0.00 64 L 8.93 5.12 0.00 1.05 1.39 0.81 0.95 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 65 W 8.08 4.50 0.00 3.45 2.97 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 66 N 8.48 4.63 0.00 2.61 2.85 0.00 0.00 7.00 8.00 0.00 0.00 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 N 8.84 4.48 0.00 2.80 2.86 0.00 0.00 6.74 8.49 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 68 D 7.86 4.15 0.00 2.66 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 69 N 9.55 4.59 0.00 2.94 3.01 0.00 0.00 6.74 7.61 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 70 K 7.50 4.72 0.00 1.82 1.67 0.00 1.83 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.38 7.81 71 T 7.99 4.60 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 1.14 0.00 0.00 72 W 8.12 3.87 0.00 3.35 3.32 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 73 D 8.04 4.81 0.00 2.80 2.69 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 74 K 8.34 4.73 0.00 1.82 1.72 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.50 7.81 75 N 8.97 5.78 0.00 2.97 3.15 0.00 0.00 7.34 7.20 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 76 V 9.08 3.38 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 1.18 0.00 0.00 1.11 0.00 0.00 77 K 7.79 3.58 0.00 1.70 1.61 0.00 1.46 0.00 0.00 1.50 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.30 0.92 7.81 78 D 8.44 4.51 0.00 2.79 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 79 L 7.07 4.02 0.00 0.27 0.13 0.40 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.94 4.13 0.00 2.66 2.66 0.00 0.00 6.92 7.41 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 81 Y 8.45 5.14 0.00 2.64 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 82 E 8.43 4.85 0.00 1.84 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 2.22 2.29 0.00 83 L 8.61 4.98 0.00 1.42 1.27 1.18 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.91 4.51 0.00 1.67 1.37 0.89 1.06 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 85 I 8.53 4.19 1.78 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.62 0.82 0.00 0.00 86 V 8.45 4.54 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 1.06 0.00 0.00 0.86 0.00 0.00 87 S 9.01 4.97 0.00 4.07 3.45 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 88 Q 9.84 4.43 0.00 1.95 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.69 0.00 89 F 9.27 4.46 0.00 3.26 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 90 T 7.01 3.45 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 0.14 0.00 0.00 91 L 7.41 4.09 0.00 1.44 1.52 0.99 0.73 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 92 F 8.51 4.81 0.00 3.24 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 93 G 8.57 4.01 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 0.00 0.00 0.00 94 N 9.54 4.88 0.00 2.88 2.71 0.00 0.00 6.27 7.25 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 95 T 8.31 4.52 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 96 K 8.02 4.12 0.00 1.93 1.76 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.25 7.81 97 K 7.40 4.18 0.00 1.77 1.59 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.34 1.00 7.81 98 G 7.43 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 0.00 0.00 0.00 0.00 99 N 8.85 4.36 0.00 2.72 2.89 0.00 0.00 6.74 7.61 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 0.00 100 K 7.77 4.27 0.00 1.77 1.65 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.00 7.81 101 P 0.00 4.65 0.00 2.29 2.13 0.00 3.70 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.02 0.00 102 D 8.12 4.05 0.00 2.49 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 0.00 103 F 7.12 5.37 0.00 3.24 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 0.00 104 H 8.52 4.57 0.00 3.17 3.33 0.00 5.67 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 0.00 105 L 7.96 3.98 0.00 1.78 1.72 0.97 1.42 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 0.00 106 A 7.14 4.02 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 0.00 107 K 7.74 4.52 0.00 1.73 1.71 0.00 1.63 0.00 0.00 1.53 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.29 7.81 108 E 9.05 3.99 0.00 2.05 1.81 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 2.37 2.29 0.00 109 P 0.00 4.22 0.00 2.23 2.06 0.00 3.64 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 110 N 7.94 4.32 0.00 2.70 2.82 0.00 0.00 7.09 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 0.00 111 E 8.26 4.19 0.00 1.98 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 0.00 2.32 2.31 0.00 112 A 7.50 4.43 1.48 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 0.00 0.00 113 L 7.02 3.40 0.00 0.81 1.45 0.09 