NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3304 8.2649 123.5813 51.0364 19.9502 176.6722 3 P 4.1582 0.0000 0.0000 62.2247 31.9309 174.3944 4 R 4.5050 9.2874 122.7863 55.0578 32.0491 175.3938 5 I 4.5490 8.6814 124.9701 59.6160 40.2106 174.8100 6 K 4.8456 8.5102 124.6756 55.0987 34.0831 175.2262 7 L 5.1308 9.0433 125.6526 52.6735 44.8329 175.2567 8 K 5.0291 8.9640 125.4363 54.4826 34.1612 175.2606 9 I 3.6451 8.5826 128.5197 60.8715 38.6094 174.9006 10 L 4.7805 8.0675 127.8276 52.8716 44.0015 176.1894 11 N 4.4503 8.6141 119.9013 54.0958 39.8597 175.4177 12 G 4.1903 8.8930 107.6953 45.4916 0.0000 172.4112 13 S 4.9135 8.2185 113.9740 56.8466 64.2953 172.7028 14 Y 5.0793 9.5705 124.7277 56.5372 41.0195 174.7732 15 G 4.5635 8.9447 106.9758 44.9551 0.0000 171.8804 16 I 4.6855 8.6331 121.9887 59.3689 39.0578 174.8799 17 A 5.0460 9.2869 130.0695 50.7709 21.0042 175.6694 18 R 4.9581 8.8874 121.1705 54.6554 32.3453 174.9155 19 L 4.9372 8.9386 125.8389 52.2847 46.0740 175.8774 20 S 4.2989 8.5312 114.4987 58.1666 62.7482 174.8176 21 A 3.9302 8.7406 129.9229 54.9666 18.0948 178.3248 22 S 4.6153 7.7848 108.4472 58.1590 63.8206 174.1293 23 E 4.0192 7.8773 121.8855 55.6538 29.9377 176.4001 24 A 4.1781 8.1895 127.1827 51.5583 19.2073 177.4838 25 I 3.6400 7.9982 121.3885 60.4114 37.8451 175.0145 26 P 4.1755 0.0000 0.0000 62.1333 31.7194 177.3299 27 A 3.9686 8.2765 122.7282 54.5380 18.4459 178.7044 28 W 4.5004 7.5541 110.6417 57.4787 28.9848 177.5884 29 A 3.8706 7.0453 122.4114 55.1330 17.9336 177.1271 30 D 4.5970 7.7199 114.2069 53.7226 42.6132 176.1345 31 G 3.9804 7.9314 114.4890 45.9786 0.0000 172.9639 32 G 3.7805 8.7838 111.8516 46.0446 0.0000 174.5320 33 G 3.9332 8.5164 107.1454 44.3328 0.0000 172.1881 34 F 4.4522 9.1652 121.5317 57.7269 40.0105 175.4834 35 V 4.5138 7.3505 126.6585 61.1204 34.4928 174.3513 36 S 4.2755 8.9172 121.8307 56.7437 65.3848 172.5677 37 I 4.8414 8.3786 128.7935 60.0278 38.8024 175.3664 38 T 4.5821 9.0580 124.8469 61.5655 71.5043 173.1024 39 R 5.1093 8.7048 126.9978 54.8305 32.0365 174.9063 40 T 4.7656 8.7677 116.2537 59.6027 71.7453 173.8057 41 D 4.4405 8.6191 119.1322 55.1954 39.5382 176.0524 42 D 5.0647 7.9249 117.6694 53.9266 43.2393 174.9430 43 E 4.6881 7.8409 115.4885 55.2406 33.9244 174.0799 44 L 5.0157 8.5676 121.3684 53.5380 44.6007 174.5788 45 S 5.2728 9.2512 122.4245 56.7955 64.7908 172.8656 46 I 5.0560 8.7651 126.8396 59.6740 40.8823 174.1909 47 V 4.9631 8.9313 128.0916 60.8019 33.5952 174.4456 48 C 5.6799 8.4013 120.5892 58.3046 33.1164 172.9226 49 L 3.7928 8.3374 118.8782 54.8304 41.7067 178.5720 50 I 3.6627 8.4663 124.8665 64.6268 37.3447 177.9644 51 D 4.3011 8.0607 118.7300 57.2021 40.6346 177.6199 52 R 4.1762 7.8105 115.5832 56.6788 30.6243 176.3917 53 I 2.7989 7.2314 120.1852 59.1537 37.0569 174.3066 54 P 4.2229 0.0000 0.0000 62.3337 31.7323 177.3134 55 Q 4.1336 8.3482 118.2197 57.5872 28.9129 176.6587 56 D 4.7484 7.8653 116.4904 52.6654 39.8331 175.9070 57 V 4.4355 6.9599 118.2091 60.8960 33.8361 175.4513 58 R 4.3099 8.4390 125.9341 56.6041 31.0254 175.8673 59 V 4.8601 8.2204 121.2405 60.7034 34.6622 173.6682 60 D 4.9730 9.3421 124.1150 52.3752 41.8769 173.8068 61 P 5.0782 0.0000 0.0000 61.3206 33.9523 175.0276 62 G 3.6511 8.6773 103.8996 46.6225 0.0000 172.6546 63 W 5.2870 8.7301 117.7386 54.7568 33.3186 176.4619 64 S 5.2130 9.4502 118.0669 56.9665 66.0082 172.6763 65 C 5.0717 8.4733 122.5436 57.6030 34.4868 172.3848 66 F 5.2547 9.3877 123.3929 55.5448 42.7155 173.6538 67 K 4.6420 9.1277 124.0183 54.6064 34.3819 175.1477 68 F 4.6835 9.2873 127.0055 57.6621 39.3186 175.5121 69 Q 4.3414 9.3403 123.8699 54.9532 30.5913 176.6915 70 G 3.6598 8.5639 110.3477 44.4750 0.0000 171.3586 71 P 4.1902 0.0000 0.0000 62.8509 31.9130 177.0565 72 F 4.8192 8.2359 118.6868 55.8516 38.5347 174.5414 73 A 4.3115 8.0377 125.4435 51.6601 18.1022 177.3232 *74 F 