NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3794 8.2649 123.5962 52.0289 19.9372 175.7415 2 N 4.7382 8.6219 116.7701 50.8976 40.7053 172.7919 3 A 4.7807 8.4683 125.4475 49.3678 22.9430 174.9827 4 F 4.0004 8.8278 120.7364 59.7127 39.4579 171.1067 5 L 3.2178 7.8936 135.0000 53.9927 41.6538 174.4625 *8 L 4.3003 8.4270 121.7660 54.6105 43.6327 177.8669 9 R 4.1560 7.6562 116.0064 54.7843 30.7790 174.5646 10 P 4.3728 0.0000 0.0000 62.1856 32.0088 176.6369 11 G 3.5971 8.2250 109.2631 45.6442 0.0000 173.3896 12 S 4.3195 8.1194 116.5469 56.0314 65.1154 174.1101 13 L 3.6518 8.3267 126.1932 56.4520 41.3180 177.5753 *15 R 4.1277 7.8830 114.5693 56.1536 31.1649 176.5822 *17 C 4.8999 8.0635 113.9750 56.7515 42.0354 173.8430 18 K 4.3741 7.6625 118.1506 56.4824 32.1241 176.5523 *21 Q 4.2907 8.0223 119.1798 56.0757 29.8903 172.6066 22 C 5.0811 9.1858 120.3618 53.5066 43.6841 173.9942 23 S 4.8980 8.5529 117.3205 57.4388 64.2641 174.7326 24 F 2.8013 8.1125 122.5410 58.0696 36.7005 174.5116 *27 A 4.1615 7.9753 127.0916 51.7295 20.7365 180.5469 28 R 4.4074 7.5247 116.7048 55.6115 29.2906 178.7690 *30 I 3.8270 7.9392 117.2610 61.0029 38.8277 177.5764 31 F 4.1534 7.6663 116.8964 58.1137 38.3374 174.6874 32 K 4.0019 7.6557 121.3011 56.6076 31.4952 175.4294 33 D 4.3769 7.7773 116.9985 54.8404 42.1910 177.8671 34 A 4.0024 8.5258 124.1955 53.6229 18.3649 179.3342 *36 R 4.2313 8.0316 119.0864 57.6713 32.1707 178.2070 37 T 3.6832 7.8378 114.3461 66.5342 68.3167 176.9510 38 K 4.3114 8.2950 120.4545 59.4134 31.8843 179.1365 39 L 3.9832 7.8993 119.2676 58.0151 42.2451 178.4812 40 F 4.2003 8.0323 120.4199 60.9073 39.3126 177.0728 41 W 4.2150 8.8519 128.7612 60.3587 30.2858 177.5454 42 I 3.6585 7.7905 112.2159 64.4110 37.0200 177.8102 43 S 4.2291 7.7059 115.8178 60.5854 62.9101 175.6228 44 Y 3.7163 7.1823 121.7880 60.1927 38.4022 176.9783 45 S 4.0326 7.1121 110.9976 57.7104 63.2005 174.4837 46 D 4.1531 7.3424 122.2068 55.3899 41.1536 176.3867 47 G 3.8761 7.8151 106.4132 45.4960 0.0000 172.5445 48 D 4.6518 8.2043 121.5965 52.9401 40.6438 176.9886 49 Q 4.1944 8.5669 126.3400 58.0248 28.9078 177.0017 50 C 4.2797 8.6568 115.2478 57.4845 40.7259 175.3546 51 A 3.7180 7.7399 122.9921 55.2472 17.9284 178.7634 52 S 4.1815 7.8900 109.0023 58.8171 63.6764 173.8912 53 S 3.6248 7.8224 116.6186 59.0389 60.2834 171.2642 54 P 4.1517 0.0000 0.0000 65.2055 31.8932 177.7381 55 C 4.4110 7.8332 116.4021 56.4521 34.3832 173.3808 56 Q 4.1642 8.7977 125.0180 55.1438 29.6824 175.4510 57 N 3.9389 9.3158 113.6323 54.5440 35.7522 175.4495 58 G 3.7887 8.1166 100.7604 46.0828 0.0000 173.8768 59 G 3.9972 7.6262 106.5971 45.7134 0.0000 173.6283 60 S 4.9151 9.1656 116.1946 56.6070 65.6535 172.9637 61 C 5.0818 8.8617 125.1546 55.7531 45.8609 172.3508 62 K 4.6561 9.2311 127.6549 54.4250 34.1827 174.6966 63 D 4.9509 8.8226 127.6706 54.6666 42.0980 174.9528 64 Q 4.5460 8.5625 122.5670 53.9708 33.2150 174.4718 65 L 4.1283 8.4188 118.9118 56.0293 41.3532 177.1893 66 Q 3.4427 9.3602 124.5646 56.4134 27.0960 173.5591 67 S 4.5673 7.6008 110.3859 58.6607 65.1396 173.4666 68 Y 5.2596 7.6520 117.6510 56.3937 41.2156 174.0799 69 I 4.5887 8.9767 118.9679 60.1173 41.5811 173.8670 70 C 5.3801 8.9507 124.4402 55.6377 39.4804 172.9591 71 F 4.6757 9.4983 123.3975 56.3532 40.2927 174.9083 72 C 5.1935 8.7635 120.8712 55.1282 44.0039 173.6007 73 L 4.5065 8.5562 119.8011 53.8105 42.3150 176.6162 74 P 4.1309 0.0000 0.0000 66.0533 31.5969 177.2721 75 A 4.2678 7.8144 118.9038 51.8540 18.3616 176.3035 76 F 5.3748 8.0094 116.0944 57.4138 43.1945 173.7622 77 E 4.5764 9.0967 120.0176 55.0475 32.6658 174.5661 78 G 4.2719 8.9958 104.6949 44.7876 0.0000 174.4534 79 R 3.8386 8.6035 120.2370 58.9414 30.0532 177.3886 80 N 5.0380 8.5547 113.8912 52.9729 39.0681 174.0788 81 C 4.5893 8.2293 113.2696 