NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2644 8.2985 120.2511 56.2172 30.6980 176.2909 2 A 4.0146 8.5758 126.5223 53.4121 18.8386 176.4451 3 A 4.1109 7.9646 117.7876 53.7480 20.6492 175.7266 4 V 4.6370 7.6264 116.1740 61.8221 32.5885 175.5736 5 T 4.7058 8.9662 118.9616 60.0768 71.2531 173.2034 6 Q 5.2880 8.8368 124.4950 54.4840 31.7438 175.0094 7 S 4.6786 8.9395 115.8978 56.5377 66.0159 172.3558 8 P 4.8755 0.0000 0.0000 61.6618 33.6615 174.8562 9 R 4.4465 8.3960 116.8082 58.3615 31.3671 176.1495 10 N 5.5571 8.0113 114.8939 51.2444 42.3110 174.1248 11 K 4.6064 9.2218 124.2440 54.7387 36.1076 174.7288 12 V 4.9439 8.5447 126.2314 61.0836 33.7823 174.2711 13 A 5.0008 9.1599 128.5351 50.2575 22.8677 175.3144 14 V 4.5830 8.2875 112.1342 59.9293 34.1895 176.3230 15 T 4.0900 8.0600 120.1244 65.4628 68.6029 175.2836 16 G 4.2875 9.3203 115.1388 44.4753 0.0000 173.1135 17 E 3.9945 8.0441 121.0060 56.5197 30.8610 175.9548 18 K 4.8722 8.4823 127.4508 54.9401 32.9862 175.5792 19 V 4.3331 8.6444 128.4576 61.3529 34.1396 174.5997 20 T 4.7148 8.2148 123.1261 61.6366 71.2266 173.3043 21 L 4.2156 8.3045 127.7346 54.2701 43.1683 176.4733 22 S 5.3234 8.9617 119.2630 56.9701 66.1718 172.3515 23 C 5.5937 8.9210 122.0109 54.8876 47.1838 172.1294 24 N 5.7927 9.1430 123.3810 51.8599 42.0724 172.8407 25 Q 5.6450 9.3045 123.6532 53.1569 31.4592 175.3689 26 T 4.6360 8.4579 114.3391 61.7316 69.0978 174.9486 27 N 4.3841 8.5162 118.6553 53.7403 39.2056 174.7035 28 N 4.1853 7.9085 115.2470 54.7864 37.3828 173.2410 29 H 4.9121 8.0632 111.9407 54.5792 30.4451 175.5042 30 N 4.5583 8.6699 119.4680 55.4373 39.3728 175.0640 31 N 5.6148 7.7591 116.1600 52.0395 40.1963 174.6921 32 M 5.2646 7.7849 121.5598 53.8386 36.7889 173.7637 33 Y 5.5794 9.6281 118.7714 56.3043 43.3927 174.6645 34 W 5.6100 9.3519 119.6824 55.8638 32.7986 174.4850 35 Y 5.4346 10.2513 123.7402 56.2548 41.2196 175.1162 36 R 5.1033 9.1143 116.3300 54.6997 33.2745 173.9121 37 Q 4.9826 9.3745 123.3228 53.8865 32.4619 175.0190 38 D 5.1805 8.4535 127.1391 52.9074 39.9024 176.1614 39 T 4.2609 8.4848 104.7410 63.4214 70.2714 173.9271 40 G 3.9777 8.4554 108.8000 46.6545 0.0000 174.6400 41 H 4.7464 7.3651 118.3463 54.8306 28.3944 174.6371 42 E 4.0321 8.8576 126.8155 57.8879 30.0904 176.9128 43 L 4.8016 8.4312 126.1811 53.9056 43.2248 176.0363 44 R 4.8563 9.1485 122.8996 54.0143 33.5012 175.1700 45 L 3.6303 8.5105 125.4261 55.5164 43.0852 176.2151 46 I 4.1605 8.9211 126.5053 62.8188 39.2609 175.0857 47 Y 5.2660 7.7823 117.8279 57.0210 42.7661 173.1427 48 Y 5.3847 8.9714 119.7996 56.1569 42.6479 173.5506 49 S 4.3859 8.0880 112.6387 57.3562 65.5029 174.6741 50 Y 4.4182 8.7009 124.2974 58.5638 38.2817 175.5840 51 G 4.1219 7.1677 107.3521 43.9300 0.0000 171.2216 52 A 4.1734 8.0361 122.4209 53.9857 18.4256 178.2312 53 G 3.9771 9.0905 111.9545 44.9468 0.0000 173.2971 54 S 4.6981 7.7601 114.6373 57.5639 63.7430 174.0638 55 T 4.5970 8.3376 122.8723 62.6039 71.7455 172.8015 56 E 4.5632 8.8307 126.6553 53.8285 32.6682 176.1077 57 K 2.9510 8.5076 123.9955 55.4994 32.5615 177.3553 58 G 4.2012 8.4425 118.8796 47.1324 0.0000 175.2907 59 D 4.7992 8.9371 122.4884 54.7139 41.8169 177.0630 60 I 4.6587 7.1816 110.3480 58.6720 37.0507 173.2226 61 P 4.6106 0.0000 0.0000 64.0604 32.4569 177.0352 62 D 4.3693 7.9867 120.5251 56.0200 41.0340 176.5399 63 G 3.6494 8.7741 113.0277 45.4117 0.0000 172.0622 *65 Y 5.1483 7.2306 115.4605 58.0193 39.3218 174.2943 66 K 4.5839 8.7861 121.5244 54.7523 36.2748 174.6432 67 A 4.8445 7.6870 124.6691 50.4536 23.0436 175.4456 68 S 4.3787 8.5662 112.9840 57.0903 66.1225 173.8114 69 R 5.4421 8.7410 128.5289 53.0536 28.4301 173.9465 70 P 4.2766 0.0000 0.0000 65.0667 31.9433 176.7908 71 S 4.5747 7.4617 110.1266 56.8265 65.8358 172.7230 72 Q 4.0291 8.8725 120.4296 59.6407 28.9452 177.4877 73 E 4.4365 8.1081 113.2890 56.4730 30.3545 174.6358 74 N 5.8888 7.8362 117.4703 50.7456 41.4854 173.2545 75 F 5.5569 8.9653 125.3667 