NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 L 4.1686 8.2845 120.7664 54.3483 43.1931 177.7904 *6 H 4.4627 7.9336 119.9650 50.4451 27.2040 173.7904 7 P 4.4756 0.0000 0.0000 61.8406 33.0724 176.3023 8 I 4.4234 8.1649 120.0500 57.2111 37.5927 170.8791 9 P 4.6384 0.0000 0.0000 60.7129 32.3629 176.0239 10 N 4.3521 8.5683 117.5000 53.6954 39.0774 174.7092 11 R 4.1772 8.2542 121.0649 55.1382 30.9933 174.5768 12 P 4.3568 0.0000 0.0000 62.4054 32.0103 175.8966 13 V 4.0179 8.2025 122.5785 61.7734 32.2513 175.7500 14 L 4.5121 8.2326 127.3307 53.4937 43.2440 176.9088 15 T 4.1077 8.1476 110.3678 61.5991 70.6325 174.8904 16 R 3.8854 8.7205 121.7834 59.9083 29.5577 178.3829 17 A 4.1005 8.2277 121.7588 54.8576 18.5086 179.8291 18 R 4.2440 7.9445 114.8724 59.0900 30.0780 179.0034 19 A 4.1728 8.1789 120.0081 54.4283 18.4813 178.3477 20 S 4.3867 7.9028 110.1051 58.7988 63.7277 174.4076 21 L 3.2932 7.5503 124.2808 54.0898 42.5423 174.8636 22 P 4.2504 0.0000 0.0000 62.7184 31.7631 177.2628 23 L 4.1302 8.2986 120.9451 56.7414 41.8518 177.8798 24 V 4.0835 7.6101 117.2138 62.8700 31.4518 174.5803 25 L 5.2885 7.5962 117.0065 53.6746 45.9341 174.8513 26 Y 4.9355 8.6534 117.4154 55.9177 42.0887 173.6621 27 I 5.2477 8.1940 120.6351 58.6896 39.1110 174.9747 28 D 4.3374 9.2166 129.5860 55.8081 41.4225 177.8129 29 R 3.8199 8.5918 128.0232 59.5632 29.9629 173.8568 *30 F 4.6461 8.4599 114.7270 58.2233 39.4668 179.2215 31 L 4.0979 8.2534 119.2053 54.8447 41.8044 178.5071 32 G 3.8052 8.7986 108.7786 44.9359 0.0000 173.9763 33 G 4.3582 8.5183 101.8650 44.7535 0.0000 172.2376 34 V 4.6629 7.8289 119.2731 61.4364 33.4243 174.7445 35 F 4.8884 8.7097 127.4105 55.8409 43.1949 176.9225 36 S 4.6874 8.1779 118.6002 59.3596 63.4647 174.0176 *38 R 4.3112 8.4590 120.4079 59.1109 31.0224 173.1376 39 R 4.4810 8.5271 115.2602 58.7119 30.6803 172.3349 40 I 4.6455 8.7017 121.7778 58.7797 40.6430 173.7511 41 P 4.9932 0.0000 0.0000 62.6346 32.1827 176.8628 42 K 4.2387 8.5849 127.6848 55.8783 32.5003 178.5803 43 R 3.9018 8.4373 113.8718 58.3905 27.6111 175.6307 44 T 4.3167 7.7345 116.1707 63.6467 69.8186 173.5176 45 Q 4.8137 8.3965 127.9583 54.5706 30.6023 174.5521 46 F 4.9795 9.6820 125.0596 56.1300 42.8804 175.0806 47 G 4.1000 9.3103 106.1679 43.6582 0.0000 171.1772 48 P 4.0660 0.0000 0.0000 61.6691 32.2216 176.5977 49 V 2.9961 7.3429 121.7579 63.6119 32.0748 175.0863 50 E 4.5112 8.2401 125.4732 54.0913 33.1418 175.4901 51 G 4.2770 8.3518 111.7213 44.3851 0.0000 170.5322 52 P 4.4875 0.0000 0.0000 62.5742 32.4972 175.6887 53 L 5.1446 8.5323 125.3789 53.8894 43.6342 176.7932 54 V 4.6623 8.8619 123.7497 60.2651 36.1216 174.7708 55 R 4.0604 8.7427 118.0493 58.6279 29.4940 178.3679 56 G 3.6238 8.3509 103.4648 45.9913 0.0000 174.5883 57 S 4.2313 7.9037 114.1140 59.6527 63.5770 174.9183 58 E 4.5408 7.8622 115.7754 55.6169 30.3490 181.2764 59 L 4.4594 7.4262 118.4754 55.2901 42.5702 176.1228 60 K 4.5522 8.2442 119.6419 55.1471 34.6320 175.9085 61 D 4.6290 8.2146 118.3757 54.6791 40.8000 177.4971 62 C 4.3707 7.3743 116.6344 60.5837 28.6829 172.6278 63 Y 4.9339 6.4748 116.1335 54.9187 40.7008 174.2697 64 I 3.8713 8.3956 120.6583 61.2536 38.6210 174.8498 65 H 5.0810 8.8804 124.5801 55.0801 29.3674 174.4206 66 L 5.1150 9.0859 125.0681 53.0185 43.9225 175.4426 67 K 3.9907 8.2792 125.3420 54.5139 33.8842 175.6197 68 V 4.2090 8.4803 128.4433 63.4298 34.1486 175.1430 69 S 4.4607 9.1885 129.4510 58.3108 61.8809 168.2986 *83 D 4.3730 7.5246 118.2958 52.7724 40.9955 175.0713 84 L 5.0685 7.0932 117.8119 53.7864 45.5792 175.2253 85 W 5.8433 8.5993 118.0830 54.9134 33.9263 174.8153 86 F 4.7871 8.9986 125.1885 58.3527 39.1188 175.8462 87 E 4.3471 9.3123 123.6418 54.8297 29.3741 173.6388 88 L 4.1598 6.3807 131.6559 54.0457 41.7076 177.9533 89 S 4.6145 7.7524 112.3424 57.9831 