NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.2150 8.1633 120.7505 55.3298 33.8941 174.0023 2 R 4.5918 8.9473 120.9578 52.0401 35.0261 169.3554 3 V 5.2735 7.9503 121.9107 58.9929 34.7086 174.3191 4 V 4.1094 8.5726 126.4930 62.6018 32.7058 174.4019 5 I 4.8482 8.9431 130.0984 59.9842 39.2670 174.7802 6 Q 5.1780 8.8308 125.8333 53.7144 31.9337 175.1328 7 R 4.3223 8.9061 125.1826 56.6186 31.3725 175.7065 8 V 5.0742 9.2174 118.3885 59.8516 35.8219 176.2825 9 K 4.7028 8.4479 121.4090 55.9551 32.9140 177.2203 10 G 4.7405 7.4289 108.2910 45.6265 0.0000 171.8270 11 A 5.3023 8.4248 122.3281 50.4578 23.4128 175.9020 12 I 4.7836 8.6557 120.6614 59.8429 41.2871 173.9747 13 L 4.5835 8.9022 130.8097 54.1694 43.3893 175.7119 14 S 5.2134 8.6992 120.5057 57.0824 67.8298 173.1029 15 V 4.7829 8.7851 113.9370 59.4342 36.4817 175.4064 16 R 4.4179 8.7897 123.7289 57.1031 30.5568 178.0148 17 K 3.9813 8.5206 125.4265 57.4084 32.3174 174.6176 *26 E 4.2842 7.7560 120.1900 55.6916 31.2131 173.7882 27 L 5.2826 8.4398 123.9285 52.9460 44.9711 175.1956 28 E 4.6245 9.3158 125.3305 54.2082 31.6679 175.0409 29 I 4.5999 8.7307 128.3446 60.9727 37.5997 175.6821 30 I 4.6082 8.5622 119.0360 59.7972 38.9222 175.0869 31 S 4.6772 7.7163 114.2411 58.3759 65.3411 174.8932 32 E 5.2860 8.7438 124.4359 55.0180 33.5676 174.4744 33 I 4.6701 8.8693 116.6903 58.1917 41.3414 174.6783 34 K 4.9926 8.3030 130.2276 55.7379 30.6321 178.3466 35 N 4.6362 8.7028 125.3805 53.4392 39.5849 174.6442 36 G 4.8050 7.1210 108.2816 46.2828 0.0000 171.0232 37 L 5.3062 8.0883 122.1063 52.8827 45.5791 175.3452 38 I 4.5754 8.4723 122.2878 58.7864 40.1204 175.6738 39 C 5.0424 7.5711 129.3268 58.1224 26.9740 174.8209 40 F 4.1014 6.6674 117.6201 57.2676 39.7285 176.1472 41 L 5.1894 9.5552 127.0888 53.1642 44.7730 175.3309 42 G 4.5096 9.0878 112.5697 44.6397 0.0000 171.5791 43 I 5.1096 8.8057 126.8779 60.7026 39.2066 175.1174 44 H 4.1379 11.2100 128.6717 55.2386 31.0061 176.6253 45 K 3.8733 8.1970 127.4455 57.7321 31.3707 178.7482 46 N 5.0441 8.2520 113.9807 52.5785 39.0068 174.6801 47 D 4.8052 7.9814 119.1766 54.8279 41.7179 176.1369 48 T 4.7379 10.2831 113.7770 58.8875 71.8622 174.6367 49 W 4.9044 9.2561 131.7075 61.1222 30.1903 177.5895 50 E 3.9093 7.6860 117.8636 60.6683 29.2577 178.6033 51 D 4.1878 8.2621 115.5879 58.1508 40.8532 178.8365 52 A 3.7164 7.9804 119.9728 55.6928 18.5766 179.3320 53 L 3.3556 7.2376 116.9984 58.0817 41.5024 179.4246 54 Y 4.1680 8.1516 119.4265 60.9711 38.7906 177.2554 55 I 3.5256 7.7449 120.0061 64.8589 37.0583 177.7567 56 I 3.0225 7.6266 122.3474 65.2911 36.4042 179.2471 57 R 4.0006 7.6469 120.7963 60.7628 29.3256 180.8689 58 K 3.9855 8.4468 119.1834 59.8629 31.8310 178.6190 59 C 3.9607 8.0686 115.6149 63.5976 28.0350 176.3637 60 L 4.1126 8.1924 119.7125 56.8676 41.0491 178.3147 61 N 4.7129 7.4783 112.4773 52.5969 40.1955 174.6074 62 L 4.0796 8.0414 120.7909 54.4372 41.8642 176.7020 63 R 5.0737 8.5230 123.1379 55.6853 28.8732 175.8920 64 L 5.0628 8.8730 120.7088 54.0160 43.3952 176.3899 65 W 4.7041 8.4001 119.2766 54.4982 32.4372 175.3058 66 N 4.9291 8.5495 120.0803 53.8715 39.9881 173.8737 67 N 4.9800 9.4851 118.2211 53.0094 41.4690 175.8268 68 D 4.4067 8.6437 128.5363 55.0758 40.7836 175.7503 69 N 4.2573 9.3648 126.7452 57.5076 38.6237 175.3467 70 K 4.2384 8.2760 121.2654 53.6769 30.9966 179.4023 71 T 4.8602 8.2612 114.5883 60.5950 69.7064 175.3225 72 W 3.9056 6.8572 116.8627 57.9473 25.9229 173.0919 73 D 4.9113 9.3875 123.5687 55.2601 43.5990 176.6965 74 K 5.0070 8.1783 120.5756 53.3638 34.9688 177.4484 75 N 5.8587 9.8898 120.9455 50.7160 39.1472 175.6378 76 V 3.3291 9.0699 121.5352 65.5781 31.5144 179.0336 77 K 3.5713 7.4881 122.2399 