NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 P 4.3887 0.0000 0.0000 61.2741 31.9473 175.4377 9 K 3.7941 8.1214 120.1068 55.1202 33.1566 174.3585 10 P 4.4624 0.0000 0.0000 62.5399 32.8258 175.8782 11 S 4.7576 8.0434 116.3160 55.5848 65.9379 173.5330 12 F 2.8088 8.0785 123.6897 57.2152 39.5814 173.1686 13 P 2.9700 0.0000 0.0000 61.8597 32.0259 175.6352 14 Y 4.1428 7.4582 118.1425 57.7795 38.6278 175.7502 15 G 4.0241 8.9638 110.3676 45.2702 0.0000 173.0432 16 S 4.7135 7.4741 113.4750 55.6215 66.3677 173.2062 17 P 4.2743 0.0000 0.0000 65.2912 31.2295 179.1633 18 G 3.7647 7.7456 106.1463 47.8253 0.0000 175.6196 19 E 4.0036 7.9448 118.8216 59.2215 29.4862 178.7532 20 L 3.6005 7.7025 119.8077 58.0732 41.8052 178.0628 21 N 4.7281 7.3491 112.3972 54.5325 38.4568 175.2049 22 S 4.5022 7.6187 113.3504 57.4526 63.6782 173.1843 23 F 4.7199 7.9814 122.7825 57.1286 38.9534 175.5529 24 L 3.8377 8.5759 130.8402 58.1269 41.4221 177.0635 25 P 4.0928 0.0000 0.0000 65.2556 31.1501 177.8102 26 Y 4.1938 7.8052 118.5846 60.1181 38.9040 177.4923 27 L 3.7139 7.8083 119.5032 57.6512 41.9871 178.8930 28 L 3.8868 8.0542 119.3820 58.3235 41.5789 179.7215 29 T 3.8744 7.2730 112.4037 65.1126 67.2135 176.6507 30 R 3.9199 7.4485 119.4953 59.4095 29.9330 179.0986 31 I 3.8726 7.6471 119.2322 64.3468 37.1292 178.5405 32 T 4.0486 7.8109 116.5984 66.6452 68.4358 176.5083 33 H 4.2443 8.7898 120.7035 59.1354 29.9468 177.5605 34 I 3.7148 7.5745 121.8279 63.9313 36.8704 178.1094 35 W 4.1587 8.4748 129.3677 60.7424 30.2655 178.0753 36 S 4.1377 8.4826 112.6205 60.8233 61.8537 176.3321 37 S 4.1055 7.7613 118.0446 61.6267 62.9941 176.3358 38 E 4.1097 7.9900 120.2849 58.5204 29.1348 178.7171 39 L 3.5649 7.2431 120.3597 57.0550 42.3627 178.2614 40 N 4.4525 7.7040 115.5316 55.3165 38.2532 176.3284 41 Q 4.3659 7.3931 115.3848 56.5918 29.4088 176.5860 42 A 4.3794 7.1356 121.0184 53.7690 19.9118 178.8140 43 L 3.9931 8.1155 117.7433 57.2039 41.4741 178.8892 44 A 3.9850 7.5931 120.2968 55.5638 18.1796 179.3876 45 S 4.1598 7.9606 112.1208 62.1010 63.0797 176.4396 46 E 4.0004 8.2419 120.2231 57.0420 29.6916 177.1928 47 K 4.2545 7.4123 118.1917 57.8593 32.1816 176.2393 48 L 4.4361 6.9086 121.6904 53.1844 41.2585 174.0785 49 P 4.3461 0.0000 0.0000 62.2611 33.6074 176.1440 50 T 3.8676 8.5062 116.6523 67.2472 67.9212 174.0385 51 P 4.1590 0.0000 0.0000 66.6384 30.8310 178.5300 52 K 4.0832 7.8939 116.6225 59.0848 32.1600 179.3820 53 L 3.9808 8.3240 121.4447 58.0907 42.0934 178.9178 54 R 3.9452 8.5463 118.3346 59.4932 30.1916 179.1299 55 L 4.0116 7.5808 117.3361 57.6729 41.5672 179.6295 56 L 3.9936 7.6287 117.8721 57.7747 41.4485 179.1805 57 S 4.1336 8.0975 113.1083 61.7599 62.2308 176.6567 58 S 4.1990 8.0661 117.4623 61.7104 62.6392 176.7196 59 L 4.2320 7.8677 121.2648 57.7510 41.0703 179.5247 60 S 4.1128 8.4668 112.8018 60.9010 62.3305 175.5867 61 A 4.2501 7.6571 122.7392 54.3690 18.9012 178.2325 62 Y 4.3232 8.7658 112.9283 57.9088 39.0621 175.9753 63 G 4.0748 8.9438 114.3560 43.0676 0.0000 172.8057 64 E 4.8033 8.2359 122.3685 53.8157 32.5056 175.2700 65 L 5.1886 8.5042 126.5421 52.9044 45.7745 176.6185 66 T 4.4199 9.1133 112.5715 61.3651 70.2760 176.1969 67 V 3.7239 8.4588 115.2902 64.1796 31.0310 179.0804 68 G 3.9510 8.0082 105.2629 47.7718 0.0000 175.6459 69 Q 3.9735 8.0066 120.3875 58.6031 28.6428 178.7369 70 L 3.8976 8.1604 120.0316 57.8335 41.4635 179.5344 71 A 4.1491 7.7731 120.6208 55.1496 18.4498 178.8731 72 T 4.0060 7.5609 114.5655 65.5259 68.2873 176.6012 73 L 3.8100 7.9866 123.0868 58.1980 42.0414 179.1296 74 G 3.6800 8.1861 104.1016 45.1832 0.0000 173.3781 75 V 3.0377 7.5403 119.8935 63.3306 29.7322 171.5897 *77 E 4.1193 7.5157 121.5331 55.4270 32.4170 175.2328 78 Q 3.9797 8.4268 123.7057 59.0489 28.9367 179.3718 79 S 4.0952 7.9526 114.6156 61.7959 63.1603 176.3222 80 T 3.8250 7.9305 119.3968 66.8166 68.1499 175.9835 81 T 3.7675 7.9955 116.9317 67.3958 68.5194 175.9216 82 S 4.0888 8.3338 114.4316 61.6305 62.5073 176.9126 83 R 3.8891 8.0378 120.5515 59.7002 29.8493 179.1995 84 T 3.9552 8.3593 115.5258 66.2060 68.3272 176.8209 85 V 3.6641 8.0862 121.1417 