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.29 4.24 2.15 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 1.69 0.88 0.93 0.00 0.00 115 F 7.98 4.20 0.00 3.22 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 0.00 116 Y 8.50 4.29 0.00 3.50 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 0.00 117 N 8.45 4.62 0.00 2.84 2.93 0.00 0.00 7.11 6.91 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 0.00 118 K 7.66 4.15 0.00 1.69 1.25 0.00 1.29 0.00 0.00 1.30 0.00 0.00 2.84 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.24 1.54 7.81 119 I 8.30 3.84 2.05 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.54 0.85 0.00 0.00 120 I 8.50 3.71 2.00 0.00 0.00 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 1.54 1.37 1.00 0.00 0.00 121 D 8.05 4.39 0.00 2.92 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 0.00 122 E 8.30 4.04 0.00 2.39 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 0.00 2.41 2.34 0.00 123 F 8.81 4.32 0.00 3.25 2.99 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 0.00 124 K 8.11 4.15 0.00 1.92 1.89 0.00 1.76 0.00 0.00 2.00 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.74 7.81 125 K 8.55 4.13 0.00 1.83 2.07 0.00 1.85 0.00 0.00 2.06 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.52 7.81 126 Q 8.46 4.17 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.46 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 127 Y 7.86 4.93 0.00 2.87 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 0.00 128 N 7.31 4.63 0.00 2.72 2.18 0.00 0.00 6.58 8.49 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 0.00 129 D 8.52 4.49 0.00 2.65 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 0.00 130 D 10.07 4.58 0.00 2.59 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 0.00 131 K 7.52 4.22 0.00 1.27 1.70 0.00 1.89 0.00 0.00 1.54 0.00 0.00 2.78 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.85 0.68 7.81 132 I 7.41 4.32 1.84 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 1.28 0.77 0.76 0.00 0.00 133 K 8.65 4.82 0.00 1.71 1.61 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.70 7.81 134 I 7.77 5.35 2.07 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.70 1.08 0.00 0.00 135 G 8.59 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 0.00 0.00 0.00 0.00 136 K 8.56 4.31 0.00 1.70 1.76 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.44 0.99 7.81 137 F 8.57 3.62 0.00 2.67 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 0.00 138 G 8.49 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 0.00 0.00 0.00 0.00 139 N 7.22 4.34 0.00 2.74 2.86 0.00 0.00 7.07 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 0.00 140 Y 8.63 4.16 0.00 2.96 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 0.00 141 M 7.41 4.83 0.00 1.75 1.72 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.43 0.00 142 N 8.91 4.68 0.00 2.86 2.68 0.00 0.00 7.23 7.42 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 0.00 143 I 7.98 5.37 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.16 0.93 0.00 0.00 144 D 8.71 4.57 0.00 2.60 2.61 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 0.00 145 V 8.44 4.56 2.13 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 0.87 0.00 0.00 1.00 0.00 0.00 146 T 8.20 4.64 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 1.21 0.00 0.00 147 N 8.54 4.69 0.00 2.62 2.79 0.00 0.00 6.96 8.06 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 0.00 148 D 10.59 4.28 0.00 2.61 2.61 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 0.00 149 G 8.46 4.35 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 0.00 150 P 0.00 4.49 0.00 2.20 2.06 0.00 3.73 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 151 V 8.15 4.44 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 1.22 0.00 0.00 0.89 0.00 0.00 152 T 8.27 5.07 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 1.27 0.00 0.00 153 I 8.15 4.25 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.97 0.91 0.00 0.00 154 Y 8.23 4.86 0.00 2.96 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 0.00 155 I 8.06 4.55 1.80 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.57 1.02 0.00 0.00 156 D 8.53 5.20 0.00 2.91 2.99 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 0.00 157 T 8.79 3.98 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 1.39 0.00 0.00 158 H 8.23 4.71 0.00 3.48 3.43 0.00 5.79 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 8.71 4.89 0.00 2.65 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 0.00 160 I 7.70 4.00 1.62 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 1.05 0.32 0.76 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.