NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.5107 8.1693 122.7128 55.2488 43.0338 175.6027 4 T 4.6115 8.7269 116.2421 59.2136 72.5901 171.0923 5 A 5.0846 8.5321 123.5426 50.1819 22.9634 175.7706 6 D 4.7153 8.8940 121.1255 51.6909 44.1794 173.5939 7 P 4.6582 0.0000 0.0000 61.8626 31.9700 175.0502 8 P 4.4765 0.0000 0.0000 63.8219 31.8382 175.9930 9 A 4.7283 7.5872 119.4465 50.2773 22.6483 174.5403 10 C 4.9274 9.1710 121.1592 57.7298 34.0487 172.8024 11 T 5.0972 8.5494 115.6689 60.1869 70.8540 173.4824 12 V 4.6658 9.1344 118.9024 58.6090 36.9621 173.0927 13 P 4.8528 0.0000 0.0000 62.5509 31.9928 177.5942 14 A 4.0904 9.0953 125.8153 54.9194 18.8839 179.5488 15 A 4.0086 8.0823 116.8987 53.4210 18.9450 176.4181 16 G 4.0872 7.1699 104.4896 44.1156 0.0000 173.9813 *17 V 4.1922 7.4029 119.5765 61.7100 37.9726 170.5298 18 S 5.1124 8.4800 110.9431 58.7095 65.4817 173.7442 19 S 4.6053 9.6148 121.2814 56.9440 65.3847 172.3478 20 T 4.9559 8.5157 123.6542 62.3255 70.4411 173.7616 21 H 5.0385 9.1480 123.1454 53.7407 32.6060 172.5954 22 K 4.8448 8.9011 124.0315 55.8732 34.1598 175.8810 23 L 4.7126 9.0268 126.6225 53.8686 43.1070 175.9615 24 V 4.5982 9.0519 124.4982 61.0434 34.5023 173.7992 25 N 4.8027 9.0669 127.5134 52.1529 39.4462 174.5981 26 G 4.0495 8.5962 112.6732 46.4200 0.0000 172.2377 27 G 4.0842 7.9024 108.0301 44.9303 0.0000 173.7504 28 A 4.8649 8.3174 119.8756 51.4118 19.3784 175.9257 29 E 4.7728 7.7793 118.1659 55.6118 33.0536 174.8884 30 K 4.4709 8.8503 127.4450 56.6779 33.6899 175.3890 31 I 5.4337 8.8679 119.4731 59.1426 41.4997 174.3309 32 V 5.2817 9.1098 122.0861 60.1708 34.8115 174.4032 33 F 5.7334 8.5949 115.5209 55.5623 42.0635 173.1221 34 K 4.3290 8.7496 120.8668 54.7241 35.1355 174.7233 35 I 4.8540 8.2307 128.8086 59.6512 39.0956 175.2947 36 K 4.4834 8.9497 126.0023 54.6304 35.0190 175.0902 37 S 5.1414 8.5988 119.9712 56.6135 64.0836 173.8323 38 S 4.4772 8.6266 119.6765 59.0263 63.6440 173.9866 39 N 4.6761 8.3837 120.1941 53.6084 40.0124 173.0847 40 N 4.9111 8.7824 122.0376 53.1757 39.3680 175.3907 41 N 4.5953 8.3642 117.1140 55.9230 39.7825 175.6246 42 E 4.3553 8.4428 115.2549 56.3569 30.4269 175.3988 43 Y 5.3513 7.8154 116.4962 56.1714 42.1092 174.9962 44 R 4.8618 9.1407 120.7553 54.3524 33.9211 174.3963 45 I 5.1323 8.4737 116.4679 59.1349 40.4343 174.8974 46 A 4.6505 8.6800 126.3760 50.3848 22.6985 174.2611 47 P 4.8041 0.0000 0.0000 62.4709 32.4768 176.3703 48 V 4.0043 8.4624 119.5611 63.7319 33.0709 175.1569 49 F 4.9329 7.8514 116.1139 54.1769 43.2391 173.4756 50 G 3.5419 6.1308 108.5300 45.4831 0.0000 170.8486 51 F 5.5789 8.0508 117.1655 55.7877 42.5753 176.1200 52 V 4.4843 9.0213 120.1377 61.4693 34.3110 174.5227 53 D 4.9360 8.8746 128.0028 53.3095 42.3250 174.4520 54 P 4.3351 0.0000 0.0000 64.4121 31.6340 176.6884 55 S 3.7270 8.8637 116.0562 58.7051 61.8561 170.8627 56 G 4.2839 8.3774 107.8000 45.4894 0.0000 172.6785 57 S 5.3454 8.3049 112.8077 56.7485 66.6207 173.4763 58 K 4.6611 8.9495 121.4013 55.0717 35.5977 174.6010 59 D 5.2768 8.8420 127.1376 53.2580 42.4874 176.0331 60 V 4.5174 8.5435 122.2118 59.9121 34.3060 174.4060 61 V 4.6123 9.2650 126.5680 61.2921 33.5896 174.2240 62 I 4.8596 9.1054 129.5772 60.1380 39.2637 174.5729 63 T 4.9885 9.1613 124.7003 61.7320 71.0482 173.3723 64 R 4.9271 9.2557 127.2379 54.6774 32.3607 174.9937 65 T 4.8767 8.3512 115.9432 59.2927 72.0745 173.4883 66 A 4.1648 8.4926 123.6398 53.0633 18.7586 177.0041 67 G 3.9576 8.1588 107.4017 45.5962 0.0000 173.0497 68 A 4.3004 8.6311 123.2552 50.7456 19.0197 175.7227 69 P 4.4872 0.0000 0.0000 63.6415 31.8509 175.3857 70 K 4.4943 8.7577 121.6521 55.8058 36.4235 173.4963 71 E 5.0914 8.7684 124.0107 55.1346 31.1846 174.9172 72 D 5.1835 9.1462 124.4902 52.7119 45.9591 174.3115 73 K 4.8551 9.0285 116.9181 55.8607 36.4964 174.7869 74 L 4.7966 8.7218 