65.8808 31.5731 177.7473 86 D 4.4542 8.2787 118.4883 57.5616 40.4886 177.8287 87 Q 4.0458 8.1171 119.1758 58.3707 28.5427 178.1957 88 L 3.6155 8.1457 120.3309 58.1558 41.8062 180.1806 89 V 4.5451 7.6857 119.4355 65.8508 31.4011 177.9633 90 D 4.4297 8.1351 117.5814 56.8952 40.7571 177.8315 91 E 4.3219 8.7593 117.8352 56.3554 29.7251 177.4014 92 G 3.9251 8.1908 107.8201 45.6479 0.0000 174.2742 93 L 4.5210 8.7818 121.1013 55.4991 43.3164 176.0862 94 A 4.8993 7.7764 118.7500 50.5237 23.3545 174.2500 95 A 5.0299 8.8150 119.7625 50.7103 23.3516 175.4138 96 R 5.0085 8.4522 117.5967 55.3270 32.0248 176.9826 97 S 4.1088 8.6128 119.2252 60.3636 66.9149 172.3492 98 I 4.3987 8.7987 124.3148 61.2627 43.9781 173.0767 *102 D 4.7469 8.9752 118.2727 54.3548 41.7901 181.6663 103 Q 4.8368 8.7704 120.5841 54.4347 30.7720 175.7194 104 R 4.5632 8.1803 112.8544 55.6753 30.0443 174.0405 105 K 4.5948 7.8581 121.0163 54.5662 35.8982 176.9413 106 R 4.4257 8.3961 115.9892 55.8282 29.0420 176.0749 107 T 4.6598 8.1973 116.3657 60.8473 71.9000 173.6579 108 V 4.9649 9.0582 122.3111 61.3654 34.8953 174.6708 109 V 4.8907 8.7091 118.2910 59.2600 36.2429 174.3777 110 L 4.7059 8.4981 124.3095 55.0743 43.0295 176.2177 111 T 4.4987 8.2729 115.3803 60.2492 71.2901 175.7008 112 R 3.9288 8.6093 120.7153 59.1989 30.0527 179.0091 113 K 3.9722 8.1858 119.1242 59.6769 32.1434 178.8986 114 G 3.7299 7.6015 106.1341 47.1340 0.0000 175.3700 115 K 3.8239 8.1117 120.8280 59.4817 32.1336 178.8836 116 K 3.8398 7.8775 119.3624 59.5042 31.6501 178.5001 117 K 3.8250 7.9078 119.3877 59.6627 32.0788 178.2858 118 L 3.9676 7.9070 118.6896 58.1117 41.4203 179.2545 119 A 4.1539 8.2049 119.6085 55.6509 18.2251 179.2493 120 E 4.0761 7.9477 116.2162 59.2755 29.9006 178.6961 121 I 3.9779 7.6453 118.0554 62.9682 38.1257 177.7344 122 S 4.1025 8.3892 116.1775 61.4436 62.4534 174.9577 123 P 4.2958 0.0000 0.0000 64.8626 30.9390 178.3752 124 L 4.0883 8.4815 119.4009 58.1106 42.0142 178.5347 125 I 3.6793 7.8277 119.2202 64.7144 37.0056 177.4577 126 N 4.4265 8.2564 116.8378 57.0641 38.4351 177.1849 127 D 4.4389 8.0976 119.6915 57.4700 40.8548 179.1076 128 F 3.9892 8.6312 118.5682 60.4756 38.8602 176.9874 129 H 4.4402 9.0358 118.0661 59.6726 29.6459 177.1078 130 A 3.9703 8.4366 122.4981 55.1486 17.9278 179.5265 131 E 3.9149 7.8196 116.5454 59.9736 29.6843 178.1987 132 L 3.8150 8.5322 118.3414 58.8540 42.2694 178.4596 133 V 3.6719 8.6759 118.2580 64.4488 31.8930 177.9139 134 G 3.7645 8.0829 107.1047 47.2551 0.0000 173.3023 135 N 4.8041 8.6454 120.9029 52.6909 38.6272 175.1290 136 V 3.6468 7.2551 117.8063 62.6234 32.2129 175.4232 137 D 4.3403 8.6813 124.5465 54.1836 41.7818 174.7081 138 P 4.2220 0.0000 0.0000 66.2355 31.1195 177.9239 139 D 4.6234 8.2882 115.4562 55.6856 41.2166 177.9209 140 K 3.9586 7.3826 117.5944 57.4255 32.4312 177.7874 141 L 4.1546 7.9665 119.9054 56.6670 42.0393 178.2896 142 Q 4.0112 7.9182 119.2213 59.4391 29.0577 177.5264 143 T 3.8153 7.3622 116.4702 66.8853 68.4936 175.9394 144 C 4.0459 8.1543 120.6267 62.4336 31.4341 175.2862 145 I 3.9364 7.5005 112.8938 62.7177 37.5070 177.7986 146 E 3.9920 8.1655 121.3290 59.2093 29.3810 178.7422 147 V 3.5346 8.0106 118.5108 66.2062 31.7296 178.0457 148 L 4.2364 8.3048 118.8228 57.7377 41.3093 179.9430 149 G 3.6222 7.7653 105.7378 47.3657 0.0000 175.6065 150 E 3.9567 8.5733 122.0622 59.2279 29.8357 178.9334 151 I 3.7102 8.3355 120.2123 64.3097 36.9349 178.0123 152 L 4.1782 7.6240 119.2940 57.2436 41.9008 178.8113 153 K 4.2446 7.7745 119.2922 59.3244 31.8810 178.8861 154 G 3.9672 7.8512 102.6431 45.5808 0.0000 174.1632 155 K 4.5581 8.2673 118.1082 54.5642 32.8342 176.1222 156 T 3.6138 7.0997 118.5685 62.7919 69.2857 171.9041 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 8 P 0.00 4.39 0.00 2.06 2.09 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.11 0.00 9 K 8.12 3.79 0.00 1.85 1.85 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.61 7.81 10 P 0.00 4.46 0.00 2.35 2.39 0.00 3.70 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 11 S 8.04 4.76 0.00 3.88 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.08 