NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.1277 8.1701 112.9196 61.3319 69.4693 169.2353 4 A 3.6275 8.6000 135.0000 47.8108 18.1183 174.7355 5 P 3.9162 0.0000 0.0000 63.6778 32.2602 173.9912 6 R 3.8889 8.0848 121.1385 53.3444 31.5707 174.2345 7 P 4.6174 0.0000 0.0000 63.1936 32.9499 175.7163 8 L 5.3195 8.7834 121.7851 53.0969 44.4026 177.5868 9 R 3.6239 8.4128 121.4345 59.8293 29.8764 178.5958 10 E 4.2392 8.1578 114.4165 58.5234 29.5125 177.5340 11 Q 4.1395 8.0332 116.5659 56.6558 29.1828 175.3055 12 Y 4.4792 8.0276 118.2746 56.6833 40.3354 176.3014 13 L 4.4992 8.0867 122.1336 55.0774 42.2213 175.7770 14 H 4.9810 7.4420 116.2856 55.4416 33.2354 171.9916 15 F 5.1191 8.6582 123.2605 55.7698 42.0148 174.6223 16 Q 4.5822 8.4768 122.3823 53.8352 32.0758 172.1582 17 P 4.6923 0.0000 0.0000 62.9373 32.3065 175.9868 18 I 4.5649 8.5458 122.5739 59.4317 40.5635 175.0572 19 S 4.5275 8.6254 120.4309 57.9136 64.0381 174.1268 20 T 4.5601 8.3355 113.1138 61.3514 70.1260 173.7120 21 R 4.9056 9.3958 121.4460 53.7808 33.0902 176.8792 22 W 2.5400 8.4610 129.6535 60.5915 30.3955 177.0166 23 H 4.4125 7.9804 113.4460 56.1540 29.6039 175.2350 24 D 4.3485 7.9307 119.9733 57.7182 40.8839 176.6901 25 N 4.7024 7.3103 116.0370 52.9112 39.3264 174.8946 26 D 4.5927 8.4646 123.0042 51.7181 41.6387 176.9146 27 I 3.6701 7.7107 111.3602 63.4700 37.4338 176.0530 28 Y 4.5512 7.7521 117.9511 57.9567 37.9012 176.3659 29 G 3.8751 8.8104 109.6011 45.0250 0.0000 172.2601 30 H 5.1495 7.3713 114.1384 52.8471 32.8009 172.7348 31 V 4.0513 8.9542 119.6082 63.0406 31.4954 175.4630 32 N 4.7986 9.4021 127.5370 53.0589 39.2632 175.6281 33 N 4.1542 8.7313 121.1813 55.5966 38.1460 177.5222 34 V 3.6030 8.1192 118.6566 66.2309 31.4904 178.1223 35 T 3.6154 7.6869 115.6464 66.4921 68.0940 175.9222 36 Y 3.5909 7.4300 118.4665 61.2923 37.7472 178.4742 37 Y 3.4745 7.6451 116.8594 60.3451 37.9293 177.9303 38 A 3.9912 7.6506 121.5876 55.0442 18.4915 179.4921 39 F 4.5335 7.6929 116.3205 60.7942 39.0302 177.7185 40 F 4.4431 8.6586 117.5135 60.9911 38.8257 177.2117 41 D 4.3945 8.4973 117.4785 57.6676 40.9747 178.5589 42 T 3.9283 8.2144 115.9595 66.5636 68.4432 176.5823 43 A 4.8367 8.4900 124.4632 54.7290 18.3823 179.9439 44 V 3.3700 7.9498 116.5042 66.3885 31.6268 178.1599 45 N 4.5369 8.3140 116.1251 56.2691 38.3135 177.6904 46 T 3.9078 8.0705 117.5496 66.7112 68.5325 175.7917 47 Y 3.9769 7.8677 121.1370 60.8613 38.8480 178.1862 48 L 4.0216 8.3031 119.8190 57.8960 41.4920 179.6990 49 I 3.9895 7.8669 120.4814 63.9420 37.1504 178.0135 50 E 4.1181 8.0680 117.9927 58.6264 29.5964 178.4783 51 R 4.3822 8.2017 115.8615 56.0138 31.6521 177.6508 52 G 3.9704 7.7240 102.7922 43.2801 0.0000 173.7230 53 G 3.9271 7.9920 110.0169 46.5292 0.0000 174.2788 54 L 3.8223 7.7000 119.4128 54.7206 41.1884 179.4091 55 D 4.9216 8.5963 123.3838 51.4575 41.2933 176.1634 56 I 3.9305 8.1518 120.3662 62.9202 38.5096 177.8807 57 Q 4.1541 8.3375 119.9563 58.4546 28.7161 177.0373 58 G 4.1622 8.8511 101.7211 44.6569 0.0000 172.8298 59 G 3.7206 8.4403 111.9868 46.2453 0.0000 174.7143 60 E 4.3115 8.7548 119.7038 57.5827 31.2543 175.4847 61 V 5.0444 7.8124 117.3745 61.5740 33.8540 174.7379 62 I 4.8987 8.9504 120.0372 59.3136 41.6693 173.8463 63 G 3.8051 8.6571 109.4974 44.2126 0.0000 172.6770 64 L 4.8991 8.5156 124.0803 52.3845 45.0047 176.0493 65 V 4.5331 8.4765 123.6815 63.1084 31.5974 175.7879 66 V 4.5685 8.3972 126.3623 61.6165 33.3446 175.5651 67 S 4.8384 7.9844 113.9316 58.0186 65.5961 174.2946 68 S 5.5543 8.6033 114.7409 57.8969 65.9606 172.9609 69 S 4.9735 9.3992 115.3664 58.0581 66.9996 172.0097 70 C 4.9097 8.3379 117.8607 58.4490 34.1702 172.3660 71 D 4.7128 8.7181 125.3822 52.4518 43.8306 174.4495 72 Y 4.2076 8.1231 119.7258 56.3900 39.3981 175.0288 73 F 5.0404 9.2193 123.6167 58.6181 41.0350 176.4612 74 A 4.7347 7.8081 118.6315 49.6443 22.0462 173.7616 75 P 4.6378 0.0000 0.0000 62.9731 32.5250 175.6633 76 V 4.8950 8.1527 110.7235 59.8372 36.2636 174.3531 77 A 5.0947 8.7898 122.0999 50.1814 22.6678 175.9474 78 F 4.3332 9.2007 124.6800 58.3482 39.8824 173.0506 79 P 4.2951 0.0000 