57.0677 31.3994 180.3780 78 D 4.4103 8.5792 118.5482 56.4046 40.7671 177.6091 79 L 4.0757 7.1577 116.1804 53.2051 42.6191 176.1317 80 N 4.2284 7.7479 115.0636 53.6312 36.0587 172.2960 81 Y 5.1965 7.4488 114.1886 56.4589 41.8795 176.7048 82 E 4.8816 8.5044 120.0660 55.3128 32.2896 175.2916 83 L 5.1721 8.4177 121.1488 52.9174 45.3251 175.3232 84 L 4.7567 8.4771 126.0396 53.9309 43.5842 174.9672 85 I 4.7017 9.0579 128.1024 59.6000 39.4765 175.0232 86 V 4.5276 8.2623 125.8253 61.0415 35.6305 174.1631 87 S 4.9792 8.6269 120.1495 57.4545 62.8052 173.4150 88 Q 4.5199 10.6335 130.2234 53.8174 28.8104 175.7090 89 F 4.5344 8.3343 120.2525 58.8008 38.5334 177.5560 90 T 4.1825 7.0772 109.6956 62.2302 68.9559 175.4787 91 L 4.0520 7.6446 123.1265 57.5886 42.1490 178.0760 92 F 4.6354 7.8010 118.2894 55.9508 37.2027 176.4975 93 G 3.9140 7.6853 109.3513 43.5059 0.0000 170.1739 94 N 4.3999 9.1120 125.8667 53.8522 38.5508 175.0743 95 T 4.6600 8.3291 116.1690 61.5288 70.1444 175.4652 96 K 3.9334 8.5675 126.7831 58.1240 31.6205 181.6997 97 K 4.4837 7.9110 120.0841 53.1746 33.6579 176.4351 98 G 4.2425 8.6719 115.0446 44.6830 0.0000 173.5494 99 N 4.8203 8.4263 119.1245 53.0952 38.5659 175.5101 100 K 4.4148 7.8839 119.0492 53.8814 34.6487 174.0023 101 P 4.4725 0.0000 0.0000 62.3784 32.2296 175.2141 102 D 4.2442 7.8060 117.8466 52.8828 44.2358 174.8985 103 F 5.1416 8.2188 124.8594 56.4447 39.2341 174.0191 104 H 4.7141 7.9474 121.7478 57.9693 30.1312 177.9242 105 L 3.7399 7.9838 116.8598 56.1775 41.5338 176.1662 106 A 4.5749 7.8634 122.1067 50.0984 19.5252 176.7814 107 K 3.8753 7.7207 122.5794 56.5234 33.2335 175.7786 108 E 4.1397 9.2689 127.5410 56.1970 30.5639 176.4246 109 P 4.4132 0.0000 0.0000 65.5233 31.7778 178.0911 110 N 4.3777 9.4182 116.4828 56.4931 38.3983 177.5570 111 E 4.0167 8.3582 119.2784 59.5086 29.1076 178.7166 112 A 4.2639 8.3883 121.1465 54.6943 18.4419 179.2171 113 L 2.5785 10.0121 117.5523 57.7799 42.1109 179.8410 114 I 3.7216 7.4621 111.9626 63.8854 37.6449 177.8792 115 F 4.5617 8.5184 122.9902 61.5732 39.2285 175.7500 116 Y 4.1729 9.4654 119.2566 61.6764 38.4173 177.9846 117 N 4.3269 8.9841 116.9815 56.2690 38.7196 177.4398 118 K 3.8639 8.4832 120.2301 59.8687 32.2101 178.8552 119 I 3.7431 7.9331 119.7265 64.5682 36.9419 178.1740 120 I 3.7937 7.8925 120.3051 64.9733 37.0631 178.1773 121 D 4.3723 8.3224 119.3927 57.3680 40.7057 178.3089 122 E 4.0707 8.5105 119.9163 59.7917 29.7118 178.3205 123 F 4.4115 8.8556 118.0359 60.4908 38.5563 177.3636 124 K 3.9322 8.9459 118.1785 60.1051 31.8387 179.4890 125 K 4.1929 8.5097 118.0039 58.5056 32.0347 178.1847 126 Q 4.6381 8.3225 117.6023 55.6067 29.0152 174.6695 127 Y 5.0860 8.4416 117.6644 57.2792 42.1693 174.1680 128 N 4.6120 6.3208 109.0555 52.3959 43.4104 174.3846 129 D 4.4351 9.0278 125.1145 57.7576 41.5931 177.5069 130 D 4.3976 9.6032 119.7676 57.5785 41.0418 178.4555 131 K 4.1002 7.4438 114.9682 57.3472 31.9842 176.2062 132 I 4.7994 7.3678 123.1384 59.9682 38.7692 175.9220 133 K 4.8212 9.0357 130.5939 53.3791 35.7584 171.9186 134 I 5.0026 7.6879 114.8044 58.2522 40.9582 173.1964 135 G 4.2676 8.5910 110.3582 45.0835 0.0000 173.1696 136 K 4.3151 8.5623 120.7997 53.5495 31.0293 172.6303 137 F 3.9228 8.8339 127.6897 58.8395 39.4396 175.1098 138 G 3.8208 8.1042 115.1026 46.3112 0.0000 172.3404 139 N 4.9411 7.7187 116.1290 50.5156 40.8037 173.8181 140 Y 3.9027 8.7581 123.0660 58.9189 38.8340 175.0550 141 M 4.8133 7.5274 127.1376 54.1116 35.8772 174.9282 142 N 4.3854 8.2729 117.9189 53.7491 41.7749 173.7562 143 I 5.1012 8.0729 127.6150 58.6172 39.6485 175.2889 144 D 4.6525 8.6417 127.8154 53.9685 42.1306 175.7117 145 V 4.5792 8.2701 122.3784 61.6479 34.6746 175.8270 146 