NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.8931 0.0000 0.0000 62.4915 33.8211 175.0038 2 L 4.8447 8.0178 119.7284 51.3169 44.4369 175.0491 3 R 4.6847 8.6629 121.3618 54.2705 33.4547 176.8280 4 L 4.0525 8.8480 119.5544 56.3119 42.4324 179.0908 5 G 4.2072 8.5408 109.4203 45.1975 0.0000 173.8607 *10 L 4.2142 8.5563 120.5034 55.4434 44.0502 174.9350 11 Q 4.8269 8.7811 123.9670 54.0920 30.7979 174.4723 12 Y 4.8037 8.8101 127.8014 55.7810 40.0289 175.2184 *13 W 4.5709 7.6227 129.0255 53.9511 31.7149 170.6720 14 P 4.1299 0.0000 0.0000 61.1771 31.7608 176.3043 15 F 4.3258 8.2097 118.4665 57.8711 39.6173 174.9558 16 S 4.7069 8.4205 118.2163 56.7568 64.7047 175.0945 17 S 3.7404 8.8211 119.4194 61.7202 62.3542 176.6706 18 S 4.0709 8.1589 117.1457 61.7496 62.3176 176.4451 19 D 3.6095 7.8752 122.1895 56.3853 40.4188 178.7439 20 L 3.7917 7.1129 118.8208 58.0928 41.6415 179.0601 21 Y 4.3555 7.6303 116.7253 61.0869 37.6193 178.4450 22 N 4.3163 8.0355 117.5112 56.2542 38.4277 177.4834 23 W 4.4970 7.7619 119.0498 59.7854 29.3297 178.1154 24 K 4.1565 8.4048 119.9575 59.5992 31.5858 178.1581 25 N 4.7015 8.6588 115.9184 54.6044 38.5730 175.3986 26 N 4.9939 7.7519 116.7421 52.8174 39.2592 173.5196 27 N 5.0705 8.0041 115.0672 50.8846 42.8772 172.0870 28 P 4.5379 0.0000 0.0000 61.8800 32.1970 176.1503 29 S 4.5182 8.2343 114.4333 57.8600 64.0559 175.1304 30 F 4.4942 8.8998 121.8776 61.6849 39.3671 176.5681 31 S 3.9861 8.7661 115.7328 62.1670 62.7020 175.7202 32 E 3.8619 7.3057 117.2281 58.8330 29.1088 178.7447 33 D 4.3760 8.1650 124.9727 51.4891 43.3626 173.5290 34 P 4.5358 0.0000 0.0000 66.0287 31.3568 178.6652 35 G 3.7917 8.3082 103.3740 47.5888 0.0000 175.6929 36 K 4.0124 7.6611 120.3976 59.5940 32.1416 179.3869 37 L 4.0718 7.9248 118.2993 57.3446 41.5865 179.5973 38 T 3.7658 8.0662 115.9864 66.5741 68.0910 176.7365 39 A 3.8653 7.7246 122.6934 54.8420 18.2438 179.5331 40 L 3.7197 7.5289 118.4782 58.5047 42.1747 179.3005 41 I 3.5429 7.7586 119.8907 64.1186 37.0933 178.0932 42 E 3.8956 8.8044 120.8612 59.1986 29.3290 178.9077 43 S 4.1387 7.5473 112.7197 61.2396 62.6451 176.0101 44 V 3.8190 7.8746 121.6336 64.2197 30.9401 177.9298 45 L 4.0659 7.3123 118.1723 58.4158 41.8889 179.0327 46 T 4.0942 7.5693 114.8959 66.7641 68.4619 177.1546 47 T 3.9110 8.3463 111.2187 64.3797 69.0343 175.0439 48 H 4.5755 8.2236 116.6310 55.4364 30.0426 173.8796 49 Q 3.4860 7.8696 119.2516 56.5333 27.2442 171.4655 50 P 4.5579 0.0000 0.0000 61.9913 33.2268 177.8042 51 T 4.2068 8.4530 111.9527 61.1727 70.7154 174.9658 52 W 3.7491 8.7020 129.0621 60.7893 30.5810 177.4280 53 D 4.0809 8.3356 118.2690 57.4376 40.3620 178.0592 54 D 4.5836 8.2712 119.3623 57.8781 40.7955 178.9876 55 C 4.1519 7.8645 116.6234 62.8592 27.8977 175.8233 56 Q 3.7301 7.3758 119.4123 59.1300 27.8723 178.9403 57 Q 4.2686 8.1066 118.7063 59.0824 28.8693 178.9174 58 L 3.7393 8.4475 121.2070 58.2538 42.0558 179.1084 59 L 3.9314 8.3082 118.9856 57.8971 41.4545 179.6808 60 G 3.8210 8.7648 104.9892 47.5542 0.0000 174.7066 61 T 4.3989 7.1646 115.4909 65.3064 69.7491 176.0742 62 L 4.2655 7.6594 117.7610 55.8922 42.0490 176.9934 63 L 4.9123 7.6415 118.3726 52.0137 45.1382 177.0840 64 T 4.1901 8.4096 112.6382 61.5627 70.6912 175.6764 65 G 3.5175 8.8275 110.2323 48.4187 0.0000 175.1609 66 E 3.9864 8.3388 119.8875 59.9814 29.2824 179.3199 67 E 4.1050 8.3851 118.0049 59.3572 29.8264 178.8451 68 K 3.9164 8.9997 120.9111 60.0005 32.2143 178.5242 69 Q 4.0490 8.7667 122.1991 59.7552 28.9065 179.4720 70 R 4.0164 7.8962 