0.0000 61.4363 31.4479 175.6932 80 Q 4.0188 7.9230 117.8586 57.3178 29.0990 176.5146 81 R 4.5406 8.3482 119.6148 55.3653 31.7946 175.5310 82 I 4.9098 8.0233 116.6864 59.1613 41.1379 174.3486 83 E 5.3202 8.4204 122.4760 54.2285 33.2642 174.4007 *85 G 3.4132 8.5728 104.3335 46.2675 0.0000 171.7435 86 L 5.3741 8.3852 124.3104 53.1357 45.7823 175.2616 87 R 5.0245 9.3194 123.6953 55.3489 33.3692 174.5087 88 V 4.2646 8.5334 119.2911 61.2688 33.4753 175.2190 89 A 4.1204 9.6000 132.2803 52.8762 18.1601 178.5364 90 R 4.3477 8.4680 115.3904 54.2846 32.4656 178.7606 91 L 4.7647 8.4918 124.6545 52.7462 43.5250 175.6757 92 G 4.1163 8.5712 121.1097 45.0210 0.0000 172.3660 93 N 4.5221 8.9239 115.3977 55.0022 37.8951 172.1986 94 S 5.2748 8.3709 110.7670 56.6214 64.9863 173.3907 95 S 5.5043 8.0615 115.0935 56.8858 66.9375 173.1163 96 V 4.6969 8.6239 119.2523 60.3509 35.1571 173.2760 97 Q 4.4651 9.0732 125.6161 54.7267 30.7164 173.8220 98 Y 4.9317 8.2504 125.2603 56.9957 40.1256 174.5449 99 E 5.1812 9.1060 122.2322 54.6378 32.7987 175.1607 100 L 5.1963 9.0937 122.9350 53.0153 46.0726 175.3586 101 A 4.8633 7.9089 121.2644 50.3280 22.6290 175.1918 102 L 4.8006 8.5529 122.7170 53.4142 44.3804 175.2260 103 F 5.2255 9.1759 124.8374 55.4153 42.5629 174.6380 104 L 4.4958 8.5866 122.9320 54.3123 42.5706 176.7570 105 E 4.3097 8.3635 122.7476 57.6890 29.9108 178.2108 106 G 3.8663 8.1946 107.6614 46.0845 0.0000 173.7672 107 Q 4.5866 7.7290 120.5996 55.0049 30.8184 176.6709 108 R 4.1880 8.4715 120.7478 59.9287 30.2684 176.7882 109 E 4.8532 8.1598 118.3114 54.8461 30.6729 176.0837 110 A 3.7087 8.8772 126.7774 52.3126 18.6425 177.5911 111 C 4.5393 9.1065 118.5870 62.4673 29.6092 173.5666 112 A 4.3614 7.7686 117.6316 50.8489 22.3337 175.1089 113 A 4.8516 8.2705 120.8418 51.0570 23.1876 175.9696 114 G 4.0063 9.0489 107.9037 46.3125 0.0000 172.0834 115 R 5.3434 8.7637 118.9370 55.4702 35.3393 174.2754 116 F 5.4108 8.6208 115.4514 56.4662 42.1260 172.6472 117 V 4.8639 9.0361 119.2384 61.5434 34.1964 173.7973 118 H 5.4935 8.8655 125.0589 54.6320 30.9316 174.0593 119 V 4.6100 8.5982 123.1243 61.1763 33.6842 174.5850 120 F 5.0121 9.1504 127.3601 57.3029 40.3329 175.1862 121 V 5.0009 9.0929 118.0768 59.9697 36.7042 175.1019 122 E 4.4793 9.0362 121.9284 56.8419 29.8879 178.6934 123 R 3.7229 9.3654 126.9559 56.9958 30.6906 177.4241 124 R 4.6598 7.4785 118.0099 54.0648 29.9786 175.3929 125 S 5.1412 8.4219 126.7998 59.7027 63.2764 179.5140 126 S 3.9659 8.9062 117.8713 59.0197 60.0466 172.2301 127 R 4.4670 7.8344 122.2367 56.2679 30.4268 177.0921 128 P 4.7753 0.0000 0.0000 61.9419 32.1113 175.8504 129 V 4.6778 8.9799 122.7366 59.2295 35.0971 174.8461 130 A 4.3769 8.6288 123.5545 52.1057 19.0412 177.4940 131 I 3.6970 8.4122 123.5582 60.5610 37.6467 174.6552 132 P 4.1897 0.0000 0.0000 63.8172 31.7830 177.4792 133 Q 3.9611 8.9563 123.0537 60.8092 27.7671 178.3107 134 E 4.2452 8.2460 123.2938 59.3732 29.6008 179.4487 135 L 4.0414 7.8707 124.6492 59.8652 41.0306 182.8036 136 R 4.1561 8.1327 124.6376 62.3270 29.3599 181.1552 137 D 4.5666 8.5393 122.1767 57.9773 39.5609 180.2729 138 A 4.3842 7.7343 123.4738 55.7399 18.6648 180.1302 139 L 4.2196 8.5097 121.1961 59.5751 40.9563 181.5082 140 A 4.2152 8.4318 121.9313 54.8820 18.1042 179.2713 141 A 4.1001 7.8563 117.2451 53.9751 18.6179 177.9989 142 L 4.4093 7.8432 119.1147 54.9006 42.2818 176.4895 143 Q 4.7842 8.2832 118.0788 53.7933 29.3320 180.5289 144 S 4.1555 8.5442 115.3370 58.2609 64.0067 171.2499 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 T 8.17 4.13 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 4 A 8.60 3.63 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 3.92 0.00 2.10 2.06 0.00 3.69 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 6 R 8.08 3.89 0.00 1.54 1.75 0.00 3.16 0.00 0.00 3.38 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.38 0.00 7 P 0.00 4.62 0.00 2.43 2.36 0.00 3.52 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 2.30 2.28 0.00 8 L 8.78 5.32 0.00 1.74 1.81 1.02 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.41 3.62 0.00 1.57 1.81 0.00 2.81 