65.7472 173.5301 90 D 4.8272 7.7115 121.2245 52.3611 42.2438 176.5042 91 E 4.1258 8.7794 125.8254 58.3669 29.8463 178.0404 92 T 4.3322 8.0826 107.7766 61.8002 69.7102 175.1601 93 L 4.6370 7.8400 120.8995 54.6063 43.3142 175.4923 94 C 5.1556 7.5620 115.8408 57.2050 32.0813 173.4478 95 N 4.8670 8.0396 119.5782 51.7376 40.4799 175.4564 96 W 4.4684 8.2270 117.7577 58.7056 27.7693 177.3848 97 M 3.1840 6.8620 119.3148 56.6793 30.9591 177.6500 98 M 3.9163 7.0908 116.6088 57.1863 31.6347 177.3425 99 F 5.0921 7.9908 118.2108 56.6081 39.5573 175.2216 100 V 4.1809 7.0472 118.7273 62.0043 31.5098 175.8520 101 R 4.4363 8.3753 126.7605 55.3697 31.3774 174.4009 102 P 4.8840 0.0000 0.0000 62.5350 32.5411 175.7527 103 A 4.3043 8.3565 123.9462 52.2196 18.4540 177.9115 104 Q 3.9339 9.0008 120.7264 57.0391 29.0850 175.9069 105 N 4.9439 7.5851 115.8649 51.4148 40.5735 175.5905 *106 H 4.2082 8.7669 118.0295 58.1650 28.4567 179.5278 107 L 4.1258 7.3302 115.4101 57.6240 40.6494 182.0497 108 E 4.1659 9.3186 116.2976 57.1611 29.8678 176.5677 109 Q 4.3676 7.4770 122.6880 55.8507 29.6655 174.6832 110 N 5.1061 8.7634 120.2502 52.1634 39.8151 173.4815 111 L 5.3334 8.3319 122.7230 53.7204 45.2716 176.2221 112 V 5.0126 9.2484 121.7981 59.7347 34.6160 174.1919 113 A 5.7234 9.0510 128.0072 49.4777 21.2121 175.3929 114 Y 4.2324 7.3720 115.9101 55.9525 40.8947 173.5049 115 Q 4.6890 8.0668 122.1989 56.3260 30.7189 174.6022 116 Y 4.4232 9.7427 121.9094 58.2041 42.8490 174.6961 117 G 3.7586 9.2083 119.8206 48.7567 0.0000 172.6153 *118 H 4.0514 7.9064 105.6184 55.4003 26.2364 175.7562 119 H 5.1585 8.3151 115.5905 54.8125 33.1381 172.6386 120 V 4.6170 7.9168 119.2001 61.4431 33.8622 174.0771 121 Y 4.9438 8.4680 124.4162 56.2616 42.2562 173.9823 122 Y 5.3580 8.5324 117.8893 56.8379 40.8465 175.0802 123 T 5.4473 9.2035 121.6818 61.6515 72.3572 173.8020 124 T 4.8163 8.9306 116.5687 61.8261 69.9829 174.7401 125 I 4.5359 9.0398 117.2891 60.6727 38.8758 174.8775 126 K 4.7685 7.7927 121.3605 54.4405 37.0822 175.0602 127 N 4.7131 8.9077 121.2123 54.1334 38.9063 176.2329 128 V 3.8966 8.7986 127.5886 61.9731 32.6258 173.5312 129 E 4.6875 8.8098 124.1881 54.3456 31.2311 171.9791 130 P 4.5145 0.0000 0.0000 63.7283 30.6749 175.7157 *132 Q 4.3715 8.3005 126.0130 55.4179 30.2126 172.3352 133 E 3.3203 8.8974 127.0605 55.7857 30.6204 176.5979 134 L 4.5711 7.9664 128.6629 54.1031 41.8731 175.5974 135 K 4.9667 9.1862 124.0744 53.4470 35.9676 175.8525 136 V 4.8726 8.1905 123.1173 59.9304 34.6962 174.2256 137 W 5.1841 8.5262 130.7127 56.0245 34.8532 173.1377 138 Y 4.8992 6.7281 120.1334 58.0672 38.0155 176.5134 139 A 4.3736 9.4165 125.0844 51.8167 19.7276 178.2662 140 A 4.0988 9.3371 125.6177 56.3298 18.2041 181.2714 141 S 4.1321 8.1249 116.1465 63.8699 62.5442 177.7233 142 Y 4.6199 8.2891 122.8085 60.3149 38.4957 177.9724 143 A 3.5469 8.6925 124.8531 55.5239 18.5060 179.9272 144 E 3.9190 8.0824 116.6449 61.3589 29.5381 180.9391 145 F 4.4707 7.7612 120.6157 61.2025 39.4753 177.1371 146 V 3.0739 7.1356 116.9353 65.6024 31.2592 177.5250 147 N 4.5111 8.0597 117.9667 56.2981 38.4638 176.3183 148 Q 4.2977 7.7589 126.0783 57.5813 28.3412 180.1575 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 5 L 8.28 4.17 0.00 1.68 1.65 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 *6 H 7.93 4.46 0.00 3.00 2.93 0.00 7.16 0.00 0.00 0.00 0.00 7.03 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 4.48 0.00 2.17 2.08 0.00 3.67 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 8 I 8.16 4.42 1.87 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 1.47 0.84 0.91 0.00 0.00 9 P 0.00 4.64 0.00 2.17 2.07 0.00 3.75 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 1.97 1.98 0.00 10 N 8.57 4.35 0.00 2.73 2.82 0.00 0.00 6.93 7.66 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 