T 4.4631 8.9147 126.0490 61.4064 67.7065 172.5916 147 N 4.6134 8.4276 121.0932 53.9199 39.4476 174.5896 148 D 4.5908 9.6022 123.4201 50.1174 40.0041 176.1902 149 G 4.7198 7.9882 119.2067 45.7826 0.0000 169.3119 150 P 4.4109 0.0000 0.0000 61.1502 32.8775 175.4406 151 V 4.3593 8.0353 117.0831 61.6370 34.3738 174.1269 152 T 5.4966 8.5594 124.3983 60.8550 70.6077 172.9044 153 I 4.2437 8.1718 127.4817 60.3234 39.0207 174.0726 154 Y 5.0674 8.6393 127.7896 55.8767 40.8629 174.6368 155 I 4.7191 7.5334 126.0116 59.4355 41.4189 173.9092 156 D 5.2683 8.5461 123.6951 52.9191 43.7165 175.4768 157 T 4.3661 8.6425 115.6861 63.4169 70.4496 175.4257 158 H 4.7651 9.2260 120.4065 56.2238 28.7524 175.0559 159 D 4.4148 8.1519 125.1075 54.7063 41.7737 175.6391 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 M 8.16 5.21 0.00 1.73 2.01 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 2.50 2.15 0.00 2 R 8.95 4.59 0.00 1.23 1.53 0.00 2.21 0.00 0.00 3.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.38 0.00 3 V 7.95 5.27 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 0.41 0.00 0.00 1.02 0.00 0.00 4 V 8.57 4.11 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 1.05 0.00 0.00 0.95 0.00 0.00 5 I 8.94 4.85 1.98 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.44 0.91 0.00 0.00 6 Q 8.83 5.18 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 7 R 8.91 4.32 0.00 1.58 1.60 0.00 2.21 0.00 0.00 2.40 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.90 0.00 8 V 9.22 5.07 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 0.85 0.00 0.00 0.98 0.00 0.00 9 K 8.45 4.70 0.00 1.61 1.84 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.62 1.23 7.81 10 G 7.43 4.74 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 0.00 0.00 0.00 11 A 8.42 5.30 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 8.66 4.78 1.86 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 1.10 1.37 0.91 0.00 0.00 13 L 8.90 4.58 0.00 1.69 1.51 0.90 1.06 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 14 S 8.70 5.21 0.00 3.89 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 15 V 8.79 4.78 2.13 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 0.75 0.00 0.00 1.03 0.00 0.00 16 R 8.79 4.42 0.00 1.88 1.90 0.00 3.19 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 17 K 8.52 3.98 0.00 1.80 1.71 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.24 7.81 *26 E 7.76 4.28 0.00 2.08 1.89 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 2.29 2.37 0.00 27 L 8.44 5.28 0.00 1.55 1.64 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.32 4.62 0.00 1.99 1.81 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 2.23 2.27 0.00 29 I 8.73 4.60 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 1.03 1.77 0.91 0.00 0.00 30 I 8.56 4.61 1.89 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 1.13 0.67 1.06 0.00 0.00 31 S 7.72 4.68 0.00 3.91 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 32 E 8.74 5.29 0.00 1.82 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 33 I 8.87 4.67 1.82 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 1.18 1.29 0.86 0.00 0.00 34 K 8.30 4.99 0.00 1.87 1.23 0.00 1.66 0.00 0.00 1.61 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.52 7.81 35 N 8.70 4.64 0.00 1.88 1.42 0.00 0.00 6.66 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.12 4.80 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 0.00 37 L 8.09 5.31 0.00 1.62 1.56 1.04 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.47 4.58 1.68 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.12 1.27 0.81 0.00 0.00 39 C 7.57 5.04 0.00 2.86 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 40 F 6.67 4.10 