NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2338 8.1733 122.0607 56.1953 34.0739 174.0556 4 K 4.8372 8.4781 126.8752 54.3341 34.2141 170.3582 5 V 4.8779 9.0124 125.7976 61.0647 35.7911 173.4097 6 A 4.9163 8.7820 129.8624 50.4001 20.9252 175.6519 7 I 4.8501 8.4075 116.3740 59.4211 40.0370 173.8788 8 Y 5.3978 8.8379 128.0784 56.0266 40.3983 174.7631 9 T 4.7818 8.4409 116.6425 59.9669 72.3745 172.8524 10 R 5.1121 8.4908 122.6909 55.1571 33.7196 174.5035 11 V 4.6133 8.6297 117.4577 59.6371 35.7835 177.2083 12 S 4.5129 9.2584 119.3361 60.3564 63.0379 174.1227 13 T 4.9753 8.0682 108.5965 60.0380 71.2233 173.6134 14 T 4.3692 8.2784 109.1242 61.6248 69.3189 175.3212 15 N 4.6961 7.5225 121.3069 51.8469 37.3160 175.4229 16 Q 3.9478 8.3856 122.1832 58.6228 29.3176 179.0600 17 A 3.9537 8.0478 119.4734 54.5688 18.4117 177.6802 18 E 4.5022 7.8867 112.7894 56.3759 30.5903 176.4531 19 E 4.2041 7.7161 119.3301 55.7695 30.2524 177.1335 20 G 3.8322 8.9606 112.2140 48.1182 0.0000 173.5807 21 F 4.7095 7.9110 123.5266 54.8472 41.2058 174.7425 22 S 4.4084 9.1954 124.3472 57.7624 64.7900 175.0080 23 I 3.6218 8.4307 123.0753 64.9363 36.8152 178.5769 24 D 4.2767 7.9076 118.8598 57.3323 40.6573 178.6072 25 E 3.6102 7.6750 118.6755 59.0275 29.2298 179.3604 26 Q 3.9741 7.7159 118.0669 59.0241 28.8461 178.9159 27 I 3.7120 7.9510 121.0882 64.2895 37.0695 177.8669 28 D 4.2865 8.0916 118.7991 57.5060 40.9847 178.4984 29 R 4.0208 8.0061 118.2937 59.4382 30.0658 179.1248 30 L 4.1535 8.1226 118.6125 58.0846 41.6070 179.8018 31 T 3.9225 8.5115 116.0060 66.6927 68.4753 176.8257 32 K 3.9311 8.4185 120.7741 59.5896 31.9589 178.7718 33 Y 3.9231 8.4000 119.5872 60.7462 38.8577 177.7980 34 A 3.7602 8.4025 121.9667 55.3243 18.5931 179.4472 35 E 4.0648 8.3697 116.7138 59.0720 29.3071 179.2890 36 A 3.8529 7.5535 120.3728 55.2469 18.5438 179.1233 37 M 3.5747 7.1634 115.1095 55.9324 31.7080 177.6191 38 G 3.7275 7.2200 107.0137 45.1034 0.0000 173.3270 39 W 5.0249 7.8040 120.1357 55.3524 31.5064 175.1629 40 Q 4.6349 8.9638 121.1339 54.4275 31.7266 174.4803 41 V 4.3197 8.5566 126.6887 62.6078 31.2963 175.6486 42 S 4.3992 9.0414 124.8556 61.4675 64.0273 173.3204 43 D 4.4082 7.4923 117.6676 53.9695 44.7233 174.0954 44 T 4.9651 8.2301 116.6986 61.8366 71.1445 173.3977 45 Y 4.6620 9.2619 124.9045 56.5975 40.2894 174.9707 46 T 4.8137 8.5749 120.3427 61.9521 72.0892 173.4583 47 D 4.8026 8.9426 127.2391 52.6187 42.3307 174.8821 48 A 4.5029 8.7661 125.7420 52.8377 19.7914 177.2203 49 G 4.1994 10.0137 114.1547 47.4233 0.0000 172.7540 50 F 4.8049 7.9980 115.8722 55.0683 43.2135 174.9830 51 S 4.3086 8.8465 119.0920 58.6051 63.0468 173.8696 52 G 4.0599 8.6362 112.7576 45.5399 0.0000 175.4648 53 A 4.3769 7.7884 123.7087 53.8226 18.7003 178.1075 54 K 4.7456 7.5977 112.8211 54.8233 36.1176 176.1972 55 L 4.3261 8.3096 118.8664 56.0105 42.1663 178.4656 56 E 4.3817 7.8111 118.8570 55.6265 27.4457 175.8383 57 R 4.4732 7.5863 119.8181 52.3780 35.6447 173.0393 58 P 4.1660 0.0000 0.0000 65.9168 31.4321 178.9384 59 A 4.1628 8.2844 119.3187 55.3166 18.2475 179.3320 60 M 3.7522 8.1423 116.7060 58.9031 32.3173 178.3983 61 Q 3.9697 8.3464 118.5197 58.9208 28.7842 178.9051 62 R 3.9580 8.3728 119.9370 59.3807 29.9672 178.2024 63 L 3.4198 7.9460 119.0554 58.1456 42.1292 178.6813 64 I 3.8867 7.8797 119.7090 64.5492 36.5456 178.2467 65 N 4.4009 8.3715 117.3363 56.3162 37.9793 176.6875 66 D 4.4082 8.6157 118.9778 55.6177 40.9234 178.2401 67 I 3.6096 7.4690 120.6784 63.4540 37.9009 175.7606 68 E 4.8632 7.5039 118.0174 57.1907 28.2678 176.6782 69 N 4.8414 7.4884 114.2039 51.6818 40.7581 175.4641 70 K 3.7992 7.4326 115.4748 57.0030 30.3540 176.6244 71 A 4.1140 7.0607 123.0421 54.5936 18.4807 178.3394 72 F 5.0481 6.7652 108.2430 55.6338 41.2271 173.5028 73 D 4.9776 9.0678 117.3251 53.1472 41.1355 175.1778 74 T 5.0719 7.8412 115.3577 62.2271 73.3521 172.5113 75 V 4.5574 8.7330 125.7667 60.9404 33.9859 173.8804 