NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.1756 8.1693 122.4776 55.1088 42.2010 175.4425 5 S 4.6386 8.3364 120.6388 53.2321 65.7324 171.5075 6 P 4.4442 0.0000 0.0000 62.7515 32.5655 177.4084 7 V 4.1246 7.9321 115.9961 60.5804 33.2828 172.0979 8 A 3.9589 8.8566 125.3912 52.7715 18.5768 177.5251 9 L 4.2286 8.3854 122.2396 55.1712 42.7609 176.4956 10 R 4.6381 8.2084 118.8645 54.5248 34.5539 174.3288 11 Q 5.2056 8.3578 118.2685 54.5711 32.7717 174.8837 12 M 4.9876 8.8825 117.9777 53.8541 34.9977 174.4923 13 S 4.9270 8.7613 118.1403 59.0995 64.0832 173.0194 14 C 4.7892 9.3523 116.9677 57.2239 33.6856 172.1973 15 A 5.2430 8.4360 120.7588 49.8553 20.3514 176.0762 16 A 5.0564 8.8621 123.8324 50.4588 23.0095 174.6287 17 G 4.1264 8.5774 105.2897 46.1889 0.0000 174.6093 18 T 4.3657 8.8074 109.1730 63.1865 69.2749 174.4413 19 T 4.6259 7.3944 110.7102 60.0807 72.1247 173.6311 20 Q 3.9079 7.9522 121.6858 59.4733 28.7641 179.4909 21 T 3.7473 7.6579 112.3679 66.4820 68.6365 175.4496 22 A 3.9876 7.8409 123.5022 54.9827 18.5021 177.1364 23 C 4.4021 7.7684 113.6097 60.6657 27.9023 172.4358 24 T 4.4492 8.3757 113.1006 62.5186 70.1910 173.6452 25 D 4.9392 7.5477 122.1532 50.9311 43.8555 175.3784 26 D 4.6207 8.4830 121.7267 55.3161 40.8373 176.7707 27 N 5.2026 8.7021 120.6114 52.3701 38.9453 173.8750 28 A 4.7606 7.9655 118.9628 51.5732 23.1304 175.3629 29 L 4.8680 9.0191 121.9551 53.1602 44.7752 174.9644 30 A 5.3200 9.0509 128.5014 50.3234 21.5464 174.9147 31 Y 4.8487 9.0415 121.8598 58.1513 39.3287 174.6671 32 Y 5.2703 9.0056 121.3023 55.5371 42.5188 173.0604 33 N 5.3014 9.5966 119.7803 51.7755 41.2903 174.5605 34 N 5.9393 9.0898 121.5717 52.0672 37.8219 176.6405 35 S 4.1632 9.6649 114.2697 58.5730 62.4111 174.3805 *38 G 3.7150 7.9374 108.5123 46.4832 0.0000 172.4900 39 R 4.8506 8.3273 118.2791 54.1111 32.0197 175.4478 40 F 4.8040 9.3964 126.7417 56.4273 40.9348 174.6689 41 V 4.0131 7.7857 127.2711 62.7748 31.5478 175.3490 42 L 4.2300 8.8416 128.0684 56.7261 43.3778 176.2662 43 A 4.9519 7.6311 117.5774 51.2620 22.8832 174.8524 44 L 5.3568 9.4318 119.1659 52.9755 45.4806 175.7698 45 L 5.3972 9.0554 124.5278 53.7438 45.0680 175.0534 46 S 4.9246 9.0920 118.6511 58.1764 66.0496 174.8515 47 D 4.8420 8.8045 121.7603 55.9336 41.3229 177.1601 48 H 4.6884 7.8128 115.6988 55.1447 29.5489 175.0788 49 Q 4.7414 8.5403 117.5889 55.0561 28.9969 175.6470 50 D 4.7049 7.9105 116.9694 53.2504 40.3564 176.6806 51 L 4.0007 7.8899 120.1996 55.9361 42.2110 176.8930 52 K 4.6755 8.5253 117.9886 55.6318 35.6970 175.6374 53 W 5.7092 8.8203 118.9661 55.3035 34.3265 173.8448 54 A 5.0882 8.8135 120.8449 50.7952 22.3421 175.5611 55 R 4.6456 8.2201 117.8976 54.1971 32.4010 175.8861 56 F 4.4327 8.9091 119.2928 54.8968 42.3993 172.0689 57 P 4.4483 0.0000 0.0000 62.6399 31.2011 176.1284 58 K 4.0458 8.3274 126.1340 55.1367 33.2742 176.8623 59 S 4.0744 8.5424 115.0311 60.3502 62.7188 174.7879 *62 T 4.3220 7.9471 116.1034 61.6355 69.1536 173.4118 63 G 4.0471 6.9128 106.5011 45.8655 0.0000 171.3249 64 T 5.2128 8.4598 108.2533 60.0793 72.3843 173.2441 65 I 4.7081 8.4706 123.0490 59.8128 40.3773 174.1257 66 Y 5.2541 8.8737 123.1569 56.5963 40.7848 175.1833 67 T 4.8460 9.0165 120.0560 61.6075 72.2033 173.7710 68 E 3.5496 8.6200 125.1100 56.1275 30.8501 175.6769 69 L 4.9771 7.7069 120.4739 53.1398 45.1891 176.1980 70 E 4.5886 8.9225 121.0850 54.2174 31.3389 174.5453 71 P 4.3051 0.0000 0.0000 62.7089 31.8451 174.8104 72 P 4.3484 0.0000 0.0000 62.7769 32.6852 175.0878 73 C 4.8453 8.3696 117.6614 57.8208 31.0442 173.9217 74 R 4.2486 8.7414 124.7268 56.3172 30.8236 175.3128 75 F 4.7353 8.0473 116.7672 56.1028 41.4391 172.7791 76 V 4.5855 8.4099 121.0361 61.7347 33.2968 175.0583 77 T 4.7533 8.7061 116.7352 59.8737 71.8973 173.3213 78 D 4.9541 8.8453 125.1048 54.9293 41.9549 175.1032 79 T 