NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9688 8.1976 109.7356 45.4280 0.0000 173.6271 2 S 4.0227 8.6526 113.2578 61.0288 62.3787 174.4193 3 M 3.9764 8.3552 122.3792 58.3922 32.8569 178.8454 4 A 4.1367 7.9020 120.3999 55.1566 18.8449 179.0762 5 D 4.3311 8.3413 117.6537 57.6387 40.7101 178.7145 6 E 4.2030 8.4750 117.4031 58.2128 29.7642 178.2148 7 A 4.3136 7.7348 120.1386 53.3578 19.1583 179.0580 8 L 3.8586 7.4208 118.2881 58.4318 42.1956 178.9608 9 F 4.3751 8.1040 119.9587 61.1104 39.2961 176.3783 10 L 3.5917 7.8381 119.4858 58.2052 41.7878 178.8459 11 L 3.9378 8.0625 118.8481 57.8453 41.5681 179.6097 12 L 3.9763 7.9639 118.8850 57.9532 41.4691 178.9939 13 H 3.8171 8.5152 118.5067 59.1999 29.6454 176.9394 14 N 4.3631 8.3747 118.5725 56.4774 38.2762 177.2331 15 E 3.9472 7.9004 119.4274 59.5207 29.4808 179.2349 16 M 3.9924 8.0046 118.6925 58.3656 32.0396 179.0181 17 V 3.5182 7.7716 118.3490 66.0407 31.7142 177.8041 18 S 4.2165 8.2526 113.1214 61.5673 62.1209 176.4914 19 G 3.6456 8.4492 108.6352 47.6261 0.0000 175.8692 20 V 3.5498 7.8215 119.8979 66.0240 31.5446 177.5563 21 Y 3.9451 8.1519 116.4488 60.8847 37.5430 178.0684 22 K 3.9909 8.4306 119.7793 59.2688 32.3929 178.0317 23 S 4.5139 8.0599 112.1828 57.3370 63.4958 174.3632 24 A 4.0156 7.0239 125.5488 52.2331 18.8829 177.7215 25 E 4.3228 8.7450 121.0430 55.1287 30.6171 176.2529 26 Q 3.9377 8.4279 118.4248 57.9033 29.1771 178.5856 27 G 3.9819 9.0051 109.8703 45.7497 0.0000 174.7131 28 E 4.3020 8.0177 119.5189 58.4526 30.2781 179.4535 29 V 3.4701 7.8468 118.6796 65.9935 31.8014 177.9414 30 E 4.0791 8.1845 117.4382 58.6178 29.4418 177.2961 31 N 4.6158 8.1082 114.2395 52.4265 37.9552 175.9523 32 G 3.9648 8.0936 108.1845 45.7931 0.0000 175.6465 33 R 3.9982 8.4873 121.9981 58.8612 29.9569 178.1465 34 C 3.9141 7.9337 116.7502 62.4714 27.8450 176.1707 35 I 3.7816 7.6260 121.2874 64.6586 36.9942 178.4184 36 T 3.8873 7.9869 110.6190 64.5355 68.4596 176.5902 37 K 4.0414 8.2729 121.5127 59.4541 32.1512 179.2002 38 L 4.2129 7.9406 119.0780 58.0158 41.5054 179.5736 39 E 4.2366 8.5606 118.6792 59.5241 29.4432 179.1681 40 N 4.3960 8.6365 116.9879 56.3907 38.5819 177.5097 41 M 4.3063 8.4724 120.5349 58.2655 32.0162 179.0029 42 G 2.3723 7.9689 105.9546 47.0956 0.0000 175.3466 43 F 4.2727 8.3002 123.2640 61.3724 39.4349 177.4813 44 R 4.1485 8.1265 117.4439 59.3008 29.8452 179.3300 45 V 3.7252 7.9194 118.2501 65.7580 31.6077 178.2870 46 G 3.7264 8.3336 105.9093 47.9296 0.0000 175.3867 47 Q 3.9929 8.0537 121.1409 58.7877 28.5593 179.6001 48 G 3.6681 7.9255 104.9151 47.7478 0.0000 175.3955 49 L 4.1981 8.1683 121.2728 57.6919 41.6721 179.4882 50 I 4.0750 7.9687 119.6582 64.7127 36.8945 178.2560 51 E 4.1035 8.0779 117.3931 58.5582 29.3198 178.4894 52 R 4.3673 7.7148 116.1381 54.3752 30.9128 176.1517 53 F 4.5962 8.5054 117.9181 57.5266 37.7921 176.5783 *63 E 4.3266 9.1078 132.0760 56.9373 31.2088 176.6515 64 L 3.9838 7.8680 119.5842 58.1166 42.2413 178.3998 65 D 4.3501 8.0725 118.4226 57.5460 40.8273 178.6589 66 I 3.6969 7.6745 119.6741 64.6424 37.0918 178.2781 67 M 3.8734 7.6794 119.0603 58.1272 31.7933 178.8948 68 K 3.9340 8.2985 118.9941 59.3557 32.1608 179.1743 69 F 4.1569 8.1261 120.6263 61.0870 39.2746 177.2647 70 I 3.4603 7.6974 119.5152 64.6497 36.9250 178.2366 71 C 4.1160 8.1762 117.1090 61.5346 27.8244 174.2555 72 K 4.4758 7.8959 117.6374 57.0130 34.3421 177.9369 73 D 4.3488 8.4166 120.9341 57.8335 41.6212 178.2493 74 F 3.7390 7.1729 120.6929 61.0194 39.3551 176.8974 75 W 4.2262 8.4209 128.0038 60.9925 30.4801 178.0549 76 T 4.2424 8.3639 117.3544 66.1987 67.6116 176.9489 77 T 3.7722 7.7514 117.0887 66.4991 68.5573 176.4739 78 V 3.1629 6.9093 118.0038 64.6709 31.4048 177.1570 79 F 4.7992 8.2621 114.8403 56.0574 39.3795 176.3517 80 K 4.5601 8.2717 116.9090 56.5430 29.6666 174.9841 81 K 4.5473 7.4958 116.5892 56.3072 35.4129 174.7713 82 Q 4.5786 8.4142 118.6757 54.6744 29.8715 176.1523 83 I 3.5015 8.1360 121.2667 61.5810 37.5127 176.6892 84 D 4.5733 8.3797 124.5153 57.1489 41.6328 176.7507 85 N 4.8530 7.8604 116.4248 52.0825 42.6462 172.8407 86 L 5.1265 8.6028 128.1577 53.3710 44.0247 175.1399 