NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5073 8.3349 115.5617 58.6507 63.9915 172.4515 2 T 4.4375 8.0776 118.8056 60.9856 70.3018 173.1539 3 S 4.5216 8.3595 121.5990 57.8578 64.2163 172.5021 4 P 4.4636 0.0000 0.0000 62.2531 32.1114 175.6333 5 E 4.3786 8.5346 121.5186 56.3497 31.0721 175.5834 6 I 4.3067 8.9147 127.7588 61.1074 36.9143 175.9292 7 A 4.3767 9.0713 131.0533 54.4583 19.1102 177.6255 8 S 4.6436 7.6051 107.0928 57.3062 65.7393 174.2733 9 L 5.0421 8.3520 123.7351 53.6884 45.1507 175.3097 10 S 4.5495 8.8104 119.0974 56.7587 66.1115 172.8123 11 W 4.3341 8.8325 130.7032 58.6333 30.2854 175.4089 12 G 4.0350 8.8929 114.5818 45.8842 0.0000 172.0016 13 Q 5.2119 7.6630 118.8891 54.4846 33.4247 173.2738 *15 K 4.3354 8.4458 120.7558 56.2784 34.0505 174.9286 16 V 4.5690 8.0979 124.1054 60.6940 33.8518 175.2236 17 K 4.0984 8.7157 127.9445 57.9751 32.2579 177.5226 18 G 3.8721 8.8495 110.9339 45.7594 0.0000 172.8309 19 S 4.6771 7.5445 113.6758 56.5375 63.6137 174.2178 20 N 4.4422 8.6490 123.6439 55.4797 38.7579 175.4071 21 T 4.2934 7.2127 114.8247 61.6776 70.0205 174.3786 22 T 3.8391 8.1001 123.0478 63.3588 69.2215 174.2374 23 Y 4.6857 8.0258 124.0422 56.8552 39.3064 175.1559 24 K 4.4021 8.0840 120.3764 56.5131 33.3751 175.5773 25 D 5.4643 7.5725 117.5502 52.9086 44.4720 174.3002 26 C 5.1632 9.0300 113.9818 57.0362 33.8418 172.6271 27 K 5.0785 9.2024 119.9281 54.6536 34.7517 175.8521 28 V 4.4897 8.8140 123.2164 59.8611 35.1896 174.1982 29 W 5.5173 8.3557 119.4106 54.5538 32.2942 172.0784 30 P 4.6711 0.0000 0.0000 64.7111 30.8047 176.9893 31 G 4.1467 10.1677 113.6719 45.2798 0.0000 173.0598 32 G 3.7684 7.4358 106.1768 46.7104 0.0000 172.0653 33 S 3.7199 7.4969 111.6322 57.7240 65.3219 174.6901 34 R 4.7490 8.3442 119.2626 54.6643 35.1375 174.3860 35 T 4.0338 8.5202 115.8621 62.1333 68.0648 173.0009 36 W 5.0932 8.7119 135.0000 56.1987 32.1880 175.0677 37 D 4.5551 8.9644 125.4108 52.1477 42.9711 175.8858 38 W 4.3612 8.3619 127.2685 59.5009 29.4113 178.7022 39 R 3.6596 8.3196 117.3384 59.2959 29.3847 178.4032 40 E 4.1688 8.0592 118.0988 58.8373 29.5308 178.4337 41 T 4.4865 8.0908 107.2257 60.8349 70.3051 175.6130 42 G 3.9083 9.0283 109.9357 45.4447 0.0000 173.5260 43 T 3.5820 7.7326 115.4230 64.1612 68.8511 173.0021 44 E 4.9152 8.0967 124.4611 54.3739 32.9833 176.2311 45 H 4.0719 8.8429 115.2422 58.4756 28.8955 175.7452 46 S 4.7728 7.6950 112.8267 55.7357 64.7969 171.7594 47 P 4.3622 0.0000 0.0000 63.5131 32.3258 176.2160 48 G 4.0693 7.9443 104.0181 42.6705 0.0000 172.8717 49 V 3.5808 7.3224 121.3282 63.7749 31.9231 176.6889 50 Q 4.5239 10.2333 126.6473 53.7206 30.9183 174.7980 51 P 3.8256 0.0000 0.0000 66.0109 30.9621 178.5732 52 A 3.9115 7.8572 117.1617 55.5593 18.1254 178.9650 53 D 4.4726 8.0306 116.6140 56.7950 41.2491 178.3157 54 V 4.0243 7.6769 110.6776 61.0741 32.2744 177.6529 55 K 3.9429 7.9107 120.2873 59.5751 31.7787 177.5548 56 E 3.9227 7.8833 117.1668 57.8411 29.9489 178.3189 57 V 3.6635 7.4908 118.1752 66.0189 31.9554 177.4314 58 V 3.5629 7.6908 118.3501 66.1903 31.1038 177.2777 59 E 4.2207 7.9465 113.3341 57.5596 29.6914 178.0465 60 K 4.3011 7.8356 119.7128 56.2469 32.5960 176.2223 61 G 3.8361 8.5204 106.9988 46.1849 0.0000 172.9349 62 V 4.6670 7.6273 117.2480 59.2511 35.7525 176.0151 63 Q 4.3797 9.0219 121.1701 57.7661 30.2909 176.0850 64 T 5.1134 7.7898 114.4496 61.5085 73.1778 172.7408 65 L 5.1133 9.4082 127.3937 53.2955 45.3527 174.9422 66 V 4.6886 8.9586 126.8222 61.3495 33.8989 174.2725 67 I 4.3586 9.0401 