NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.8580 8.1676 115.8704 57.2179 40.2022 176.8428 11 H 3.5437 5.5329 117.6998 56.7955 28.2579 173.7301 12 E 3.6591 8.1880 121.0738 59.3736 30.3999 179.5702 13 M 4.5469 7.2034 116.2688 55.4936 32.1642 177.5568 14 R 4.6515 7.6845 116.1256 56.4328 35.3835 175.7948 15 E 3.9974 8.1473 116.9287 55.3300 29.8354 174.8733 16 P 4.2953 0.0000 0.0000 62.6871 32.2844 175.6458 17 R 4.1733 7.6406 113.7550 54.9744 33.0856 174.1720 18 I 4.0372 8.7184 124.3468 62.3231 37.0325 175.2522 19 E 4.3466 9.5502 130.0802 58.2047 30.4953 176.6285 20 K 4.7472 7.5446 115.8748 55.8065 36.0952 174.7463 21 V 5.2091 8.7865 123.3217 60.4934 33.8165 174.2302 22 V 4.4698 8.0740 128.4786 62.0475 33.6257 175.0961 23 V 5.0321 8.5007 120.0651 58.8920 34.4634 174.0150 24 H 5.2501 8.6592 124.7419 54.3932 33.7543 172.1392 25 M 4.4982 8.3629 123.2070 53.4539 34.1108 175.5713 26 G 3.6818 8.3381 112.5264 47.2336 0.0000 172.1885 27 I 3.5923 8.6125 130.4230 60.9340 36.6254 175.7636 28 G 3.7547 5.3800 124.0343 45.7122 0.0000 172.7004 29 H 4.7457 7.3210 118.5293 55.5027 31.4584 174.1721 *35 A 4.3391 7.6189 124.8528 52.3039 18.8687 178.5322 36 N 4.5482 9.4870 118.0645 54.6870 37.8716 175.1014 37 A 4.3738 7.7620 123.0546 53.6541 19.6789 178.9145 38 E 4.0003 8.0415 117.5890 59.4484 29.3955 179.1154 39 D 4.3494 8.0537 118.7434 57.4445 41.0351 178.6110 40 I 3.7390 7.7334 112.9424 64.1925 37.5844 178.0095 41 L 4.1171 7.7209 119.4081 57.2276 41.3065 179.7641 42 G 3.5694 7.8783 105.4696 47.3216 0.0000 175.8099 43 E 4.0374 7.9883 120.1747 58.8102 29.5260 178.8647 44 I 4.0305 7.9030 118.0423 62.8924 38.1208 177.0256 45 T 4.4022 7.4797 109.0470 64.5687 69.8674 175.4308 46 G 4.0272 7.8230 107.1170 44.7338 0.0000 173.0451 47 Q 4.5701 8.0704 117.3840 54.1693 31.8945 174.1070 48 M 4.0527 8.4651 118.4180 55.3947 32.4289 175.1059 49 P 4.8461 0.0000 0.0000 62.0883 34.3577 174.7760 50 V 4.4244 8.1320 117.9335 61.2166 34.7211 175.2339 51 R 4.3864 8.8525 126.9092 57.0663 30.9248 176.0037 52 T 4.4718 9.2838 120.2814 62.1505 70.9531 174.0460 53 K 5.1648 8.6358 127.3000 54.9956 35.0962 174.6920 54 A 4.6954 7.7579 120.3482 51.8716 22.6873 176.0078 55 K 4.5002 7.9861 116.6596 55.9330 36.4919 173.7201 56 R 3.7878 8.8542 128.1295 55.6377 27.2099 176.4402 57 T 4.1757 8.3150 118.3709 63.1108 69.2737 174.0494 58 V 4.4259 8.1404 123.1470 60.6644 34.3478 176.2602 59 G 3.9478 9.1927 116.5785 48.9672 0.0000 174.3920 60 E 4.1822 8.2217 117.7233 58.9357 27.1042 177.0100 61 F 4.0839 7.3338 127.2516 60.8644 38.2160 175.0472 62 D 4.9129 7.8219 119.0593 53.9488 43.2461 176.3514 63 I 2.9707 8.7713 104.3068 63.6736 37.2417 176.4105 64 R 3.3580 8.3827 115.3866 54.1385 30.1605 173.6425 65 E 3.8741 8.4211 128.7547 58.2556 30.3085 175.9992 66 G 4.1810 7.6754 117.8474 45.9985 0.0000 171.4507 67 D 4.6323 8.5045 123.1015 51.0000 42.2781 173.3995 68 P 4.4186 0.0000 0.0000 63.7021 31.4086 175.8456 69 I 4.5950 9.0565 121.3972 61.9820 42.3743 174.6515 70 G 4.3885 7.7408 106.2642 46.5136 0.0000 171.7704 71 A 5.7983 8.1756 119.6437 52.0243 23.5117 175.6299 72 K 5.2119 8.2018 116.8915 56.3425 36.7564 175.0818 73 V 4.6286 8.0060 119.7142 61.6873 34.8261 173.2710 74 T 4.5830 8.5481 118.8775 60.4557 69.8591 173.8676 75 L 4.6854 8.4772 127.2047 53.2004 43.8008 176.1582 76 R 4.7843 7.9415 120.5725 55.0866 34.1427 176.5583 77 D 4.3390 8.9198 119.9782 55.4800 38.9148 176.1855 78 E 3.9491 8.9826 121.8083 61.1569 29.1153 178.5163 79 M 3.9509 8.2862 117.7273 58.5812 31.8594 178.7053 80 A 3.9817 7.8053 120.0478 55.2166 18.9487 179.0667 81 E 3.9714 8.2539 117.1510 59.6050 29.0160 179.1509 82 E 4.0596 8.6100 118.6660 59.8030 29.6112 179.7903 83 F 4.1681 7.9292 120.0366 61.3177 39.4755 177.3493 84 L 4.0493 8.2131 118.7080 57.8802 41.1770 179.2289 85 Q 3.8834 8.3627 117.8007 58.8282 28.6683 178.5845 86 T 4.2480 6.9164 105.2852 63.1871 70.0345 176.4101 87 A 3.8302 7.9901 124.0819 54.4620 18.2563 179.1435 88 L 3.7194 8.2118 116.8364 57.5692 41.6694 177.9519 89 P 4.2330 0.0000 0.0000 65.6725 31.3724 177.7951 90 L 4.1141 7.4057 112.0107 55.5807 41.2910 176.7701 91 A 4.7738 7.8101 121.9353 