122.0786 61.2868 29.3405 182.6477 71 V 3.7950 8.1963 119.0201 65.6734 31.5041 177.8149 72 L 3.9075 7.8744 118.0464 57.9925 41.6373 179.0722 73 L 3.9392 8.0164 122.1327 59.1987 41.8156 179.5719 74 E 3.9542 8.1886 116.6196 61.1251 29.7299 180.7164 75 A 4.0686 7.9969 121.1410 54.8584 18.2893 179.9163 76 R 3.6318 7.7534 117.0175 59.3567 29.9253 179.2100 77 K 3.8720 7.7602 116.7407 59.4757 32.1589 178.5090 78 A 4.1340 7.2864 118.2548 52.1963 18.6974 177.8990 79 V 3.5594 7.3427 120.6730 63.3260 32.1048 176.4631 80 R 4.3536 8.2561 124.2449 54.5211 31.1889 173.3968 *87 T 4.1857 8.1322 117.5816 61.3140 68.1222 173.2402 88 Q 4.4612 8.3661 124.2875 55.1876 30.7000 174.9208 89 L 4.1080 7.8496 117.7382 54.8013 41.8722 175.4573 90 P 4.2155 0.0000 0.0000 65.8558 31.0124 177.6641 91 N 4.2334 8.2916 114.9870 56.9865 38.5518 175.6220 92 E 4.2504 8.0104 116.9179 57.3349 30.2250 177.2904 93 V 4.1886 7.6452 116.9365 64.6048 31.9376 176.7186 94 D 4.6051 7.8039 116.9583 56.6029 40.9231 178.0479 95 A 4.2572 8.1366 120.4363 54.6670 18.5975 178.6120 96 A 4.6601 8.1380 117.5040 53.4976 20.8192 177.8728 97 F 4.9684 8.1428 118.2668 56.8734 40.6385 171.8066 98 P 4.5390 0.0000 0.0000 62.5002 32.3193 177.5362 99 L 4.4785 8.7789 122.9689 56.4676 42.1796 177.0383 100 E 4.5070 7.6280 115.1485 53.5988 31.6154 180.3953 101 R 2.0000 7.6829 123.8482 53.8761 29.4259 173.8650 102 P 4.1051 0.0000 0.0000 60.8156 32.9460 175.4303 103 D 4.3429 7.8067 116.3786 54.4879 39.6367 176.8286 104 W 4.4369 7.4136 120.1591 57.1773 29.7435 174.6271 105 D 4.8381 8.6166 121.2992 52.3938 42.0618 176.3515 106 Y 4.4170 8.4001 125.3004 59.2190 38.5201 177.0825 107 T 3.9651 7.3518 111.0084 64.2510 67.9042 174.8744 108 T 4.3375 7.5155 111.6993 61.1842 71.2565 174.2490 109 T 4.4473 8.2319 115.5497 65.5513 69.1822 176.4628 110 E 3.9151 8.2509 120.3878 59.6236 29.4195 179.4307 111 G 4.1338 8.3095 106.6798 47.4790 0.0000 175.6081 112 R 3.9429 7.3529 120.6871 59.0573 30.1401 179.0257 113 N 4.2519 7.8814 115.6016 56.5254 38.4048 177.2764 114 H 3.7884 7.6964 117.6550 58.5181 28.5487 177.9042 115 L 4.0390 7.7807 121.0053 57.5166 41.4406 179.4449 116 V 3.5665 7.9746 118.5591 66.1691 31.6197 177.8187 117 L 4.1620 7.9679 119.8345 58.3219 41.8139 178.2975 118 Y 4.2615 8.5284 119.9305 60.9901 38.7446 178.4115 119 R 4.1596 8.3185 118.8204 59.2178 30.2878 179.0396 120 Q 4.0329 8.2166 118.1143 58.8066 28.6956 178.8161 121 L 3.9593 8.0047 119.7409 57.5438 41.7485 178.7903 122 L 3.9035 8.2881 120.8686 58.5628 41.8228 179.0748 123 L 3.9830 8.2149 119.4538 57.8222 41.8877 178.7821 124 A 4.0979 7.9322 120.8923 55.4112 18.2184 179.0179 125 G 3.5527 8.8106 104.6577 47.2592 0.0000 176.0788 126 L 3.7982 7.9144 122.7204 57.0475 41.2557 179.7404 127 Q 4.2079 7.9390 118.0849 59.2205 28.6614 178.2701 128 N 4.2396 8.9269 117.7621 56.2454 38.3511 177.1161 129 A 4.2303 8.3936 118.7380 52.7812 18.2734 178.3310 130 G 3.5616 8.0328 112.0439 49.3917 0.0000 175.6382 131 R 4.0937 7.2512 123.1351 55.7849 29.3715 178.2118 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 P 0.00 4.89 0.00 1.74 1.96 0.00 3.17 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.43 0.00 2 L 8.02 4.84 0.00 1.58 1.46 0.84 -0.03 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 3 R 8.66 4.68 0.00 1.92 1.92 0.00 2.75 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.49 0.00 4 L 8.85 4.05 0.00 1.68 1.64 0.92 0.75 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 5 G 8.54 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 0.00 0.00 0.00 0.00 *10 