2.81 0.00 2.59 2.76 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 13 P 0.00 2.97 0.00 1.73 1.26 0.00 3.26 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 14 Y 7.46 4.14 0.00 2.87 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 15 G 8.96 4.02 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 0.00 0.00 0.00 16 S 7.47 4.71 0.00 3.93 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 17 P 0.00 4.27 0.00 2.17 2.12 0.00 3.56 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 18 G 7.75 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.94 4.00 0.00 2.23 2.00 0.00 0.00 0.00 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 2.32 0.00 20 L 7.70 3.60 0.00 1.50 1.22 0.96 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 21 N 7.35 4.73 0.00 2.83 2.87 0.00 0.00 6.74 7.45 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 22 S 7.62 4.50 0.00 3.76 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 23 F 7.98 4.72 0.00 2.42 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.58 3.84 0.00 1.71 1.50 0.88 0.93 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 25 P 0.00 4.09 0.00 1.45 1.85 0.00 2.20 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.78 0.00 26 Y 7.81 4.19 0.00 3.36 3.28 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 27 L 7.81 3.71 0.00 1.88 1.66 1.01 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.05 3.89 0.00 1.55 1.67 0.84 0.42 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 29 T 7.27 3.87 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 1.21 0.00 0.00 30 R 7.45 3.92 0.00 1.57 1.84 0.00 3.24 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.22 0.00 31 I 7.65 3.87 1.85 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 1.51 0.78 0.94 0.00 0.00 32 T 7.81 4.05 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 33 H 8.79 4.24 0.00 3.24 3.36 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.57 3.71 2.17 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 1.43 1.03 0.99 0.00 0.00 35 W 8.47 4.16 0.00 3.49 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 36 S 8.48 4.14 0.00 4.06 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.76 4.11 0.00 3.95 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 38 E 7.99 4.11 0.00 2.08 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 2.33 2.43 0.00 39 L 7.24 3.56 0.00 0.72 1.10 -0.13 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 40 N 7.70 4.45 0.00 2.78 2.79 0.00 0.00 6.63 7.23 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 41 Q 7.39 4.37 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 42 A 7.14 4.38 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.12 3.99 0.00 1.86 1.63 0.73 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.59 3.99 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 45 S 7.96 4.16 0.00 3.82 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 46 E 8.24 4.00 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 47 K 7.41 4.25 0.00 1.93 2.12 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.35 1.34 7.81 48 L 6.91 4.44 0.00 1.64 1.59 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.35 0.00 2.17 1.96 0.00 3.67 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 50 T 8.51 3.87 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 51 P 0.00 4.16 0.00 2.14 2.05 0.00 3.47 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 52 K 7.89 4.08 0.00 1.78 1.86 0.00 1.65 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.49 7.81 53 L 8.32 3.98 0.00 1.69 1.83 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.55 3.95 0.00 1.94 1.98 0.00 3.52 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.87 0.00 55 L 7.58 4.01 0.00 1.77 1.71 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.63 3.99 0.00 1.74 1.72 0.92 0.73 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 57 S 8.10 4.13 0.00 4.07 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.07 4.20 0.00 3.91 3.81 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 59 L 7.87 4.23 0.00 1.89 1.74 0.97 0.60 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 60 S 8.47 