50.4591 21.8332 176.9045 92 E 4.6271 8.0887 118.3023 56.0338 29.4738 176.9248 93 L 3.6662 7.0253 116.1404 54.7502 42.6167 177.2814 94 A 5.7015 8.2555 126.0499 50.1106 21.8139 175.0115 95 T 4.0897 8.2649 111.8347 66.2586 69.3705 177.3995 96 S 4.0841 8.1984 115.5574 61.7699 62.5147 176.1957 97 Q 4.2243 8.0344 116.8504 57.0058 28.3915 175.3314 98 F 5.0662 8.1636 118.1067 55.4214 40.6655 175.4713 99 D 4.6819 10.0380 125.3173 53.9083 41.8301 176.7764 100 D 4.4652 8.5715 122.1052 57.6909 40.9199 177.9236 101 T 4.1253 8.0976 113.1270 64.0300 68.3336 175.1332 102 G 3.9877 8.0684 109.3928 45.9719 0.0000 173.3038 103 N 5.0208 7.8127 116.6187 51.6146 41.1417 173.4078 104 F 5.0507 7.5268 111.5854 56.6815 41.2652 173.1525 105 S 5.0468 8.5909 114.4423 56.7291 65.8365 172.8447 106 F 4.9056 8.7938 119.6871 56.5938 41.2953 173.1532 107 G 4.2168 8.8365 104.0629 44.4220 0.0000 172.2060 *128 L 4.0439 8.4670 121.3185 55.1281 43.7468 176.6458 129 D 5.0062 8.8082 125.6871 52.4665 44.3680 175.4617 130 V 4.6037 7.8116 120.5576 61.4405 34.6619 174.2821 131 T 4.8108 9.0502 124.4998 61.5429 71.5645 173.2293 132 V 4.5761 7.8728 124.3675 60.9885 34.5412 173.5490 133 N 5.0348 9.2531 127.3541 52.0973 40.3174 173.3364 134 L 5.2598 8.0087 126.0294 53.1504 44.4348 176.0447 135 V 4.2368 7.5957 119.2985 60.9258 34.9125 171.9081 136 R 3.8510 9.1898 118.3007 57.4455 30.5692 175.7995 137 P 3.1752 0.0000 0.0000 62.2680 33.0471 178.0751 138 G 4.0216 9.0532 111.6988 46.6855 0.0000 173.3070 139 Y 4.3455 7.7343 120.4660 59.7072 40.1932 176.8883 140 R 3.8498 8.1177 119.1967 59.0448 29.8969 178.1974 141 V 3.5844 7.8557 117.2675 65.0604 31.3247 176.4117 142 A 4.8921 7.6027 119.4157 50.9743 19.6596 176.9937 143 K 4.2338 7.4470 115.0119 55.8265 33.7131 176.4846 144 R 4.2977 7.4762 115.6904 55.4042 30.6543 176.2404 145 D 4.5033 8.2946 117.0221 56.5956 41.1327 177.5932 146 K 3.9244 7.9360 118.1613 58.0164 32.6093 177.3217 147 A 3.5478 8.6485 125.5504 52.4371 16.2685 176.7926 148 S 4.5314 7.2030 113.3970 60.6244 64.2367 173.5703 149 R 4.5807 8.8014 119.1567 55.3125 33.6060 174.0573 150 S 4.5995 8.5638 119.6060 57.7121 63.6052 173.6696 151 I 3.9543 8.1840 126.1851 60.2872 37.6675 174.5305 152 P 4.3952 0.0000 0.0000 62.5598 32.0696 177.3100 153 T 3.9368 8.8087 112.5909 64.9183 68.5935 176.3439 154 K 3.9605 8.1564 120.2295 59.0935 32.1609 176.8997 155 H 4.7138 8.3411 116.2311 55.8383 29.7859 174.8914 156 R 4.2984 7.6383 117.2579 55.7375 30.7911 175.7285 157 L 4.4551 8.0479 121.2398 54.4854 43.4283 175.5703 158 N 5.2169 8.1286 117.8159 49.9557 43.7095 173.8551 159 P 4.4083 0.0000 0.0000 66.2946 31.4075 178.3582 160 A 3.9017 8.0641 118.8982 55.3474 18.3295 178.9829 161 D 4.4814 8.2039 115.7902 57.4194 40.9320 178.8737 162 A 4.2170 8.3634 122.0379 54.6820 18.4304 179.3239 163 V 3.2583 8.3600 115.8802 66.3869 31.5560 177.7838 164 A 4.0078 8.5603 120.0838 55.5274 17.8874 178.9691 165 F 4.0994 8.3400 117.8596 61.6938 39.8775 177.4471 166 I 3.4501 8.1049 118.8962 64.3831 36.7952 177.8397 167 E 4.5598 8.4360 120.9050 58.6878 29.7180 178.0945 168 S 4.4543 7.7441 112.7084 57.4300 64.0911 175.2337 169 T 4.6602 7.6166 112.4116 63.7622 71.4249 173.8605 170 Y 3.4214 7.3565 120.1537 57.8837 35.8000 168.7760 171 D 4.3122 6.8596 117.6150 53.4732 41.8223 175.2387 172 V 4.6496 8.0779 118.8446 60.8094 34.8386 176.3137 173 E 4.5142 8.7003 129.0509 57.1267 28.4275 176.8427 174 V 3.9379 7.3820 116.4460 64.1392 32.0482 174.9073 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 10 F 8.17 4.86 0.00 3.35 3.40 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 0.00 11 H 5.53 3.54 0.00 3.11 2.49 0.00 5.46 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.19 3.66 0.00 1.58 1.84 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 2.21 2.22 0.00 13 M 7.20 4.55 0.00 2.15 2.08 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 2.63 2.63 0.00 14 R 7.68 4.65 0.00 1.99 1.93 0.00 3.43 0.00 0.00 3.40 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 15 E 8.15 4.00 0.00 2.10 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 2.56 2.24 0.00 16 P 0.00 4.30 0.00 0.83 1.61 0.00 3.65 