129.4569 59.5236 39.2252 175.3549 68 G 4.3646 8.6842 117.3463 44.9943 0.0000 172.7640 69 R 4.7786 8.9287 124.1978 54.8163 31.1288 175.9844 70 G 4.3499 8.4000 108.5620 45.5791 0.0000 176.1078 *72 S 4.2676 8.9289 119.6209 56.7876 64.0219 173.2933 73 E 4.1714 8.3559 117.0264 57.8671 26.7877 175.7976 74 A 4.1291 7.5401 122.7888 54.2499 18.8355 178.3493 75 L 4.3759 7.4378 118.5802 54.4902 42.4945 177.2447 76 K 4.3454 9.0075 126.5840 56.3847 33.9623 176.7386 77 V 4.3940 7.9931 120.5620 60.7609 33.1906 172.9993 78 P 4.4601 0.0000 0.0000 62.1976 32.1086 178.2358 79 S 4.2370 8.5829 116.3703 61.2414 63.0995 176.7775 80 S 4.2085 8.0806 117.7834 61.5318 62.5881 176.5723 81 T 3.8452 7.6978 119.3218 66.5424 68.1752 176.7511 82 V 3.6008 7.7372 119.5793 66.1691 31.5605 177.7576 83 E 3.9540 8.6773 118.7677 59.2317 28.9978 178.5163 84 Y 4.1337 7.9000 118.9878 60.9418 39.1861 178.0632 85 L 3.6948 7.8902 119.6154 57.5933 41.6320 179.7408 86 K 3.9306 8.2541 118.5946 59.4014 31.7716 179.3603 87 K 3.9754 8.0210 117.8772 59.3854 31.9278 177.8750 88 H 4.6524 7.6623 114.2310 54.9964 28.7792 175.6868 89 G 3.8429 8.0465 108.4888 46.0950 0.0000 173.4852 90 I 4.4472 7.4007 119.7730 59.4336 38.6707 175.0728 91 D 4.4563 9.0102 127.8081 54.2486 42.1310 174.8206 92 V 4.8098 8.4227 125.7564 61.1233 34.0263 174.5954 93 R 4.6061 9.1303 126.9785 54.4585 32.7813 174.7200 94 V 4.7081 8.4422 124.4243 61.2270 33.0926 174.6080 95 L 4.8531 8.8172 126.5821 52.9601 46.9023 175.5953 96 Q 4.4977 8.7500 121.2078 56.4677 29.9499 177.4527 97 T 4.0711 8.7568 120.5733 66.8245 68.4620 176.9051 98 E 4.0266 8.3477 120.0516 59.7487 29.5698 179.2804 99 Q 4.1570 8.4454 117.2412 58.2089 28.8006 178.5349 100 A 4.1244 8.2138 122.3480 55.3303 18.5971 179.7037 101 V 3.4443 8.3074 117.2486 65.9495 31.5585 178.0873 102 K 3.9735 7.9989 118.8192 59.5232 32.0410 178.6531 103 E 3.9555 8.4615 118.7180 59.6575 29.4752 178.2735 104 Y 4.2053 8.5870 119.9355 61.4330 38.8052 178.4509 105 N 4.4215 8.5909 116.6273 55.9125 38.6192 177.4561 106 A 3.9722 7.9007 122.0068 55.0555 18.4837 179.6019 107 L 3.8616 7.9742 117.5687 57.8388 41.6921 179.7284 108 V 3.3774 7.8447 118.2785 66.1573 31.1767 178.0209 109 A 4.0648 8.1757 119.4422 54.3397 18.1335 178.3444 110 Q 4.4979 7.9013 114.7448 55.5544 29.3662 175.8620 111 G 3.9213 7.8435 106.7301 47.0616 0.0000 174.6082 112 V 3.7599 7.4769 118.7714 62.3319 32.5563 176.9853 113 R 4.3994 9.3642 126.7517 55.8655 29.1368 175.1054 114 V 4.8782 8.5942 122.8598 59.6769 34.1705 175.2254 115 G 4.4757 8.8764 109.5361 44.9000 0.0000 170.8136 116 G 4.0911 8.6692 105.9290 45.9640 0.0000 172.9798 117 V 4.5738 7.2589 112.3743 59.2501 35.6441 175.1652 118 F 5.4068 9.3986 123.7050 55.9202 43.0121 173.3202 119 H 5.6550 9.7342 123.7887 54.4743 32.0249 174.4593 120 S 4.7268 9.0348 119.8453 57.9696 63.7214 173.4969 121 T 2.8508 6.3999 111.4595 60.7483 69.9961 173.5260 122 C 4.3165 8.2073 117.9417 60.4228 28.3622 173.2842 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 S 8.33 4.51 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.08 4.44 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 3 S 8.36 4.52 0.00 3.80 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 4 P 0.00 4.46 0.00 2.18 2.03 0.00 3.88 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 1.97 1.83 0.00 5 E 8.53 4.38 0.00 2.09 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 2.41 2.36 0.00 6 I 8.91 4.31 1.72 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 0.85 0.41 0.78 0.00 0.00 7 A 9.07 4.38 