NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2334 8.1727 122.0556 56.2810 34.0735 173.7632 2 V 4.6825 8.2061 126.9182 60.7456 32.8906 174.4571 3 F 4.4445 9.6935 128.1010 57.1013 40.2862 175.4263 4 G 3.7826 9.0050 109.2897 46.0051 0.0000 174.7592 5 R 3.3144 8.8050 122.7455 59.5417 30.1284 179.7546 6 C 4.3322 8.1034 115.2006 59.1629 38.8384 175.5686 7 E 3.9054 8.0498 120.9982 59.2365 29.3012 178.4006 8 L 3.4906 8.2075 120.4912 57.8857 42.0256 178.5616 9 A 3.9112 8.1661 120.8503 55.2807 18.2229 179.5350 10 A 3.9039 8.3097 119.1023 55.0002 18.4078 179.6914 11 A 3.9267 7.9789 119.3781 55.6446 18.5505 179.8627 12 M 3.8072 8.1512 117.4508 58.2579 32.0243 178.8038 13 K 3.8319 8.1149 119.8999 59.6404 32.1259 178.6913 14 R 3.9091 7.9534 117.7689 59.2700 29.9003 177.0081 15 H 4.6707 7.7288 114.2152 55.3388 29.0293 175.9214 16 G 3.8449 7.7860 107.7825 46.0465 0.0000 175.2869 17 L 3.6533 7.4282 120.5119 55.8142 41.9223 176.4511 18 D 4.6973 7.9741 118.5350 55.3017 41.2487 175.0175 19 N 4.3773 9.3727 123.4533 54.2962 37.0352 173.2309 20 Y 4.0885 8.3648 120.5886 58.6684 38.9982 175.9493 21 R 3.5558 8.9607 125.3485 57.2634 27.7840 176.9139 22 G 3.7027 8.3299 103.5636 46.0743 0.0000 173.6802 23 Y 4.5045 7.7832 118.3689 55.6260 38.5874 175.9566 24 S 5.0056 8.5273 119.3371 57.2382 64.1877 174.7865 25 L 4.2902 9.1653 123.5889 58.8468 41.6109 179.6830 26 G 3.9194 8.3893 104.8337 48.0188 0.0000 175.0935 27 N 4.5334 8.5755 118.6751 56.0947 38.5601 177.5867 28 W 3.9208 8.0397 119.7357 59.6808 29.2602 178.7114 29 V 3.6460 8.1310 118.3372 66.0189 30.9655 177.2105 30 C 2.9680 8.1713 118.0358 59.1355 42.9500 175.3706 31 A 3.9777 8.1175 122.1974 55.2769 17.9672 179.5323 32 A 4.0870 7.9860 120.5869 54.3610 18.3795 179.7766 33 K 2.5035 7.7833 118.2217 59.1741 31.9637 178.6544 34 F 4.3570 7.4058 114.8031 58.6179 39.1669 177.4658 35 E 4.3266 8.2579 118.9120 58.2463 29.9814 177.3295 36 S 4.4998 7.7890 109.8501 56.3814 64.8261 172.9517 37 N 3.9433 8.4580 118.9488 54.9841 37.5301 173.8699 38 F 4.0584 7.6550 111.1291 58.2949 37.5003 174.5143 39 N 5.2529 7.9258 120.5750 52.3951 39.0981 176.1073 40 T 4.0520 9.0895 117.7406 64.2968 68.9914 175.6135 41 Q 4.4498 8.2812 118.9690 55.3967 29.3260 175.5246 42 A 4.2869 7.9166 122.0845 52.6470 19.3055 177.0238 43 T 4.9357 8.3915 111.3570 59.8233 72.3486 172.8345 44 N 4.8987 8.7223 121.7079 51.9052 42.4303 172.7710 45 R 4.5468 8.6301 126.5384 55.5380 31.3454 175.1283 46 N 5.0582 8.9677 124.1777 51.6744 40.7122 176.4951 47 T 3.8943 8.5647 111.4300 64.6545 69.0222 174.9408 48 D 4.4639 8.0395 119.1241 53.4186 39.3885 176.9573 49 G 3.8352 8.0963 107.8126 45.8718 0.0000 173.8189 50 S 4.6900 7.6981 114.7406 57.4159 65.6639 173.1564 51 T 4.9955 9.1543 116.1446 61.9224 72.8556 172.7726 52 D 5.3428 9.0595 124.9995 53.2011 43.1993 174.9983 53 Y 4.8384 9.5362 121.4099 57.4966 41.2576 176.8826 54 G 4.5902 9.4561 111.4304 46.2485 0.0000 173.6579 55 I 4.0399 8.2744 109.8331 62.6727 37.4353 177.2620 56 L 4.5374 7.9181 118.0791 53.4469 42.4338 176.3673 57 Q 3.4292 7.9286 116.3883 57.1204 26.8147 174.2280 58 I 4.2865 7.9030 118.6912 61.1755 39.3628 176.6340 59 N 5.5084 9.0685 124.8116 52.8394 39.9812 175.9015 60 S 4.5916 9.0184 120.5876 60.5278 63.3591 175.5451 61 R 3.6619 7.8220 121.5062 58.1331 30.3232 178.0217 62 W 4.2988 7.8149 116.7973 56.0973 31.6807 176.7124 63 W 4.9601 8.2522 117.4615 57.1871 31.1158 173.7317 64 C 5.3574 8.0784 112.3960 53.6019 44.1369 172.5160 65 N 4.9837 9.1035 120.1577 52.3413 39.7854 174.8933 66 D 4.6788 8.6204 123.9065 52.2938 40.1785 177.0176 67 G 3.9390 8.7056 107.1441 46.3988 0.0000 174.5710 68 R 4.5797 8.1174 114.0101 55.6815 29.9444 174.9883 69 T 4.6093 7.7407 115.1609 61.2023 70.2338 172.4309 70 P 4.2403 0.0000 