L 8.56 4.21 0.00 1.81 1.85 0.96 0.71 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 11 Q 8.78 4.83 0.00 1.74 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.61 0.00 0.00 0.00 0.00 0.00 2.20 2.14 0.00 12 Y 8.81 4.80 0.00 2.50 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 *13 W 7.62 4.57 0.00 2.29 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 0.00 0.00 0.00 14 P 0.00 4.13 0.00 2.18 2.16 0.00 3.59 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 1.93 2.01 0.00 15 F 8.21 4.33 0.00 3.02 2.84 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 16 S 8.42 4.71 0.00 3.96 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 17 S 8.82 3.74 0.00 4.09 4.14 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 18 S 8.16 4.07 0.00 3.97 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 19 D 7.88 3.61 0.00 2.29 1.54 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 20 L 7.11 3.79 0.00 1.10 1.32 0.66 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.63 4.36 0.00 3.04 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 22 N 8.04 4.32 0.00 2.71 2.74 0.00 0.00 6.99 7.80 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 23 W 7.76 4.50 0.00 3.54 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 24 K 8.40 4.16 0.00 1.95 2.05 0.00 1.99 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.55 7.81 25 N 8.66 4.70 0.00 2.75 2.87 0.00 0.00 7.02 8.55 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 26 N 7.75 4.99 0.00 2.92 2.86 0.00 0.00 6.70 9.28 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 27 N 8.00 5.07 0.00 2.84 2.70 0.00 0.00 6.92 8.11 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 28 P 0.00 4.54 0.00 2.08 2.03 0.00 3.71 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 2.05 2.09 0.00 29 S 8.23 4.52 0.00 4.06 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 30 F 8.90 4.49 0.00 2.87 3.54 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 31 S 8.77 3.99 0.00 3.84 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 32 E 7.31 3.86 0.00 2.21 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 2.36 2.47 0.00 33 D 8.17 4.38 0.00 2.60 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 34 P 0.00 4.54 0.00 2.16 2.00 0.00 3.58 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.77 0.00 35 G 8.31 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 0.00 0.00 0.00 36 K 7.66 4.01 0.00 1.88 1.88 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.13 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.64 7.81 37 L 7.92 4.07 0.00 1.79 1.62 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 38 T 8.07 3.77 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 1.20 0.00 0.00 39 A 7.72 3.87 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 40 L 7.53 3.72 0.00 1.58 1.63 0.62 0.43 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 41 I 7.76 3.54 1.70 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.23 0.79 0.00 0.00 42 E 8.80 3.90 0.00 2.03 1.90 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 2.28 2.30 0.00 43 S 7.55 4.14 0.00 3.96 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 44 V 7.87 3.82 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.03 0.00 0.00 45 L 7.31 4.07 0.00 1.88 1.74 0.94 1.40 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 46 T 7.57 4.09 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 1.22 0.00 0.00 47 T 8.35 3.91 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 1.24 0.00 0.00 48 H 8.22 4.58 0.00 3.64 3.39 0.00 