NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 M 4.4786 8.3049 118.7948 53.7239 33.1500 174.5958 12 D 4.2618 8.3244 116.9806 53.9638 41.2030 175.2206 13 S 4.6616 8.2873 116.8060 56.8583 67.1931 174.2441 14 V 3.6872 8.4850 120.2607 65.7364 31.4448 176.7645 15 C 4.8547 7.7106 114.7955 54.2343 42.8087 171.7380 16 P 4.4390 0.0000 0.0000 62.2690 31.5861 175.7451 17 Q 4.1598 8.4066 120.9529 58.0667 29.2775 177.0132 18 G 3.9999 9.2338 112.4312 45.2058 0.0000 172.3119 19 K 5.3119 7.9092 117.7741 54.4986 35.4111 174.8999 20 Y 4.9059 8.6594 119.3095 54.9126 41.7948 174.3425 21 I 4.2065 8.3507 121.1157 60.7221 39.2275 174.9583 22 H 4.1770 9.2770 130.5221 55.8527 30.0042 174.4826 23 P 4.3963 0.0000 0.0000 65.3654 31.3247 176.9722 24 Q 4.3306 8.2401 115.5150 56.0554 29.7662 175.1215 25 N 4.6306 7.8745 117.4092 52.6170 40.8276 174.4863 26 N 4.5833 8.8172 123.6753 55.1962 38.7861 175.9833 27 S 4.5959 8.5094 113.9129 58.3625 63.6527 173.7490 28 I 4.6173 7.6128 121.8308 59.4995 40.2792 173.7565 29 C 5.2494 8.7476 122.9372 55.2937 38.9998 173.9566 30 C 5.0268 8.2950 120.3036 54.9633 43.3366 173.5633 31 T 4.5791 8.2918 118.4275 63.5200 68.7241 174.8014 32 K 4.5027 8.8323 125.6568 56.4718 33.3215 176.0501 33 C 4.6536 9.4450 119.5568 57.0540 36.1475 173.4688 34 H 5.0885 8.2880 118.5564 54.1928 30.4662 175.1666 35 K 4.2463 8.5442 119.5160 58.7635 32.9224 177.4781 36 G 4.5691 10.1010 111.0759 45.1723 0.0000 172.8205 37 T 5.1827 7.5166 107.8636 59.9211 72.1772 172.0640 38 Y 4.8860 8.2647 119.0771 54.7592 42.2969 174.3248 39 L 3.9648 9.1174 122.7755 55.4571 42.1776 176.5236 40 Y 4.2916 8.6597 129.2596 60.0587 39.7274 175.5500 41 N 5.0186 7.8322 114.5646 51.7352 43.2331 174.5613 42 D 4.9719 9.0074 122.1927 53.3442 41.7233 175.2295 43 C 4.6712 8.7376 115.4864 54.6704 42.0127 172.2093 44 P 4.2631 0.0000 0.0000 63.2705 31.7382 175.6875 45 G 3.9546 7.6060 107.5971 44.7201 0.0000 172.3498 46 P 4.1231 0.0000 0.0000 65.4938 31.1514 177.9710 47 G 3.9373 7.9569 102.6729 45.4812 0.0000 173.1178 48 Q 4.5192 7.7502 118.9001 54.5298 30.8702 174.7929 49 D 4.7586 8.3584 119.9583 53.7864 42.9794 175.6871 50 T 4.3222 8.4096 120.8049 63.6835 69.7611 174.2453 51 D 4.6576 9.0244 125.6761 53.6108 41.5980 173.8034 52 C 5.1883 8.5344 122.7972 55.0467 43.6094 173.6004 53 R 4.6704 7.7310 121.7101 53.7254 33.1666 175.0740 54 E 4.5640 8.7067 123.0476 56.4794 30.4204 177.2508 55 C 4.6533 9.1336 123.9360 56.8790 35.3498 173.6301 56 E 4.2111 8.7378 122.9417 55.4985 30.1132 175.9806 57 S 4.1816 8.4919 118.2915 60.3853 62.8305 174.5351 58 G 4.0536 10.0236 114.9587 45.1702 0.0000 172.1145 59 S 5.3089 7.5115 113.9514 57.3077 67.6977 172.4121 60 F 5.0571 8.6006 115.0325 56.8225 41.7513 173.1440 61 T 4.4878 8.2684 108.2878 60.2316 71.2851 174.1553 62 A 5.3267 9.3224 127.8449 51.6165 19.5587 175.6868 63 S 4.8303 7.5365 109.6172 56.5598 66.1831 173.8372 64 E 4.3459 8.7573 118.7136 57.3692 29.8930 175.7488 65 N 4.6734 9.0844 118.8357 52.3939 41.3764 173.6043 66 H 5.0160 7.9301 112.8133 54.4698 27.4539 173.9142 67 L 4.2183 8.7422 119.1495 55.5738 42.6730 178.1229 68 R 4.9232 8.3202 119.8556 55.7050 30.1920 175.8280 69 H 4.4176 7.6032 113.2397 54.8309 32.5535 173.7377 70 C 4.6446 8.0255 119.2992 56.0993 43.0387 172.9403 71 L 4.6961 7.9792 120.9613 53.1407 43.3383 176.6147 72 S 4.7197 8.4973 117.2729 58.3217 63.8530 174.7111 73 C 4.7757 8.7641 120.7880 57.4408 40.5192 174.2016 74 S 4.5015 9.2397 119.4454 58.2967 63.2869 174.0281 75 K 4.5136 8.1414 121.5030 55.1821 33.5619 177.4521 76 C 4.4111 8.3284 119.0517 56.4945 41.7538 174.9938 77 R 4.0901 8.8572 123.0679 55.6539 29.6714 177.9570 78 K 3.9288 8.4553 125.3207 58.9254 31.9784 178.6267 79 E 4.1498 8.0761 116.0068 58.1671 29.9157 177.6262 80 M 4.4047 7.9647 119.3376 54.3826 32.2576 176.8564 81 G 3.8317 7.6510 106.9886 45.9468 0.0000 174.2719 82 Q 4.4407 7.5977 117.4306 55.5895 29.6318 175.7089 83 V 4.5680 8.4253 113.0633 59.3390 36.0323 174.5025 84 E 4.5066 8.7671 124.8853 56.3443 30.0870 176.7346 85 I 4.3742 8.7919 120.6972 61.2491 39.3048 175.9043 86 S 4.5933 7.6592 118.6387 57.0068 65.3261 173.5754 87 S 4.7967 8.6900 