57.9754 38.3994 174.5076 82 E 4.0021 8.2829 118.0362 58.2622 30.1344 176.5459 83 T 4.2404 8.1016 118.3263 63.0489 69.3432 173.5121 84 H 4.6784 8.8512 124.1712 54.4368 28.6299 176.3145 85 K 3.9785 8.1995 125.4567 59.1221 31.9575 178.0905 86 D 4.6650 7.8900 116.1227 54.7896 40.9469 176.1512 87 D 5.0355 8.0097 119.1775 54.3941 41.3479 176.3969 88 Q 4.6198 7.9634 115.9758 55.7649 29.9569 176.8766 89 L 4.3487 7.8425 119.4946 54.1190 40.8423 175.4076 90 I 4.7620 7.0103 114.5857 58.6248 41.4060 178.0206 91 C 4.2686 9.5147 119.8156 60.4252 40.1422 177.0402 92 V 3.3417 7.7138 111.1100 63.3893 31.4707 175.7299 93 N 4.5322 8.1065 119.1361 52.7227 37.8334 174.3932 94 E 3.8656 9.1129 128.6347 57.7980 27.4400 174.9006 95 N 4.7535 8.4455 110.1812 53.2518 37.7387 174.3127 96 G 3.6529 9.0075 101.0856 45.7009 0.0000 175.8145 97 G 3.9413 8.3439 106.5904 45.2358 0.0000 173.9789 98 C 4.4776 7.8427 117.8659 56.4614 40.8427 173.6406 99 E 3.9997 9.0469 125.9237 58.4519 30.3550 176.8287 100 Q 4.1875 8.0347 112.5264 55.9132 31.0265 176.3967 101 Y 4.9641 5.5522 119.9892 57.7702 41.0020 174.7752 102 C 5.3973 8.7688 121.4386 54.9883 47.8508 173.0895 103 S 4.7896 9.0073 121.7495 56.7656 65.4943 173.7222 104 D 4.8515 8.6635 124.3862 54.5152 42.2328 176.4029 105 H 4.6282 8.3805 117.6324 54.8067 31.3571 173.5632 106 T 3.9104 8.3712 115.7189 63.0246 69.1963 172.8810 107 G 4.2246 9.3602 112.7102 45.2677 0.0000 172.5546 108 T 4.7445 7.0655 107.7302 59.0291 71.6949 173.3359 109 K 4.2880 8.3427 120.0237 56.3132 33.5094 176.6496 110 R 4.4683 8.2988 116.9886 56.3960 30.4852 175.5802 111 S 4.9118 9.0093 114.0633 56.8809 66.3988 172.2630 112 C 5.4407 8.7701 118.0868 55.8037 42.2436 172.8168 113 R 4.8275 8.8720 119.5816 55.1474 34.8786 173.0067 114 C 5.1195 8.5099 115.7157 55.3468 38.7271 174.0620 115 H 4.5766 9.2066 120.4722 55.2515 30.2241 174.4171 116 E 4.0410 8.3756 124.4342 58.2145 29.8609 177.4988 117 G 3.9852 9.5810 112.2719 45.3823 0.0000 172.0678 118 Y 5.2621 7.6740 115.1501 56.3140 42.2083 174.9050 119 S 4.8413 9.1865 116.9341 56.5002 67.3564 173.1829 120 L 4.5752 8.5020 125.3871 54.9410 42.7756 176.7600 121 L 4.4204 8.9526 126.8021 53.9009 42.9510 177.8985 122 A 4.0394 8.6585 122.4347 55.3833 18.2132 178.5641 123 D 4.3706 8.1116 114.3251 54.2210 39.6408 177.8742 124 G 4.0703 8.2360 107.9607 46.0557 0.0000 174.4848 125 V 4.3736 7.6748 111.6378 61.6677 35.4077 176.1538 126 S 4.9425 8.7696 116.0490 57.9218 64.6319 172.8612 127 C 5.5325 9.3714 119.9383 55.4712 41.1502 173.4953 128 T 4.9036 8.8137 117.6871 59.3569 70.2489 171.4232 129 P 4.3218 0.0000 0.0000 62.7582 31.9294 176.1360 130 T 4.5543 8.4751 112.7378 61.4619 69.6081 173.6816 131 V 4.4860 7.2089 113.8877 59.6492 35.9710 175.0892 132 E 3.8182 8.7259 121.4179 58.8620 29.7131 176.5600 133 Y 4.6847 7.3126 115.3939 55.0725 37.7009 173.2587 134 P 4.3838 0.0000 0.0000 61.9510 32.6250 176.9359 135 C 4.4119 8.4614 114.8178 59.5825 30.1055 174.0874 136 G 3.9586 8.8967 108.8576 45.7492 0.0000 173.3080 137 K 4.5760 7.5017 117.9994 54.4197 34.6632 176.4057 138 I 4.2856 7.9889 123.6097 59.0324 37.2509 174.6113 139 P 4.2742 0.0000 0.0000 65.6208 31.2725 178.9514 140 I 3.9652 7.7952 108.3591 62.5479 37.6496 176.2301 141 L 4.4776 7.9335 120.0667 55.1026 42.7747 176.2974 142 E 4.2048 7.8014 122.3473 56.4549 29.4556 176.0487 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 A 8.26 4.38 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 2 N 8.62 4.74 0.00 2.80 2.74 0.00 0.00 6.71 6.46 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 3 A 8.47 4.78 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 4 F 8.83 4.00 0.00 2.93 3.08 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 5 L 7.89 3.22 0.00 1.28 1.31 0.59 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 *8 L 8.43 4.30 0.00 1.69 