0.00 0.00 2.73 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.58 0.00 10 E 8.16 4.24 0.00 2.01 2.02 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 2.32 2.40 0.00 11 Q 8.03 4.14 0.00 2.29 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.62 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 12 Y 8.03 4.48 0.00 2.85 2.54 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 13 L 8.09 4.50 0.00 1.69 1.56 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 14 H 7.44 4.98 0.00 3.11 2.90 0.00 5.77 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 15 F 8.66 5.12 0.00 2.84 2.86 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 16 Q 8.48 4.58 0.00 2.14 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.09 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 17 P 0.00 4.69 0.00 2.11 2.22 0.00 3.80 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 2.00 2.01 0.00 18 I 8.55 4.56 1.50 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 1.05 0.89 0.00 0.00 19 S 8.63 4.53 0.00 4.04 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.34 4.56 4.52 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 1.30 0.00 0.00 21 R 9.40 4.91 0.00 2.03 1.86 0.00 3.21 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 22 W 8.46 2.54 0.00 2.89 2.86 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 23 H 7.98 4.41 0.00 3.20 3.26 0.00 5.81 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.93 4.35 0.00 2.89 2.70 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 25 N 7.31 4.70 0.00 2.33 2.52 0.00 0.00 7.01 7.94 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 26 D 8.46 4.59 0.00 2.66 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 27 I 7.71 3.67 1.63 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 -0.36 0.73 0.00 0.00 28 Y 7.75 4.55 0.00 3.00 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 29 G 8.81 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 H 7.37 5.15 0.00 3.39 3.49 0.00 5.66 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.95 4.05 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 0.48 0.00 0.00 1.00 0.00 0.00 32 N 9.40 4.80 0.00 2.68 2.57 0.00 0.00 6.82 6.31 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 33 N 8.73 4.15 0.00 2.39 2.09 0.00 0.00 5.71 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 34 V 8.12 3.60 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 0.99 0.00 0.00 0.94 0.00 0.00 35 T 7.69 3.62 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 0.63 0.00 0.00 36 Y 7.43 3.59 0.00 2.64 2.49 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 0.00 0.00 0.00 37 Y 7.65 3.47 0.00 3.11 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 38 A 7.65 3.99 1.22 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 0.00 0.00 39 F 7.69 4.53 0.00 3.35 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.66 4.44 0.00 3.40 3.37 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 41 D 8.50 4.39 0.00 2.92 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 42 T 8.21 3.93 4.59 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 1.30 0.00 0.00 43 A 8.49 4.84 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.95 3.37 2.23 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 0.48 0.00 0.00 0.49 0.00 0.00 45 N 8.31 4.54 0.00 2.98 2.94 0.00 0.00 7.11 7.17 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 46 T 8.07 3.91 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 1.33 0.00 0.00 47 Y 7.87 3.98 0.00 3.02 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 48 L 8.30 4.02 0.00 2.09 1.83 1.27 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.87 3.99 2.02 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 1.71 1.29 0.92 0.00 0.00 50 E 8.07 4.12 0.00 1.96 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 2.33 2.34 0.00 51 R 8.20 4.38 0.00 0.67 1.53 0.00 3.22 0.00 0.00 3.11 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.17 0.00 52 G 7.72 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 53 G 7.99 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 0.00 0.00 0.00 54 L 7.70 3.82 0.00 1.59 