NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.2464 8.0393 120.3965 62.0902 33.5558 173.8351 2 T 4.0944 8.2015 123.1628 62.2468 68.0047 171.7406 3 L 4.3650 8.9476 122.9679 55.6409 45.0419 178.7918 4 L 5.1893 7.7696 116.2738 52.7801 45.5016 176.4646 5 E 4.4355 9.7655 125.2019 54.7598 30.9069 173.9604 6 Q 5.0339 8.5781 128.3661 54.5687 30.0221 174.1426 7 N 5.2454 8.8855 124.0260 51.0926 42.4887 173.5118 8 P 4.9369 0.0000 0.0000 62.2967 33.8470 173.4503 9 R 4.4975 8.3515 112.3543 56.4401 32.1406 177.2691 10 W 5.6495 7.4872 127.5838 55.5954 29.8171 174.2851 11 R 4.2585 8.1020 120.8688 56.8477 31.6889 175.4932 12 L 4.9913 8.2265 123.1030 53.2932 44.4905 175.8867 13 V 3.9756 7.8883 127.2753 60.3762 32.1072 174.3823 14 P 4.2839 0.0000 0.0000 63.2604 31.7559 177.5749 15 R 4.8854 7.4047 127.7127 57.7304 30.3268 175.3600 16 G 3.9850 7.9887 103.2419 45.2669 0.0000 172.9355 17 Q 4.5130 7.7429 117.6801 53.8709 31.0695 175.7019 18 A 4.7475 8.0350 123.5104 49.6357 18.6811 177.1403 19 V 4.0383 7.8353 121.5389 63.7322 33.2342 174.2220 20 N 5.3117 8.4234 120.7559 51.4151 40.4808 173.5851 21 L 4.7513 9.6145 121.3775 53.5315 45.6550 175.0060 22 R 5.1176 8.1274 115.7384 56.0752 34.0072 172.5101 23 C 5.5524 10.0294 127.0154 54.8758 45.5659 172.2871 24 I 4.9375 9.3119 127.3682 59.4037 39.4790 174.5005 25 L 4.6029 8.3381 129.7945 54.5632 41.5927 176.5738 26 K 4.1812 9.3394 127.8353 59.0761 32.7234 177.6275 27 N 4.6738 8.0432 117.7216 52.5143 39.6289 174.8247 28 S 4.3652 8.6582 120.4885 60.0648 63.1067 174.4205 29 Q 4.4314 8.0303 119.0720 55.7135 28.8981 176.2995 30 Y 5.2329 7.4977 113.9325 55.4612 38.5547 173.3579 30A P 4.4383 0.0000 0.0000 63.7532 32.7715 177.6295 31 W 4.1760 8.3994 120.1824 56.2060 28.9650 174.2189 32 M 5.1437 8.3911 124.3134 53.4775 34.7039 175.4356 33 S 5.0843 8.5393 118.1421 56.7004 67.4762 172.7401 34 W 5.4560 9.3200 120.4167 55.4345 32.2545 174.7773 35 Y 5.3558 9.4595 121.1764 56.1814 41.8798 174.3857 36 Q 5.0031 9.4087 118.7269 54.5921 32.5100 174.3779 37 Q 5.0522 9.1448 122.3860 54.2599 31.7417 174.5544 38 D 4.8549 8.8019 126.6891 52.4317 40.3729 177.4416 39 L 4.0109 8.5116 119.8447 57.3720 41.5859 178.1768 40 Q 4.5975 8.6980 116.5945 56.3564 28.9148 175.2772 41 K 3.9925 8.1974 114.5007 58.5947 32.6077 174.5792 42 Q 4.1591 7.9555 117.3520 56.6907 29.3001 174.7737 43 L 5.1944 8.3853 124.1467 53.9184 43.8312 175.4748 44 Q 4.7015 9.9523 125.4813 53.6616 32.5397 174.5557 45 W 2.8995 8.8468 134.1983 57.4013 31.0808 174.6315 46 L 3.7784 7.8050 126.2958 55.1127 42.3561 176.4289 47 F 3.8797 6.3468 110.8311 56.0015 41.2684 172.6909 48 T 5.0584 8.7713 115.5131 62.1484 70.9682 173.8671 49 L 4.3664 8.2513 127.3760 53.3623 41.7588 177.2729 50 R 3.5474 8.5276 124.5830 58.7290 30.4736 176.8473 51 S 4.6263 7.5844 113.2280 56.0464 64.5772 171.8606 52 P 4.5034 0.0000 0.0000 64.1414 31.4725 176.9755 53 G 3.7646 10.2029 111.3331 45.5244 0.0000 172.8809 54 D 4.7776 7.8155 120.7936 52.7900 41.4326 175.6643 55 K 4.8490 8.4215 122.8138 55.5160 35.2156 175.4224 56 E 4.7763 8.7102 120.1227 55.1883 34.3651 174.5359 57 V 4.9557 8.0222 113.3619 60.1673 36.2480 174.4122 58 K 4.6705 8.7353 121.3408 56.1619 36.3921 174.4648 59 S 4.7469 8.5201 118.1070 57.1947 65.4461 173.3271 60 L 4.8090 8.4229 124.2509 51.4721 44.8114 174.2557 61 P 4.4303 0.0000 0.0000 64.2337 31.6687 177.2915 62 G 4.3452 9.7652 111.1810 43.9167 0.0000 172.2297 63 A 4.3909 7.0399 118.8781 51.2613 23.4011 175.1361 64 D 4.9066 8.3905 121.1154 52.5990 44.0028 174.9155 65 Y 5.3445 8.3984 120.5053 56.1444 41.6151 174.5660 66 L 5.0083 8.5582 123.3509 53.3396 45.3030 175.1088 67 A 4.8846 8.8635 127.4570 50.5576 22.8367 174.7268 68 T 4.8232 8.1697 113.4759 62.3338 73.0811 173.3160 69 R 4.5435 8.7207 126.6117 54.0660 29.7800 176.1429 70 