NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.1200 8.0932 114.8166 57.8084 64.5516 174.2527 2 L 3.8246 8.1746 120.0206 57.1593 41.0165 179.3459 3 F 4.1555 8.4952 119.2557 60.6486 38.8300 177.1635 4 E 4.1203 8.1832 117.6879 59.2162 29.1995 178.9580 5 L 4.1280 8.2698 120.5843 58.2637 42.1441 179.2468 6 G 3.6586 8.4748 106.0381 47.6835 0.0000 175.5281 7 K 3.9876 8.2161 121.9688 59.4998 32.1825 178.8033 8 M 4.0565 8.4745 119.3780 58.5124 31.7957 178.7498 9 I 3.5883 8.0334 120.2089 64.2270 37.1970 178.1515 10 L 4.2071 8.1105 122.7112 57.7423 41.6900 179.0348 11 Q 3.6449 8.0330 116.9329 58.8983 28.6397 178.5415 12 E 4.2850 8.2677 118.4732 59.6503 29.7260 178.8307 13 T 4.3239 8.1792 114.0363 63.2737 69.1758 176.3853 14 G 3.9358 8.3056 107.6796 45.2885 0.0000 173.1087 15 K 4.4369 7.4421 118.7488 53.8801 34.4711 174.7084 16 N 4.4260 8.6818 120.2094 53.6634 39.3507 173.8509 17 P 4.4675 0.0000 0.0000 65.8719 31.8434 177.9188 18 A 4.1786 7.9808 120.1067 54.7577 18.1921 179.3890 19 K 3.9371 7.9072 116.1870 59.9792 32.9032 178.7500 20 S 4.5875 8.1549 116.9343 60.3527 61.8856 175.5491 *22 Y 5.2669 7.0813 116.3417 57.4648 39.6156 176.8545 23 G 3.8113 8.3210 110.4430 48.0239 0.0000 173.6656 24 A 4.9801 7.4575 119.3167 51.2949 20.7742 172.9449 25 Y 4.8960 8.8390 121.6286 56.5924 42.3864 176.3517 26 G 3.4442 8.2115 116.0994 46.8875 0.0000 172.6712 27 C 4.6531 8.9032 115.4177 57.8302 40.9710 173.8872 28 N 4.6641 8.5952 115.1110 53.1516 40.7989 173.8529 29 C 4.6093 8.1877 116.6784 57.6298 41.2628 170.3625 30 G 4.3511 8.7302 111.4340 44.7143 0.0000 173.7939 31 V 3.8026 8.3850 117.3436 62.1254 32.8899 177.8088 32 L 3.5116 8.2623 120.7282 55.7719 40.2923 173.0290 33 G 4.0371 8.4278 113.7187 46.5902 0.0000 172.4087 34 R 4.6741 8.2317 121.7496 55.5032 32.5362 175.3925 35 G 4.2159 9.0821 106.6225 44.8410 0.0000 173.0821 36 K 4.0729 8.6829 122.2692 56.0846 32.3436 175.0912 37 P 4.5325 0.0000 0.0000 62.5068 31.9765 176.7003 38 K 3.7865 8.9869 121.8548 58.7487 32.4260 176.3665 39 D 4.4372 7.0943 115.4348 51.6069 41.7728 175.1737 40 A 3.9145 8.7038 119.6779 55.9809 17.9623 179.7478 41 T 3.7819 7.9683 113.7750 67.0565 68.5053 176.0356 42 D 4.4257 8.9170 120.0935 57.4023 41.2058 178.2100 43 R 3.8149 8.1785 119.4400 59.3895 30.0004 177.6875 44 C 4.2094 8.1965 116.5142 60.4887 41.3289 175.6243 45 C 4.1914 7.8715 117.4914 59.7293 40.9337 175.3724 46 Y 4.0548 8.1749 121.4937 60.9290 38.3603 178.5670 47 V 3.6815 8.4462 119.4408 66.1574 31.5383 177.4383 48 H 4.0069 8.1988 118.0087 59.2340 29.4950 177.4955 49 K 3.6504 7.7832 119.0681 59.4293 32.2046 178.4014 50 C 4.3255 8.1374 116.9779 60.0230 39.8466 175.2705 51 C 4.2121 8.1678 119.5851 59.9948 39.5909 174.9867 52 Y 4.2664 8.1587 118.2991 61.0580 37.3741 178.8170 53 K 3.9555 7.9582 119.4679 58.8132 31.9016 178.6459 *57 K 4.9337 7.6990 114.9798 56.0534 34.3278 175.7258 58 L 4.2088 7.6540 121.2311 55.0188 42.2310 175.7855 59 T 4.3668 8.6645 111.9675 63.2494 70.4350 175.4260 60 G 4.0840 7.9410 108.9455 44.3744 0.0000 171.7224 61 C 4.6411 7.5519 112.4107 53.9792 45.2995 172.4246 *67 N 5.0439 8.3849 117.8641 52.9498 39.2986 173.2748 68 P 3.9820 0.0000 0.0000 65.2891 31.9187 178.8253 69 K 4.0313 8.4317 119.5117 58.4860 32.4042 178.4310 70 K 4.2845 8.0830 116.0624 57.6284 33.4585 176.7625 71 D 4.5328 8.1195 119.2794 54.0937 41.1396 176.4984 72 R 4.5061 8.6667 122.7389 55.2980 31.1292 174.8818 73 Y 4.9599 7.3983 116.1566 55.9836 41.3308 174.0560 74 S 5.0771 9.0015 116.6730 57.3909 64.5127 173.4859 75 Y 5.3610 8.2580 120.7752 56.0725 41.3079 173.5370 