1.61 0.92 0.75 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 55 D 8.60 4.92 0.00 2.68 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 56 I 8.15 3.93 1.91 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 1.44 0.74 0.96 0.00 0.00 57 Q 8.34 4.15 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.03 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 58 G 8.85 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 0.00 0.00 0.00 0.00 59 G 8.44 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 60 E 8.75 4.31 0.00 1.67 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 2.29 1.87 0.00 61 V 7.81 5.04 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 1.18 0.00 0.00 0.97 0.00 0.00 62 I 8.95 4.90 1.91 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 1.20 0.64 0.96 0.00 0.00 63 G 8.66 3.81 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 0.00 0.00 0.00 64 L 8.52 4.90 0.00 1.48 1.51 0.91 0.68 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 65 V 8.48 4.53 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.71 0.00 0.00 66 V 8.40 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 0.83 0.00 0.00 0.95 0.00 0.00 67 S 7.98 4.84 0.00 3.91 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 68 S 8.60 5.55 0.00 4.28 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 69 S 9.40 4.97 0.00 3.95 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 70 C 8.34 4.91 0.00 2.25 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 0.00 0.00 0.00 71 D 8.72 4.71 0.00 2.27 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 0.00 0.00 0.00 0.00 72 Y 8.12 4.21 0.00 2.51 2.49 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 0.00 0.00 0.00 73 F 9.22 5.04 0.00 2.97 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 74 A 7.81 4.73 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 75 P 0.00 4.64 0.00 2.10 1.88 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 76 V 8.15 4.89 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 0.88 0.00 0.00 1.05 0.00 0.00 77 A 8.79 5.09 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 78 F 9.20 4.33 0.00 3.13 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 79 P 0.00 4.30 0.00 1.73 0.51 0.00 3.23 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.50 0.00 80 Q 7.92 4.02 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.00 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 81 R 8.35 4.54 0.00 1.74 1.81 0.00 3.03 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 82 I 8.02 4.91 1.71 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.32 0.82 0.00 0.00 83 E 8.42 5.32 0.00 2.10 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 2.36 2.25 0.00 *85 G 8.57 3.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 8.39 5.37 0.00 1.56 1.46 0.75 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 87 R 9.32 5.02 0.00 1.89 1.83 0.00 2.57 0.00 0.00 2.92 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.46 0.00 88 V 8.53 4.26 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 0.72 0.00 0.00 0.93 0.00 0.00 89 A 9.60 4.12 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.47 4.35 0.00 1.51 1.80 0.00 3.19 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.19 0.00 91 L 8.49 4.76 0.00 1.76 1.54 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.57 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 93 N 8.92 4.52 0.00 2.66 2.84 0.00 0.00 6.14 7.64 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 94 S 8.37 5.27 0.00 3.93 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 0.00 95 S 8.06 5.50 0.00 3.87 3.98 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 96 V 8.62 4.70 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 0.42 0.00 0.00 0.66 0.00 0.00 97 Q 9.07 4.47 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.26 2.18 0.00 98 Y 8.25 4.93 0.00 2.24 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 0.00 0.00 0.00 0.00 99 E 9.11 5.18 0.00 1.87 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 2.23 2.23 0.00 100 L 9.09 5.20 0.00 0.51 1.06 0.29 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 