V 3.6117 8.5387 122.7653 65.1887 32.2872 176.3451 71 T 4.7725 7.2197 109.6089 60.6470 70.5838 173.2661 72 D 4.5693 8.7665 119.2820 56.7501 41.5079 176.5146 73 T 4.6749 8.5334 107.5373 60.6995 71.3678 173.1886 74 E 4.7918 8.1028 123.1292 55.2372 31.6101 175.1984 75 L 4.5558 8.4183 126.4470 54.6624 45.4244 174.6010 76 R 5.2546 8.6712 125.8664 54.8849 33.8834 174.6965 77 L 4.4103 8.3244 119.8653 54.1260 45.9546 173.7225 78 Q 4.8034 8.8681 124.8635 54.6211 30.4737 175.1097 79 V 4.4994 8.2358 117.4929 60.7650 33.7524 175.3175 80 A 4.3299 8.6224 123.0172 52.1071 22.8774 176.5766 81 N 4.2938 8.9885 118.1574 53.6843 37.2955 173.7842 82 M 4.9780 7.6217 115.4909 54.8440 31.9407 175.5918 83 S 4.7107 8.5096 121.7113 58.0267 64.0148 175.0209 84 Q 4.3174 7.6980 121.1602 54.0196 30.1395 173.6607 85 G 4.1814 8.3457 109.7930 47.1785 0.0000 170.4333 86 R 4.7426 9.0033 118.2704 55.0865 33.4464 173.4779 87 T 4.9597 8.0694 115.7742 60.1656 69.2453 173.4693 *90 L 4.5323 8.3366 127.3427 55.0229 43.7301 174.9910 91 Y 5.0370 8.7112 121.9957 56.6656 39.8481 174.6136 92 C 4.3174 9.2916 125.0954 56.3744 39.5464 172.2186 93 T 4.9437 7.9444 112.9849 60.5508 72.6207 172.1494 94 C 5.2546 8.8319 116.2269 57.3613 33.1222 173.0566 95 S 5.1622 9.5563 115.8424 56.6838 66.8839 173.2078 96 A 4.3504 8.7391 123.4090 51.1432 19.0707 177.1007 97 A 2.5800 8.0014 122.4350 50.6787 18.7693 176.0948 98 P 4.5359 0.0000 0.0000 62.0031 32.2552 176.1896 99 D 4.2612 8.3387 122.3013 56.2001 41.3057 177.9966 100 W 3.9849 7.9656 115.4519 56.8060 28.4112 174.4799 101 G 3.7167 7.8816 106.9675 47.2818 0.0000 175.3252 102 A 3.3675 8.8292 120.8638 54.4063 20.3247 177.5562 103 S 3.6356 8.2620 107.8364 58.5244 60.8916 172.9195 104 A 4.6594 7.2719 123.2008 50.5865 19.5195 175.8022 105 E 4.4977 7.5284 120.7966 54.8423 32.1450 176.0070 105A T 4.0253 8.0336 116.9703 62.5011 69.5878 174.0804 106 L 4.3067 7.9521 127.7872 53.8894 43.2128 174.8130 107 Y 4.7219 8.2697 124.9193 56.5229 39.9377 174.8212 108 F 4.5783 8.9575 123.0769 56.0301 40.6209 177.1473 109 G 4.0651 9.1457 112.4560 46.0622 0.0000 173.2986 110 S 4.6222 9.0309 114.0821 57.8562 63.7237 173.1768 111 G 3.6512 8.5741 112.0662 45.3968 0.0000 173.4694 112 T 4.6214 7.9960 117.2324 61.1900 71.1388 173.5539 113 R 3.9697 8.8779 129.0311 56.2177 31.3059 175.3290 114 L 5.0877 8.9808 127.3079 52.2275 42.0477 176.3090 115 T 4.2818 7.9930 115.0524 60.9140 71.2106 174.3048 116 V 3.9118 8.3173 117.9192 64.1803 33.6032 174.9337 116A L 4.1866 7.9343 125.3438 55.5568 41.8024 176.8613 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 V 8.04 4.25 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 1.01 0.00 0.00 0.95 0.00 0.00 2 T 8.20 4.09 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 1.19 0.00 0.00 3 L 8.95 4.37 0.00 1.51 1.62 0.87 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 4 L 7.77 5.19 0.00 1.44 1.47 0.83 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 5 E 9.77 4.44 0.00 2.00 2.01 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 2.23 2.24 0.00 6 Q 8.58 5.03 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 6.48 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 7 N 8.89 5.25 0.00 2.74 2.69 0.00 0.00 6.33 7.66 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 8 P 0.00 4.94 0.00 2.23 2.14 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 9 R 8.35 4.50 0.00 1.83 2.05 0.00 3.33 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 10 W 7.49 5.65 0.00 3.35 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 11 R 8.10 4.26 0.00 2.04 1.85 0.00 3.27 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 12 L 8.23 4.99 0.00 1.78 1.62 1.03 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.89 3.98 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 