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 41 L 9.56 5.19 0.00 1.97 1.82 1.06 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 42 G 9.09 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.81 5.11 2.18 0.00 0.00 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 1.57 1.19 1.47 0.00 0.00 44 H 11.21 4.14 0.00 3.27 3.41 0.00 5.63 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.20 3.87 0.00 1.76 1.76 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.41 1.33 7.81 46 N 8.25 5.04 0.00 2.72 2.84 0.00 0.00 6.91 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 47 D 7.98 4.81 0.00 3.07 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 48 T 10.28 4.74 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 49 W 9.26 4.90 0.00 3.54 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.69 3.91 0.00 2.12 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 2.45 2.58 0.00 51 D 8.26 4.19 0.00 3.16 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 52 A 7.98 3.72 0.66 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 53 L 7.24 3.36 0.00 1.65 1.54 0.61 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 8.15 4.17 0.00 2.86 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 55 I 7.74 3.53 1.81 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.70 0.85 0.00 0.00 56 I 7.63 3.02 1.52 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 1.02 0.15 0.00 0.00 57 R 7.65 4.00 0.00 1.85 1.93 0.00 3.27 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 58 K 8.45 3.99 0.00 1.45 1.65 0.00 1.49 0.00 0.00 1.47 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.47 1.00 7.81 59 C 8.07 3.96 0.00 3.34 3.17 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 60 L 8.19 4.11 0.00 1.63 1.58 1.07 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.48 4.71 0.00 2.89 2.81 0.00 0.00 7.04 7.73 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 62 L 8.04 4.08 0.00 1.80 1.64 0.85 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.52 5.07 0.00 1.93 2.13 0.00 3.24 0.00 0.00 3.94 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.85 0.00 64 L 8.87 5.06 0.00 0.96 1.47 0.87 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 65 W 8.40 4.70 0.00 3.31 2.99 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 66 N 8.55 4.93 0.00 2.63 2.93 0.00 0.00 6.38 6.92 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 67 N 9.49 4.98 0.00 2.72 2.66 0.00 0.00 7.83 9.12 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 68 D 8.64 4.41 0.00 2.80 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 0.00 0.00 0.00 69 N 9.36 4.26 0.00 2.71 2.89 0.00 0.00 6.68 7.61 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 70 K 8.28 4.24 0.00 1.66 1.74 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.37 1.24 7.81 71 T 8.26 4.86 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 0.96 0.00 0.00 72 W 6.86 3.91 0.00 3.42 3.59 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 73 D 9.39 4.91 0.00 2.72 2.67 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 74 K 8.18 5.01 0.00 1.46 1.63 0.00 1.83 0.00 0.00 1.87 0.00 0.00 2.84 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.34 0.97 7.81 75 N 9.89 5.86 0.00 2.88 3.03 0.00 0.00 6.91 8.14 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 76 V 9.07 3.33 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 0.81 0.00 0.00 1.05 0.00 0.00 77 K 7.49 3.57 0.00 1.63 1.88 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.31 7.81 78 D 8.58 4.41 0.00 2.59 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 79 L 7.16 4.08 0.00 0.27 0.29 0.04 0.79 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 80 N 7.75 4.23 0.00 2.69 2.80 0.00 0.00 6.81 7.00 0.00 0.00 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 Y 7.45 5.20 0.00 2.74 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.50 4.88 0.00 1.84 1.81 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 2.21 2.25 0.00 83 L 8.42 5.17 0.00 1.36 1.32 1.