5.89 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.87 3.49 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 7.01 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 50 P 0.00 4.56 0.00 2.31 2.12 0.00 3.97 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 51 T 8.45 4.21 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 1.22 0.00 0.00 52 W 8.70 3.75 0.00 3.18 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 53 D 8.34 4.08 0.00 2.82 2.77 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 54 D 8.27 4.58 0.00 2.99 2.84 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 55 C 7.86 4.15 0.00 3.02 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 56 Q 7.38 3.73 0.00 1.92 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.74 0.00 0.00 0.00 0.00 0.00 1.16 1.55 0.00 57 Q 8.11 4.27 0.00 2.36 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 58 L 8.45 3.74 0.00 1.83 1.82 0.88 0.56 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 59 L 8.31 3.93 0.00 1.79 1.64 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.76 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 61 T 7.16 4.40 4.14 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 1.11 0.00 0.00 62 L 7.66 4.27 0.00 1.67 1.66 0.79 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.64 4.91 0.00 1.79 1.53 0.76 0.60 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 64 T 8.41 4.19 4.68 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 1.33 0.00 0.00 65 G 8.83 3.52 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 0.00 0.00 0.00 66 E 8.34 3.99 0.00 2.10 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 2.42 2.50 0.00 67 E 8.39 4.10 0.00 2.21 2.37 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 2.43 2.39 0.00 68 K 9.00 3.92 0.00 1.94 1.95 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.45 7.81 69 Q 8.77 4.05 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 70 R 7.90 4.02 0.00 1.81 1.92 0.00 3.32 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 71 V 8.20 3.80 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 1.00 0.00 0.00 0.93 0.00 0.00 72 L 7.87 3.91 0.00 1.94 1.87 1.02 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.02 3.94 0.00 2.02 1.65 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.19 3.95 0.00 2.09 1.86 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 2.26 2.21 0.00 75 A 8.00 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.75 3.63 0.00 1.89 1.96 0.00 3.32 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.74 0.00 77 K 7.76 3.87 0.00 1.85 1.85 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.65 7.81 78 A 7.29 4.13 1.24 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 79 V 7.34 3.56 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 0.80 0.00 0.00 1.06 0.00 0.00 80 R 8.26 4.35 0.00 1.82 1.68 0.00 3.35 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 *87 T 8.13 4.19 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 1.24 0.00 0.00 88 Q 8.37 4.46 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.78 0.00 0.00 0.00 0.00 0.00 2.23 2.41 0.00 89 L 7.85 4.11 0.00 1.77 1.63 1.02 1.08 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 90 P 0.00 4.22 0.00 2.17 2.14 0.00 3.64 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 91 N 8.29 4.23 0.00 2.84 2.86 0.00 0.00 6.75 7.65 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 92 E 8.01 4.25 0.00 2.06 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 0.00 2.36 2.35 0.00 93 V 7.65 4.19 