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 2.00 2.00 0.00 17 R 7.64 4.17 0.00 1.78 1.83 0.00 2.76 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.48 0.00 18 I 8.72 4.04 1.97 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 1.44 0.84 0.96 0.00 0.00 19 E 9.55 4.35 0.00 1.77 1.92 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 2.26 2.25 0.00 20 K 7.54 4.75 0.00 1.78 1.81 0.00 1.45 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.33 1.35 7.81 21 V 8.79 5.21 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 1.02 0.00 0.00 0.98 0.00 0.00 22 V 8.07 4.47 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 0.84 0.00 0.00 0.85 0.00 0.00 23 V 8.50 5.03 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 0.60 0.00 0.00 0.66 0.00 0.00 24 H 8.66 5.25 0.00 3.20 2.99 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 M 8.36 4.50 0.00 1.90 1.85 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 26 G 8.34 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 27 I 8.61 3.59 2.01 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 1.20 0.68 0.68 0.00 0.00 28 G 5.38 3.75 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 0.00 0.00 0.00 29 H 7.32 4.75 0.00 3.08 3.22 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *35 A 7.62 4.34 1.13 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 36 N 9.49 4.55 0.00 2.88 2.94 0.00 0.00 5.82 7.26 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 37 A 7.76 4.37 1.30 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 0.00 0.00 38 E 8.04 4.00 0.00 2.11 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 2.30 2.34 0.00 39 D 8.05 4.35 0.00 2.68 2.71 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 0.00 0.00 0.00 40 I 7.73 3.74 1.88 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 1.89 0.81 0.91 0.00 0.00 41 L 7.72 4.12 0.00 1.87 1.70 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 42 G 7.88 3.57 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 0.00 0.00 0.00 43 E 7.99 4.04 0.00 1.99 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 2.35 2.64 0.00 44 I 7.90 4.03 2.02 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.88 1.04 0.00 0.00 45 T 7.48 4.40 4.05 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 0.93 0.00 0.00 46 G 7.82 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 0.00 0.00 0.00 0.00 47 Q 8.07 4.57 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.89 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 48 M 8.47 4.05 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 49 P 0.00 4.85 0.00 2.03 2.05 0.00 3.69 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 50 V 8.13 4.42 2.05 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 0.88 0.00 0.00 0.94 0.00 0.00 51 R 8.85 4.39 0.00 1.71 1.84 0.00 3.35 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 52 T 9.28 4.47 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 1.20 0.00 0.00 53 K 8.64 5.16 0.00 1.62 1.76 0.00 1.79 0.00 0.00 1.09 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.25 7.81 54 A 7.76 4.70 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.99 4.50 0.00 1.58 1.65 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.70 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.44 7.81 56 R 8.85 3.79 0.00 1.98 2.06 0.00 3.23 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 57 T 8.32 4.18 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 58 V 8.14 4.43 2.10 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 1.10 0.00 0.00 0.98 0.00 0.00 59 G 9.19 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 60 E 8.22 4.18 0.00 2.14 2.05 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 2.31 2.33 0.00 61 F 7.33 4.08 0.00 3.00 3.31 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 62 D 7.82 4.91 0.00 2.84 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 63 I 8.77 2.97 1.96 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.76 1.04 0.00 0.00 64 R 8.38 3.36 0.00 1.84 2.20 0.00 3.25 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 65 E 8.42 3.87 0.00 2.04 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 