122.2132 57.7170 63.7791 174.5416 88 C 4.5914 8.7267 122.3548 57.0286 40.8419 172.5905 89 T 4.7387 8.6901 115.3253 59.2680 71.5765 175.2433 90 V 3.9526 8.4235 114.1237 63.8403 31.7603 177.6106 91 D 5.8148 7.7360 116.5722 52.0643 39.8306 175.2193 92 R 4.8131 7.9130 120.3384 55.2597 33.7372 174.0962 93 D 3.8875 8.0598 125.5846 53.3704 42.3857 175.5032 94 T 3.9054 8.0916 117.7916 64.5639 69.1439 173.4937 95 V 4.2369 8.8590 126.4597 61.7421 33.0501 174.0142 96 C 5.3040 8.8331 125.2388 56.1841 43.0579 174.0637 97 G 3.9878 8.8559 107.6071 46.2998 0.0000 171.1188 98 C 5.5641 8.6879 117.8277 54.7774 43.6913 174.3056 99 R 4.1908 8.5449 119.6159 55.3700 30.4156 176.5302 100 K 3.9401 8.2507 120.2060 58.1531 32.6738 175.9544 101 N 4.4536 9.0071 119.7014 54.0259 35.8543 173.3856 102 Q 5.1931 7.7906 114.8146 54.2280 32.4513 174.3361 103 Y 5.0709 8.7463 120.3870 55.2265 41.2806 174.6081 104 R 4.5882 9.0879 120.6864 55.7921 32.0653 174.8637 105 H 5.0969 9.2121 124.4093 54.5936 31.8853 172.9713 106 Y 4.7130 8.4698 124.5092 56.9998 38.2067 175.8781 107 W 4.5635 9.2868 126.5507 58.9884 29.6107 175.9155 108 S 4.6944 7.7592 110.2280 57.3005 64.9042 173.1973 109 E 4.0769 9.0339 120.2177 58.9941 29.2918 177.2910 110 N 5.0656 8.2801 112.1346 52.6084 39.9297 173.4376 111 L 4.8784 8.2334 122.0195 53.1254 44.3487 175.1067 112 F 5.2236 8.3001 120.5139 54.9168 41.2009 173.8175 113 Q 4.6027 8.9571 121.6217 54.4180 32.0639 173.5659 114 C 4.8421 8.5878 124.0912 56.4805 40.2550 173.1571 115 F 5.0227 8.3356 121.8623 55.2447 42.8266 174.1742 116 N 4.8453 8.8534 119.2296 53.2076 39.1060 175.8505 117 C 4.9004 9.0230 122.0427 57.3118 40.7786 174.3493 118 S 4.4098 9.7015 120.0338 58.5050 63.0891 173.5866 119 L 4.6620 8.0848 122.1790 53.7269 44.2808 178.0797 120 C 4.7616 7.9989 116.6545 55.0405 37.9969 171.8720 121 L 4.1854 7.6558 122.0077 55.6019 42.0641 177.8026 122 N 4.2295 9.0503 119.7368 53.3336 36.3457 173.9467 123 G 3.8710 7.4626 106.9703 44.8214 0.0000 171.6032 124 T 4.5746 8.6956 113.5202 60.1753 71.4283 174.6343 125 V 3.7271 8.4690 128.0875 64.1641 31.4060 174.8375 126 H 4.6437 9.6069 129.3681 58.1904 30.7985 175.5486 127 L 4.7553 7.5587 117.5762 52.6309 45.1735 176.7941 128 S 4.5402 8.8109 119.8378 58.3926 63.8965 174.6371 129 C 4.4260 8.6787 122.2794 57.0784 38.8584 173.0798 130 Q 4.6167 8.9751 125.1935 53.6124 31.2031 176.0522 131 E 4.0069 8.7661 119.1984 59.0398 29.4771 178.1142 132 K 5.0302 7.7892 114.8495 54.3912 33.5747 175.3926 133 Q 4.2971 7.9902 119.4346 54.4452 32.1780 173.4946 134 N 3.8480 7.5803 123.6608 52.9675 39.9100 174.3894 135 T 3.9358 8.2386 119.3185 64.3640 69.4575 173.7846 136 V 4.1389 8.7167 126.1967 61.6580 32.8571 173.9965 137 C 5.1617 8.6392 125.5133 56.1258 40.5386 173.4506 138 T 4.5876 8.6950 116.2194 60.3349 69.6193 172.8085 139 C 4.8319 8.8888 126.2922 57.2365 37.5653 173.4058 140 H 4.8504 9.3484 118.8588 54.9216 30.1878 174.9447 141 A 3.9666 8.5694 123.0129 53.8538 18.5783 176.3618 142 G 3.9828 9.0594 115.0560 46.1923 0.0000 174.2759 143 F 4.8597 7.5568 117.9676 55.6720 40.4727 175.1821 144 F 5.1032 8.5534 116.8666 54.4650 40.5299 174.3281 145 L 3.9116 8.5801 126.7805 55.8214 42.3990 178.0813 *146 R 4.5050 8.1804 126.5058 55.8170 32.1063 174.0987 *147 E 3.9791 8.3118 127.9623 57.4340 27.6503 175.4329 *148 N 4.9025 8.9411 115.2448 53.3988 38.2814 174.6411 149 E 4.7269 7.7210 117.0911 55.5995 33.5776 175.1931 150 C 4.6925 7.8023 119.1461 56.6459 41.2750 173.7208 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 11 M 8.30 4.48 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.14 0.00 12 D 8.32 4.26 0.00 2.74 2.68 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 13 S 8.29 4.66 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 14 V 8.49 3.69 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 0.82 0.00 0.00 0.94 0.00 0.00 15 C 7.71 4.85 0.00 2.98 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 16 P 0.00 4.44 0.00 2.16 1.98 0.00 3.58 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 2.09 2.07 0.00 17 Q 8.41 4.16 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.77 