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 1.07 0.00 0.00 1.04 0.00 0.00 94 D 7.80 4.61 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 95 A 8.14 4.26 1.42 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 0.00 0.00 96 A 8.14 4.66 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.14 4.97 0.00 3.10 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 98 P 0.00 4.54 0.00 2.12 1.97 0.00 3.88 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.60 0.00 99 L 8.78 4.48 0.00 1.76 1.93 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 100 E 7.63 4.51 0.00 1.96 1.71 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 2.14 1.83 0.00 101 R 7.68 2.00 0.00 1.48 1.60 0.00 3.17 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.25 0.00 102 P 0.00 4.11 0.00 0.74 0.93 0.00 2.36 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 103 D 7.81 4.34 0.00 2.76 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 0.00 104 W 7.41 4.44 0.00 3.37 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 0.00 105 D 8.62 4.84 0.00 2.61 2.47 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 0.00 106 Y 8.40 4.42 0.00 3.11 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 0.00 107 T 7.35 3.97 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 0.73 0.00 0.00 108 T 7.52 4.34 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 1.21 0.00 0.00 109 T 8.23 4.45 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 1.17 0.00 0.00 110 E 8.25 3.92 0.00 1.99 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 2.39 2.39 0.00 111 G 8.31 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 0.00 112 R 7.35 3.94 0.00 1.93 2.00 0.00 3.16 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.94 0.00 113 N 7.88 4.25 0.00 2.69 2.72 0.00 0.00 7.08 8.84 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 0.00 114 H 7.70 3.79 0.00 2.05 1.31 0.00 5.62 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 0.00 115 L 7.78 4.04 0.00 1.88 1.77 1.05 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 116 V 7.97 3.57 2.19 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 1.00 0.00 0.00 1.02 0.00 0.00 117 L 7.97 4.16 0.00 1.81 1.79 1.04 0.73 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 0.00 118 Y 8.53 4.26 0.00 3.49 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 0.00 119 R 8.32 4.16 0.00 2.15 2.05 0.00 3.26 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.05 0.00 120 Q 8.22 4.03 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.71 0.00 121 L 8.00 3.96 0.00 2.06 1.60 1.09 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.29 3.90 0.00 1.96 1.86 0.98 0.47 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 0.00 123 L 8.21 3.98 0.00 1.79 1.89 0.96 0.83 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 0.00 124 A 7.93 4.10 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 G 8.81 3.55 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 0.00 0.00 0.00 126 L 7.91 3.80 0.00 1.58 1.67 0.70 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 7.94 4.21 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 128 N 8.93 4.24 0.00 2.93 2.82 0.00 0.00 6.93 7.92 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 0.00 129 A 8.39 4.23 1.37 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 0.00 0.00 130 G 8.03 3.56 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 0.00 131 R 7.25 4.09 0.00 2.04 1.71 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.44 0.00 * Residues marked with a * may have inaccurate shift predictions.