87 R 4.7505 9.0331 126.7599 54.7425 33.5959 174.1214 88 T 4.7260 8.1902 118.8198 59.6392 69.2545 173.1089 89 N 4.5245 8.9236 126.6105 55.2962 39.6726 175.2130 90 H 4.7984 7.5614 113.3260 53.4660 32.8965 172.3027 91 Q 3.8264 8.6446 120.7784 58.2979 28.7476 177.8606 92 G 3.9421 9.6332 110.7324 44.9905 0.0000 171.6842 93 I 5.0193 7.4410 119.8304 59.4364 41.2835 173.5045 94 Y 4.9970 9.3530 126.9468 56.1091 41.8813 174.7059 95 V 4.7589 9.3321 122.7366 61.2077 34.5373 174.1008 96 L 4.9214 9.2794 128.7825 53.2024 43.8096 175.0882 97 Q 4.9444 8.7343 126.2117 54.2795 31.4508 173.5239 98 D 5.1182 9.0353 126.8906 52.6298 42.7345 176.6273 99 N 4.6990 10.0309 125.1265 55.6050 38.8617 175.8670 100 K 4.5147 7.9195 117.9717 54.3447 32.8322 173.2166 101 F 4.5977 9.4827 125.7233 57.1315 40.1173 175.8794 102 R 3.7766 8.2390 128.7312 59.5544 29.8604 177.9592 103 L 3.9690 6.5446 114.8755 56.2308 41.8858 177.2728 104 L 4.5044 7.7343 118.3053 54.6404 42.0656 177.4561 105 T 4.3640 7.5468 107.9885 62.3057 68.7148 174.8254 106 Q 4.7899 7.4284 121.0967 55.5787 30.3319 175.1585 107 M 4.2680 7.3611 122.3809 54.7084 34.6684 176.8237 *115 E 4.3722 8.8624 121.1622 57.7656 31.4648 177.0681 116 H 4.4400 8.2004 112.8907 56.9813 29.3369 175.7224 117 A 4.5491 7.8905 121.7364 53.3810 19.4148 179.3640 118 S 4.2164 7.8650 112.2147 61.3713 62.5404 176.7325 119 K 4.0782 8.0791 120.2205 59.7623 32.3806 177.8012 120 Y 4.4451 8.1116 115.7783 58.8438 38.4104 176.2254 121 L 4.8985 8.2339 119.7015 55.0935 42.9660 178.3722 122 A 4.1504 8.1425 121.1215 55.1764 18.3788 179.0939 123 F 4.4109 8.5621 118.7222 62.0194 39.5299 177.3315 124 T 4.1812 8.5097 114.8990 66.8458 68.3839 176.1472 125 C 4.3917 8.6802 118.9381 63.0262 28.2293 176.5408 126 G 3.6555 8.2667 107.0897 47.6853 0.0000 175.4805 127 L 4.1227 8.0620 121.9390 57.8240 41.7273 179.9048 128 I 3.6574 7.8516 119.3720 64.3275 37.0039 178.4297 129 R 4.0464 8.1124 119.7346 59.4720 29.8001 178.7849 130 G 2.5957 8.6019 105.9503 47.1914 0.0000 175.8871 131 G 3.4291 7.9251 108.1302 47.5444 0.0000 175.7721 132 L 3.9500 7.7628 121.8385 57.3011 41.5732 179.3495 133 S 4.4260 8.0997 114.7188 60.8559 62.1193 175.4861 134 N 4.6748 7.6185 115.3879 54.0615 38.5594 176.0589 135 L 4.5361 7.1565 119.2647 54.1457 42.0462 176.9999 136 G 3.9339 8.1841 107.1122 45.0684 0.0000 173.2248 137 I 4.5251 7.8273 120.7322 59.1490 40.0138 174.7705 138 K 4.6600 8.6283 126.4974 55.5258 33.5905 175.9114 139 S 5.1429 8.6082 117.9471 57.1351 66.6654 172.9578 140 I 4.6486 8.7018 121.1804 59.5412 39.9968 174.9845 141 V 5.0952 8.5102 125.5341 61.4331 34.1210 174.3871 142 T 4.9565 9.0063 116.9115 60.0852 72.4436 172.4075 143 A 5.0619 8.2592 121.8691 50.6559 22.2949 175.2976 144 E 4.5977 8.5736 116.7488 54.4640 33.7146 174.9275 145 V 3.9846 8.2301 121.5829 62.6288 31.4808 175.8367 146 S 4.1531 8.1017 125.8392 60.3183 63.3740 174.9274 147 S 4.3301 7.5719 119.6059 56.8927 64.4700 172.7555 148 M 3.9397 8.4506 124.3900 54.8081 32.2385 173.7986 149 P 4.9642 0.0000 0.0000 62.7276 33.1637 174.9454 150 A 4.7613 8.5199 123.0864 52.9513 19.5859 177.3012 151 C 5.0296 9.5381 117.9588 57.8782 33.2894 173.1869 152 K 4.9158 8.6355 121.2827 54.6355 34.9485 174.9693 153 F 5.0884 9.3015 124.3517 55.8343 41.3923 174.4088 154 Q 5.0171 9.3093 126.1437 54.5488 30.9033 174.1099 155 V 4.7803 8.8834 127.5434 61.5493 33.9256 174.2232 156 M 5.1637 8.9480 127.7643 53.3496 34.5890 174.8012 157 I 4.3603 9.0937 125.6050 60.9692 38.9273 175.0197 158 Q 4.5877 9.0072 130.7405 54.6183 30.8566 176.6709 *159 K 4.0961 8.5057 123.1007 54.9032 32.5005 174.2412 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 G 8.20 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 2 S 8.65 4.02 0.00 4.15 4.15 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 0.00 0.00 0.00 0.00 3 M 8.36 3.98 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.61 0.00 4 A 7.90 4.14 1.31 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 5 D 8.34 4.33 0.00 2.86 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 6 E 8.47 4.20 0.00 2.10 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 2.37 2.43 0.00 7 A 7.73 4.31 