76 L 5.0920 9.0504 130.1886 53.3717 44.5512 175.4368 77 V 4.8620 8.5567 118.8347 59.7281 35.5007 176.1420 78 Y 4.1221 8.8043 124.0262 60.2022 40.0547 175.5768 79 K 4.7004 7.8968 118.5466 53.2816 35.8025 175.9474 80 L 4.1555 9.3571 127.9126 58.6015 41.7457 179.1294 81 D 5.1073 7.9840 118.0619 55.3663 39.3999 178.2192 82 R 4.2256 8.0295 119.8811 59.0719 30.1756 178.2206 83 L 4.3270 8.0057 119.2968 56.9856 42.8568 176.8325 84 S 4.7482 7.2467 109.8623 57.9541 64.9256 174.8654 85 R 4.7435 9.0124 124.4422 55.8583 30.4821 176.2286 86 S 4.7131 8.2722 113.6146 56.0026 65.0491 174.6135 87 V 3.6079 8.3709 128.3730 66.1911 31.4850 178.1557 88 R 3.9085 7.9369 117.2455 59.5512 29.9229 178.6810 89 D 4.4274 8.2779 118.5857 57.5542 40.6503 179.0964 90 T 3.7975 7.9606 116.3945 66.4739 68.4178 176.8520 91 L 3.8933 8.2080 121.3303 57.7703 41.6322 178.9061 92 Y 3.9868 8.0195 119.3251 60.6932 38.7136 177.9921 93 L 3.0784 7.9263 120.0297 57.6550 41.6355 179.8697 94 V 3.3415 7.5481 118.1645 65.5476 31.3289 178.2942 95 K 3.8962 7.9963 118.2233 59.2820 32.0483 178.5734 96 D 4.5232 7.6045 115.6717 54.6647 40.9303 177.4311 97 V 3.9461 6.8025 116.8817 64.8603 33.0615 176.7829 98 F 4.6168 7.8624 118.1493 60.3586 38.8064 177.7185 99 T 3.8959 8.6611 115.3247 66.8499 68.3110 176.5477 100 K 3.8287 7.5955 120.5491 59.0351 32.2743 176.8679 101 N 4.7987 7.5128 113.7225 52.3985 38.5209 174.6916 102 K 3.8642 7.9434 115.7611 57.7461 30.0867 175.2527 103 I 4.6499 7.8183 119.2190 59.6905 38.8944 176.1382 104 D 4.8078 8.8682 127.1327 54.0166 42.7656 175.1045 105 F 5.3161 9.1534 122.0189 56.6110 42.9345 173.4809 106 I 4.7140 8.2249 126.3368 59.2981 40.7770 174.2432 107 S 4.6505 8.1474 121.8595 56.3369 63.8551 174.3504 108 L 3.5618 8.6037 130.4681 58.0837 42.0336 178.7662 109 N 4.0025 7.5910 115.5848 56.0012 38.7923 175.1783 110 E 4.0959 7.8645 115.0161 55.5996 30.7753 175.6700 111 S 3.4755 7.1629 113.1956 59.3120 62.3373 172.2953 112 I 4.2039 7.4591 120.4357 60.0067 39.3942 175.1529 113 D 5.0874 8.3688 124.2733 52.5590 43.2251 175.8107 114 T 4.2579 8.7324 117.5668 63.4457 69.1076 175.5965 115 S 4.3611 8.5980 116.8228 59.5031 63.7450 174.8983 116 S 4.7060 7.9160 117.2136 56.9954 65.8331 174.7753 117 A 3.9918 8.4212 124.4998 55.7836 18.1833 179.8567 118 M 4.3187 8.0851 116.2229 57.5687 32.2558 179.1118 119 G 3.6828 8.1570 106.7752 47.7216 0.0000 176.0907 120 S 4.2559 8.4265 117.1773 61.0873 63.0844 176.2731 121 L 3.9661 8.0373 124.1077 57.6941 41.7118 178.5160 122 F 4.1878 8.5003 120.7134 61.4483 39.2486 177.1683 123 L 3.5032 7.8621 117.8802 58.0065 41.4493 179.5383 124 T 3.8158 7.8361 115.6019 66.7492 68.3121 176.7803 125 I 3.6655 7.7899 121.6535 64.0911 37.0574 178.1558 126 L 3.7557 7.7055 121.5262 58.1166 41.8205 179.0056 127 S 3.9817 8.0173 112.7762 61.2962 62.4025 176.0408 128 A 3.9859 7.9441 123.4569 55.2619 18.0695 179.7644 129 I 3.7260 8.1315 118.8530 64.3638 37.1662 178.1004 130 N 4.4325 8.4411 118.2999 56.8008 38.8047 176.5043 131 E 3.9562 8.2479 120.6956 59.1163 29.6952 178.6631 132 F 4.0421 8.1706 120.6158 61.2278 39.5408 176.8648 133 E 3.9715 8.6701 118.6113 59.7569 29.3236 179.7046 134 R 3.9151 7.9906 117.8675 59.2057 29.8475 178.8138 135 E 3.8700 7.8466 118.3539 58.8992 29.6573 178.2870 136 L 3.8947 7.4188 119.6986 58.0123 42.2816 178.3425 137 E 4.3023 8.1867 118.6105 58.1803 29.7252 176.8718 *138 Y 4.2250 7.6170 122.1291 56.7382 37.9853 180.5203 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 K 8.17 4.23 0.00 1.73 1.22 0.00 1.32 0.00 0.00 1.36 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.14 1.27 7.81 4 K 8.48 4.84 0.00 1.87 1.80 0.00 1.69 0.00 0.00 2.06 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.52 1.53 7.81 5 V 9.01 4.88 2.16 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 1.07 0.00 0.00 0.66 0.00 0.00 6 A 8.78 4.92 0.17 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 7 I 8.41 4.85 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.17 