56.7702 42.9020 173.0096 76 S 5.1774 8.9653 121.4822 56.4596 65.8179 172.6671 77 L 4.4619 7.7576 124.8407 53.5020 44.1091 175.0277 78 T 4.8823 8.6621 122.1853 61.6970 72.3456 172.9481 79 L 4.6485 8.9287 127.0180 53.1755 42.6098 176.8186 80 E 3.7949 8.7126 126.6738 59.0312 31.1558 175.9361 81 S 4.9067 8.1049 114.6856 55.7888 64.6236 172.3730 82 A 4.4481 8.9212 128.5194 52.0071 19.4280 176.0674 83 T 4.7787 8.4089 114.4030 59.7828 70.8327 172.8145 84 P 3.9226 0.0000 0.0000 65.7290 31.5600 178.4748 85 S 4.2343 7.6460 111.0169 60.5364 62.9906 174.9108 86 Q 4.4879 8.7502 120.1985 56.0975 29.0158 175.1815 87 T 4.2005 7.9242 114.6607 62.1196 67.8330 173.1883 88 S 4.5706 8.3837 122.3985 58.4173 67.4573 174.8166 89 V 4.6202 7.9441 121.6892 61.6110 32.9114 174.0193 90 Y 5.1135 9.1351 126.6648 56.7973 39.8016 174.6658 91 F 5.6142 9.7589 123.0274 55.9193 42.6015 173.3840 92 C 5.0008 9.6437 122.8748 54.7369 44.3350 172.3549 93 A 5.2337 8.7596 125.7407 50.2987 22.6680 174.9008 94 S 5.3096 8.6439 113.3480 56.9498 67.1111 173.1690 95 G 4.2769 9.0257 104.5530 45.3654 0.0000 174.3430 96 G 4.0719 8.7442 111.8829 44.7107 0.0000 173.9991 97 G 3.9144 8.1901 107.5247 47.0333 0.0000 172.6729 98 G 3.7908 8.5762 113.1266 45.5173 0.0000 176.2425 *105 T 4.0782 8.4234 114.9297 62.9969 69.5047 172.5079 106 L 4.6775 7.9116 124.0527 53.0473 44.3208 175.2659 107 Y 4.7544 8.7380 121.1685 56.3595 40.2854 175.2205 108 F 5.1440 9.2021 123.0129 56.3067 40.1873 175.8444 109 G 4.1399 9.1527 109.2311 45.0759 0.0000 174.8208 110 A 4.3372 8.7138 122.3200 53.5676 18.5598 178.3979 111 G 3.6322 8.2376 101.5941 45.1315 0.0000 173.3261 112 T 4.6596 8.3483 114.8790 61.6869 72.4860 173.4323 113 R 4.5603 9.2436 129.0842 55.4621 31.5242 174.7581 114 L 5.2409 8.9014 128.8634 53.4513 44.9506 175.1169 115 S 5.1119 9.0147 122.0816 56.6583 66.4170 173.3133 116 V 4.7702 8.3419 123.0644 61.1478 33.0534 174.5151 117 L 4.5309 8.8583 131.5980 53.9784 43.7472 176.8830 118 S 5.0724 8.4460 118.1687 58.0476 63.3033 173.8933 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 E 8.30 4.26 0.00 2.08 1.95 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 1.98 1.47 0.00 2 A 8.58 4.01 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 3 A 7.96 4.11 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 4 V 7.63 4.64 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 0.84 0.00 0.00 1.00 0.00 0.00 5 T 8.97 4.71 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 1.23 0.00 0.00 6 Q 8.84 5.29 0.00 2.05 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 7 S 8.94 4.68 0.00 3.90 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 8 P 0.00 4.88 0.00 2.22 2.07 0.00 3.79 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 9 R 8.40 4.45 0.00 1.99 1.97 0.00 3.36 0.00 0.00 3.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 10 N 8.01 5.56 0.00 2.59 2.66 0.00 0.00 6.58 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 11 K 9.22 4.61 0.00 1.78 1.54 0.00 1.44 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.26 1.38 7.81 12 V 8.54 4.94 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 0.90 0.00 0.00 0.93 0.00 0.00 13 A 9.16 5.00 1.15 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 0.00 0.00 14 V 8.29 4.58 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 0.68 0.00 0.00 0.94 0.00 0.00 15 T 8.06 4.09 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 1.25 0.00 0.00 16 G 9.32 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 17 E 8.04 3.99 0.00 2.11 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 2.26 2.24 0.00 18 K 8.48 4.87 0.00 1.75 1.66 0.00 1.57 0.00 0.00 2.24 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.20 7.81 19 V 8.64 4.33 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 0.75 0.00 0.00 0.85 0.00 0.00 20 T 8.21 4.71 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 1.12 0.00 0.00 21 L 8.30 4.22 0.00 0.61 1.26 -0.09 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.96 