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.48 4.76 0.00 1.70 1.41 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 85 I 9.06 4.70 1.83 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 0.86 0.54 0.97 0.00 0.00 86 V 8.26 4.53 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 0.90 0.00 0.00 0.87 0.00 0.00 87 S 8.63 4.98 0.00 3.32 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 10.63 4.52 0.00 2.31 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 89 F 8.33 4.53 0.00 3.20 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 90 T 7.08 4.18 4.03 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 0.13 0.00 0.00 91 L 7.64 4.05 0.00 1.57 1.51 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 92 F 7.80 4.64 0.00 3.26 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 93 G 7.69 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 0.00 0.00 0.00 94 N 9.11 4.40 0.00 2.78 2.72 0.00 0.00 6.55 6.76 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 95 T 8.33 4.66 4.21 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 1.15 0.00 0.00 96 K 8.57 3.93 0.00 1.79 1.79 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.03 7.81 97 K 7.91 4.48 0.00 1.75 1.61 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.27 0.97 7.81 98 G 8.67 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 0.00 0.00 0.00 0.00 99 N 8.43 4.82 0.00 2.70 2.84 0.00 0.00 6.66 7.61 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 0.00 100 K 7.88 4.41 0.00 1.65 1.61 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.38 7.81 101 P 0.00 4.47 0.00 1.61 1.78 0.00 3.68 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 102 D 7.81 4.24 0.00 2.45 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 F 8.22 5.14 0.00 3.06 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 0.00 104 H 7.95 4.71 0.00 3.19 3.29 0.00 5.63 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.98 3.74 0.00 1.62 1.35 1.03 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.86 4.57 1.35 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 0.00 0.00 107 K 7.72 3.88 0.00 1.81 1.86 0.00 1.95 0.00 0.00 1.71 0.00 0.00 2.73 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.50 1.59 7.81 108 E 9.27 4.14 0.00 2.05 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 0.00 2.36 2.28 0.00 109 P 0.00 4.41 0.00 2.32 2.21 0.00 3.63 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 110 N 9.42 4.38 0.00 2.78 2.86 0.00 0.00 7.13 7.28 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 0.00 111 E 8.36 4.02 0.00 2.07 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 0.00 2.38 2.42 0.00 112 A 8.39 4.26 1.67 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 0.00 0.00 113 L 10.01 2.58 0.00 0.90 1.53 0.52 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.46 3.72 1.88 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 1.42 1.18 0.96 0.00 0.00 115 F 8.52 4.56 0.00 3.30 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 0.00 116 Y 9.47 4.17 0.00 3.45 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 0.00 117 N 8.98 4.33 0.00 2.93 2.91 0.00 0.00 7.15 8.72 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 0.00 118 K 8.48 3.86 0.00 2.08 1.72 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.63 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.24 1.56 7.81 119 I 7.93 3.74 1.79 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.67 0.60 