1.71 0.81 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 9 R 7.66 4.16 0.00 1.75 1.81 0.00 3.18 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 10 P 0.00 4.37 0.00 1.98 1.93 0.00 3.63 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 1.98 2.04 0.00 11 G 8.22 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 0.00 0.00 0.00 12 S 8.12 4.32 0.00 3.70 3.63 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 13 L 8.33 3.65 0.00 1.41 1.45 0.53 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 *15 R 7.88 4.13 0.00 1.82 1.92 0.00 3.31 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 *17 C 8.06 4.90 0.00 3.09 2.93 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 18 K 7.66 4.37 0.00 1.80 1.87 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.49 7.81 *21 Q 8.02 4.29 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 22 C 9.19 5.08 0.00 3.23 3.15 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 23 S 8.55 4.90 0.00 4.13 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 24 F 8.11 2.80 0.00 1.97 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 *27 A 7.98 4.16 1.49 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 0.00 0.00 0.00 28 R 7.52 4.41 0.00 1.37 1.70 0.00 3.33 0.00 0.00 3.24 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.63 0.00 *30 I 7.94 3.83 1.31 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.41 0.12 0.00 0.00 31 F 7.67 4.15 0.00 2.96 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 32 K 7.66 4.00 0.00 1.91 1.85 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.31 7.81 33 D 7.78 4.38 0.00 2.77 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 34 A 8.53 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 *36 R 8.03 4.23 0.00 1.93 1.98 0.00 3.19 0.00 0.00 3.41 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.89 0.00 37 T 7.84 3.68 4.32 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 0.66 0.00 0.00 38 K 8.30 4.31 0.00 1.91 1.98 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.66 1.77 7.81 39 L 7.90 3.98 0.00 1.62 1.83 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.03 4.20 0.00 2.50 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 41 W 8.85 4.21 0.00 3.83 3.32 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 42 I 7.79 3.66 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.68 1.02 0.00 0.00 43 S 7.71 4.23 0.00 3.74 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 44 Y 7.18 3.72 0.00 1.73 2.28 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 45 S 7.11 4.03 0.00 3.45 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 46 D 7.34 4.15 0.00 2.74 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 47 G 7.82 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 0.00 0.00 0.00 48 D 8.20 4.65 0.00 2.71 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.57 4.19 0.00 2.36 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.68 0.00 0.00 0.00 0.00 0.00 2.56 2.43 0.00 50 C 8.66 4.28 0.00 3.33 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 51 A 7.74 3.72 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 52 S 7.89 4.18 0.00 3.75 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 53 S 7.82 3.62 0.00 3.90 3.82 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 54 P 0.00 4.15 0.00 1.82 1.80 0.00 3.48 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.66 0.00 55 C 7.83 4.41 0.00 2.97 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 56 Q 8.80 4.16 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.31 6.22 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 57 N 9.32 3.94 0.00 1.85 1.42 0.00 0.00 6.90 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 58 G 8.12 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 0.00 0.00 0.00 59 G 7.63 