0.0000 63.7058 31.8973 176.1926 71 G 3.8844 8.6398 109.4799 46.4937 0.0000 173.7429 72 S 4.3966 8.0216 113.3678 57.6298 64.0018 173.5094 73 R 4.5513 8.2804 122.3035 54.8851 32.4142 176.1012 74 N 5.0272 8.0431 117.0594 51.8749 38.7364 174.8801 75 L 4.0759 8.6475 121.5425 57.8578 42.3311 178.4786 76 C 4.5302 8.6886 114.1208 57.1392 40.7265 172.6481 77 N 4.3158 8.1080 117.5142 54.4193 37.2716 173.4003 78 I 4.7533 7.1581 106.5310 57.9160 41.5440 172.9447 79 P 4.7774 0.0000 0.0000 62.8054 32.0489 178.3093 80 C 4.1387 8.8364 119.5773 59.8034 41.0219 176.6521 81 S 3.8934 7.8559 115.3469 61.0730 62.3927 176.0868 82 A 4.0589 7.6351 122.9963 54.4044 18.0314 178.6408 83 L 4.3156 7.9162 116.3980 55.6848 41.6405 177.8249 84 L 4.9292 7.5744 118.6713 54.4174 41.8091 176.5590 85 S 4.6872 7.7073 113.5884 57.0607 64.4754 174.5245 86 S 4.2323 8.4554 116.6801 60.8877 62.8128 174.2750 87 D 4.6337 7.9937 120.4905 53.5032 41.2093 176.3012 88 I 4.0546 8.3670 120.1067 61.6737 38.0903 177.3628 89 T 3.6308 7.9979 118.4725 67.0723 68.3151 175.4742 90 A 3.9552 7.8975 121.4983 55.4020 18.4324 179.5923 91 S 4.0906 8.0058 113.1492 61.7615 62.9245 177.0764 92 V 3.3186 7.8110 120.9168 65.9854 31.3334 177.9227 93 N 4.2419 8.0555 116.2984 56.3218 38.3381 176.6855 94 C 4.3152 8.3554 119.7940 59.4980 41.6401 175.3767 95 A 4.1445 8.2732 122.7155 55.1754 18.0604 179.5625 96 K 3.8385 7.9428 116.9762 59.6161 31.8131 179.7057 97 K 4.1324 7.3047 116.9145 59.5135 32.3658 179.2522 98 I 3.1170 7.3680 120.2930 64.0436 36.7721 178.9806 99 V 3.9090 8.4717 120.3002 64.3962 30.9722 177.4798 100 S 4.7711 7.4568 112.7824 58.4309 62.7518 173.5340 101 D 4.7214 7.8498 120.4513 54.3449 40.8090 177.0203 102 G 4.0831 9.0744 104.0842 45.0858 0.0000 174.1176 103 N 4.9519 7.7803 113.5290 51.3518 41.4321 175.3669 104 G 3.9343 7.9390 108.2027 46.2422 0.0000 175.0875 105 M 4.0477 7.7431 121.9065 55.5030 31.6567 177.7111 106 N 4.7194 7.7413 116.8642 55.4883 38.8589 176.1373 107 A 3.7517 7.2590 120.2426 54.0066 18.6452 178.0420 108 W 4.6543 8.0621 117.0541 55.3097 30.2422 177.4272 109 V 3.6736 8.5449 124.1005 66.0967 31.1256 177.7368 110 A 4.0052 8.1812 120.6622 54.6938 18.0635 179.5438 111 W 3.8884 8.3090 126.6403 60.5527 30.0167 177.9515 112 R 3.5194 8.2983 118.7305 59.6558 29.3070 178.1888 113 N 4.4795 8.2035 114.8676 55.0069 38.7442 176.6197 114 R 4.2560 7.7583 116.0165 55.8390 31.6082 175.6108 115 C 4.6248 7.8855 115.3258 57.5468 43.0453 174.5958 116 K 3.3620 5.9667 117.2383 57.5413 31.7272 177.0013 117 G 3.8392 8.7380 113.8320 45.7882 0.0000 173.0619 118 T 4.3534 7.4467 110.0081 59.9914 70.3446 175.4431 119 D 4.6594 8.1792 120.9199 53.8080 39.4506 176.5051 120 V 4.2632 8.1831 119.7491 63.6143 32.6845 179.2104 121 Q 4.1956 8.3111 121.4873 59.9650 27.9211 183.5344 122 A 4.1576 7.7519 120.1211 55.2295 18.0432 179.3448 123 W 4.3262 8.1047 115.8809 58.4970 29.4361 176.9366 124 I 4.4581 7.6344 119.0945 60.6033 37.3345 175.4338 125 R 4.1836 7.6572 118.4458 57.2658 29.6945 177.2547 126 G 3.9437 8.9546 109.6059 45.5111 0.0000 173.7849 127 C 4.4464 7.9536 119.8382 56.6509 41.0855 174.5170 *128 R 4.4149 8.2638 122.9675 55.4407 28.7029 174.9064 129 L 4.1633 8.1429 123.4361 55.6166 39.7568 174.6723 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 K 8.17 4.23 0.00 1.77 1.71 0.00 1.32 0.00 0.00 0.93 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.95 1.17 7.81 2 V 8.21 4.68 2.11 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 0.96 0.00 0.00 0.98 0.00 0.00 3 F 9.69 4.44 0.00 2.79 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 4 G 9.00 3.78 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 0.00 0.00 0.00 5 R 8.80 3.31 0.00 2.08 2.01 0.00 3.77 0.00 0.00 3.85 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.97 