76 S 4.6909 9.4052 113.5997 56.3647 67.2256 172.8674 77 W 5.4433 8.9005 130.9600 56.0563 31.7075 175.3108 78 K 4.3571 8.7726 127.8319 55.5999 34.3348 176.3696 79 D 4.3844 9.3799 124.7130 55.8805 39.6025 172.7717 80 K 2.0000 7.0620 109.5487 56.8195 30.2253 175.6525 81 T 4.3898 6.6496 105.8534 59.5061 71.9320 172.6752 82 I 4.7768 8.3290 124.1776 61.1366 38.2356 175.3783 83 V 4.3848 9.2439 127.8006 61.0442 33.7172 174.0137 84 C 4.7177 8.9012 126.3579 57.0242 40.7226 173.7037 *86 G 3.8599 8.5141 109.5738 46.0753 0.0000 172.5880 87 E 4.0145 9.2987 121.0117 59.0857 29.5341 178.3691 88 N 3.7534 8.0888 111.2933 53.6256 38.0422 173.4749 89 N 4.7401 8.0811 116.3930 52.0003 39.9186 175.9474 90 S 4.0824 8.5375 115.8094 62.0946 62.7711 177.6084 91 C 4.2086 8.1310 120.0880 59.8127 40.7025 175.4351 92 L 3.8798 8.5176 120.8818 57.3801 41.0904 179.3051 93 K 3.7605 8.6316 119.9744 59.7886 32.1726 178.7630 94 E 3.9130 8.3346 118.8333 58.9832 29.1955 179.1713 95 L 3.8230 8.1575 120.9400 58.3177 42.2062 177.9629 96 C 3.2663 7.8729 118.6846 59.7525 43.9363 175.5686 97 E 3.9268 8.1588 119.9243 59.2203 29.0163 178.5223 98 C 4.2865 8.5492 117.1825 60.2384 40.4419 175.9782 99 D 4.3484 8.4286 120.5399 57.1507 40.3821 178.5572 100 K 3.7828 8.4405 120.3557 59.5852 32.0734 178.5823 101 A 3.9665 8.1978 121.2850 55.1539 18.3022 180.0327 102 V 3.4493 7.8531 117.5328 64.6661 31.4959 178.5217 103 A 3.8026 7.9530 121.4237 54.8870 18.1340 179.6586 104 I 3.7832 7.8754 118.4186 64.6520 37.2970 177.8790 105 C 4.3794 8.3518 119.4876 59.6452 43.2594 175.4176 106 L 3.7815 8.0183 119.6295 57.8143 41.5265 179.2147 107 R 4.0315 7.9794 118.3965 59.6031 29.8353 178.4390 108 E 4.0895 8.3786 117.3292 58.5592 29.5921 178.1175 109 N 5.0637 7.6607 114.6229 53.1239 39.0830 176.6124 110 L 4.1572 7.9074 124.3623 57.8167 41.4048 179.0537 111 N 4.4803 8.3205 115.2509 55.0728 37.3341 175.4882 112 T 4.5789 7.7345 106.9088 60.9882 69.7185 173.4275 113 Y 4.0490 8.0110 124.5886 58.2587 39.2912 174.5980 114 N 5.1103 8.8566 124.7898 51.4441 41.0412 174.9443 115 K 4.0159 8.9425 126.4431 59.0161 32.3952 179.3241 116 K 3.9408 8.2776 117.7437 59.3490 32.6378 177.4278 117 Y 4.4366 7.5379 116.4862 58.1192 38.2414 175.1886 118 R 3.9569 7.3022 121.7106 57.3119 30.2453 175.4867 119 Y 3.7844 8.7328 124.0706 59.0760 35.5863 169.3006 120 Y 4.0848 8.0809 119.4755 57.6759 39.5624 176.3386 121 L 4.1554 7.2543 125.8120 54.0560 40.4384 177.6769 122 K 4.1482 8.5132 124.3714 58.7354 32.4590 177.8283 123 P 4.1964 0.0000 0.0000 65.5374 31.2219 176.8833 124 L 4.3788 7.8651 115.3091 55.1713 41.5961 176.2922 125 C 4.5612 8.2700 118.4598 56.9900 42.2061 173.1253 *128 K 4.3551 8.4179 120.6436 55.7601 33.6613 175.0740 129 K 4.2371 8.7130 123.1455 56.7020 32.5906 176.5753 130 A 4.3363 8.5632 129.2434 51.9931 19.0844 177.0889 131 D 4.6143 7.9683 120.4982 53.4641 41.6401 176.6040 132 A 4.0984 8.3351 123.5416 52.4139 18.9486 178.5834 133 C 4.4489 8.7219 117.4091 57.4776 41.2296 173.9713 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 S 8.09 5.12 0.00 4.28 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 8.17 3.82 0.00 1.40 1.57 0.86 0.98 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 3 F 8.50 4.16 0.00 3.12 3.07 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 4 E 8.18 4.12 0.00 1.85 1.88 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 1.69 2.34 0.00 5 L 8.27 4.13 0.00 2.08 1.87 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 6 G 8.47 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.22 3.99 0.00 2.09 2.14 