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 8 L 7.42 3.86 0.00 1.84 1.68 0.92 0.76 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 9 F 8.10 4.38 0.00 2.91 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 10 L 7.84 3.59 0.00 1.66 1.77 0.86 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.06 3.94 0.00 1.84 1.68 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.96 3.98 0.00 1.91 1.73 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 13 H 8.52 3.82 0.00 2.27 3.03 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.37 4.36 0.00 2.97 2.87 0.00 0.00 7.05 7.97 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 15 E 7.90 3.95 0.00 2.13 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 2.51 2.48 0.00 16 M 8.00 3.99 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.51 0.00 17 V 7.77 3.52 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 0.45 0.00 0.00 0.56 0.00 0.00 18 S 8.25 4.22 0.00 3.95 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 19 G 8.45 3.65 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 0.00 0.00 0.00 20 V 7.82 3.55 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 0.62 0.00 0.00 0.99 0.00 0.00 21 Y 8.15 3.95 0.00 3.11 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.43 3.99 0.00 1.83 1.95 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.51 7.81 23 S 8.06 4.51 0.00 3.97 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 24 A 7.02 4.02 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 25 E 8.75 4.32 0.00 2.07 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 2.30 2.55 0.00 26 Q 8.43 3.94 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.79 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 27 G 9.01 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 0.00 0.00 0.00 28 E 8.02 4.30 0.00 2.10 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 2.28 2.33 0.00 29 V 7.85 3.47 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 1.16 0.00 0.00 0.98 0.00 0.00 30 E 8.18 4.08 0.00 2.01 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 2.34 2.26 0.00 31 N 8.11 4.62 0.00 2.84 2.98 0.00 0.00 7.16 7.01 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 32 G 8.09 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.49 4.00 0.00 1.95 2.07 0.00 3.17 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 34 C 7.93 3.91 0.00 2.56 1.90 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 35 I 7.63 3.78 2.05 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.93 0.97 0.00 0.00 36 T 7.99 3.89 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 1.28 0.00 0.00 37 K 8.27 4.04 0.00 1.98 1.91 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.62 7.81 38 L 7.94 4.21 0.00 1.97 1.94 1.08 1.10 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 39 E 8.56 4.24 0.00 2.05 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 2.66 2.64 0.00 40 N 8.64 4.40 0.00 2.91 2.87 0.00 0.00 7.02 7.62 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 41 M 8.47 4.31 0.00 2.38 2.57 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.67 0.00 42 G 7.97 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.30 4.27 0.00 3.14 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 44 R 8.13 4.15 0.00 2.14 2.04 0.00 3.25 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.99 0.00 45 V 7.92 3.73 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.15 0.00 0.00 46 G 8.33 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.05 3.99 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.30 1.85 0.00 48 G 7.93 3.67 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 0.00 0.00 0.00 49 L 8.17 4.20 0.00 2.09 1.98 0.48 0.61 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 50 I 7.97 4.08 2.11 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.11 0.93 0.00 0.00 51 E 8.08 4.10 0.00 2.15 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 0.00 2.58 2.51 0.00 52 R 7.71 4.37 0.00 1.83 1.71 0.00 3.17 0.00 0.00 3.44 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 53 F 8.51 4.60 0.00 3.25 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 0.00 0.00 0.00 0.00 *63 E 9.11 4.33 0.00 