124.2188 53.3923 44.3698 175.0095 75 V 4.3090 8.9223 127.3666 61.3735 33.5333 174.5454 76 V 4.4511 8.7230 129.1307 61.5851 33.0362 174.0012 77 H 5.2385 8.8691 126.6695 55.1650 30.1858 174.8326 78 F 6.0002 8.4010 116.2462 55.8864 41.9146 173.0982 79 A 4.8391 8.8702 120.2158 51.0101 23.2376 175.7132 80 S 4.6130 8.6270 115.5207 58.5273 63.4875 174.6896 81 A 4.3471 8.7685 127.1674 51.1151 19.0196 176.0131 82 P 4.2969 0.0000 0.0000 61.9260 32.2134 175.8417 83 A 4.1745 8.3157 123.8164 53.8519 18.5189 178.0443 84 D 4.5167 8.9195 121.1353 54.0126 38.9422 174.3879 85 A 4.2112 7.5279 122.1168 52.9851 18.7669 177.6963 86 T 4.4905 8.5011 108.0040 60.1537 70.5999 173.9433 87 D 4.7813 8.0401 121.0444 52.0296 42.1402 175.5472 88 A 3.5742 7.9953 129.4221 54.5404 18.0614 178.7947 89 Q 3.2493 7.7128 116.7614 59.0239 29.4568 177.7803 90 A 4.0215 7.6721 120.2490 55.0861 18.4108 179.0535 91 A 3.9352 8.1951 119.6211 55.7087 18.5771 179.5663 92 F 3.6279 8.1504 118.5737 61.4369 39.1507 177.2266 93 V 3.8978 7.7883 115.7754 64.5220 31.3593 176.1520 94 A 4.5686 7.7556 119.9587 51.7969 19.1805 176.2923 95 V 4.2644 7.2449 115.6392 61.3083 34.4055 174.7046 96 A 4.4860 8.1376 127.1096 49.4180 19.8036 175.5195 97 P 4.1846 0.0000 0.0000 63.4267 31.5594 176.4555 98 A 4.1316 8.7038 123.5893 52.1672 19.4840 177.7274 99 G 3.7141 6.1520 102.0020 46.1069 0.0000 170.5971 100 T 5.1912 7.6706 112.1181 60.8907 70.6643 173.9806 101 V 4.6289 8.9631 119.0284 59.8619 35.4158 174.6154 102 T 4.9517 8.5870 120.9602 61.7111 71.0033 173.3186 103 I 4.4885 8.4308 127.3277 58.3447 39.9094 173.0357 104 P 4.6813 0.0000 0.0000 63.1317 32.9603 175.3018 105 M 5.0238 9.1135 122.0593 53.9951 34.7327 174.6474 106 S 5.0961 9.4891 121.2814 56.7295 65.5552 173.4054 107 A 5.2852 8.9607 127.7549 50.6699 20.5303 175.0931 108 T 4.8116 8.5853 112.1286 59.9644 71.9094 175.0301 109 A 4.1479 8.6813 125.0679 52.9537 18.3261 177.4724 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 L 8.17 4.51 0.00 1.04 1.01 0.45 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.73 4.61 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 5 A 8.53 5.08 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 6 D 8.89 4.72 0.00 2.74 2.46 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 0.00 7 P 0.00 4.66 0.00 2.27 1.98 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 8 P 0.00 4.48 0.00 2.15 2.15 0.00 3.31 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.90 0.00 9 A 7.59 4.73 1.17 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 0.00 0.00 10 C 9.17 4.93 0.00 2.91 2.87 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 11 T 8.55 5.10 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 1.22 0.00 0.00 12 V 9.13 4.67 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 0.82 0.00 0.00 1.09 0.00 0.00 13 P 0.00 4.85 0.00 2.23 1.96 0.00 3.73 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 2.11 2.10 0.00 14 A 9.10 4.09 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 15 A 8.08 4.01 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 16 G 7.17 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 *17 V 7.40 4.19 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 0.60 0.00 0.00 0.93 0.00 0.00 18 S 8.48 5.11 0.00 3.82 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 19 S 9.61 4.61 0.00 3.87 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 20 T 8.52 4.96 4.19 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 21 H 9.15 5.04 0.00 2.96 3.10 0.00 5.60 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 22 K 8.90 4.84 0.00 1.79 2.08 0.00 1.28 0.00 0.00 1.63 0.00 0.00 3.11 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.59 1.38 7.81 23 L 9.03 4.71 0.00 1.34 1.40 0.17 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 24 V 9.05 4.60 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 