4.9513 8.4673 121.1198 56.4790 42.3538 173.6373 75 D 4.8003 7.9779 117.3498 54.1683 40.0392 173.3259 76 E 3.8358 8.3268 123.2212 58.0005 27.4501 176.2586 77 T 4.6976 7.7480 110.7920 59.2544 71.8281 177.8762 78 G 3.9192 8.2933 111.2264 43.4467 0.0000 174.6906 79 I 3.7389 7.9238 128.3282 64.3359 37.3961 178.0946 80 V 3.8301 7.6261 118.4633 65.8596 31.4015 177.3674 81 L 3.9444 7.9822 119.8989 58.4126 41.6733 178.9876 82 S 4.1337 8.2710 112.9784 61.0878 63.3209 176.2318 83 V 3.7536 7.3568 120.4547 65.3341 31.6450 177.9462 84 I 3.7143 8.0735 112.6624 63.2271 37.5565 177.9413 85 S 4.0541 8.2675 115.9646 61.0047 62.0422 174.4828 86 P 4.3404 0.0000 0.0000 65.2789 31.2752 178.0970 87 L 4.1657 7.2064 117.4155 57.7738 41.5901 179.3014 88 S 4.1784 8.5483 115.5659 61.7463 62.9096 176.6316 89 T 4.0494 7.8965 108.6948 63.2549 68.7564 174.5646 90 N 4.8812 7.2553 120.4666 53.1232 39.2352 175.1854 91 G 3.8562 8.4920 103.6570 46.1235 0.0000 173.8400 92 I 4.3084 7.7178 120.7992 58.8794 38.1505 176.1608 93 G 3.8958 8.6386 115.3632 45.4109 0.0000 172.2455 94 I 5.0756 8.2586 115.3600 58.8850 41.1500 174.7477 95 F 4.5869 9.1645 125.1797 56.7686 42.1998 173.2555 96 V 4.8161 8.1689 126.1296 61.0890 33.8499 175.1166 97 V 4.3275 8.6944 127.0319 61.1369 33.6603 174.7413 98 S 4.9489 8.5797 124.0644 58.4920 63.8221 173.6123 99 T 4.7578 8.7183 112.2217 59.5918 72.1283 173.8229 100 F 4.1742 9.1898 123.1993 61.6632 39.2370 176.1006 101 D 4.8006 8.6890 118.4053 57.0320 42.4202 176.8007 102 G 4.1291 7.7281 110.3761 45.6783 0.0000 175.4814 103 D 5.0212 8.1571 122.5829 53.0685 45.3122 172.4161 104 H 5.3906 9.0933 117.0378 54.0182 33.2057 172.4384 105 L 5.3163 9.2710 122.7887 53.4151 45.6379 175.1079 106 L 5.5604 9.4791 125.4834 53.2785 45.3059 175.9023 107 V 5.2086 8.9244 114.4429 59.3772 36.6293 175.4452 108 R 3.5529 7.9617 121.0417 55.9871 30.6997 178.4283 109 S 4.2153 8.9598 120.2117 60.9666 62.5775 176.5834 110 N 4.5487 7.9641 117.5611 54.6002 37.4839 175.6575 111 D 4.7305 7.9203 121.1217 53.9965 41.2788 177.5713 112 L 4.0450 7.6535 123.3224 58.4450 42.1652 178.8992 113 E 4.0024 8.1037 117.8293 59.4431 29.4368 179.3982 114 K 4.0214 7.9741 118.0492 59.5858 32.0880 179.4034 115 T 3.7864 8.3302 116.2773 66.5861 68.4047 176.5033 116 A 3.9215 8.1022 122.5930 55.1986 18.3993 179.4524 117 D 4.2894 8.0306 117.2164 57.5452 41.0106 179.0548 118 L 3.9992 8.1047 119.6237 57.7940 41.6183 179.6429 119 L 4.0157 8.1982 118.9913 57.5251 41.4262 179.4132 120 A 4.2281 7.9372 122.1267 54.8436 18.1513 179.4702 121 N 4.2366 8.0099 113.4989 56.1226 38.6687 176.6781 122 A 4.2375 7.5023 119.2430 52.5303 18.7570 178.1142 123 G 3.8368 8.1397 106.4904 44.9907 0.0000 173.7323 124 H 4.7007 7.9340 117.0977 55.3827 30.6318 174.0719 125 S 4.8614 8.8615 115.6671 56.7835 64.4944 172.7875 126 L 5.2293 8.4191 125.5546 53.0012 44.7465 175.8778 127 L 4.4528 9.3113 124.8015 53.1266 42.8162 176.6884 128 L 4.8624 8.3863 124.2981 54.4300 42.1994 176.3125 129 E 4.5223 7.9654 118.4626 55.5049 30.6956 175.3911 130 H 4.6163 7.9707 115.6567 55.3976 30.7912 174.2232 131 H 4.5582 8.4945 119.8612 55.2999 27.2464 174.7845 132 H 4.9742 8.1775 121.8444 58.5300 30.5003 175.1971 133 H 3.8958 8.2818 116.9806 56.7380 29.8383 174.5049 134 H 4.3944 8.1641 121.4026 55.4901 29.7701 175.0031 135 H 4.5315 8.4888 115.5981 56.2303 29.1257 173.9872 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 2 A 8.26 4.33 1.25 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 0.00 0.00 3 P 0.00 4.16 0.00 2.19 2.05 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.19 0.00 4 R 9.29 4.50 0.00 1.70 1.88 0.00 3.18 0.00 0.00 3.21 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 5 I 8.68 4.55 1.59 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.01 0.75 0.00 0.00 6 K 8.51 4.85 0.00 1.71 1.73 0.00 1.59 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.46 7.81 7 L 9.04 