11 R 8.25 4.18 0.00 1.77 1.82 0.00 3.24 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 12 P 0.00 4.36 0.00 2.09 1.97 0.00 3.72 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 2.02 2.07 0.00 13 V 8.20 4.02 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 0.82 0.00 0.00 0.94 0.00 0.00 14 L 8.23 4.51 0.00 1.71 1.64 0.95 0.95 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 15 T 8.15 4.11 4.51 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 0.00 0.00 0.00 1.27 0.00 0.00 16 R 8.72 3.89 0.00 1.91 2.01 0.00 3.19 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.75 0.00 17 A 8.23 4.10 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 7.94 4.24 0.00 2.05 2.06 0.00 3.45 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.96 0.00 19 A 8.18 4.17 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 20 S 7.90 4.39 0.00 4.26 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 21 L 7.55 3.29 0.00 1.78 1.56 0.61 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.25 0.00 1.99 1.91 0.00 2.20 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.94 0.00 23 L 8.30 4.13 0.00 1.62 1.71 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.61 4.08 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 0.87 0.00 0.00 0.95 0.00 0.00 25 L 7.60 5.29 0.00 1.30 1.45 0.03 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 8.65 4.94 0.00 3.00 2.95 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 27 I 8.19 5.25 1.78 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.70 0.65 0.00 0.00 28 D 9.22 4.34 0.00 2.05 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 29 R 8.59 3.82 0.00 1.87 1.84 0.00 3.29 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.25 0.00 *30 F 8.46 4.65 0.00 2.26 2.19 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 31 L 8.25 4.10 0.00 1.75 1.86 1.03 0.90 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 32 G 8.80 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 0.00 0.00 0.00 33 G 8.52 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 34 V 7.83 4.66 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 0.99 0.00 0.00 1.28 0.00 0.00 35 F 8.71 4.89 0.00 1.51 2.42 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 36 S 8.18 4.69 0.00 3.43 3.60 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 *38 R 8.46 4.31 0.00 1.62 1.84 0.00 3.23 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.22 0.00 39 R 8.53 4.48 0.00 1.59 1.74 0.00 3.17 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.23 0.00 40 I 8.70 4.65 1.99 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.96 1.06 0.00 0.00 41 P 0.00 4.99 0.00 1.94 1.99 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 2.02 2.10 0.00 42 K 8.58 4.24 0.00 1.57 1.62 0.00 1.91 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.12 7.81 43 R 8.44 3.90 0.00 2.01 1.92 0.00 3.22 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 44 T 7.73 4.32 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 0.79 0.00 0.00 45 Q 8.40 4.81 0.00 1.97 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.81 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 46 F 9.68 4.98 0.00 3.34 3.26 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 47 G 9.31 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 48 P 0.00 4.07 0.00 1.64 1.39 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.72 0.00 49 V 7.34 3.00 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 -0.65 0.00 0.00 0.20 0.00 0.00 50 E 8.24 4.51 0.00 1.74 1.69 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 2.13 2.22 0.00 51 G 8.35 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 52 P 0.00 4.49 0.00 2.11 2.00 0.00 3.77 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 53 L 8.53 5.14 0.00 1.40 1.39 0.77 