0.99 0.00 0.00 8 Y 8.84 5.40 0.00 3.03 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 9 T 8.44 4.78 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 1.20 0.00 0.00 10 R 8.49 5.11 0.00 1.68 1.94 0.00 3.56 0.00 0.00 3.49 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 11 V 8.63 4.61 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 0.72 0.00 0.00 1.01 0.00 0.00 12 S 9.26 4.51 0.00 3.92 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 13 T 8.07 4.98 4.23 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 0.00 0.00 0.00 1.21 0.00 0.00 14 T 8.28 4.37 4.23 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 0.00 0.00 0.00 1.18 0.00 0.00 15 N 7.52 4.70 0.00 2.83 2.80 0.00 0.00 6.99 7.41 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 16 Q 8.39 3.95 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.87 0.00 0.00 0.00 0.00 0.00 2.43 2.28 0.00 17 A 8.05 3.95 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 18 E 7.89 4.50 0.00 1.97 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 0.00 2.26 2.25 0.00 19 E 7.72 4.20 0.00 1.93 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 2.50 2.41 0.00 20 G 8.96 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 0.00 0.00 0.00 21 F 7.91 4.71 0.00 2.81 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 22 S 9.20 4.41 0.00 4.08 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 23 I 8.43 3.62 1.82 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 1.50 0.94 0.86 0.00 0.00 24 D 7.91 4.28 0.00 2.56 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 25 E 7.68 3.61 0.00 1.16 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 1.88 1.94 0.00 26 Q 7.72 3.97 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.50 2.62 0.00 27 I 7.95 3.71 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.61 0.90 0.00 0.00 28 D 8.09 4.29 0.00 2.79 2.78 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 29 R 8.01 4.02 0.00 2.14 2.19 0.00 3.46 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.11 0.00 30 L 8.12 4.15 0.00 1.84 1.84 1.09 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.51 3.92 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 1.26 0.00 0.00 32 K 8.42 3.93 0.00 1.99 1.91 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.47 7.81 33 Y 8.40 3.92 0.00 3.13 3.22 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 34 A 8.40 3.76 1.57 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 0.00 0.00 35 E 8.37 4.06 0.00 2.12 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 2.32 2.33 0.00 36 A 7.55 3.85 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 37 M 7.16 3.57 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.09 0.00 38 G 7.22 3.73 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 0.00 0.00 0.00 39 W 7.80 5.02 0.00 3.34 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 40 Q 8.96 4.63 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.99 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 41 V 8.56 4.32 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 0.90 0.00 0.00 1.01 0.00 0.00 42 S 9.04 4.40 0.00 4.03 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 43 D 7.49 4.41 0.00 2.71 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 0.00 0.00 0.00 0.00 44 T 8.23 4.97 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 1.18 0.00 0.00 45 Y 9.26 4.66 0.00 3.12 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 46 T 8.57 4.81 4.23 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 0.00 0.00 0.00 1.19 0.00 0.00 47 D 8.94 4.80 0.00 2.63 2.69 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 48 A 8.77 4.50 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 49 G 10.01 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 0.00 0.00 0.00 0.00 50 F 8.00 4.80 0.00 3.15 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 51 S 8.85 4.31 0.00 3.89 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 