NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 5.2623 8.3248 117.5933 53.3147 38.5020 174.0100 2 L 4.4608 7.9660 114.3018 55.3121 42.5413 177.5053 3 F 4.3317 8.9442 120.1724 60.8622 39.2073 177.2117 4 Q 4.1676 8.3892 116.8378 58.3830 28.4806 178.3738 5 F 4.5343 8.2504 121.5486 61.3072 39.5721 176.5664 6 A 3.6180 7.7790 120.2459 55.5625 17.5145 179.9443 7 R 3.9017 7.7008 116.1432 59.1938 29.8669 179.3860 8 L 4.1571 7.7501 118.1073 57.9302 41.9273 178.9345 9 I 3.9252 8.2590 120.0825 64.6896 36.9663 177.8087 10 D 4.5612 8.5333 118.9729 57.8609 40.6831 178.9741 11 A 3.8431 8.8736 120.0443 55.1952 18.2321 179.2322 12 K 4.3481 8.1275 115.5448 55.9621 32.7433 177.6781 13 Q 4.6426 8.7081 113.7022 55.6142 30.9504 178.0038 14 E 4.6629 6.9767 129.7127 55.7650 34.2747 174.0184 *16 A 4.4411 8.3511 120.1600 52.7668 19.6057 176.6991 17 F 3.9886 10.0398 122.7506 58.8098 38.8022 176.8824 18 S 3.9359 8.2313 116.8613 61.5915 62.5398 175.5479 19 F 4.2025 8.1170 112.4862 57.6450 37.2270 176.4203 20 F 3.1396 6.5078 124.9822 59.6670 39.9440 176.9791 21 K 3.3916 7.3744 118.5791 60.2549 32.7470 177.8563 22 Y 4.5873 6.2313 113.9015 58.6724 37.9561 176.5927 23 I 3.9032 8.3649 124.1215 64.3925 38.0567 176.3953 24 S 5.3143 7.6643 111.4220 57.1736 62.8132 172.3190 25 Y 4.6512 8.1460 121.6531 57.4402 40.5337 175.8387 26 G 3.9238 9.6854 122.2970 45.7860 0.0000 172.5946 27 C 4.9045 9.8171 123.0898 56.1503 43.1119 174.8568 28 Y 4.2328 8.4381 114.7910 58.3356 40.3705 175.5420 29 C 4.6600 8.5102 118.3412 57.7550 42.2839 173.7516 30 G 4.3419 8.8540 115.3055 46.8352 0.0000 176.4204 31 W 4.5340 9.5369 126.0862 56.1523 30.2122 174.7973 32 G 3.8109 8.3624 117.5038 47.2658 0.0000 173.8073 33 G 4.1470 9.8726 116.5197 44.8797 0.0000 172.5483 34 Q 4.4658 7.0141 115.1913 55.4602 31.7729 175.6306 35 G 4.2576 8.8613 105.4755 44.3958 0.0000 171.8663 36 T 5.2227 7.7658 108.0795 58.1378 71.0787 172.4091 37 P 4.5409 0.0000 0.0000 63.2476 32.0842 176.5516 38 K 4.1664 9.2188 121.8728 58.2655 32.5324 176.3605 39 D 4.7639 7.3195 113.9224 50.9497 42.2486 174.3476 40 A 4.0157 8.6425 118.8962 56.6789 17.9646 179.5215 41 T 3.7189 7.7286 111.8726 67.2657 68.2938 175.5853 42 D 4.5397 8.8166 119.3700 58.0458 41.3272 179.2023 43 R 4.0050 8.0902 118.8152 59.3781 29.9278 178.3252 44 C 4.0147 8.1139 117.0829 62.6030 27.6264 174.5351 45 C 4.7245 7.8549 114.5135 57.8028 35.9162 174.6520 46 F 4.1823 7.5754 122.9407 59.9255 40.0115 177.5479 47 V 3.2263 7.6644 117.8495 65.8421 31.1977 177.2932 48 H 3.7846 8.6552 118.8615 59.3466 29.6537 176.9002 49 D 4.1183 7.4733 119.9056 57.5510 40.7487 177.7738 50 C 3.7428 8.0879 117.3315 60.3377 39.5110 175.4499 51 C 4.0319 8.3298 119.7810 60.2956 42.9973 175.1995 52 Y 3.9566 7.9361 116.5155 61.1817 37.4246 178.6217 53 A 4.1676 8.1536 121.3693 55.0542 18.7227 179.5328 54 R 4.2422 7.8131 114.6147 57.1637 30.3178 177.2853 55 V 3.7777 7.1105 117.7902 62.0860 30.6626 174.8612 56 K 4.3956 8.2459 127.0464 54.6928 34.0970 177.6003 *58 G 4.1846 8.5364 110.2812 43.5541 0.0000 171.0561 59 C 5.3084 7.8396 114.0864 53.9093 38.8398 172.0292 *61 N 4.7461 7.8374 117.8661 53.2619 38.7069 172.0860 *68 P 4.0395 0.0000 0.0000 62.3902 33.7917 177.9540 69 K 4.2065 7.7380 120.0350 58.4063 32.6687 178.1832 70 L 4.4754 7.2892 115.0318 54.7620 42.5590 176.1397 71 V 3.9084 7.5481 119.9788 61.3709 31.7353 175.2099 72 E 4.5210 8.7434 128.9893 54.0438 28.6105 174.9138 73 Y 4.7935 7.5326 125.5932 56.5230 39.9528 174.6549 74 S 4.9893 8.9043 112.3289 57.1606 66.2067 171.6850 75 Y 5.1063 7.8069 123.2658 55.5837 41.3825 174.5736 76 S 4.5199 8.6773 110.5201 58.3096 66.4235 174.8058 77 Y 4.7831 8.7055 124.1180 55.8279 38.9736 174.2251 78 R 4.1886 8.2376 127.3632 55.0232 30.2771 175.8996 79 T 3.2473 9.0940 113.5532 61.9849 67.5993 171.6703 80 G 3.5382 6.0405 108.0010 45.1596 0.0000 174.1333 81 K 4.5838 7.5499 118.8453 53.9665 34.9332 176.2446 82 I 4.0484 8.7894 126.6904 62.1008 37.7303 176.5929 83 V 4.3409 9.5200 128.5101 60.2059 32.0689 173.6548 84 C 4.4875 8.7499 122.7521 57.2683 40.5671 173.6780 85 G 3.8544 9.8166 107.3714 46.2666 0.0000 173.4728 86 G 3.9535 7.6119 108.9983 45.2535 0.0000 173.7427 *88 D 4.9699 8.7532 120.2545 53.3294 42.5794 173.8166 89 D 5.1656 7.5739 115.8779 50.8952 43.5565 175.6925 90 P 4.6317 0.0000 0.0000 62.6991 29.5742 182.9520 91 C 3.7646 8.0083 121.7722 58.7990 42.6254 174.6372 92 L 3.7153 7.6734 121.7024 