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 8 S 7.61 4.64 0.00 3.83 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 9 L 8.35 5.04 0.00 1.52 1.48 0.90 0.86 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 S 8.81 4.55 0.00 4.08 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 11 W 8.83 4.33 0.00 3.39 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 12 G 8.89 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 0.00 0.00 0.00 0.00 13 Q 7.66 5.21 0.00 2.13 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.98 6.52 0.00 0.00 0.00 0.00 0.00 2.25 2.17 0.00 *15 K 8.45 4.34 0.00 1.74 1.71 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.72 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.40 7.81 16 V 8.10 4.57 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 0.97 0.00 0.00 1.03 0.00 0.00 17 K 8.72 4.10 0.00 1.97 1.74 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.39 7.81 18 G 8.85 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 19 S 7.54 4.68 0.00 3.90 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 20 N 8.65 4.44 0.00 2.70 2.81 0.00 0.00 6.91 7.54 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 21 T 7.21 4.29 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 1.08 0.00 0.00 22 T 8.10 3.84 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 1.16 0.00 0.00 23 Y 8.03 4.69 0.00 3.06 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 24 K 8.08 4.40 0.00 1.68 1.68 0.00 1.47 0.00 0.00 2.23 0.00 0.00 2.85 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.18 1.35 7.81 25 D 7.57 5.46 0.00 2.81 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 26 C 9.03 5.16 0.00 2.51 2.38 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 27 K 9.20 5.08 0.00 1.91 1.86 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.63 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.03 1.37 7.81 28 V 8.81 4.49 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 0.91 0.00 0.00 0.81 0.00 0.00 29 W 8.36 5.52 0.00 3.40 3.39 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 30 P 0.00 4.67 0.00 2.19 2.26 0.00 3.89 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.19 0.00 31 G 10.17 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 0.00 0.00 0.00 32 G 7.44 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 33 S 7.50 3.72 0.00 3.55 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 34 R 8.34 4.75 0.00 2.05 1.94 0.00 3.26 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.94 0.00 35 T 8.52 4.03 4.48 0.00 0.00 0.00 0.00 0.00 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 36 W 8.71 5.09 0.00 3.18 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 37 D 8.96 4.56 0.00 2.71 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.36 4.36 0.00 3.23 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 39 R 8.32 3.66 0.00 1.98 2.03 0.00 3.13 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 40 E 8.06 4.17 0.00 2.14 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 0.00 2.40 2.39 0.00 41 T 8.09 4.49 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 1.27 0.00 0.00 42 G 9.03 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 43 T 7.73 3.58 3.90 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 0.06 0.00 0.00 44 E 8.10 4.92 0.00 2.19 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 2.35 2.30 0.00 45 H 8.84 4.07 0.00 3.31 3.59 0.00 5.75 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 46 S 7.70 4.77 0.00 3.77 3.69 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 