4.6283 7.6687 108.8468 60.0167 71.8738 172.2912 80 P 4.3383 0.0000 0.0000 64.4771 31.9253 176.8074 81 K 4.4752 7.6329 118.3022 54.7666 30.4887 175.9672 82 G 4.0955 7.8333 106.4855 44.6312 0.0000 169.8990 83 P 4.8586 0.0000 0.0000 62.9462 32.4085 175.8199 84 K 4.5371 8.6063 118.6279 55.5216 36.9048 175.3571 85 V 4.3269 8.0705 122.4269 61.8558 33.5451 174.7140 86 K 4.6262 7.7370 123.9647 55.6053 37.6510 174.0923 87 Y 5.1574 9.5568 118.8164 56.2759 41.3280 174.7179 88 L 5.0341 8.9044 126.6816 53.8102 44.1278 174.4528 89 Y 5.0109 9.5382 125.1359 56.2732 40.7277 174.9239 90 F 5.1781 8.6278 122.5089 56.0311 41.3860 175.6165 91 I 4.1594 8.5274 122.9639 60.9063 38.4189 175.7135 92 K 3.8438 8.1049 126.9791 57.9810 32.2259 177.2959 93 G 3.9103 8.9378 113.9727 45.5220 0.0000 173.1863 94 L 4.0365 7.3994 121.6115 54.9878 42.7851 177.2996 95 N 4.6764 8.4587 122.7802 52.3485 39.8245 176.0611 96 N 4.2361 8.4712 118.1326 55.9969 38.3287 177.4649 97 L 3.9022 7.8021 120.9465 58.2432 42.6742 178.3277 98 N 4.5163 9.0292 116.8023 56.2932 38.4747 177.6339 99 R 3.7981 7.7904 119.4437 59.1203 30.1411 179.2623 100 G 3.7074 8.3258 105.7963 48.1215 0.0000 175.6601 101 M 4.0972 7.8482 120.5569 57.9205 31.8612 179.1127 102 V 3.1881 7.4881 117.9671 65.9726 31.8502 177.7648 103 L 3.8410 8.2528 119.1568 57.9685 41.4883 179.3282 104 E 3.8799 8.0707 118.8669 59.1292 29.3322 178.8290 105 S 4.0731 7.4527 112.3022 61.2692 62.6935 175.8346 106 L 4.1131 7.9616 121.5368 57.7758 41.1425 179.2247 107 A 3.9929 7.9917 119.4465 55.0724 18.3400 178.6741 108 A 4.4992 7.6474 115.7980 52.1321 19.5608 179.0191 109 T 4.4839 7.5996 118.2891 61.3510 67.6076 173.5031 110 V 4.4162 7.0764 122.7014 61.6962 35.0012 173.8735 111 R 4.4606 8.3167 120.2822 54.6719 32.4898 174.9366 112 L 4.5151 8.4871 123.0677 54.2729 43.4611 177.0458 113 Q 3.6758 8.7079 120.0014 56.6066 28.9246 173.7932 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 4 L 8.17 4.18 0.00 1.41 1.55 0.87 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.34 4.64 0.00 3.97 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 6 P 0.00 4.44 0.00 2.20 2.09 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 7 V 7.93 4.12 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 0.72 0.00 0.00 0.94 0.00 0.00 8 A 8.86 3.96 1.26 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 0.00 0.00 0.00 9 L 8.39 4.23 0.00 1.59 1.67 0.85 0.88 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 10 R 8.21 4.64 0.00 0.67 1.21 0.00 3.07 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.42 0.00 11 Q 8.36 5.21 0.00 1.74 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.69 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 12 M 8.88 4.99 0.00 2.28 2.18 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 2.65 2.73 0.00 13 S 8.76 4.93 0.00 3.78 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 14 C 9.35 4.79 0.00 2.38 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 15 A 8.44 5.24 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 16 A 8.86 5.06 1.12 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 17 G 8.58 4.13 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 0.00 0.00 0.00 18 T 8.81 4.37 4.30 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 1.34 0.00 0.00 19 T 7.39 4.63 4.08 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 1.21 0.00 0.00 20 Q 7.95 3.91 0.00 1.38 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.92 0.00 0.00 0.00 0.00 0.00 1.31 1.16 0.00 21 T 7.66 3.75 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 1.14 0.00 0.00 22 A 7.84 3.99 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 23 C 7.77 4.40 0.00 3.26 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 24 T 8.38 4.45 4.22 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 1.25 0.00 0.00 25 D 7.55 4.94 0.00 2.68 