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 0.00 0.00 0.00 60 S 9.17 4.92 0.00 3.72 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 61 C 8.86 5.08 0.00 2.95 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 62 K 9.23 4.66 0.00 2.11 1.88 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.67 7.81 63 D 8.82 4.95 0.00 2.83 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 64 Q 8.56 4.55 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.67 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 65 L 8.42 4.13 0.00 1.62 1.62 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 9.36 3.44 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.79 0.00 0.00 0.00 0.00 0.00 2.50 2.41 0.00 67 S 7.60 4.57 0.00 3.79 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 68 Y 7.65 5.26 0.00 3.06 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 69 I 8.98 4.59 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.70 0.69 0.00 0.00 70 C 8.95 5.38 0.00 3.05 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 71 F 9.50 4.68 0.00 2.98 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 72 C 8.76 5.19 0.00 3.01 3.15 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 73 L 8.56 4.51 0.00 2.13 1.76 1.08 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.13 0.00 2.02 2.15 0.00 3.73 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 2.06 2.16 0.00 75 A 7.81 4.27 0.80 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 0.00 0.00 76 F 8.01 5.37 0.00 3.12 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 77 E 9.10 4.58 0.00 2.13 2.06 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 2.22 2.28 0.00 78 G 9.00 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 0.00 0.00 0.00 79 R 8.60 3.84 0.00 1.76 2.01 0.00 3.21 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 80 N 8.55 5.04 0.00 2.99 2.99 0.00 0.00 7.10 6.97 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 81 C 8.23 4.59 0.00 3.18 3.11 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 0.00 0.00 0.00 82 E 8.28 4.00 0.00 2.16 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 2.31 2.30 0.00 83 T 8.10 4.24 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 1.26 0.00 0.00 84 H 8.85 4.68 0.00 3.27 3.29 0.00 5.62 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.20 3.98 0.00 1.71 1.81 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.66 1.43 7.81 86 D 7.89 4.67 0.00 2.62 2.66 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 0.00 0.00 0.00 0.00 87 D 8.01 5.04 0.00 2.80 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 88 Q 7.96 4.62 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.63 0.00 0.00 0.00 0.00 0.00 2.50 2.24 0.00 89 L 7.84 4.35 0.00 1.58 1.60 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 90 I 7.01 4.76 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 1.59 0.58 0.91 0.00 0.00 91 C 9.51 4.27 0.00 3.16 3.18 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 92 V 7.71 3.34 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 0.66 0.00 0.00 0.93 0.00 0.00 93 N 8.11 4.53 0.00 2.83 2.97 0.00 0.00 7.10 7.58 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 94 E 9.11 3.87 0.00 2.16 1.97 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 2.30 2.21 0.00 95 N 8.45 4.75 0.00 2.93 2.80 0.00 0.00 7.56 7.91 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 96 G 9.01 3.65 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 0.00 0.00 0.00 97 G 8.34 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 0.00 0.00 0.00 98 C 7.84 4.48 0.00 3.12 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 99 E 9.05 4.00 0.00 1.91 1.94 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 2.21 2.22 0.00 100 Q 8.03 4.19 0.00 1.73 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.65 0.00 0.00 0.00 0.00 0.00 