56.7307 41.4665 179.1651 93 R 4.0756 8.6417 119.9290 58.6568 30.4138 177.8360 94 A 3.9250 7.8394 118.4899 54.9813 18.4997 179.3980 95 V 3.5162 8.8091 117.6825 66.0575 31.6806 177.0889 96 C 3.0906 7.6760 118.1733 59.7556 37.4457 175.6437 97 E 3.7561 8.6435 120.0296 59.4611 29.0319 178.5481 98 C 4.1058 7.8956 116.4278 60.2067 36.5542 176.1004 99 D 3.5184 7.7497 119.5167 57.7523 40.4616 177.8054 100 R 3.6775 7.9824 118.7203 59.7161 29.6902 178.0537 101 V 3.4698 7.8954 116.2826 66.4552 31.8620 178.1973 102 A 3.4744 7.8351 119.6527 55.2598 18.0122 179.4379 103 A 4.3961 8.6075 119.3270 55.6110 18.2177 179.9828 104 I 3.7046 7.9326 118.4919 64.5228 37.0030 178.0542 105 C 4.1681 8.6099 118.9720 61.6229 31.4926 174.8805 106 F 4.5892 7.7706 119.3954 59.9461 38.6866 177.4280 107 R 4.0203 8.3975 119.1094 58.3354 30.3021 176.6243 108 E 4.4470 7.8479 116.1963 57.4253 30.8669 176.0062 109 N 4.9915 8.7548 115.1298 53.0869 38.9771 175.7090 110 M 4.2283 8.3523 118.0198 57.4575 32.0686 176.0253 111 N 4.8021 8.0529 115.6319 55.4522 40.2273 176.1076 112 T 3.8643 8.0427 106.8486 62.9963 69.1421 173.3039 113 Y 4.0400 7.2977 124.1766 58.0855 37.7210 173.9618 114 D 4.6117 8.9382 124.9602 52.5863 40.5076 176.7789 115 K 4.2172 8.8552 129.5059 59.6731 32.3752 178.5176 116 K 3.9192 8.0663 117.0774 58.8967 32.2150 177.9316 117 Y 3.8489 7.8601 117.8348 60.2928 37.8521 176.1974 118 M 4.2205 6.9775 116.7136 56.4805 31.5516 176.0935 119 L 3.6321 10.8200 122.3651 55.4075 39.3437 173.8299 120 Y 4.4641 7.9729 119.0581 57.7489 39.9531 173.8580 121 S 4.8296 8.8221 114.7019 56.1903 64.3111 174.4052 122 I 3.4897 8.5483 128.2697 64.5415 37.1301 177.5551 *124 F 4.4846 7.9366 119.6050 58.1665 40.6678 175.3053 125 D 4.3595 8.1666 118.3173 55.5961 41.2232 176.0057 126 C 4.7352 8.0404 118.2339 56.6266 40.3485 174.6150 127 K 4.4325 7.3623 115.0622 55.6678 32.5148 176.9937 128 E 4.4296 7.0905 119.1574 55.1413 32.5972 174.1387 129 E 3.9176 8.2722 124.8408 52.8004 27.8356 176.6706 130 S 4.2527 8.5723 118.2838 58.3674 63.5899 173.9378 131 D 4.6061 8.5607 124.5838 53.4893 41.6374 175.8536 132 Q 4.3399 8.9212 124.9097 56.9166 29.9903 177.4931 133 C 4.3173 8.6280 119.4511 57.0780 41.5533 173.8636 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 N 8.32 5.26 0.00 2.67 2.86 0.00 0.00 5.97 6.90 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 2 L 7.97 4.46 0.00 1.61 1.69 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 3 F 8.94 4.33 0.00 3.32 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 4 Q 8.39 4.17 0.00 1.88 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.93 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 5 F 8.25 4.53 0.00 3.35 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 6 A 7.78 3.62 0.48 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 7 R 7.70 3.90 0.00 2.10 2.05 0.00 3.21 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.91 0.00 8 L 7.75 4.16 0.00 1.88 1.77 0.61 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.26 3.93 2.01 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.31 1.03 0.00 0.00 10 D 8.53 4.56 0.00 2.99 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 11 A 8.87 3.84 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 12 K 8.13 4.35 0.00 2.16 1.98 0.00 1.76 0.00 0.00 1.83 0.00 0.00 3.17 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.55 1.71 7.81 13 Q 8.71 4.64 0.00 1.94 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.66 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 14 E 6.98 4.66 0.00 2.01 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 2.19 2.50 0.00 *16 A 8.35 4.44 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 17 F 10.04 3.99 0.00 3.08 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 18 S 8.23 3.94 0.00 3.98 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 19 F 8.12 4.20 0.00 3.10 3.31 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 20 F 6.51 3.14 0.00 1.51 2.32 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 21 K 7.37 3.39 0.00 1.99 1.85 0.00 0.61 0.00 0.00 1.10 0.00 0.00 2.38 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.89 0.21 7.81 22 Y 6.23 4.59 0.00 2.73 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 23 I 8.36 3.90 1.58 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.96 1.09 0.00 0.00 24 S 7.66 5.31 0.00 4.04 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 