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.49 7.81 8 M 8.47 4.06 0.00 1.98 2.17 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.07 0.00 9 I 8.03 3.59 1.98 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.75 0.83 0.00 0.00 10 L 8.11 4.21 0.00 1.80 1.82 0.94 0.64 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 11 Q 8.03 3.64 0.00 2.07 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.74 0.00 0.00 0.00 0.00 0.00 1.56 2.24 0.00 12 E 8.27 4.29 0.00 2.01 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 2.59 2.54 0.00 13 T 8.18 4.32 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 14 G 8.31 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 15 K 7.44 4.44 0.00 1.83 1.59 0.00 1.53 0.00 0.00 1.66 0.00 0.00 2.80 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.55 1.10 7.81 16 N 8.68 4.43 0.00 2.78 2.73 0.00 0.00 6.85 7.71 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 17 P 0.00 4.47 0.00 2.33 2.25 0.00 3.86 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.30 0.00 18 A 7.98 4.18 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 3.94 0.00 1.80 1.98 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.62 7.81 20 S 8.15 4.59 0.00 3.47 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *22 Y 7.08 5.27 0.00 3.29 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 23 G 8.32 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 0.00 0.00 0.00 24 A 7.46 4.98 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.84 4.90 0.00 3.11 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 26 G 8.21 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 C 8.90 4.65 0.00 3.10 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 28 N 8.60 4.66 0.00 3.04 2.83 0.00 0.00 6.97 8.13 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 29 C 8.19 4.61 0.00 3.50 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.73 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 0.00 0.00 0.00 0.00 31 V 8.38 3.80 2.12 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 0.78 0.00 0.00 0.98 0.00 0.00 32 L 8.26 3.51 0.00 1.82 1.63 0.94 0.89 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 33 G 8.43 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.23 4.67 0.00 1.55 1.78 0.00 2.21 0.00 0.00 2.82 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.44 0.00 35 G 9.08 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 0.00 0.00 0.00 36 K 8.68 4.07 0.00 1.78 1.74 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.65 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.37 7.81 37 P 0.00 4.53 0.00 1.88 1.80 0.00 3.43 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 38 K 8.99 3.79 0.00 0.79 0.74 0.00 1.33 0.00 0.00 0.98 0.00 0.00 2.52 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.89 0.21 7.81 39 D 7.09 4.44 0.00 2.91 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 40 A 8.70 3.91 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 41 T 7.97 3.78 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 42 D 8.92 4.43 0.00 2.90 2.79 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 43 R 8.18 3.81 0.00 1.87 1.97 0.00 3.02 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.37 0.00 44 C 8.20 4.21 0.00 3.12 3.04 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 0.00 0.00 0.00 45 C 7.87 4.19 0.00 3.18 3.30 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 0.00 46 Y 8.17 4.05 0.00 3.06 3.04 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 0.00 0.00 0.00 47 V 8.45 3.68 2.26 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 