2.05 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 2.38 2.34 0.00 64 L 7.87 3.98 0.00 1.88 1.68 1.02 1.31 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 65 D 8.07 4.35 0.00 2.78 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 66 I 7.67 3.70 1.97 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 1.53 0.75 0.82 0.00 0.00 67 M 7.68 3.87 0.00 1.55 1.80 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.37 0.00 68 K 8.30 3.93 0.00 1.79 1.86 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.59 7.81 69 F 8.13 4.16 0.00 3.08 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 70 I 7.70 3.46 1.88 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.71 0.90 0.00 0.00 71 C 8.18 4.12 0.00 3.04 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 72 K 7.90 4.48 0.00 1.97 1.59 0.00 1.55 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.43 7.81 73 D 8.42 4.35 0.00 2.00 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 74 F 7.17 3.74 0.00 2.18 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 75 W 8.42 4.23 0.00 3.80 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 76 T 8.36 4.24 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 77 T 7.75 3.77 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 1.03 0.00 0.00 78 V 6.91 3.16 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.96 0.00 0.00 0.07 0.00 0.00 79 F 8.26 4.80 0.00 2.91 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 80 K 8.27 4.56 0.00 1.98 1.94 0.00 1.74 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.37 1.51 7.81 81 K 7.50 4.55 0.00 1.90 1.98 0.00 1.44 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.62 1.70 7.81 82 Q 8.41 4.58 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.97 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 83 I 8.14 3.50 1.53 0.00 0.00 -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 -0.28 -0.21 0.75 0.00 0.00 84 D 8.38 4.57 0.00 2.73 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 85 N 7.86 4.85 0.00 2.77 2.57 0.00 0.00 6.67 6.66 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 86 L 8.60 5.13 0.00 1.59 1.51 0.94 0.84 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 87 R 9.03 4.75 0.00 1.88 1.70 0.00 3.07 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 88 T 8.19 4.73 3.84 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 1.17 0.00 0.00 89 N 8.92 4.52 0.00 2.70 2.70 0.00 0.00 6.94 8.16 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 90 H 7.56 4.80 0.00 3.12 3.06 0.00 5.85 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.64 3.83 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.86 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 92 G 9.63 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 93 I 7.44 5.02 1.84 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 1.19 1.44 0.93 0.00 0.00 94 Y 9.35 5.00 0.00 2.93 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 95 V 9.33 4.76 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 1.05 0.00 0.00 0.94 0.00 0.00 96 L 9.28 4.92 0.00 1.70 1.28 0.92 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 97 Q 8.73 4.94 0.00 2.09 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.25 0.00 98 D 9.04 5.12 0.00 2.91 2.79 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 99 N 10.03 4.70 0.00 2.83 2.89 0.00 0.00 6.75 8.05 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 0.00 100 K 7.92 4.51 0.00 1.72 1.71 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.39 7.81 101 F 9.48 4.60 0.00 3.17 3.12 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 0.00 102 R 8.24 3.78 0.00 1.85 1.73 0.00 3.51 0.00 0.00 3.33 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 103 L 6.54 3.97 0.00 1.48 1.62 0.64 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.73 4.50 0.00 1.90 1.67 1.09 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 105 T 7.55 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 1.27 0.00 0.00 106 Q 7.43 4.79 0.00 1.86 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 6.64 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 107 M 7.36 4.27 0.00 1.86 1.63 