NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 Y 4.5433 8.1029 119.1519 56.4717 37.6533 175.8598 4 L 4.0507 8.1422 131.2166 58.1079 41.1631 175.7336 5 G 3.9223 8.2792 105.3072 47.3532 0.0000 175.1772 6 K 3.8947 7.6617 122.1207 59.5168 32.3664 178.3125 7 E 3.9315 8.1884 119.0494 59.5952 29.4184 177.9755 8 L 3.8955 8.4374 120.6669 57.8623 42.0294 178.4198 9 Q 3.9635 8.3646 121.4306 59.9872 29.1278 180.2594 10 K 3.9407 7.9378 123.8892 59.9762 31.6232 180.6239 11 R 4.1361 7.9878 119.6464 59.6453 30.0630 179.4199 12 S 4.1932 8.2969 114.2805 61.2765 62.6439 176.4460 13 E 4.0508 8.2019 123.1617 58.9631 29.2179 178.7355 14 E 3.8991 8.2581 118.1963 57.9154 29.5110 178.6186 15 L 3.9706 7.3475 120.0504 58.6863 42.3471 178.3418 16 S 4.3319 8.0187 111.6873 61.5880 62.7649 176.0549 17 R 4.7034 8.5338 122.3502 57.6388 29.5497 178.7959 18 G 3.8328 7.5202 105.7430 48.0997 0.0000 174.7726 19 F 4.1767 8.4193 123.1123 61.2459 39.1808 176.7596 20 Y 4.0858 8.2171 115.3288 60.6088 37.6470 177.2469 21 E 4.2363 8.2306 118.0822 58.0953 29.5972 178.6108 22 L 4.1481 7.3495 119.2835 57.2777 42.1202 179.0921 23 V 3.5754 6.9115 110.6623 63.5238 32.3109 176.4716 24 Y 4.2027 6.8942 118.1818 57.5633 39.1712 174.0273 25 P 3.4630 0.0000 0.0000 60.1256 32.4300 174.1893 26 P 4.4304 0.0000 0.0000 63.2111 32.4478 175.2244 27 V 4.7017 8.1503 120.7487 61.4196 34.6963 173.9251 28 D 5.1940 9.2383 127.0573 52.9444 43.8767 174.9616 29 M 5.3595 8.4942 120.5959 54.4985 35.5710 173.2100 30 Y 4.9181 8.4261 122.1779 56.3326 42.2592 172.4511 31 E 5.3257 8.8730 120.9637 54.4423 31.7648 174.8351 32 E 4.7072 9.5431 123.8113 56.2573 32.7343 175.4612 33 G 3.9806 9.8352 108.5734 46.5893 0.0000 174.1787 34 G 3.7597 8.3719 105.7742 45.3140 0.0000 172.6751 35 Y 4.8795 8.2065 116.9135 55.7357 41.8962 174.9799 36 L 4.7708 9.2836 125.5030 53.8733 43.1303 175.2330 37 V 4.4482 8.2955 127.5897 61.7656 33.4435 174.8946 38 V 4.6319 8.8502 126.7561 61.1511 34.5800 174.1053 39 V 4.9324 8.9344 128.2621 61.0575 34.2007 174.0533 40 A 5.1088 8.9861 129.3605 48.7539 22.3650 174.4174 41 D 4.6366 8.8500 122.4189 54.0511 40.9675 176.6272 42 L 5.0074 8.2478 127.6719 53.4502 40.7354 176.3182 43 A 4.2624 8.6950 122.9711 53.1888 20.0655 177.8785 44 G 3.9759 8.9054 107.9085 46.7104 0.0000 173.0475 45 F 4.7742 8.4549 114.8235 55.3842 43.7088 174.9082 46 N 4.6546 8.7143 121.5975 52.7926 39.2144 175.7994 47 K 3.8107 9.0052 126.7383 59.7116 32.3003 177.6814 48 E 4.2905 8.1431 115.1855 57.5558 29.9832 176.8319 49 K 4.6824 8.4606 119.1295 56.0054 33.6509 175.2889 50 I 4.8586 7.4210 120.0687 59.5001 39.5288 175.2235 51 K 4.7991 9.0194 125.6846 54.8011 36.3729 174.9230 52 A 5.5296 8.5333 119.6391 52.6870 21.8384 175.6340 53 R 4.5562 8.1310 115.6081 55.4436 33.1640 173.4136 54 V 4.6053 8.2024 119.6548 61.3871 33.4683 175.1546 55 S 4.2533 9.7124 124.8053 56.6396 62.5888 174.0419 56 G 3.9821 9.1563 119.4121 46.7460 0.0000 172.9827 57 Q 3.8302 7.9395 114.3875 56.3117 28.1544 174.8334 58 N 4.9465 8.1192 113.6824 52.5765 41.6739 173.1385 59 E 5.0334 8.0328 116.9011 54.4597 32.9111 174.4539 60 L 4.6490 8.5986 128.3954 54.7875 43.5239 175.4575 61 I 4.8579 9.1165 127.9339 59.6983 39.5862 174.5475 62 I 4.8612 8.6366 128.4268 59.5647 39.7263 174.7241 63 E 5.1058 9.3844 125.1202 54.7608 34.1300 174.5486 64 A 5.4313 8.3753 123.4159 51.2183 22.9274 174.8460 65 E 5.9800 9.2413 122.2245 53.6466 33.1291 174.4671 66 R 4.8151 8.7592 122.4015 55.6836 33.2406 174.1520 67 E 4.4854 8.5828 115.1159 54.4223 30.9627 174.5267 68 I 4.3956 8.1991 124.1464 