1.00 0.00 0.00 1.08 0.00 0.00 48 H 8.20 4.01 0.00 3.20 3.34 0.00 5.64 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 49 K 7.78 3.65 0.00 1.78 1.71 0.00 1.82 0.00 0.00 1.65 0.00 0.00 3.12 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.31 7.81 50 C 8.14 4.33 0.00 3.08 3.07 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 51 C 8.17 4.21 0.00 3.05 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 52 Y 8.16 4.27 0.00 3.11 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 53 K 7.96 3.96 0.00 2.00 1.86 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.64 7.81 *57 K 7.70 4.93 0.00 1.88 1.97 0.00 1.18 0.00 0.00 2.37 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.62 1.43 7.81 58 L 7.65 4.21 0.00 1.84 1.57 0.93 0.59 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 59 T 8.66 4.37 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 60 G 7.94 4.08 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 0.00 0.00 0.00 61 C 7.55 4.64 0.00 3.32 3.13 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 *67 N 8.38 5.04 0.00 2.75 2.79 0.00 0.00 7.69 7.71 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 68 P 0.00 3.98 0.00 1.66 0.49 0.00 3.51 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 1.74 1.53 0.00 69 K 8.43 4.03 0.00 1.83 1.93 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.39 7.81 70 K 8.08 4.28 0.00 1.79 1.86 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.59 7.81 71 D 8.12 4.53 0.00 2.88 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 72 R 8.67 4.51 0.00 1.80 1.93 0.00 3.47 0.00 0.00 3.52 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.49 0.00 73 Y 7.40 4.96 0.00 3.24 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 74 S 9.00 5.08 0.00 3.89 3.88 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 75 Y 8.26 5.36 0.00 3.22 3.11 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 76 S 9.41 4.69 0.00 3.91 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 77 W 8.90 5.44 0.00 3.36 3.04 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 0.00 0.00 0.00 78 K 8.77 4.36 0.00 1.74 1.61 0.00 1.89 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.37 7.81 79 D 9.38 4.38 0.00 2.62 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 80 K 7.06 2.00 0.00 1.61 1.53 0.00 1.88 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.25 7.81 81 T 6.65 4.39 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 82 I 8.33 4.78 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.96 0.77 0.00 0.00 83 V 9.24 4.38 2.17 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 1.11 0.00 0.00 0.94 0.00 0.00 84 C 8.90 4.72 0.00 3.05 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 *86 G 8.51 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 E 9.30 4.01 0.00 1.97 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 2.34 2.46 0.00 88 N 8.09 3.75 0.00 2.80 2.81 0.00 0.00 6.92 8.00 0.00 0.00 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 N 8.08 4.74 0.00 2.99 2.98 0.00 0.00 5.92 7.64 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 90 S 8.54 4.08 0.00 3.87 3.96 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 0.00 0.00 0.00 91 C 8.13 4.21 0.00 2.97 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 92 L 8.52 3.88 0.00 1.73 1.76 1.04 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.63 3.76 0.00 1.89 1.94 0.00 1.47 0.00 0.00 1.79 0.00 0.00 3.21 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.50 7.81 94 E 8.33 3.91 0.00 1.97 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 