2.44 2.31 0.00 66 G 7.68 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.50 4.63 0.00 2.64 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 68 P 0.00 4.42 0.00 1.92 2.06 0.00 3.61 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 69 I 9.06 4.60 1.96 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 1.10 1.06 0.90 0.00 0.00 70 G 7.74 4.39 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 0.00 71 A 8.18 5.80 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 72 K 8.20 5.21 0.00 1.75 1.88 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.75 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.23 7.81 73 V 8.01 4.63 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 0.89 0.00 0.00 0.90 0.00 0.00 74 T 8.55 4.58 4.19 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 1.16 0.00 0.00 75 L 8.48 4.69 0.00 1.65 1.65 0.57 0.53 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 76 R 7.94 4.78 0.00 1.62 1.76 0.00 3.31 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 77 D 8.92 4.34 0.00 2.89 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 78 E 8.98 3.95 0.00 2.02 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 2.42 2.43 0.00 79 M 8.29 3.95 0.00 2.01 2.27 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.59 0.00 80 A 7.81 3.98 1.41 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 0.00 0.00 81 E 8.25 3.97 0.00 2.21 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 2.40 2.55 0.00 82 E 8.61 4.06 0.00 2.05 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 2.56 0.00 83 F 7.93 4.17 0.00 3.26 3.31 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 84 L 8.21 4.05 0.00 1.97 1.78 1.08 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.36 3.88 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.56 0.00 86 T 6.92 4.25 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 1.14 0.00 0.00 87 A 7.99 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.21 3.72 0.00 1.73 1.71 0.98 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.23 0.00 2.10 2.10 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 90 L 7.41 4.11 0.00 1.72 1.74 0.92 0.74 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 91 A 7.81 4.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.09 4.63 0.00 1.94 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 2.19 2.28 0.00 93 L 7.03 3.67 0.00 1.56 1.61 0.76 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.26 5.70 1.27 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 95 T 8.26 4.09 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 1.16 0.00 0.00 96 S 8.20 4.08 0.00 4.06 4.20 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 0.00 0.00 0.00 97 Q 8.03 4.22 0.00 2.50 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.82 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 98 F 8.16 5.07 0.00 3.16 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 99 D 10.04 4.68 0.00 2.79 2.71 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 0.00 0.00 0.00 100 D 8.57 4.47 0.00 2.73 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 0.00 101 T 8.10 4.13 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 1.23 0.00 0.00 102 G 8.07 3.99 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 0.00 0.00 0.00 103 N 7.81 5.02 0.00 2.77 2.75 0.00 0.00 6.56 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 0.00 104 F 7.53 5.05 0.00 2.72 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 0.00 105 S 8.59 5.05 0.00 3.71 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 0.00 106 F 8.79 4.91 0.00 3.18 3.32 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 0.00 107 G 8.84 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 *128 L 8.47 4.04 0.00 1.75 1.60 0.95 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.81 5.01 0.00 2.72 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 0.00 0.00 0.00 0.00 130 V 7.81 4.60 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 0.00 0.00 1.02 0.00 0.00 0.96 0.00 0.00 131 T 9.05 4.81 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 1.03 0.00 0.00 132 V 7.87 