5.13 0.00 1.42 1.50 0.63 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.96 5.03 0.00 2.09 1.71 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.38 7.81 9 I 8.58 3.65 1.61 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 -0.33 0.83 0.00 0.00 10 L 8.07 4.78 0.00 1.56 1.65 0.97 0.90 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 11 N 8.61 4.45 0.00 2.92 2.76 0.00 0.00 7.21 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 12 G 8.89 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 0.00 0.00 0.00 0.00 13 S 8.22 4.91 0.00 3.92 3.69 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 14 Y 9.57 5.08 0.00 3.20 2.91 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 15 G 8.94 4.56 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 0.00 0.00 0.00 16 I 8.63 4.69 1.70 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 -0.02 0.79 0.00 0.00 17 A 9.29 5.05 1.47 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 0.00 0.00 18 R 8.89 4.96 0.00 1.83 1.85 0.00 3.25 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 19 L 8.94 4.94 0.00 1.79 1.70 1.13 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.53 4.30 0.00 3.86 3.74 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 21 A 8.74 3.93 1.31 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 0.00 0.00 22 S 7.78 4.62 0.00 3.85 3.89 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 23 E 7.88 4.02 0.00 1.95 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 2.30 2.26 0.00 24 A 8.19 4.18 1.20 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 25 I 8.00 3.64 1.75 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 1.36 0.49 0.70 0.00 0.00 26 P 0.00 4.18 0.00 0.73 1.80 0.00 3.28 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.78 0.00 27 A 8.28 3.97 1.31 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 0.00 0.00 28 W 7.55 4.50 0.00 3.61 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 29 A 7.05 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 7.72 4.60 0.00 2.57 2.53 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 31 G 7.93 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 0.00 0.00 0.00 0.00 32 G 8.78 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 0.00 0.00 0.00 33 G 8.52 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 0.00 0.00 0.00 34 F 9.17 4.45 0.00 2.99 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 35 V 7.35 4.51 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 0.78 0.00 0.00 0.98 0.00 0.00 36 S 8.92 4.28 0.00 3.62 3.69 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 37 I 8.38 4.84 1.79 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.65 0.82 0.00 0.00 38 T 9.06 4.58 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 1.20 0.00 0.00 39 R 8.70 5.11 0.00 1.77 1.77 0.00 3.16 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 40 T 8.77 4.77 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 1.20 0.00 0.00 41 D 8.62 4.44 0.00 2.80 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 42 D 7.92 5.06 0.00 2.56 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 43 E 7.84 4.69 0.00 1.90 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 2.21 2.27 0.00 44 L 8.57 5.02 0.00 1.79 1.61 0.88 1.29 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 45 S 9.25 5.27 0.00 4.11 3.74 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 46 I 8.77 5.06 2.03 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.57 0.97 0.00 0.00 47 V 8.93 4.96 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 1.32 0.00 0.00 0.79 0.00 0.00 48 C 8.40 5.68 0.00 3.12 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 49 L 8.34 3.79 0.00 1.62 1.45 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.47 3.66 1.81 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 1.36 0.72 0.87 0.00 0.00 51 D 8.06 4.30 0.00 2.60 