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 *115 E 8.86 4.37 0.00 1.92 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 2.29 2.34 0.00 116 H 8.20 4.44 0.00 3.18 3.37 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 A 7.89 4.55 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 0.00 118 S 7.86 4.22 0.00 3.95 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 0.00 119 K 8.08 4.08 0.00 1.85 1.91 0.00 1.03 0.00 0.00 0.61 0.00 0.00 2.24 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.29 0.75 7.81 120 Y 8.11 4.45 0.00 3.25 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 0.00 121 L 8.23 4.90 0.00 1.86 1.76 0.81 0.58 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 0.00 122 A 8.14 4.15 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 0.00 123 F 8.56 4.41 0.00 3.29 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 0.00 124 T 8.51 4.18 4.76 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 1.24 0.00 0.00 125 C 8.68 4.39 0.00 3.33 3.27 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 0.00 126 G 8.27 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 L 8.06 4.12 0.00 1.99 1.93 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 128 I 7.85 3.66 1.96 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 1.66 1.20 0.91 0.00 0.00 129 R 8.11 4.05 0.00 2.12 2.31 0.00 3.20 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.81 0.00 130 G 8.60 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 G 7.93 3.43 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 0.00 132 L 7.76 3.95 0.00 1.82 1.69 0.88 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.10 4.43 0.00 4.04 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 0.00 134 N 7.62 4.67 0.00 2.60 2.93 0.00 0.00 7.03 8.90 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 0.00 135 L 7.16 4.54 0.00 1.77 1.59 0.76 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 136 G 8.18 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 0.00 137 I 7.83 4.53 1.96 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 1.19 1.02 0.93 0.00 0.00 138 K 8.63 4.66 0.00 1.90 1.76 0.00 1.66 0.00 0.00 1.89 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.45 7.81 139 S 8.61 5.14 0.00 3.87 3.82 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 0.00 140 I 8.70 4.65 1.91 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 1.14 1.02 0.95 0.00 0.00 141 V 8.51 5.10 2.31 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 1.08 0.00 0.00 1.02 0.00 0.00 142 T 9.01 4.96 4.26 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 0.00 0.00 0.00 1.25 0.00 0.00 143 A 8.26 5.06 0.76 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 0.00 144 E 8.57 4.60 0.00 1.94 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 2.08 2.12 0.00 145 V 8.23 3.98 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 0.86 0.00 0.00 0.92 0.00 0.00 146 S 8.10 4.15 0.00 3.90 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 0.00 147 S 7.57 4.33 0.00 3.93 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 0.00 148 M 8.45 3.94 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.64 0.00 149 P 0.00 4.96 0.00 2.21 2.25 0.00 3.77 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 2.04 1.97 0.00 150 A 8.52 4.76 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 0.00 151 C 9.54 5.03 0.00 2.49 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 0.00 0.00 0.00 152 K 8.64 4.92 0.00 1.53 1.60 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.30 7.81 153 F 9.30 5.09 0.00 2.98 3.05 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 0.00 154 Q 9.31 5.02 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 155 V 8.88 4.78 2.24 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 1.05 0.00 0.00 1.00 0.00 0.00 156 M 8.95 5.16 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.46 0.00 157 I 9.09 4.36 1.95 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 0.66 1.12 0.00 0.00 158 Q 9.01 4.59 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.32 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 *159 K 8.51 4.10 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.