0.00 6 C 8.10 4.33 0.00 3.01 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 7 E 8.05 3.91 0.00 2.06 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 0.00 2.68 2.44 0.00 8 L 8.21 3.49 0.00 1.27 1.29 -0.08 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.17 3.91 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 10 A 8.31 3.90 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 11 A 7.98 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 M 8.15 3.81 0.00 1.87 2.07 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.30 0.00 13 K 8.11 3.83 0.00 1.87 1.93 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.45 7.81 14 R 7.95 3.91 0.00 2.17 2.10 0.00 3.42 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 15 H 7.73 4.67 0.00 2.98 3.10 0.00 5.96 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.79 3.84 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 0.00 0.00 0.00 17 L 7.43 3.65 0.00 1.39 0.56 0.12 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.97 4.70 0.00 2.65 2.64 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 19 N 9.37 4.38 0.00 3.05 2.94 0.00 0.00 6.26 6.90 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 20 Y 8.36 4.09 0.00 3.29 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 21 R 8.96 3.56 0.00 2.46 2.13 0.00 3.44 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.17 0.00 22 G 8.33 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 0.00 0.00 0.00 23 Y 7.78 4.50 0.00 3.48 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 24 S 8.53 5.01 0.00 4.13 4.10 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 25 L 9.17 4.29 0.00 2.12 1.86 0.94 0.99 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 26 G 8.39 3.92 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 0.00 0.00 0.00 27 N 8.58 4.53 0.00 2.97 2.64 0.00 0.00 7.33 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 28 W 8.04 3.92 0.00 3.53 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 29 V 8.13 3.65 2.25 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 1.17 0.00 0.00 1.06 0.00 0.00 30 C 8.17 2.97 0.00 2.41 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 31 A 8.12 3.98 1.14 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 0.00 0.00 32 A 7.99 4.09 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.78 2.50 0.00 0.86 0.94 0.00 0.61 0.00 0.00 1.15 0.00 0.00 2.82 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.30 0.21 7.81 34 F 7.41 4.36 0.00 3.03 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.26 4.33 0.00 1.95 2.06 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 2.57 2.51 0.00 36 S 7.79 4.50 0.00 4.14 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 37 N 8.46 3.94 0.00 2.70 2.76 0.00 0.00 6.80 6.88 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 38 F 7.65 4.06 0.00 3.33 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 39 N 7.93 5.25 0.00 2.86 2.89 0.00 0.00 6.99 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 40 T 9.09 4.05 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 1.53 0.00 0.00 41 Q 8.28 4.45 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.85 0.00 0.00 0.00 0.00 0.00 2.53 2.34 0.00 42 A 7.92 4.29 1.31 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 0.00 0.00 43 T 8.39 4.94 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 1.27 0.00 0.00 44 N 8.72 4.90 0.00 2.79 2.59 0.00 0.00 6.93 7.29 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 45 R 8.63 4.55 0.00 2.07 1.77 0.00 3.39 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.22 0.00 46 N 8.97 5.06 0.00 2.85 2.72 0.00 0.00 6.48 7.02 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 47 T 8.56 3.89 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 