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 8.48 4.62 0.00 2.68 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 27 N 8.70 5.20 0.00 2.79 2.83 0.00 0.00 6.79 7.12 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 28 A 7.97 4.76 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 29 L 9.02 4.87 0.00 1.65 1.48 0.47 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 30 A 9.05 5.32 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.04 4.85 0.00 2.97 2.83 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 32 Y 9.01 5.27 0.00 2.95 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 33 N 9.60 5.30 0.00 2.87 3.02 0.00 0.00 7.12 6.61 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 34 N 9.09 5.94 0.00 3.05 3.19 0.00 0.00 6.41 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 35 S 9.66 4.16 0.00 3.83 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 *38 G 7.94 3.71 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 0.00 0.00 0.00 39 R 8.33 4.85 0.00 1.53 1.42 0.00 2.74 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.34 0.00 40 F 9.40 4.80 0.00 3.07 3.17 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 0.00 0.00 0.00 0.00 41 V 7.79 4.01 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 -0.11 0.00 0.00 42 L 8.84 4.23 0.00 1.69 1.72 0.95 1.04 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 43 A 7.63 4.95 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 44 L 9.43 5.36 0.00 1.66 1.62 0.85 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 45 L 9.06 5.40 0.00 1.84 1.56 1.10 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 46 S 9.09 4.92 0.00 4.04 3.95 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 47 D 8.80 4.84 0.00 2.59 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 48 H 7.81 4.69 0.00 3.22 3.43 0.00 5.60 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 49 Q 8.54 4.74 0.00 1.42 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.87 0.00 0.00 0.00 0.00 0.00 1.93 2.07 0.00 50 D 7.91 4.70 0.00 2.81 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 51 L 7.89 4.00 0.00 0.58 1.16 0.66 0.78 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 52 K 8.53 4.68 0.00 1.95 1.72 0.00 1.71 0.00 0.00 1.88 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.73 7.81 53 W 8.82 5.71 0.00 3.26 3.21 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 0.00 54 A 8.81 5.09 1.20 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 55 R 8.22 4.65 0.00 0.84 0.97 0.00 2.75 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.21 0.00 56 F 8.91 4.43 0.00 2.93 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 57 P 0.00 4.45 0.00 1.91 2.02 0.00 3.67 0.00 0.00 3.41 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 58 K 8.33 4.05 0.00 1.77 1.83 0.00 1.84 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.45 7.81 59 S 8.54 4.07 0.00 4.01 3.95 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 *62 T 7.95 4.32 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 1.22 0.00 0.00 63 G 6.91 4.05 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 0.00 0.00 0.00 64 T 8.46 5.21 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 1.18 0.00 0.00 65 I 8.47 4.71 1.99 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 1.30 0.69 1.05 0.00 0.00 66 Y 8.87 5.25 0.00 2.99 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 67 T 9.02 4.85 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 1.24 0.00 0.00 68 E 8.62 3.55 0.00 1.62 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 1.47 1.97 0.00 69 L 7.71 4.98 0.00 1.47 1.62 0.62 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.92 4.59 0.00 2.05 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 2.33 2.44 0.00 71 P 0.00 4.31 0.00 2.06 2.04 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 72 P 0.00 4.35 0.00 