0.00 0.00 120 I 7.89 3.79 1.98 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.83 0.94 0.00 0.00 121 D 8.32 4.37 0.00 2.88 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.51 4.07 0.00 2.42 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 0.00 2.38 2.28 0.00 123 F 8.86 4.41 0.00 3.30 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 0.00 124 K 8.95 3.93 0.00 1.96 1.93 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.80 7.81 125 K 8.51 4.19 0.00 1.94 1.93 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.49 7.81 126 Q 8.32 4.64 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 127 Y 8.44 5.09 0.00 3.04 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 0.00 128 N 6.32 4.61 0.00 2.64 1.92 0.00 0.00 7.06 8.37 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 0.00 129 D 9.03 4.44 0.00 2.66 2.67 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 0.00 130 D 9.60 4.40 0.00 2.72 2.57 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 0.00 131 K 7.44 4.10 0.00 0.86 1.56 0.00 1.55 0.00 0.00 1.52 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.08 0.94 7.81 132 I 7.37 4.80 1.82 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 1.21 0.92 0.76 0.00 0.00 133 K 9.04 4.82 0.00 1.38 1.62 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.25 1.21 7.81 134 I 7.69 5.00 2.12 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 2.07 0.99 0.00 0.00 135 G 8.59 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 0.00 136 K 8.56 4.32 0.00 1.70 1.75 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.44 0.99 7.81 137 F 8.83 3.92 0.00 2.74 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 0.00 138 G 8.10 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 0.00 0.00 0.00 139 N 7.72 4.94 0.00 2.98 2.76 0.00 0.00 6.76 7.51 0.00 0.00 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 Y 8.76 3.90 0.00 2.94 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 0.00 141 M 7.53 4.81 0.00 1.81 1.82 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.45 0.00 142 N 8.27 4.39 0.00 2.72 2.64 0.00 0.00 7.45 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 0.00 143 I 8.07 5.10 1.91 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 1.33 1.76 0.96 0.00 0.00 144 D 8.64 4.65 0.00 2.60 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 0.00 145 V 8.27 4.58 2.13 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 0.87 0.00 0.00 0.99 0.00 0.00 146 T 8.91 4.46 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 0.00 147 N 8.43 4.61 0.00 2.60 2.78 0.00 0.00 6.94 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 0.00 148 D 9.60 4.59 0.00 2.63 2.49 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 0.00 149 G 7.99 4.72 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 0.00 0.00 0.00 150 P 0.00 4.41 0.00 2.17 2.07 0.00 3.45 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 151 V 8.04 4.36 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 1.22 0.00 0.00 0.87 0.00 0.00 152 T 8.56 5.50 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 1.25 0.00 0.00 153 I 8.17 4.24 1.85 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.86 0.87 0.00 0.00 154 Y 8.64 5.07 0.00 2.98 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 0.00 155 I 7.53 4.72 1.64 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.00 0.83 0.00 0.00 156 D 8.55 5.27 0.00 2.93 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 0.00 157 T 8.64 4.37 4.52 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 1.44 0.00 0.00 158 H 9.23 4.77 0.00 3.37 3.43 0.00 5.79 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 8.15 4.41 0.00 2.69 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.