48 D 8.04 4.46 0.00 2.77 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 49 G 8.10 3.84 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 0.00 0.00 0.00 50 S 7.70 4.69 0.00 3.75 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 51 T 9.15 5.00 4.16 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 0.59 0.00 0.00 52 D 9.06 5.34 0.00 2.49 2.61 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 0.00 53 Y 9.54 4.84 0.00 2.97 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 54 G 9.46 4.59 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 0.00 0.00 0.00 55 I 8.27 4.04 1.85 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.80 0.97 0.00 0.00 56 L 7.92 4.54 0.00 1.70 1.78 0.79 0.58 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 57 Q 7.93 3.43 0.00 2.42 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.41 6.93 0.00 0.00 0.00 0.00 0.00 2.38 2.71 0.00 58 I 7.90 4.29 2.06 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.92 1.10 0.00 0.00 59 N 9.07 5.51 0.00 3.16 3.11 0.00 0.00 6.28 6.83 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 60 S 9.02 4.59 0.00 4.06 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 61 R 7.82 3.66 0.00 1.32 0.66 0.00 2.89 0.00 0.00 3.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.76 0.00 62 W 7.81 4.30 0.00 2.36 2.06 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 63 W 8.25 4.96 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 64 C 8.08 5.36 0.00 3.10 3.19 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 0.00 0.00 0.00 0.00 65 N 9.10 4.98 0.00 2.94 2.69 0.00 0.00 6.92 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.62 4.68 0.00 2.75 2.50 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 67 G 8.71 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 68 R 8.12 4.58 0.00 1.91 1.97 0.00 3.07 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 69 T 7.74 4.61 4.16 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 1.06 0.00 0.00 70 P 0.00 4.24 0.00 2.11 2.02 0.00 3.57 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.05 0.00 71 G 8.64 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 0.00 0.00 0.00 72 S 8.02 4.40 0.00 3.89 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.28 4.55 0.00 1.84 1.80 0.00 3.24 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 74 N 8.04 5.03 0.00 2.69 2.65 0.00 0.00 7.17 6.91 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 75 L 8.65 4.08 0.00 1.62 1.92 0.85 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 76 C 8.69 4.53 0.00 3.40 3.24 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 77 N 8.11 4.32 0.00 2.88 2.90 0.00 0.00 6.92 7.49 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 78 I 7.16 4.75 1.87 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 1.41 1.19 0.92 0.00 0.00 79 P 0.00 4.78 0.00 2.18 2.18 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 80 C 8.84 4.14 0.00 2.18 1.56 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 81 S 7.86 3.89 0.00 4.02 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 82 A 7.64 4.06 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 83 L 7.92 4.32 0.00 1.92 1.80 1.01 0.33 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 84 L 7.57 4.93 0.00 1.87 1.74 1.11 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.71 4.69 0.00 3.99 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 86 S 8.46 4.23 0.00 3.89 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 87 D 7.99 4.63 0.00 2.64 2.61 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 0.00 88 I 8.37 4.05 1.68 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.20 0.78 0.00 0.00 89 T 8.00 3.63 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 1.26 0.00 