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 18 G 9.23 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 19 K 7.91 5.31 0.00 1.74 1.64 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.33 7.81 20 Y 8.66 4.91 0.00 2.74 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 21 I 8.35 4.21 1.88 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 1.24 0.70 0.97 0.00 0.00 22 H 9.28 4.18 0.00 3.23 3.37 0.00 5.64 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.40 0.00 2.28 2.25 0.00 3.79 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 24 Q 8.24 4.33 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 25 N 7.87 4.63 0.00 2.61 2.52 0.00 0.00 7.09 6.05 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 26 N 8.82 4.58 0.00 2.75 2.86 0.00 0.00 7.13 7.57 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 27 S 8.51 4.60 0.00 3.95 3.87 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 28 I 7.61 4.62 1.83 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 1.19 0.65 0.90 0.00 0.00 29 C 8.75 5.25 0.00 2.72 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 30 C 8.30 5.03 0.00 1.56 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 31 T 8.29 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 1.23 0.00 0.00 32 K 8.83 4.50 0.00 1.66 1.93 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.59 1.70 7.81 33 C 9.45 4.65 0.00 3.01 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 34 H 8.29 5.09 0.00 3.24 3.24 0.00 5.62 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.54 4.25 0.00 2.10 1.94 0.00 1.60 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.47 1.50 7.81 36 G 10.10 4.57 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 0.00 37 T 7.52 5.18 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 1.23 0.00 0.00 38 Y 8.26 4.89 0.00 3.17 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 39 L 9.12 3.96 0.00 1.69 1.79 1.01 0.92 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 40 Y 8.66 4.29 0.00 2.52 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 41 N 7.83 5.02 0.00 2.71 2.65 0.00 0.00 7.13 8.08 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 42 D 9.01 4.97 0.00 2.61 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 43 C 8.74 4.67 0.00 3.19 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 44 P 0.00 4.26 0.00 2.21 2.22 0.00 3.94 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 45 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 46 P 0.00 4.12 0.00 2.02 2.13 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 47 G 7.96 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 48 Q 7.75 4.52 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.75 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 49 D 8.36 4.76 0.00 2.81 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 50 T 8.41 4.32 4.30 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 1.37 0.00 0.00 51 D 9.02 4.66 0.00 2.80 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 52 C 8.53 5.19 0.00 2.83 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 53 R 7.73 4.67 0.00 1.32 1.60 0.00 2.81 0.00 0.00 2.79 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.80 0.00 54 E 8.71 4.56 0.00 1.99 1.87 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 2.34 2.55 0.00 55 C 9.13 4.65 0.00 2.93 3.05 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 56 E 8.74 4.21 0.00 2.05 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 2.38 2.36 0.00 57 S 8.49 4.18 0.00 3.88 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 58 G 10.02 4.05 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 0.00 0.00 0.00 59 S 7.51 5.31 0.00 3.84 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 60 F 8.60 5.06 0.00 3.21 3.23 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 0.00 61 T 8.27 4.49 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 1.19 0.00 0.00 62 A 9.32 5.33 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 63 S 7.54 4.83 0.00 3.87 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 64 E 8.76 4.35 0.00 2.05 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 2.30 2.34 