4.58 1.05 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 1.00 0.00 0.00 0.66 0.00 0.00 133 N 9.25 5.03 0.00 2.79 2.64 0.00 0.00 6.60 6.69 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 0.00 134 L 8.01 5.26 0.00 1.68 1.48 1.31 1.11 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 0.00 135 V 7.60 4.24 1.55 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 0.22 0.00 0.00 0.76 0.00 0.00 136 R 9.19 3.85 0.00 1.75 2.06 0.00 2.98 0.00 0.00 2.84 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 0.00 137 P 0.00 3.18 0.00 2.15 1.97 0.00 3.67 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 1.93 2.11 0.00 138 G 9.05 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 0.00 139 Y 7.73 4.35 0.00 3.15 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 0.00 140 R 8.12 3.85 0.00 1.93 1.94 0.00 3.24 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 141 V 7.86 3.58 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 0.97 0.00 0.00 0.97 0.00 0.00 142 A 7.60 4.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 K 7.45 4.23 0.00 1.62 1.78 0.00 1.75 0.00 0.00 1.64 0.00 0.00 3.13 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.81 1.34 7.81 144 R 7.48 4.30 0.00 1.93 1.99 0.00 3.03 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.69 0.00 145 D 8.29 4.50 0.00 2.67 2.73 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 0.00 146 K 7.94 3.92 0.00 1.80 1.72 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.42 7.81 147 A 8.65 3.55 1.30 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 0.00 0.00 148 S 7.20 4.53 0.00 3.87 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 0.00 149 R 8.80 4.58 0.00 1.81 1.72 0.00 3.07 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 150 S 8.56 4.60 0.00 3.91 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 0.00 151 I 8.18 3.95 1.97 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 1.42 1.14 1.05 0.00 0.00 152 P 0.00 4.40 0.00 2.21 1.99 0.00 3.67 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 153 T 8.81 3.94 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 0.00 154 K 8.16 3.96 0.00 1.79 1.95 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.51 7.81 155 H 8.34 4.71 0.00 3.07 3.43 0.00 5.94 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.64 4.30 0.00 2.12 1.88 0.00 3.43 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.75 0.00 157 L 8.05 4.46 0.00 1.54 1.83 0.89 0.95 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 0.00 158 N 8.13 5.22 0.00 2.82 2.67 0.00 0.00 6.80 8.03 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 0.00 159 P 0.00 4.41 0.00 2.17 2.19 0.00 3.64 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.44 0.00 160 A 8.06 3.90 1.29 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 0.00 0.00 161 D 8.20 4.48 0.00 2.74 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 0.00 162 A 8.36 4.22 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 0.00 0.00 0.00 0.00 0.00 163 V 8.36 3.26 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 0.78 0.00 0.00 0.13 0.00 0.00 164 A 8.56 4.01 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 0.00 165 F 8.34 4.10 0.00 3.05 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 0.00 166 I 8.10 3.45 1.87 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.32 0.89 0.00 0.00 167 E 8.44 4.56 0.00 1.90 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 0.00 2.26 2.29 0.00 168 S 7.74 4.45 0.00 3.91 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 0.00 169 T 7.62 4.66 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 1.29 0.00 0.00 170 Y 7.36 3.42 0.00 3.00 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 0.00 171 D 6.86 4.31 0.00 2.79 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 0.00 172 V 8.08 4.65 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 0.82 0.00 0.00 0.89 0.00 0.00 173 E 8.70 4.51 0.00 1.94 1.62 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 2.32 2.20 0.00 174 V 7.38 3.94 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 1.27 0.00 0.00 0.85 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.