52 G 8.64 4.06 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 0.00 0.00 0.00 53 A 7.79 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 54 K 7.60 4.75 0.00 1.73 1.68 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.45 7.81 55 L 8.31 4.33 0.00 1.58 1.70 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.81 4.38 0.00 1.97 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 2.32 2.40 0.00 57 R 7.59 4.47 0.00 1.76 1.51 0.00 3.40 0.00 0.00 3.50 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 58 P 0.00 4.17 0.00 2.04 2.08 0.00 2.64 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.10 0.00 59 A 8.28 4.16 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 60 M 8.14 3.75 0.00 2.13 1.85 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 61 Q 8.35 3.97 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 62 R 8.37 3.96 0.00 2.16 2.40 0.00 3.19 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.77 0.00 63 L 7.95 3.42 0.00 0.57 1.64 0.49 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 64 I 7.88 3.89 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.88 0.91 0.00 0.00 65 N 8.37 4.40 0.00 3.02 2.90 0.00 0.00 7.07 7.67 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 66 D 8.62 4.41 0.00 2.97 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 67 I 7.47 3.61 2.11 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.24 0.93 0.00 0.00 68 E 7.50 4.86 0.00 1.84 1.92 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 2.29 2.25 0.00 69 N 7.49 4.84 0.00 2.83 2.74 0.00 0.00 7.14 7.56 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 70 K 7.43 3.80 0.00 1.93 1.79 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.29 1.28 7.81 71 A 7.06 4.11 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 72 F 6.77 5.05 0.00 3.17 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 73 D 9.07 4.98 0.00 2.72 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 74 T 7.84 5.07 3.98 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 1.05 0.00 0.00 75 V 8.73 4.56 1.46 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 0.93 0.00 0.00 0.44 0.00 0.00 76 L 9.05 5.09 0.00 1.89 1.53 1.19 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.56 4.86 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 1.07 0.00 0.00 1.09 0.00 0.00 78 Y 8.80 4.12 0.00 3.17 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 79 K 7.90 4.70 0.00 1.66 1.76 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.15 7.81 80 L 9.36 4.16 0.00 2.02 1.74 1.23 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 81 D 7.98 5.11 0.00 2.92 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 82 R 8.03 4.23 0.00 2.09 2.19 0.00 3.51 0.00 0.00 3.46 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.08 0.00 83 L 8.01 4.33 0.00 1.93 2.00 1.03 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 84 S 7.25 4.75 0.00 3.84 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 85 R 9.01 4.74 0.00 1.81 1.93 0.00 3.20 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 86 S 8.27 4.71 0.00 3.82 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 87 V 8.37 3.61 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 1.15 0.00 0.00 0.96 0.00 0.00 88 R 7.94 3.91 0.00 1.87 1.94 0.00 3.17 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 89 D 8.28 4.43 0.00 2.82 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.96 3.80 4.38 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 1.19 0.00 0.00 91 L 8.21 3.89 0.00 1.80 1.68 0.