4.11 0.00 3.86 4.17 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 61 A 7.66 4.25 1.50 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 0.00 0.00 62 Y 8.77 4.32 0.00 2.95 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 63 G 8.94 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.24 4.80 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 2.18 2.43 0.00 65 L 8.50 5.19 0.00 1.62 1.46 0.90 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 66 T 9.11 4.42 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 67 V 8.46 3.72 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 0.93 0.00 0.00 0.92 0.00 0.00 68 G 8.01 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 69 Q 8.01 3.97 0.00 2.28 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 70 L 8.16 3.90 0.00 1.80 1.69 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.77 4.15 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 72 T 7.56 4.01 4.33 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 1.15 0.00 0.00 73 L 7.99 3.81 0.00 1.47 1.58 0.18 0.45 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 74 G 8.19 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 75 V 7.54 3.04 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 0.71 0.00 0.00 0.91 0.00 0.00 *77 E 7.52 4.12 0.00 2.09 1.83 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 2.27 2.40 0.00 78 Q 8.43 3.98 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 79 S 7.95 4.10 0.00 4.04 4.11 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 80 T 7.93 3.83 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 1.21 0.00 0.00 81 T 8.00 3.77 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 82 S 8.33 4.09 0.00 3.90 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 83 R 8.04 3.89 0.00 2.06 1.95 0.00 3.18 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 84 T 8.36 3.96 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 85 V 8.09 3.66 2.24 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 1.03 0.00 0.00 0.95 0.00 0.00 86 D 8.28 4.45 0.00 2.74 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 87 Q 8.12 4.05 0.00 2.33 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 88 L 8.15 3.62 0.00 1.64 1.75 0.97 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 89 V 7.69 4.55 2.22 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 1.25 0.00 0.00 0.97 0.00 0.00 90 D 8.14 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 91 E 8.76 4.32 0.00 1.89 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 2.33 2.46 0.00 92 G 8.19 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 93 L 8.78 4.52 0.00 1.65 1.71 0.92 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.78 4.90 1.23 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 0.00 0.00 95 A 8.82 5.03 1.21 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 0.00 0.00 96 R 8.45 5.01 0.00 1.70 1.85 0.00 3.37 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 97 S 8.61 4.11 0.00 3.84 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 98 I 8.80 4.40 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 1.27 0.45 0.91 0.00 0.00 *102 D 8.98 4.75 0.00 2.72 1.64 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 0.00 103 Q 8.77 4.84 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.17 7.13 0.00 0.00 0.00 0.00 0.00 2.18 1.88 0.00 104 R 8.18 4.56 0.00 1.70 1.81 0.00 3.31 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 105 K 7.86 4.59 0.00 1.83 1.76 0.00 1.63 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.33 7.81 106 R 8.40 4.43 0.00 1.83 2.02 0.00 3.02 0.00 0.00 3.27 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 107 T 8.20 4.66 4.34 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 1.21 0.00 0.00 108 V 9.06 4.96 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 1.04 0.00 0.00 0.93 0.00 0.00 109 V 8.71 4.89 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 0.75 0.00 0.00 0.96 0.00 0.00 110 L 8.50 4.71 0.00 1.65 1.56 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.27 4.50 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 0.00 112 R 8.61 3.93 