25 Y 8.15 4.65 0.00 3.28 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 26 G 9.69 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 27 C 9.82 4.90 0.00 2.89 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 28 Y 8.44 4.23 0.00 3.23 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 29 C 8.51 4.66 0.00 3.38 3.42 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 30 G 8.85 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 W 9.54 4.53 0.00 3.27 3.25 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 32 G 8.36 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 9.87 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 34 Q 7.01 4.47 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.37 0.00 0.00 0.00 0.00 0.00 2.10 2.35 0.00 35 G 8.86 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 0.00 0.00 0.00 0.00 36 T 7.77 5.22 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 1.39 0.00 0.00 37 P 0.00 4.54 0.00 1.91 1.91 0.00 3.43 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.17 0.00 38 K 9.22 4.17 0.00 0.98 0.97 0.00 1.87 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.43 7.81 39 D 7.32 4.76 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 40 A 8.64 4.02 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 41 T 7.73 3.72 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 0.93 0.00 0.00 42 D 8.82 4.54 0.00 3.17 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 43 R 8.09 4.01 0.00 2.09 2.01 0.00 3.14 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 44 C 8.11 4.01 0.00 2.09 2.39 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 45 C 7.85 4.72 0.00 3.37 3.44 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 0.00 46 F 7.58 4.18 0.00 2.38 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 47 V 7.66 3.23 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 0.76 0.00 0.00 0.93 0.00 0.00 48 H 8.66 3.78 0.00 3.02 3.17 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.47 4.12 0.00 2.80 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.09 3.74 0.00 2.73 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 51 C 8.33 4.03 0.00 2.93 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 52 Y 7.94 3.96 0.00 2.89 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 53 A 8.15 4.17 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 54 R 7.81 4.24 0.00 1.88 1.95 0.00 3.11 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 55 V 7.11 3.78 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 0.64 0.00 0.00 0.91 0.00 0.00 56 K 8.25 4.40 0.00 1.81 1.66 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 1.55 7.81 *58 G 8.54 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 0.00 0.00 0.00 0.00 59 C 7.84 5.31 0.00 3.18 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 *61 N 7.84 4.75 0.00 2.73 2.74 0.00 0.00 7.66 7.71 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 *68 P 0.00 4.04 0.00 2.00 0.49 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.64 0.00 69 K 7.74 4.21 0.00 1.84 1.79 0.00 1.64 0.00 0.00 1.77 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.42 7.81 70 L 7.29 4.48 0.00 1.66 1.63 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.55 3.91 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 0.79 0.00 0.00 0.95 0.00 0.00 72 E 8.74 4.52 0.00 1.93 1.85 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 2.15 2.31 0.00 73 Y 7.53 4.79 0.00 3.01 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 74 S 8.90 4.99 0.00 3.91 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 75 Y 7.81 5.11 0.00 3.04 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 8.68 4.52 0.00 3.93 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 77 Y 8.71 4.78 0.00 2.90 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 78 R 8.24 4.19 0.00 1.85 1.77 0.00 3.37 0.00 0.00 3.38 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 79 T 9.09 3.25 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 1.15 0.00 0.00 80 G 6.04 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 81 K 7.55 4.58 0.00 1.59 1.74 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.43 7.81 82 I 8.79 4.05 1.91 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 1.35 0.63 0.81 0.00 0.00 83 V 9.52 4.34 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 1.03 0.00 0.00 1.04 0.00 0.00 84 C 8.75 4.49 0.00 2.88 