5.32 0.00 3.84 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 23 C 8.92 5.59 0.00 2.85 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 24 N 9.14 5.79 0.00 2.97 2.61 0.00 0.00 6.56 6.89 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 25 Q 9.30 5.64 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.22 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 26 T 8.46 4.64 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 1.20 0.00 0.00 27 N 8.52 4.38 0.00 2.54 2.17 0.00 0.00 7.08 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 28 N 7.91 4.19 0.00 2.80 2.87 0.00 0.00 7.03 7.89 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 29 H 8.06 4.91 0.00 3.37 3.32 0.00 5.72 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.67 4.56 0.00 2.81 3.08 0.00 0.00 6.98 6.92 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 31 N 7.76 5.61 0.00 2.80 2.43 0.00 0.00 6.42 7.51 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 32 M 7.78 5.26 0.00 1.84 1.32 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 2.47 2.52 0.00 33 Y 9.63 5.58 0.00 3.02 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 34 W 9.35 5.61 0.00 3.50 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 35 Y 10.25 5.43 0.00 3.21 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 36 R 9.11 5.10 0.00 1.27 1.49 0.00 2.59 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 37 Q 9.37 4.98 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.97 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 38 D 8.45 5.18 0.00 2.77 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 39 T 8.48 4.26 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 1.23 0.00 0.00 40 G 8.46 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 41 H 7.37 4.75 0.00 3.17 3.13 0.00 5.87 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.86 4.03 0.00 1.99 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 2.34 2.37 0.00 43 L 8.43 4.80 0.00 1.47 1.71 0.60 0.34 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 44 R 9.15 4.86 0.00 1.75 1.84 0.00 3.16 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.59 0.00 45 L 8.51 3.63 0.00 1.34 1.39 0.40 0.83 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 46 I 8.92 4.16 2.02 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.50 0.58 0.00 0.00 47 Y 7.78 5.27 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 48 Y 8.97 5.38 0.00 2.51 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 49 S 8.09 4.39 0.00 3.12 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 50 Y 8.70 4.42 0.00 3.01 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 51 G 7.17 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 52 A 8.04 4.17 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 53 G 9.09 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 54 S 7.76 4.70 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 55 T 8.34 4.60 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 56 E 8.83 4.56 0.00 1.16 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 1.68 1.66 0.00 57 K 8.51 2.95 0.00 1.45 1.42 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.10 1.36 7.81 58 G 8.44 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.94 4.80 0.00 2.62 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 60 I 7.18 4.66 1.97 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 1.64 0.68 0.95 0.00 0.00 61 P 0.00 4.61 0.00 2.06 1.96 0.00 3.78 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 1.96 1.87 0.00 62 D 7.99 4.37 0.00 2.71 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 63 G 8.77 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 *65 Y 7.23 5.15 0.00 3.31 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 66 K 8.79 4.58 0.00 1.72 1.46 0.00 1.46 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.15 1.29 7.81 67 A 7.69 4.84 0.50 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 0.00 0.00 68 S 8.57 4.38 0.00 3.87 