47 P 0.00 4.36 0.00 2.15 2.12 0.00 3.44 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.04 0.00 48 G 7.94 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 49 V 7.32 3.58 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 0.73 0.00 0.00 1.08 0.00 0.00 50 Q 10.23 4.52 0.00 2.20 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.17 6.46 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 51 P 0.00 3.83 0.00 1.66 0.68 0.00 3.43 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.81 0.00 52 A 7.86 3.91 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 53 D 8.03 4.47 0.00 2.73 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 54 V 7.68 4.02 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 0.66 0.00 0.00 1.04 0.00 0.00 55 K 7.91 3.94 0.00 1.89 1.76 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.52 7.81 56 E 7.88 3.92 0.00 1.87 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 0.00 1.86 1.93 0.00 57 V 7.49 3.66 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 1.06 0.00 0.00 1.01 0.00 0.00 58 V 7.69 3.56 2.22 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 0.89 0.00 0.00 0.92 0.00 0.00 59 E 7.95 4.22 0.00 2.10 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 0.00 2.30 2.17 0.00 60 K 7.84 4.30 0.00 1.80 1.81 0.00 1.14 0.00 0.00 1.41 0.00 0.00 2.53 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.09 0.52 7.81 61 G 8.52 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 0.00 0.00 0.00 62 V 7.63 4.67 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 0.87 0.00 0.00 0.99 0.00 0.00 63 Q 9.02 4.38 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 64 T 7.79 5.11 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 1.28 0.00 0.00 65 L 9.41 5.11 0.00 1.61 1.43 0.87 0.88 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 66 V 8.96 4.69 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 1.04 0.00 0.00 1.10 0.00 0.00 67 I 9.04 4.36 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.44 0.88 0.00 0.00 68 G 8.68 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 0.00 0.00 0.00 0.00 69 R 8.93 4.78 0.00 2.11 2.21 0.00 2.79 0.00 0.00 3.41 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.67 0.00 70 G 8.40 4.35 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 0.00 *72 S 8.93 4.27 0.00 4.13 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 0.00 73 E 8.36 4.17 0.00 2.16 2.11 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 2.29 2.35 0.00 74 A 7.54 4.13 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.44 4.38 0.00 1.92 2.02 0.38 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 76 K 9.01 4.35 0.00 1.94 1.71 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.40 7.81 77 V 7.99 4.39 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 0.79 0.00 0.00 0.93 0.00 0.00 78 P 0.00 4.46 0.00 2.19 1.92 0.00 3.74 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 79 S 8.58 4.24 0.00 4.05 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 80 S 8.08 4.21 0.00 4.06 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 81 T 7.70 3.85 4.42 0.00 0.00 0.00 0.00 0.00 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 82 V 7.74 3.60 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 1.14 0.00 0.00 0.93 0.00 0.00 83 E 8.68 3.95 0.00 2.02 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 0.00 2.54 2.47 0.00 84 Y 7.90 4.13 0.00 2.95 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 85 L 7.89 3.69 0.00 1.81 1.59 