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 8.02 3.99 0.00 2.98 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 93 L 7.93 3.08 0.00 1.33 0.73 0.74 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 94 V 7.55 3.34 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 1.18 0.00 0.00 0.37 0.00 0.00 95 K 8.00 3.90 0.00 2.03 1.75 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.41 7.81 96 D 7.60 4.52 0.00 2.39 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 97 V 6.80 3.95 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 0.95 0.00 0.00 0.12 0.00 0.00 98 F 7.86 4.62 0.00 3.19 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 T 8.66 3.90 4.45 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 1.23 0.00 0.00 100 K 7.60 3.83 0.00 1.75 1.84 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.39 7.81 101 N 7.51 4.80 0.00 2.73 2.77 0.00 0.00 7.04 7.49 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 0.00 102 K 7.94 3.86 0.00 1.89 1.88 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.52 7.81 103 I 7.82 4.65 2.08 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 1.20 0.75 0.86 0.00 0.00 104 D 8.87 4.81 0.00 2.55 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 0.00 105 F 9.15 5.32 0.00 3.18 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 0.00 106 I 8.22 4.71 1.77 0.00 0.00 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 1.12 0.61 0.75 0.00 0.00 107 S 8.15 4.65 0.00 3.74 3.57 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 0.00 108 L 8.60 3.56 0.00 1.60 1.47 -0.10 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 109 N 7.59 4.00 0.00 2.09 2.47 0.00 0.00 7.29 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 0.00 110 E 7.86 4.10 0.00 1.81 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 2.17 2.23 0.00 111 S 7.16 3.48 0.00 3.99 3.80 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 0.00 112 I 7.46 4.20 1.71 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.49 0.94 0.00 0.00 113 D 8.37 5.09 0.00 2.62 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.73 4.26 4.38 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 1.55 0.00 0.00 115 S 8.60 4.36 0.00 4.02 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 0.00 116 S 7.92 4.71 0.00 4.11 4.06 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 0.00 117 A 8.42 3.99 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 0.00 118 M 8.09 4.32 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.57 0.00 119 G 8.16 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.43 4.26 0.00 4.10 4.37 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 0.00 0.00 0.00 0.00 121 L 8.04 3.97 0.00 1.92 1.82 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 122 F 8.50 4.19 0.00 3.19 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 0.00 123 L 7.86 3.50 0.00 1.97 1.66 1.24 1.14 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 0.00 124 T 7.84 3.82 4.37 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 0.00 0.00 0.00 1.19 0.00 0.00 125 I 7.79 3.67 1.93 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 1.38 0.75 0.87 0.00 0.00 126 L 7.71 3.76 0.00 1.07 1.28 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 127 S 8.02 3.98 0.00 3.85 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 0.00 128 A 7.94 3.99 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 0.00 129 I 8.13 3.73 1.91 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.92 0.93 0.00 0.00 130 N 8.44 4.43 0.00 2.90 2.81 0.00 0.00 6.86 8.34 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 0.00 131 E 8.25 3.96 0.00 2.20 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 0.00 2.33 2.32 0.00 132 F 8.17 4.04 0.00 3.23 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 0.00 133 E 8.67 3.97 0.00 2.23 2.02 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 2.45 2.69 0.00 134 R 7.99 3.92 0.00 1.92 1.95 0.00 3.11 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 135 E 7.85 3.87 0.00 1.96 1.92 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 2.15 2.21 0.00 136 L 7.42 3.89 0.00 1.37 1.70 0.82 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.19 4.30 0.00 1.96 1.96 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 2.30 2.43 0.00 *138 Y 7.62 4.23 0.00 2.30 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.