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.81 4.18 0.00 2.02 2.28 0.00 3.27 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 53 I 7.23 2.80 1.73 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 1.08 0.49 0.56 0.00 0.00 54 P 0.00 4.22 0.00 2.06 1.76 0.00 2.21 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.48 0.00 55 Q 8.35 4.13 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.19 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 56 D 7.87 4.75 0.00 2.78 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 57 V 6.96 4.44 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 0.95 0.00 0.00 1.03 0.00 0.00 58 R 8.44 4.31 0.00 2.00 1.88 0.00 3.22 0.00 0.00 3.41 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 59 V 8.22 4.86 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 0.61 0.00 0.00 0.99 0.00 0.00 60 D 9.34 4.97 0.00 2.82 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 61 P 0.00 5.08 0.00 2.17 2.11 0.00 3.95 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 2.00 2.00 0.00 62 G 8.68 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 63 W 8.73 5.29 0.00 3.39 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 64 S 9.45 5.21 0.00 3.79 3.64 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 65 C 8.47 5.07 0.00 2.29 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 0.00 0.00 0.00 0.00 66 F 9.39 5.25 0.00 2.97 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 67 K 9.13 4.64 0.00 1.72 1.68 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.27 7.81 68 F 9.29 4.68 0.00 3.08 3.37 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 69 Q 9.34 4.34 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.99 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 70 G 8.56 3.66 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 0.00 0.00 0.00 71 P 0.00 4.19 0.00 1.97 1.95 0.00 3.50 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 72 F 8.24 4.82 0.00 3.05 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 73 A 8.04 4.31 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 *74 F 8.47 4.95 0.00 2.26 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 0.00 0.00 0.00 75 D 7.98 4.80 0.00 2.63 2.44 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 76 E 8.33 3.84 0.00 2.14 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 2.13 1.85 0.00 77 T 7.75 4.70 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 78 G 8.29 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 79 I 7.92 3.74 1.72 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 1.56 1.09 0.94 0.00 0.00 80 V 7.63 3.83 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 1.08 0.00 0.00 0.64 0.00 0.00 81 L 7.98 3.94 0.00 1.79 1.84 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 82 S 8.27 4.13 0.00 4.11 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 83 V 7.36 3.75 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 0.85 0.00 0.00 0.46 0.00 0.00 84 I 8.07 3.71 1.90 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 1.67 0.75 0.98 0.00 0.00 85 S 8.27 4.05 0.00 4.01 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 86 P 0.00 4.34 0.00 2.25 2.17 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.07 0.00 87 L 7.21 4.17 0.00 1.91 1.75 0.88 0.76 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 88 S 8.55 4.18 0.00 3.90 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 89 T 7.90 4.05 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 1.29 0.00 0.00 90 N 7.26 4.88 0.00 2.86 2.81 0.00 0.00 6.97 7.53 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 91 G 8.49 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 0.00 0.00 0.00 92 I 7.72 4.31 2.00 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 1.22 0.80 0.92 0.00 0.00 93 G 8.64 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 94 I 8.26 5.08 1.99 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 