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.25 3.93 0.00 1.88 1.83 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.64 7.81 87 K 8.02 3.98 0.00 1.98 1.90 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.51 7.81 88 H 7.66 4.65 0.00 3.04 3.16 0.00 5.75 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 G 8.05 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 0.00 0.00 0.00 90 I 7.40 4.45 1.91 0.00 0.00 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 1.18 0.69 0.93 0.00 0.00 91 D 9.01 4.46 0.00 2.79 2.64 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 92 V 8.42 4.81 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 0.90 0.00 0.00 0.96 0.00 0.00 93 R 9.13 4.61 0.00 1.73 1.83 0.00 3.33 0.00 0.00 3.11 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 94 V 8.44 4.71 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 0.82 0.00 0.00 0.92 0.00 0.00 95 L 8.82 4.85 0.00 1.67 1.55 1.03 0.76 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 96 Q 8.75 4.50 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.91 0.00 0.00 0.00 0.00 0.00 2.75 2.40 0.00 97 T 8.76 4.07 4.31 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 1.33 0.00 0.00 98 E 8.35 4.03 0.00 2.20 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 2.47 2.42 0.00 99 Q 8.45 4.16 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 100 A 8.21 4.12 1.67 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 0.00 101 V 8.31 3.44 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 0.90 0.00 0.00 0.52 0.00 0.00 102 K 8.00 3.97 0.00 1.98 2.10 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.51 7.81 103 E 8.46 3.96 0.00 2.28 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 0.00 2.38 2.52 0.00 104 Y 8.59 4.21 0.00 3.43 3.35 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 0.00 105 N 8.59 4.42 0.00 2.92 2.87 0.00 0.00 7.02 7.20 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 0.00 106 A 7.90 3.97 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 0.00 107 L 7.97 3.86 0.00 1.74 1.62 0.93 0.64 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 0.00 108 V 7.84 3.38 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 1.02 0.00 0.00 0.49 0.00 0.00 109 A 8.18 4.06 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 0.00 110 Q 7.90 4.50 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.54 2.33 0.00 111 G 7.84 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 0.00 112 V 7.48 3.76 2.15 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 0.79 0.00 0.00 0.91 0.00 0.00 113 R 9.36 4.40 0.00 1.81 1.91 0.00 3.14 0.00 0.00 3.23 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 114 V 8.59 4.88 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 0.36 0.00 0.00 1.02 0.00 0.00 115 G 8.88 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.67 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 0.00 0.00 0.00 0.00 117 V 7.26 4.57 0.67 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 0.12 0.00 0.00 0.33 0.00 0.00 118 F 9.40 5.41 0.00 3.03 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 0.00 119 H 9.73 5.66 0.00 3.57 3.62 0.00 5.76 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 S 9.03 4.73 0.00 3.90 4.03 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 0.00 121 T 6.40 2.85 3.46 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 0.31 0.00 0.00 122 C 8.21 4.32 0.00 3.19 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 * Residues marked with a * may have inaccurate shift predictions.