1.89 2.04 0.00 101 Y 5.55 4.96 0.00 2.91 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 0.00 102 C 8.77 5.40 0.00 3.04 2.93 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 0.00 103 S 9.01 4.79 0.00 3.73 3.61 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 0.00 104 D 8.66 4.85 0.00 2.51 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 0.00 105 H 8.38 4.63 0.00 3.27 3.15 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 T 8.37 3.91 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 0.00 107 G 9.36 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 0.00 0.00 0.00 0.00 108 T 7.07 4.74 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 1.21 0.00 0.00 109 K 8.34 4.29 0.00 1.90 1.86 0.00 1.59 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.45 7.81 110 R 8.30 4.47 0.00 1.96 1.98 0.00 3.04 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 111 S 9.01 4.91 0.00 3.92 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 0.00 112 C 8.77 5.44 0.00 3.02 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 0.00 113 R 8.87 4.83 0.00 1.87 1.91 0.00 3.14 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 114 C 8.51 5.12 0.00 2.81 2.98 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 0.00 0.00 0.00 115 H 9.21 4.58 0.00 2.77 2.99 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.38 4.04 0.00 1.97 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 2.35 2.37 0.00 117 G 9.58 3.99 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 0.00 0.00 0.00 118 Y 7.67 5.26 0.00 2.87 2.77 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 0.00 119 S 9.19 4.84 0.00 3.71 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 0.00 120 L 8.50 4.58 0.00 1.65 1.59 0.96 1.04 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 0.00 121 L 8.95 4.42 0.00 1.78 1.60 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.66 4.04 1.28 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 0.00 123 D 8.11 4.37 0.00 2.91 2.93 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 0.00 124 G 8.24 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 0.00 125 V 7.67 4.37 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 0.76 0.00 0.00 1.01 0.00 0.00 126 S 8.77 4.94 0.00 3.89 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 0.00 127 C 9.37 5.53 0.00 2.63 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 0.00 128 T 8.81 4.90 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 1.28 0.00 0.00 129 P 0.00 4.32 0.00 1.79 1.58 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 130 T 8.48 4.55 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 1.25 0.00 0.00 131 V 7.21 4.49 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 0.68 0.00 0.00 0.83 0.00 0.00 132 E 8.73 3.82 0.00 1.75 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 1.47 1.79 0.00 133 Y 7.31 4.68 0.00 2.98 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 0.00 134 P 0.00 4.38 0.00 1.70 1.64 0.00 3.67 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.71 0.00 135 C 8.46 4.41 0.00 3.13 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 0.00 136 G 8.90 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 0.00 137 K 7.50 4.58 0.00 1.62 1.75 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.60 7.81 138 I 7.99 4.29 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.70 0.93 0.00 0.00 139 P 0.00 4.27 0.00 2.28 2.35 0.00 3.66 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 140 I 7.80 3.97 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.54 0.93 0.00 0.00 141 L 7.93 4.48 0.00 1.78 1.75 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 142 E 7.80 4.20 0.00 2.10 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 2.53 2.40 0.00 * Residues marked with a * may have inaccurate shift predictions.