0.00 1.87 2.03 0.00 3.14 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 113 K 8.19 3.97 0.00 1.89 1.87 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.58 7.81 114 G 7.60 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 0.00 115 K 8.11 3.82 0.00 2.00 1.89 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.47 7.81 116 K 7.88 3.84 0.00 1.77 1.97 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.46 7.81 117 K 7.91 3.83 0.00 2.04 1.96 0.00 1.59 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.54 7.81 118 L 7.91 3.97 0.00 2.03 1.72 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.20 4.15 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 0.00 120 E 7.95 4.08 0.00 2.18 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 2.34 2.50 0.00 121 I 7.65 3.98 1.86 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 1.54 1.59 0.97 0.00 0.00 122 S 8.39 4.10 0.00 4.06 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 0.00 123 P 0.00 4.30 0.00 2.21 2.19 0.00 3.71 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 124 L 8.48 4.09 0.00 1.72 1.63 1.08 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 125 I 7.83 3.68 2.07 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 1.84 0.77 1.21 0.00 0.00 126 N 8.26 4.43 0.00 2.87 2.99 0.00 0.00 7.14 8.15 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 0.00 127 D 8.10 4.44 0.00 3.00 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 0.00 128 F 8.63 3.99 0.00 3.24 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 0.00 129 H 9.04 4.44 0.00 3.41 3.67 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.44 3.97 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 0.00 131 E 7.82 3.91 0.00 1.95 1.93 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 2.40 2.23 0.00 132 L 8.53 3.82 0.00 2.01 1.96 1.06 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 133 V 8.68 3.67 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 0.92 0.00 0.00 0.87 0.00 0.00 134 G 8.08 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 N 8.65 4.80 0.00 2.71 2.83 0.00 0.00 6.68 7.68 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 0.00 136 V 7.26 3.65 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 0.71 0.00 0.00 1.05 0.00 0.00 137 D 8.68 4.34 0.00 2.79 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.22 0.00 2.21 2.10 0.00 3.64 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 2.12 2.13 0.00 139 D 8.29 4.62 0.00 2.70 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 0.00 140 K 7.38 3.96 0.00 1.91 1.84 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.74 7.81 141 L 7.97 4.15 0.00 1.83 1.82 0.91 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 142 Q 7.92 4.01 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.56 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 143 T 7.36 3.82 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 144 C 8.15 4.05 0.00 3.07 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 0.00 145 I 7.50 3.94 1.84 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 1.55 0.77 0.92 0.00 0.00 146 E 8.17 3.99 0.00 2.18 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 2.32 2.58 0.00 147 V 8.01 3.53 2.24 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 1.02 0.00 0.00 1.01 0.00 0.00 148 L 8.30 4.24 0.00 1.69 1.68 0.87 0.88 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 0.00 149 G 7.77 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.57 3.96 0.00 2.04 2.20 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 2.30 2.35 0.00 151 I 8.34 3.71 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.79 0.89 0.00 0.00 152 L 7.62 4.18 0.00 1.62 1.68 0.90 0.67 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 0.00 153 K 7.77 4.24 0.00 2.00 1.84 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.58 7.81 154 G 7.85 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 K 8.27 4.56 0.00 1.89 1.77 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.46 7.81 156 T 7.10 3.61 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 1.24 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.