3.64 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 69 R 8.74 5.44 0.00 2.07 1.84 0.00 3.68 0.00 0.00 2.98 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 70 P 0.00 4.28 0.00 2.24 2.21 0.00 4.16 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 71 S 7.46 4.57 0.00 4.01 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 72 Q 8.87 4.03 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.03 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 73 E 8.11 4.44 0.00 2.25 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 0.00 2.34 2.28 0.00 74 N 7.84 5.89 0.00 2.81 2.81 0.00 0.00 6.56 8.01 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 75 F 8.97 5.56 0.00 2.97 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 76 S 8.97 5.18 0.00 3.96 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 77 L 7.76 4.46 0.00 0.27 0.13 0.64 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.66 4.88 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 79 L 8.93 4.65 0.00 1.46 1.45 0.81 0.70 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 E 8.71 3.79 0.00 2.02 1.87 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 2.33 2.33 0.00 81 S 8.10 4.91 0.00 3.83 3.61 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 82 A 8.92 4.45 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 83 T 8.41 4.78 4.20 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 1.21 0.00 0.00 84 P 0.00 3.92 0.00 2.22 2.13 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 85 S 7.65 4.23 0.00 4.02 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 86 Q 8.75 4.49 0.00 2.24 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 7.04 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 87 T 7.92 4.20 4.38 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 1.34 0.00 0.00 88 S 8.38 4.57 0.00 4.00 3.49 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 89 V 7.94 4.62 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 0.54 0.00 0.00 0.96 0.00 0.00 90 Y 9.14 5.11 0.00 3.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 9.76 5.61 0.00 3.29 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 92 C 9.64 5.00 0.00 1.23 2.58 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 93 A 8.76 5.23 0.25 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 94 S 8.64 5.31 0.00 3.97 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 95 G 9.03 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.74 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 G 8.19 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 0.00 0.00 0.00 98 G 8.58 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *105 T 8.42 4.08 4.04 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 0.41 0.00 0.00 106 L 7.91 4.68 0.00 1.21 1.16 0.56 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.74 4.75 0.00 2.86 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 0.00 108 F 9.20 5.14 0.00 2.80 3.01 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 0.00 109 G 9.15 4.14 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 0.00 110 A 8.71 4.34 1.38 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 0.00 0.00 111 G 8.24 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 T 8.35 4.66 4.36 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 1.28 0.00 0.00 113 R 9.24 4.56 0.00 1.86 2.01 0.00 3.21 0.00 0.00 3.12 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 114 L 8.90 5.24 0.00 1.75 1.63 0.89 0.72 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 0.00 115 S 9.01 5.11 0.00 3.81 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 0.00 116 V 8.34 4.77 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 0.75 0.00 0.00 0.94 0.00 0.00 117 L 8.86 4.53 0.00 1.79 1.64 0.92 0.59 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 0.00 118 S 8.45 5.07 0.00 4.01 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 * Residues marked with a * may have inaccurate shift predictions.