2.45 2.44 0.00 95 L 8.16 3.82 0.00 1.67 1.61 0.72 0.79 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 96 C 7.87 3.27 0.00 2.03 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 97 E 8.16 3.93 0.00 2.12 1.95 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 2.45 2.45 0.00 98 C 8.55 4.29 0.00 3.33 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 99 D 8.43 4.35 0.00 2.90 2.80 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 0.00 100 K 8.44 3.78 0.00 1.75 1.93 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.45 7.81 101 A 8.20 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 0.00 102 V 7.85 3.45 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 0.55 0.00 0.00 0.75 0.00 0.00 103 A 7.95 3.80 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.88 3.78 1.99 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 1.42 0.81 0.91 0.00 0.00 105 C 8.35 4.38 0.00 3.05 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 0.00 106 L 8.02 3.78 0.00 1.55 1.27 0.66 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 107 R 7.98 4.03 0.00 1.95 2.08 0.00 3.12 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 1.64 1.85 0.00 108 E 8.38 4.09 0.00 2.12 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 2.34 2.52 0.00 109 N 7.66 5.06 0.00 2.85 2.82 0.00 0.00 6.88 6.42 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 0.00 110 L 7.91 4.16 0.00 1.85 1.74 0.96 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.32 4.48 0.00 2.86 2.99 0.00 0.00 5.81 7.71 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 0.00 112 T 7.73 4.58 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 113 Y 8.01 4.05 0.00 3.12 2.96 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 0.00 0.00 0.00 114 N 8.86 5.11 0.00 2.70 2.50 0.00 0.00 6.89 6.28 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 0.00 115 K 8.94 4.02 0.00 1.90 1.92 0.00 1.79 0.00 0.00 1.94 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.75 1.65 7.81 116 K 8.28 3.94 0.00 1.65 1.79 0.00 1.28 0.00 0.00 1.42 0.00 0.00 2.46 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.79 0.43 7.81 117 Y 7.54 4.44 0.00 1.89 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 0.00 118 R 7.30 3.96 0.00 1.70 1.60 0.00 3.22 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.37 0.00 119 Y 8.73 3.78 0.00 3.22 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 0.00 120 Y 8.08 4.08 0.00 3.03 3.04 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 0.00 0.00 0.00 121 L 7.25 4.16 0.00 1.39 1.39 0.83 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 122 K 8.51 4.15 0.00 1.87 1.93 0.00 1.76 0.00 0.00 1.89 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.82 1.80 7.81 123 P 0.00 4.20 0.00 2.01 2.13 0.00 3.62 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 2.02 2.13 0.00 124 L 7.87 4.38 0.00 1.67 1.69 0.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 125 C 8.27 4.56 0.00 3.07 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 *128 K 8.42 4.36 0.00 1.72 1.79 0.00 1.99 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.25 7.81 129 K 8.71 4.24 0.00 1.78 1.74 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.48 7.81 130 A 8.56 4.34 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 D 7.97 4.61 0.00 2.97 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 A 8.34 4.10 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 C 8.72 4.45 0.00 2.94 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 * Residues marked with a * may have inaccurate shift predictions.