0.00 65 N 9.08 4.67 0.00 2.71 3.02 0.00 0.00 6.40 7.52 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 66 H 7.93 5.02 0.00 2.39 2.73 0.00 5.71 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 67 L 8.74 4.22 0.00 1.74 1.69 0.83 1.01 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 68 R 8.32 4.92 0.00 1.76 1.91 0.00 3.27 0.00 0.00 2.25 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 69 H 7.60 4.42 0.00 3.00 2.99 0.00 5.69 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 70 C 8.03 4.64 0.00 2.68 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 71 L 7.98 4.70 0.00 0.76 1.38 0.69 0.95 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 72 S 8.50 4.72 0.00 3.91 3.87 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 73 C 8.76 4.78 0.00 2.94 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 9.24 4.50 0.00 3.81 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 75 K 8.14 4.51 0.00 1.71 1.70 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.37 7.81 76 C 8.33 4.41 0.00 2.92 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 77 R 8.86 4.09 0.00 1.62 2.09 0.00 2.96 0.00 0.00 3.21 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 78 K 8.46 3.93 0.00 1.75 1.81 0.00 1.63 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.45 7.81 79 E 8.08 4.15 0.00 2.06 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 0.00 2.20 2.28 0.00 80 M 7.96 4.40 0.00 1.93 1.96 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 2.35 2.55 0.00 81 G 7.65 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 82 Q 7.60 4.44 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.34 6.71 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 83 V 8.43 4.57 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 0.70 0.00 0.00 0.96 0.00 0.00 84 E 8.77 4.51 0.00 2.04 1.82 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 2.36 2.29 0.00 85 I 8.79 4.37 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 1.19 0.80 0.92 0.00 0.00 86 S 7.66 4.59 0.00 3.87 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 87 S 8.69 4.80 0.00 3.90 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 88 C 8.73 4.59 0.00 2.95 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 89 T 8.69 4.74 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 1.21 0.00 0.00 90 V 8.42 3.95 2.31 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 0.86 0.00 0.00 0.98 0.00 0.00 91 D 7.74 5.81 0.00 2.72 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 92 R 7.91 4.81 0.00 1.89 1.71 0.00 3.06 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.53 0.00 93 D 8.06 3.89 0.00 1.58 2.14 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 94 T 8.09 3.91 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 1.23 0.00 0.00 95 V 8.86 4.24 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 1.04 0.00 0.00 0.96 0.00 0.00 96 C 8.83 5.30 0.00 3.05 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 97 G 8.86 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 98 C 8.69 5.56 0.00 2.82 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 99 R 8.54 4.19 0.00 2.05 1.86 0.00 3.11 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 100 K 8.25 3.94 0.00 1.72 1.72 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.48 7.81 101 N 9.01 4.45 0.00 2.99 2.95 0.00 0.00 6.76 8.05 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 0.00 102 Q 7.79 5.19 0.00 2.19 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.66 0.00 0.00 0.00 0.00 0.00 2.37 2.27 0.00 103 Y 8.75 5.07 0.00 3.11 3.09 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 0.00 0.00 0.00 104 R 9.09 4.59 0.00 1.56 1.31 0.00 2.76 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.58 0.00 105 H 9.21 5.10 0.00 3.34 3.34 0.00 5.77 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 0.00 106 Y 8.47 4.71 0.00 2.92 3.16 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 0.00 107 W 9.29 4.56 0.00 3.31 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 0.00 108 S 7.76 4.69 0.00 4.04 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 0.00 109 E 9.03 4.08 0.00 1.99 