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.86 4.66 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 0.71 0.00 0.00 0.93 0.00 0.00 55 R 8.74 4.06 0.00 1.82 1.88 0.00 3.20 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 56 G 8.35 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.90 4.23 0.00 3.93 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 58 E 7.86 4.54 0.00 1.98 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 2.13 1.86 0.00 59 L 7.43 4.46 0.00 1.33 1.38 0.31 1.03 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 60 K 8.24 4.55 0.00 1.49 1.61 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.71 7.81 61 D 8.21 4.63 0.00 2.56 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 62 C 7.37 4.37 0.00 2.98 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 6.47 4.93 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 64 I 8.40 3.87 1.92 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.40 1.04 0.00 0.00 65 H 8.88 5.08 0.00 3.36 3.40 0.00 5.71 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 9.09 5.11 0.00 2.10 2.05 1.08 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.28 3.99 0.00 0.79 0.74 0.00 0.93 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.54 0.49 7.81 68 V 8.48 4.21 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 0.80 0.00 0.00 0.64 0.00 0.00 69 S 9.19 4.46 0.00 3.82 3.94 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 *83 D 7.52 4.37 0.00 2.81 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 84 L 7.09 5.07 0.00 1.51 1.71 0.87 0.89 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 85 W 8.60 5.84 0.00 3.14 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 86 F 9.00 4.79 0.00 3.00 2.88 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 87 E 9.31 4.35 0.00 1.71 1.79 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 2.22 2.16 0.00 88 L 6.38 4.16 0.00 0.59 1.26 0.78 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.75 4.61 0.00 4.09 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 90 D 7.71 4.83 0.00 2.68 2.54 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 91 E 8.78 4.13 0.00 2.13 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 2.49 2.39 0.00 92 T 8.08 4.33 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 1.23 0.00 0.00 93 L 7.84 4.64 0.00 1.70 1.67 0.92 0.60 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 94 C 7.56 5.16 0.00 2.69 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 95 N 8.04 4.87 0.00 3.06 3.05 0.00 0.00 7.10 8.19 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 96 W 8.23 4.47 0.00 3.81 3.60 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 97 M 6.86 3.18 0.00 1.03 1.28 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.81 0.00 98 M 7.09 3.92 0.00 1.75 2.04 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.72 0.00 99 F 7.99 5.09 0.00 3.38 3.10 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 0.00 100 V 7.05 4.18 2.27 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 0.87 0.00 0.00 1.07 0.00 0.00 101 R 8.38 4.44 0.00 1.79 1.85 0.00 3.37 0.00 0.00 3.41 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.70 0.00 102 P 0.00 4.88 0.00 2.22 2.27 0.00 3.54 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.20 0.00 103 A 8.36 4.30 1.18 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 0.00 0.00 0.00 104 Q 9.00 3.93 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.66 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 105 N 7.59 4.94 0.00 2.81 2.76 0.00 0.00 6.41 7.90 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 *106 H 8.77 4.21 0.00 2.86 3.12 0.00 7.19 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 7.33 4.13 0.00 1.70 1.61 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 108 E 9.32 4.17 0.00 1.95 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 