58.6432 38.6613 174.7094 69 T 4.5455 8.3410 115.1740 59.4479 70.4359 173.4434 70 E 4.8550 8.4120 123.3257 53.2778 33.6462 176.2991 71 P 4.6365 0.0000 0.0000 62.3812 30.5944 176.9934 72 G 3.8920 8.5018 118.0879 45.2798 0.0000 171.9819 73 V 2.8794 8.1038 115.3135 63.5075 29.4598 174.1818 74 K 3.9760 7.5539 117.8540 57.1388 32.4688 177.0869 75 Y 4.3601 8.6202 122.0757 59.6029 38.6078 176.1437 76 L 4.8973 7.8644 117.5053 53.1497 44.4203 177.1027 77 T 4.5684 8.1156 112.1393 59.8388 68.7514 173.5278 78 Q 4.2316 7.9168 128.1024 57.8793 30.5544 176.7552 79 R 3.7115 7.6422 116.4027 55.5701 30.4657 174.8200 80 P 4.5336 0.0000 0.0000 62.8366 32.4366 175.9309 81 K 4.4818 9.1786 120.4425 57.8424 34.1369 175.7283 82 Y 5.4844 8.2609 119.4339 55.7914 41.0592 174.9852 83 V 4.1772 8.2599 125.4550 61.0304 35.2117 174.1664 84 R 4.2789 8.2018 126.9103 54.6140 32.2365 173.2820 85 K 4.4151 8.8015 128.7502 54.5169 34.3306 174.8665 86 V 4.6356 8.3717 127.4211 61.3948 33.2500 174.4140 87 I 4.4847 8.6398 129.6561 59.3692 39.8659 174.9250 88 R 4.5188 8.5067 127.4103 55.7903 30.0187 175.4054 89 L 4.3949 9.1409 127.6281 53.3042 42.4937 176.6452 90 P 4.1381 0.0000 0.0000 64.7836 31.4681 175.2895 91 Y 4.9301 6.9895 114.2456 56.0098 41.8921 173.8844 92 N 5.2123 8.5090 117.6792 51.3693 39.9710 175.4666 93 V 3.8371 8.5270 124.1027 62.6275 32.3849 175.1961 94 A 4.0111 8.7134 129.0952 52.0043 19.0410 177.2787 95 K 3.7142 8.8115 123.5234 58.2376 32.9729 175.4680 96 D 4.3396 8.6893 119.7597 55.1309 38.0018 174.0672 97 A 4.3005 7.9991 121.8437 52.7462 19.7558 178.2584 98 E 4.7583 8.2086 112.6084 54.9756 30.4760 179.3349 99 I 4.3004 7.5927 121.4549 62.1162 37.0381 177.9047 100 S 4.6381 8.6585 122.5962 57.6668 65.1552 173.5280 101 G 4.5931 8.3230 106.6414 44.8946 0.0000 172.1728 102 K 4.7795 9.2710 122.5128 54.4010 35.8789 174.6546 103 Y 5.3239 8.8366 125.7690 55.8907 40.4884 174.2426 104 E 4.3239 8.2436 123.7070 55.4273 32.8215 175.0943 105 N 4.1993 9.5122 117.1082 54.5472 37.5800 175.3837 106 G 3.9624 7.6466 105.3495 44.7274 0.0000 173.5179 107 V 4.3424 7.4913 121.1328 61.7913 32.9492 174.4729 108 L 5.0729 8.9185 131.0312 54.6310 43.4461 175.2070 109 T 5.1183 9.0848 123.2365 61.8362 72.0412 173.3591 110 I 4.8779 8.8597 126.0401 59.7799 40.8895 174.4078 111 R 4.7006 8.7538 127.2352 54.8593 31.9754 175.7444 112 I 4.7231 8.4908 124.8303 58.4454 40.6815 172.9338 113 P 4.4126 0.0000 0.0000 62.8192 32.0508 175.6884 114 I 4.1382 7.6416 126.5077 60.7335 37.5060 176.1547 115 A 3.5737 7.7559 128.1265 53.1664 18.5004 177.4894 116 G 3.5691 9.7007 109.7365 45.8483 0.0000 171.8330 117 T 4.4349 6.6565 114.5261 63.7350 75.3499 174.9007 118 S 4.2477 7.5737 125.6992 58.1414 64.1397 175.1903 119 V 4.2112 8.0729 126.2106 60.3755 33.3642 171.5866 120 F 4.6189 8.6136 115.8556 60.4089 41.4106 169.2554 121 K 3.3413 7.9160 135.0000 55.5548 33.8490 173.7081 122 F 4.5168 8.9903 129.2372 58.5893 37.8169 175.1137 123 E 3.0819 8.7694 116.7665 56.2046 29.0910 177.4094 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 Y 8.10 4.54 0.00 2.26 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 4 L 8.14 4.05 0.00 1.73 1.70 0.92 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.28 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 K 7.66 3.89 0.00 1.81 2.04 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.43 7.81 7 E 8.19 3.93 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 8 L 8.44 3.90 0.00 2.01 1.73 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.36 3.96 0.00 2.20 