101 A 7.91 4.86 0.58 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 0.00 0.00 0.00 0.00 0.00 0.00 102 L 8.55 4.80 0.00 1.89 1.62 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 103 F 9.18 5.23 0.00 3.01 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 0.00 104 L 8.59 4.50 0.00 1.77 1.63 0.97 1.05 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 0.00 105 E 8.36 4.31 0.00 1.98 1.86 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 2.34 2.27 0.00 106 G 8.19 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 0.00 107 Q 7.73 4.59 0.00 2.36 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.64 0.00 108 R 8.47 4.19 0.00 1.50 1.92 0.00 3.24 0.00 0.00 3.34 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.23 0.00 109 E 8.16 4.85 0.00 1.91 1.93 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 2.33 2.36 0.00 110 A 8.88 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 9.11 4.54 0.00 2.99 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 0.00 112 A 7.77 4.36 0.96 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 0.00 113 A 8.27 4.85 1.43 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 0.00 0.00 114 G 9.05 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 0.00 115 R 8.76 5.34 0.00 1.89 1.83 0.00 3.16 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 1.58 1.64 0.00 116 F 8.62 5.41 0.00 3.45 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 0.00 117 V 9.04 4.86 2.17 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 1.00 0.00 0.00 0.96 0.00 0.00 118 H 8.87 5.49 0.00 3.17 2.45 0.00 5.66 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 0.00 119 V 8.60 4.61 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 0.94 0.00 0.00 0.93 0.00 0.00 120 F 9.15 5.01 0.00 3.23 3.02 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 0.00 121 V 9.09 5.00 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 0.74 0.00 0.00 0.99 0.00 0.00 122 E 9.04 4.48 0.00 1.65 1.85 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 2.24 2.13 0.00 123 R 9.37 3.72 0.00 2.06 2.07 0.00 3.30 0.00 0.00 3.15 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.46 0.00 124 R 7.48 4.66 0.00 2.05 1.84 0.00 3.51 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.14 0.00 125 S 8.42 5.14 0.00 4.04 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 0.00 126 S 8.91 3.97 0.00 3.80 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 0.00 127 R 7.83 4.47 0.00 1.53 1.84 0.00 3.28 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.48 0.00 128 P 0.00 4.78 0.00 1.95 2.10 0.00 3.60 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 129 V 8.98 4.68 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 0.96 0.00 0.00 130 A 8.63 4.38 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.41 3.70 1.75 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 1.34 0.80 0.29 0.00 0.00 132 P 0.00 4.19 0.00 2.14 2.16 0.00 3.52 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 1.95 1.94 0.00 133 Q 8.96 3.96 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.01 0.00 134 E 8.25 4.25 0.00 2.00 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 2.48 2.34 0.00 135 L 7.87 4.04 0.00 1.69 1.65 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 136 R 8.13 4.16 0.00 1.80 1.99 0.00 3.24 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 137 D 8.54 4.57 0.00 2.65 2.70 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 0.00 138 A 7.73 4.38 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 0.00 139 L 8.51 4.22 0.00 1.64 1.69 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.43 4.22 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 A 7.86 4.10 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 0.00 0.00 0.00 142 L 7.84 4.41 0.00 1.84 1.62 0.23 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 143 Q 8.28 4.78 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.01 0.00 0.00 0.00 0.00 0.00 2.26 2.12 0.00 144 S 8.54 4.16 0.00 4.10 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 * Residues marked with a * may have inaccurate shift predictions.