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 85 G 9.82 3.85 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 0.00 0.00 0.00 86 G 7.61 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 0.00 0.00 0.00 *88 D 8.75 4.97 0.00 2.69 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.57 5.17 0.00 2.77 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 90 P 0.00 4.63 0.00 2.18 1.48 0.00 3.58 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 2.09 2.05 0.00 91 C 8.01 3.76 0.00 2.98 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 92 L 7.67 3.72 0.00 1.96 1.79 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.64 4.08 0.00 2.06 1.89 0.00 3.09 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 94 A 7.84 3.93 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 95 V 8.81 3.52 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 0.88 0.00 0.00 0.80 0.00 0.00 96 C 7.68 3.09 0.00 2.75 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 97 E 8.64 3.76 0.00 2.08 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 2.25 2.43 0.00 98 C 7.90 4.11 0.00 3.26 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 99 D 7.75 3.52 0.00 2.64 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 0.00 100 R 7.98 3.68 0.00 1.73 1.86 0.00 3.07 0.00 0.00 3.21 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 101 V 7.90 3.47 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 0.86 0.00 0.00 0.90 0.00 0.00 102 A 7.84 3.47 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 0.00 103 A 8.61 4.40 1.63 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 0.00 104 I 7.93 3.70 1.98 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 1.44 0.98 0.91 0.00 0.00 105 C 8.61 4.17 0.00 2.70 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 0.00 106 F 7.77 4.59 0.00 3.38 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 0.00 107 R 8.40 4.02 0.00 1.96 2.29 0.00 3.59 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.92 0.00 108 E 7.85 4.45 0.00 2.29 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 2.26 2.27 0.00 109 N 8.75 4.99 0.00 2.80 2.84 0.00 0.00 6.49 8.23 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 0.00 110 M 8.35 4.23 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.53 0.00 111 N 8.05 4.80 0.00 2.84 2.84 0.00 0.00 6.95 7.22 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 0.00 112 T 8.04 3.86 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 1.28 0.00 0.00 113 Y 7.30 4.04 0.00 2.89 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 0.00 114 D 8.94 4.61 0.00 2.74 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 0.00 115 K 8.86 4.22 0.00 1.97 1.86 0.00 1.84 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.66 7.81 116 K 8.07 3.92 0.00 1.58 1.37 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.31 1.35 7.81 117 Y 7.86 3.85 0.00 1.95 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 0.00 118 M 6.98 4.22 0.00 2.38 2.14 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.91 0.00 119 L 10.82 3.63 0.00 1.80 1.81 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 7.97 4.46 0.00 3.06 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 0.00 121 S 8.82 4.83 0.00 4.00 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 0.00 122 I 8.55 3.49 1.88 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 1.28 0.55 0.90 0.00 0.00 *124 F 7.94 4.48 0.00 2.98 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 0.00 125 D 8.17 4.36 0.00 1.58 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 0.00 0.00 0.00 126 C 8.04 4.74 0.00 2.84 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 0.00 127 K 7.36 4.43 0.00 1.40 1.55 0.00 1.15 0.00 0.00 1.39 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.15 1.27 7.81 128 E 7.09 4.43 0.00 1.86 1.68 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 0.00 2.21 2.24 0.00 129 E 8.27 3.92 0.00 2.00 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 2.28 2.29 0.00 130 S 8.57 4.25 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 0.00 131 D 8.56 4.61 0.00 2.07 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 0.00 132 Q 8.92 4.34 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.87 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 133 C 8.63 4.32 0.00 2.92 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 * Residues marked with a * may have inaccurate shift predictions.