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 10 K 7.94 3.94 0.00 1.84 1.80 0.00 1.89 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.36 7.81 11 R 7.99 4.14 0.00 2.03 2.05 0.00 3.27 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.85 0.00 12 S 8.30 4.19 0.00 3.99 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 13 E 8.20 4.05 0.00 2.26 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 2.33 2.35 0.00 14 E 8.26 3.90 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 15 L 7.35 3.97 0.00 1.77 1.86 0.96 0.93 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 16 S 8.02 4.33 0.00 4.04 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 17 R 8.53 4.70 0.00 1.98 2.04 0.00 3.25 0.00 0.00 3.50 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.78 0.00 18 G 7.52 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 8.42 4.18 0.00 3.09 2.94 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 20 Y 8.22 4.09 0.00 3.20 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.23 4.24 0.00 2.15 2.20 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 2.55 2.67 0.00 22 L 7.35 4.15 0.00 1.48 1.47 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 23 V 6.91 3.58 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 0.21 0.00 0.00 0.48 0.00 0.00 24 Y 6.89 4.20 0.00 2.97 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 25 P 0.00 3.46 0.00 1.71 1.37 0.00 3.55 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 26 P 0.00 4.43 0.00 2.10 2.20 0.00 2.92 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 27 V 8.15 4.70 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 0.81 0.00 0.00 0.91 0.00 0.00 28 D 9.24 5.19 0.00 2.67 2.66 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 29 M 8.49 5.36 0.00 1.98 1.86 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 30 Y 8.43 4.92 0.00 3.07 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 31 E 8.87 5.33 0.00 2.12 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 2.26 2.47 0.00 32 E 9.54 4.71 0.00 2.26 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 0.00 2.28 2.35 0.00 33 G 9.84 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 34 G 8.37 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.21 4.88 0.00 2.93 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 36 L 9.28 4.77 0.00 1.80 1.68 0.99 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.30 4.45 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 0.00 0.00 0.65 0.00 0.00 0.68 0.00 0.00 38 V 8.85 4.63 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 0.92 0.00 0.00 0.88 0.00 0.00 39 V 8.93 4.93 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 0.98 0.00 0.00 1.03 0.00 0.00 40 A 8.99 5.11 1.10 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 0.00 0.00 41 D 8.85 4.64 0.00 2.51 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 42 L 8.25 5.01 0.00 1.53 1.63 0.61 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.69 4.26 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 G 8.91 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 45 F 8.45 4.77 0.00 2.95 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 46 N 8.71 4.65 0.00 2.82 2.75 0.00 0.00 6.58 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 9.01 3.81 0.00 1.96 1.87 0.00 1.85 0.00 0.00 2.00 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.52 7.81 48 E 8.14 4.29 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 2.33 2.35 0.00 49 K 8.46 4.68 0.00 1.89 2.05 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.43 7.81 50 I 7.42 