2.50 2.18 0.00 109 Q 7.48 4.37 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.73 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 110 N 8.76 5.11 0.00 2.88 3.00 0.00 0.00 6.08 6.67 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 0.00 111 L 8.33 5.33 0.00 1.64 1.52 1.03 1.13 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 0.00 112 V 9.25 5.01 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 0.74 0.00 0.00 0.93 0.00 0.00 113 A 9.05 5.72 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 7.37 4.23 0.00 3.02 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.07 4.69 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.71 0.00 0.00 0.00 0.00 0.00 2.28 2.53 0.00 116 Y 9.74 4.42 0.00 3.33 3.14 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 0.00 117 G 9.21 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 *118 H 7.91 4.05 0.00 3.05 2.97 0.00 7.15 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 H 8.32 5.16 0.00 2.92 2.64 0.00 5.56 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 V 7.92 4.62 1.98 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 0.95 0.00 0.00 1.03 0.00 0.00 121 Y 8.47 4.94 0.00 2.30 2.80 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 0.00 0.00 0.00 122 Y 8.53 5.36 0.00 2.95 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 0.00 123 T 9.20 5.45 4.58 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 1.35 0.00 0.00 124 T 8.93 4.82 4.51 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 0.00 0.00 0.00 1.51 0.00 0.00 125 I 9.04 4.54 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.77 0.99 0.00 0.00 126 K 7.79 4.77 0.00 1.71 1.72 0.00 1.92 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.47 7.81 127 N 8.91 4.71 0.00 2.63 2.83 0.00 0.00 6.82 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 0.00 128 V 8.80 3.90 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 0.67 0.00 0.00 0.93 0.00 0.00 129 E 8.81 4.69 0.00 1.75 1.76 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 2.22 1.87 0.00 130 P 0.00 4.51 0.00 2.13 2.20 0.00 3.81 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 2.02 2.01 0.00 *132 Q 8.30 4.37 0.00 1.79 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.12 0.00 0.00 0.00 0.00 0.00 2.26 1.94 0.00 133 E 8.90 3.32 0.00 1.36 1.58 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 1.87 1.47 0.00 134 L 7.97 4.57 0.00 1.48 1.46 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 135 K 9.19 4.97 0.00 1.81 1.71 0.00 1.60 0.00 0.00 1.83 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.24 1.23 7.81 136 V 8.19 4.87 1.59 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 0.50 0.00 0.00 -0.14 0.00 0.00 137 W 8.53 5.18 0.00 3.27 2.85 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 0.00 138 Y 6.73 4.90 0.00 2.67 2.71 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 0.00 139 A 9.42 4.37 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 0.00 140 A 9.34 4.10 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 0.00 141 S 8.12 4.13 0.00 3.75 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 0.00 142 Y 8.29 4.62 0.00 3.15 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 0.00 143 A 8.69 3.55 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 0.00 144 E 8.08 3.92 0.00 2.03 1.98 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 2.25 2.20 0.00 145 F 7.76 4.47 0.00 2.85 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 0.00 146 V 7.14 3.07 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 -0.20 0.00 0.00 147 N 8.06 4.51 0.00 2.67 2.83 0.00 0.00 6.90 7.31 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 0.00 148 Q 7.76 4.30 0.00 2.17 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.55 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.