0.00 90 A 7.90 3.96 1.31 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 0.00 0.00 91 S 8.01 4.09 0.00 3.99 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 92 V 7.81 3.32 1.94 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 0.69 0.00 0.00 0.70 0.00 0.00 93 N 8.06 4.24 0.00 2.78 2.81 0.00 0.00 6.56 7.33 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 94 C 8.36 4.32 0.00 3.03 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.27 4.14 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 K 7.94 3.84 0.00 1.86 1.73 0.00 1.38 0.00 0.00 1.24 0.00 0.00 2.46 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.30 1.16 7.81 97 K 7.30 4.13 0.00 2.01 1.91 0.00 1.80 0.00 0.00 1.90 0.00 0.00 3.12 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.51 7.81 98 I 7.37 3.12 1.54 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.05 -0.12 0.00 0.00 99 V 8.47 3.91 2.66 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 1.52 0.00 0.00 0.92 0.00 0.00 100 S 7.46 4.77 0.00 4.02 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 0.00 101 D 7.85 4.72 0.00 2.91 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 0.00 102 G 9.07 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 0.00 103 N 7.78 4.95 0.00 2.60 2.71 0.00 0.00 6.98 7.55 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 0.00 104 G 7.94 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 0.00 105 M 7.74 4.05 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.16 0.00 106 N 7.74 4.72 0.00 3.00 2.97 0.00 0.00 7.17 7.10 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 0.00 107 A 7.26 3.75 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 W 8.06 4.65 0.00 3.48 3.21 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 0.00 109 V 8.54 3.67 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 1.21 0.00 0.00 0.99 0.00 0.00 110 A 8.18 4.01 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 0.00 111 W 8.31 3.89 0.00 3.33 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 3.52 0.00 2.11 2.06 0.00 3.32 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.96 0.00 113 N 8.20 4.48 0.00 2.64 2.75 0.00 0.00 6.85 7.91 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 0.00 114 R 7.76 4.26 0.00 1.45 0.66 0.00 3.22 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.49 0.00 115 C 7.89 4.62 0.00 2.11 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 0.00 116 K 5.97 3.36 0.00 0.79 1.35 0.00 1.81 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.28 1.18 7.81 117 G 8.74 3.84 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 0.00 0.00 0.00 118 T 7.45 4.35 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 1.15 0.00 0.00 119 D 8.18 4.66 0.00 2.79 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 0.00 120 V 8.18 4.26 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 0.81 0.00 0.00 1.09 0.00 0.00 121 Q 8.31 4.20 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.00 0.00 122 A 7.75 4.16 1.07 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 0.00 123 W 8.10 4.33 0.00 3.62 3.43 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 0.00 124 I 7.63 4.46 2.12 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.71 0.97 0.00 0.00 125 R 7.66 4.18 0.00 1.94 1.91 0.00 3.03 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.53 0.00 126 G 8.95 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 0.00 127 C 7.95 4.45 0.00 3.15 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 *128 R 8.26 4.41 0.00 1.82 1.76 0.00 3.30 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.17 0.00 129 L 8.14 4.16 0.00 1.67 1.60 0.95 0.61 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 * Residues marked with a * may have inaccurate shift predictions.