4.86 1.82 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.58 0.70 0.00 0.00 51 K 9.02 4.80 0.00 1.61 1.64 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.34 7.81 52 A 8.53 5.53 1.14 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 0.00 0.00 53 R 8.13 4.56 0.00 1.82 1.99 0.00 3.25 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 54 V 8.20 4.61 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 0.81 0.00 0.00 0.93 0.00 0.00 55 S 9.71 4.25 0.00 3.87 3.85 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 56 G 9.16 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 57 Q 7.94 3.83 0.00 2.31 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.64 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 58 N 8.12 4.95 0.00 2.90 2.71 0.00 0.00 6.80 7.47 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 59 E 8.03 5.03 0.00 1.90 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 2.26 2.25 0.00 60 L 8.60 4.65 0.00 1.79 1.52 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 61 I 9.12 4.86 1.85 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 1.21 0.82 0.89 0.00 0.00 62 I 8.64 4.86 1.75 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.62 0.77 0.00 0.00 63 E 9.38 5.11 0.00 1.81 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 0.00 2.19 2.22 0.00 64 A 8.38 5.43 0.36 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 65 E 9.24 5.98 0.00 2.16 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 2.31 2.22 0.00 66 R 8.76 4.82 0.00 1.55 1.44 0.00 2.58 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.43 0.00 67 E 8.58 4.49 0.00 2.00 1.77 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 2.16 1.88 0.00 68 I 8.20 4.40 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.02 0.87 0.00 0.00 69 T 8.34 4.55 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 1.20 0.00 0.00 70 E 8.41 4.85 0.00 2.02 1.89 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 2.14 2.27 0.00 71 P 0.00 4.64 0.00 2.05 1.63 0.00 3.64 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 2.02 2.09 0.00 72 G 8.50 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.10 2.88 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 0.34 0.00 0.00 0.86 0.00 0.00 74 K 7.55 3.98 0.00 1.69 1.72 0.00 1.78 0.00 0.00 1.67 0.00 0.00 3.36 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.35 7.81 75 Y 8.62 4.36 0.00 2.98 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 76 L 7.86 4.90 0.00 1.61 1.53 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.12 4.57 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 1.20 0.00 0.00 78 Q 7.92 4.23 0.00 1.74 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 7.10 0.00 0.00 0.00 0.00 0.00 2.37 2.27 0.00 79 R 7.64 3.71 0.00 1.68 1.74 0.00 3.12 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.50 0.00 80 P 0.00 4.53 0.00 2.22 2.11 0.00 3.42 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.16 0.00 81 K 9.18 4.48 0.00 1.83 1.91 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.40 7.81 82 Y 8.26 5.48 0.00 2.90 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 83 V 8.26 4.18 1.88 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 0.92 0.00 0.00 1.07 0.00 0.00 84 R 8.20 4.28 0.00 1.23 1.56 0.00 3.40 0.00 0.00 3.18 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.55 0.00 85 K 8.80 4.42 0.00 1.78 1.53 0.00 1.45 0.00 0.00 1.47 0.00 0.00 2.85 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.25 1.33 7.81 86 V 8.37 4.64 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 