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 2.28 2.29 0.00 110 N 8.28 5.07 0.00 2.81 2.89 0.00 0.00 6.61 7.85 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 0.00 111 L 8.23 4.88 0.00 1.80 1.67 0.86 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 112 F 8.30 5.22 0.00 2.20 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 0.00 0.00 0.00 0.00 113 Q 8.96 4.60 0.00 2.29 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.01 0.00 0.00 0.00 0.00 0.00 1.23 2.15 0.00 114 C 8.59 4.84 0.00 2.67 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 0.00 115 F 8.34 5.02 0.00 2.00 2.58 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 0.00 116 N 8.85 4.85 0.00 2.69 2.82 0.00 0.00 6.99 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 0.00 117 C 9.02 4.90 0.00 2.96 3.09 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 0.00 0.00 0.00 118 S 9.70 4.41 0.00 3.78 3.77 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 L 8.08 4.66 0.00 1.58 1.57 0.91 0.85 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 0.00 120 C 8.00 4.76 0.00 2.89 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 0.00 121 L 7.66 4.19 0.00 1.62 1.46 0.87 0.63 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 0.00 122 N 9.05 4.23 0.00 2.42 1.95 0.00 0.00 6.74 7.95 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 0.00 123 G 7.46 3.87 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 0.00 0.00 0.00 124 T 8.70 4.57 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 1.27 0.00 0.00 125 V 8.47 3.73 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 0.81 0.00 0.00 0.91 0.00 0.00 126 H 9.61 4.64 0.00 3.13 3.42 0.00 5.77 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 0.00 127 L 7.56 4.76 0.00 1.48 1.42 0.81 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 128 S 8.81 4.54 0.00 3.73 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 0.00 129 C 8.68 4.43 0.00 2.97 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 0.00 130 Q 8.98 4.62 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.51 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 131 E 8.77 4.01 0.00 1.99 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 2.35 2.33 0.00 132 K 7.79 5.03 0.00 1.76 1.86 0.00 1.78 0.00 0.00 1.42 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.36 7.81 133 Q 7.99 4.30 0.00 2.01 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.92 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 134 N 7.58 3.85 0.00 1.44 2.22 0.00 0.00 7.16 7.70 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 0.00 135 T 8.24 3.94 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 1.23 0.00 0.00 136 V 8.72 4.14 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 0.92 0.00 0.00 0.89 0.00 0.00 137 C 8.64 5.16 0.00 2.84 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 0.00 138 T 8.69 4.59 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 1.25 0.00 0.00 139 C 8.89 4.83 0.00 3.08 3.09 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 0.00 0.00 0.00 140 H 9.35 4.85 0.00 3.40 3.32 0.00 5.65 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 0.00 141 A 8.57 3.97 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 0.00 142 G 9.06 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 0.00 143 F 7.56 4.86 0.00 3.06 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 0.00 144 F 8.55 5.10 0.00 3.21 3.09 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 0.00 0.00 0.00 145 L 8.58 3.91 0.00 1.60 1.64 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 *146 R 8.18 4.50 0.00 1.74 1.75 0.00 3.41 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.43 0.00 *147 E 8.31 3.98 0.00 2.16 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 2.11 1.86 0.00 *148 N 8.94 4.90 0.00 2.73 2.73 0.00 0.00 6.29 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 0.00 149 E 7.72 4.73 0.00 1.82 1.70 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 2.15 2.19 0.00 150 C 7.80 4.69 0.00 3.00 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 * Residues marked with a * may have inaccurate shift predictions.