1.03 0.00 0.00 0.90 0.00 0.00 25 N 9.07 4.80 0.00 2.84 2.88 0.00 0.00 6.70 7.43 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 26 G 8.60 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 27 G 7.90 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 0.00 0.00 0.00 0.00 28 A 8.32 4.86 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 29 E 7.78 4.77 0.00 1.95 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 30 K 8.85 4.47 0.00 1.89 1.68 0.00 1.55 0.00 0.00 1.52 0.00 0.00 3.03 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.65 1.51 7.81 31 I 8.87 5.43 2.21 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 1.74 0.84 1.10 0.00 0.00 32 V 9.11 5.28 2.29 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 0.93 0.00 0.00 1.02 0.00 0.00 33 F 8.59 5.73 0.00 3.30 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 34 K 8.75 4.33 0.00 0.89 0.74 0.00 1.58 0.00 0.00 1.33 0.00 0.00 2.75 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.95 0.93 7.81 35 I 8.23 4.85 1.71 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.85 0.85 0.00 0.00 36 K 8.95 4.48 0.00 1.63 1.64 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.73 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 1.26 7.81 37 S 8.60 5.14 0.00 3.76 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 38 S 8.63 4.48 0.00 3.92 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 39 N 8.38 4.68 0.00 3.05 2.98 0.00 0.00 7.00 7.39 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 40 N 8.78 4.91 0.00 2.76 2.83 0.00 0.00 7.04 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 41 N 8.36 4.60 0.00 2.67 2.83 0.00 0.00 7.13 7.65 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 42 E 8.44 4.36 0.00 1.76 1.55 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 2.18 2.07 0.00 43 Y 7.82 5.35 0.00 3.02 2.76 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 44 R 9.14 4.86 0.00 1.73 1.81 0.00 3.25 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 45 I 8.47 5.13 1.84 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 1.27 0.64 0.88 0.00 0.00 46 A 8.68 4.65 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 47 P 0.00 4.80 0.00 2.24 2.08 0.00 3.78 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 2.17 2.16 0.00 48 V 8.46 4.00 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 0.28 0.00 0.00 0.96 0.00 0.00 49 F 7.85 4.93 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 50 G 6.13 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.05 5.58 0.00 3.01 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 52 V 9.02 4.48 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 1.02 0.00 0.00 1.14 0.00 0.00 53 D 8.87 4.94 0.00 2.68 2.59 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 54 P 0.00 4.34 0.00 2.04 2.12 0.00 3.82 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.25 0.00 55 S 8.86 3.73 0.00 4.00 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 56 G 8.38 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 57 S 8.30 5.35 0.00 3.80 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 58 K 8.95 4.66 0.00 1.93 1.58 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.17 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.62 1.54 7.81 59 D 8.84 5.28 0.00 2.61 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 60 V 8.54 4.52 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 0.81 0.00 0.00 0.91 0.00 0.00 61 V 9.27 4.61 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 0.97 0.00 0.00 0.94 0.00 0.00 62 I 9.11 4.86 2.05 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.37 1.02 0.00 0.00 63 T 9.16 4.99 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 1.23 0.00 0.00 64 R 9.26 4.93 0.00 1.85 1.75 0.00 2.54 0.00 0.00 2.60 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.42 0.00 65 T 8.35 