0.85 0.00 0.00 0.90 0.00 0.00 87 I 8.64 4.48 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.80 0.88 0.00 0.00 88 R 8.51 4.52 0.00 1.77 1.80 0.00 3.27 0.00 0.00 3.46 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 89 L 9.14 4.39 0.00 1.67 1.57 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 4.14 0.00 1.32 1.67 0.00 3.55 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.97 0.00 91 Y 6.99 4.93 0.00 3.11 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.51 5.21 0.00 2.68 2.76 0.00 0.00 7.25 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 93 V 8.53 3.84 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 0.81 0.00 0.00 0.95 0.00 0.00 94 A 8.71 4.01 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 95 K 8.81 3.71 0.00 1.73 1.75 0.00 1.94 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.49 7.81 96 D 8.69 4.34 0.00 2.88 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 97 A 8.00 4.30 1.28 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 0.00 0.00 98 E 8.21 4.76 0.00 1.94 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 2.11 1.86 0.00 99 I 7.59 4.30 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 1.42 0.96 0.97 0.00 0.00 100 S 8.66 4.64 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 0.00 101 G 8.32 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 0.00 0.00 0.00 0.00 102 K 9.27 4.78 0.00 1.67 1.69 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.76 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.34 7.81 103 Y 8.84 5.32 0.00 2.87 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 0.00 104 E 8.24 4.32 0.00 2.02 1.88 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 2.12 2.16 0.00 105 N 9.51 4.20 0.00 2.80 2.84 0.00 0.00 7.12 7.98 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 0.00 106 G 7.65 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 0.00 107 V 7.49 4.34 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 0.93 0.00 0.00 1.00 0.00 0.00 108 L 8.92 5.07 0.00 1.92 1.68 0.91 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 109 T 9.08 5.12 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 1.21 0.00 0.00 110 I 8.86 4.88 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.67 0.89 0.00 0.00 111 R 8.75 4.70 0.00 1.70 1.71 0.00 2.82 0.00 0.00 3.04 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 112 I 8.49 4.72 1.97 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 1.09 0.93 0.00 0.00 113 P 0.00 4.41 0.00 2.09 2.30 0.00 3.76 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 2.10 2.14 0.00 114 I 7.64 4.14 1.72 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.50 0.55 0.00 0.00 115 A 7.76 3.57 1.24 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 0.00 0.00 116 G 9.70 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 T 6.66 4.43 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 0.86 0.00 0.00 118 S 7.57 4.25 0.00 3.83 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 0.00 119 V 8.07 4.21 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 0.78 0.00 0.00 0.93 0.00 0.00 120 F 8.61 4.62 0.00 2.90 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 0.00 121 K 7.92 3.34 0.00 0.79 1.40 0.00 1.54 0.00 0.00 1.42 0.00 0.00 2.73 0.00 0.00 2.36 0.00 0.00 0.00 0.00 1.10 1.28 7.81 122 F 8.99 4.52 0.00 2.88 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 0.00 123 E 8.77 3.08 0.00 1.54 1.21 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 2.17 2.20 0.00 * Residues marked with a * may have inaccurate shift predictions.