1.28 0.73 0.99 0.00 0.00 95 F 9.16 4.59 0.00 2.93 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 96 V 8.17 4.82 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 0.75 0.00 0.00 0.94 0.00 0.00 97 V 8.69 4.33 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 1.10 0.00 0.00 1.25 0.00 0.00 98 S 8.58 4.95 0.00 3.73 3.67 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 0.00 0.00 0.00 0.00 99 T 8.72 4.76 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 1.34 0.00 0.00 100 F 9.19 4.17 0.00 3.05 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 0.00 101 D 8.69 4.80 0.00 2.90 2.90 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 0.00 0.00 0.00 102 G 7.73 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 0.00 0.00 0.00 103 D 8.16 5.02 0.00 1.58 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 0.00 0.00 0.00 104 H 9.09 5.39 0.00 2.90 2.67 0.00 5.56 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 0.00 105 L 9.27 5.32 0.00 2.04 1.74 1.12 0.43 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 0.00 106 L 9.48 5.56 0.00 1.64 1.75 0.74 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 107 V 8.92 5.21 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 0.85 0.00 0.00 1.12 0.00 0.00 108 R 7.96 3.55 0.00 1.74 1.46 0.00 2.84 0.00 0.00 2.98 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 109 S 8.96 4.22 0.00 3.79 3.91 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 0.00 110 N 7.96 4.55 0.00 2.80 2.88 0.00 0.00 5.95 8.06 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 0.00 111 D 7.92 4.73 0.00 2.80 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 0.00 112 L 7.65 4.05 0.00 2.01 1.70 1.18 1.00 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 0.00 113 E 8.10 4.00 0.00 2.02 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 2.41 2.35 0.00 114 K 7.97 4.02 0.00 1.79 1.84 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.52 7.81 115 T 8.33 3.79 4.43 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 1.01 0.00 0.00 116 A 8.10 3.92 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 0.00 117 D 8.03 4.29 0.00 2.87 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 0.00 118 L 8.10 4.00 0.00 1.78 1.69 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 119 L 8.20 4.02 0.00 1.56 1.62 0.54 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 120 A 7.94 4.23 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 0.00 121 N 8.01 4.24 0.00 2.84 2.88 0.00 0.00 7.07 7.09 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 0.00 122 A 7.50 4.24 1.31 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 0.00 0.00 123 G 8.14 3.84 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 0.00 0.00 0.00 124 H 7.93 4.70 0.00 3.16 3.27 0.00 5.60 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 S 8.86 4.86 0.00 3.88 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.42 5.23 0.00 1.55 1.60 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 127 L 9.31 4.45 0.00 1.59 1.65 1.02 0.46 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 0.00 128 L 8.39 4.86 0.00 1.67 1.72 0.98 1.17 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 0.00 129 E 7.97 4.52 0.00 1.96 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 2.26 2.30 0.00 130 H 7.97 4.62 0.00 3.21 3.19 0.00 5.52 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 H 8.49 4.56 0.00 3.22 3.34 0.00 5.70 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 H 8.18 4.97 0.00 3.04 3.30 0.00 5.78 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 H 8.28 3.90 0.00 3.10 3.21 0.00 5.98 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 H 8.16 4.39 0.00 3.22 3.21 0.00 5.52 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 H 8.49 4.53 0.00 3.14 3.16 0.00 5.73 0.00 0.00 0.00 0.00 6.91 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.