4.88 4.18 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 1.17 0.00 0.00 66 A 8.49 4.16 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 67 G 8.16 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 68 A 8.63 4.30 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 69 P 0.00 4.49 0.00 2.09 2.10 0.00 3.80 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 1.99 1.98 0.00 70 K 8.76 4.49 0.00 1.87 1.67 0.00 1.63 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.41 7.81 71 E 8.77 5.09 0.00 1.89 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 2.24 2.26 0.00 72 D 9.15 5.18 0.00 2.52 2.47 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 73 K 9.03 4.86 0.00 1.68 1.79 0.00 1.23 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.33 7.81 74 L 8.72 4.80 0.00 1.58 1.41 0.75 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 75 V 8.92 4.31 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 0.75 0.00 0.00 0.88 0.00 0.00 76 V 8.72 4.45 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 0.92 0.00 0.00 0.83 0.00 0.00 77 H 8.87 5.24 0.00 2.99 3.41 0.00 5.61 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 8.40 6.00 0.00 3.35 3.29 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 79 A 8.87 4.84 0.97 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 80 S 8.63 4.61 0.00 3.79 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 A 8.77 4.35 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 82 P 0.00 4.30 0.00 2.23 2.00 0.00 3.74 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 83 A 8.32 4.17 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 84 D 8.92 4.52 0.00 2.85 2.84 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 85 A 7.53 4.21 1.43 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 86 T 8.50 4.49 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 1.25 0.00 0.00 87 D 8.04 4.78 0.00 2.79 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 88 A 8.00 3.57 0.35 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 89 Q 7.71 3.25 0.00 1.44 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.00 0.00 0.00 0.00 0.00 0.00 1.61 1.16 0.00 90 A 7.67 4.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.20 3.94 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.15 3.63 0.00 3.35 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 93 V 7.79 3.90 2.25 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 0.88 0.00 0.00 0.99 0.00 0.00 94 A 7.76 4.57 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 V 7.24 4.26 1.60 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 0.61 0.00 0.00 0.90 0.00 0.00 96 A 8.14 4.49 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.18 0.00 2.15 2.23 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 98 A 8.70 4.13 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 6.15 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 0.00 100 T 7.67 5.19 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 1.19 0.00 0.00 101 V 8.96 4.63 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 0.72 0.00 0.00 0.94 0.00 0.00 102 T 8.59 4.95 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 1.23 0.00 0.00 103 I 8.43 4.49 1.74 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.70 0.79 0.00 0.00 104 P 0.00 4.68 0.00 2.12 2.13 0.00 3.81 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 2.03 1.97 0.00 105 M 9.11 5.02 0.00 1.61 1.76 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 106 S 9.49 5.10 0.00 3.74 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 0.00 107 A 8.96 5.29 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 0.00 108 T 8.59 4.81 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 0.00 109 A 8.68 4.15 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 * Residues marked with a * may have inaccurate shift predictions.