1.79 0.49 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.06 0.00 73 C 8.37 4.85 0.00 2.78 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 74 R 8.74 4.25 0.00 1.76 1.76 0.00 3.27 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.13 0.00 75 F 8.05 4.74 0.00 3.16 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 V 8.41 4.59 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 0.82 0.00 0.00 77 T 8.71 4.75 4.30 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 1.49 0.00 0.00 78 D 8.85 4.95 0.00 2.60 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 79 T 7.67 4.63 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 1.27 0.00 0.00 80 P 0.00 4.34 0.00 2.06 2.16 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 81 K 7.63 4.48 0.00 1.66 1.67 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.38 7.81 82 G 7.83 4.10 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 0.00 83 P 0.00 4.86 0.00 1.91 1.97 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 84 K 8.61 4.54 0.00 1.55 1.55 0.00 1.63 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.49 7.81 85 V 8.07 4.33 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 0.43 0.00 0.00 0.80 0.00 0.00 86 K 7.74 4.63 0.00 0.81 1.63 0.00 1.42 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.49 1.26 7.81 87 Y 9.56 5.16 0.00 3.07 2.57 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 88 L 8.90 5.03 0.00 1.40 1.27 0.64 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 9.54 5.01 0.00 2.85 2.82 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 90 F 8.63 5.18 0.00 3.06 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 91 I 8.53 4.16 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 1.20 1.19 0.92 0.00 0.00 92 K 8.10 3.84 0.00 1.61 1.71 0.00 1.99 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.37 7.81 93 G 8.94 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 94 L 7.40 4.04 0.00 1.70 1.45 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 95 N 8.46 4.68 0.00 3.00 2.91 0.00 0.00 6.24 6.96 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 96 N 8.47 4.24 0.00 2.72 2.83 0.00 0.00 6.44 6.74 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 97 L 7.80 3.90 0.00 1.58 1.83 0.90 0.95 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 98 N 9.03 4.52 0.00 2.87 2.91 0.00 0.00 7.06 7.69 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 99 R 7.79 3.80 0.00 1.71 1.42 0.00 2.87 0.00 0.00 2.67 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.09 0.00 100 G 8.33 3.71 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 0.00 0.00 0.00 101 M 7.85 4.10 0.00 2.09 2.27 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.52 0.00 102 V 7.49 3.19 2.35 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 0.61 0.00 0.00 0.90 0.00 0.00 103 L 8.25 3.84 0.00 1.66 1.68 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.07 3.88 0.00 2.23 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 2.28 2.44 0.00 105 S 7.45 4.07 0.00 3.82 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 0.00 106 L 7.96 4.11 0.00 1.64 1.50 0.06 0.67 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 0.00 107 A 7.99 3.99 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 0.00 108 A 7.65 4.50 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 0.00 109 T 7.60 4.48 4.49 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 1.28 0.00 0.00 110 V 7.08 4.42 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 0.76 0.00 0.00 1.03 0.00 0.00 111 R 8.32 4.46 0.00 1.81 1.80 0.00 3.21 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 112 L 8.49 4.52 0.00 1.63 1.58 0.92 1.06 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 0.00 113 Q 8.71 3.68 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.65 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.