0.74 0.00 0.00 0.95 0.00 0.00 14 P 0.00 4.28 0.00 2.06 2.10 0.00 3.79 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 2.02 2.08 0.00 15 R 7.40 4.89 0.00 1.80 1.93 0.00 3.21 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.36 0.00 16 G 7.99 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 0.00 0.00 0.00 17 Q 7.74 4.51 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.01 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 18 A 8.03 4.75 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 19 V 7.84 4.04 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 0.98 0.00 0.00 0.93 0.00 0.00 20 N 8.42 5.31 0.00 2.70 2.68 0.00 0.00 5.95 7.79 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 21 L 9.61 4.75 0.00 1.27 1.68 0.89 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 22 R 8.13 5.12 0.00 1.91 1.79 0.00 3.07 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.58 0.00 23 C 10.03 5.55 0.00 2.91 2.74 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 24 I 9.31 4.94 2.02 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 1.28 1.59 0.96 0.00 0.00 25 L 8.34 4.60 0.00 1.68 1.61 1.10 0.67 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 K 9.34 4.18 0.00 1.79 1.86 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.68 1.60 7.81 27 N 8.04 4.67 0.00 2.76 2.93 0.00 0.00 7.00 7.63 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 28 S 8.66 4.37 0.00 3.87 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 29 Q 8.03 4.43 0.00 1.90 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 7.25 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 30 Y 7.50 5.23 0.00 2.98 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 30A P 0.00 4.44 0.00 2.22 2.23 0.00 3.86 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 2.28 2.22 0.00 31 W 8.40 4.18 0.00 3.67 3.22 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 32 M 8.39 5.14 0.00 1.79 1.85 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.54 0.00 33 S 8.54 5.08 0.00 4.12 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 34 W 9.32 5.46 0.00 3.38 2.94 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 35 Y 9.46 5.36 0.00 3.11 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 36 Q 9.41 5.00 0.00 2.11 2.13 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 2.17 2.30 0.00 37 Q 9.14 5.05 0.00 2.40 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.91 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 38 D 8.80 4.85 0.00 3.00 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 39 L 8.51 4.01 0.00 1.64 1.79 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.70 4.60 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.62 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 41 K 8.20 3.99 0.00 1.97 1.96 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.39 7.81 42 Q 7.96 4.16 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.85 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 43 L 8.39 5.19 0.00 1.70 1.68 1.26 0.47 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 44 Q 9.95 4.70 0.00 2.08 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 45 W 8.85 2.90 0.00 2.57 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 46 L 7.80 3.78 0.00 0.81 0.13 -0.21 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 47 F 6.35 3.88 0.00 2.91 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 48 T 8.77 5.06 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 1.42 0.00 0.00 49 L 8.25 4.37 0.00 1.50 1.73 1.02 0.78 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 50 R 8.53 3.55 0.00 1.31 1.51 0.00 2.21 0.00 0.00 2.35 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 51 S 7.58 4.63 0.00 3.86 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 52 P 0.00 4.50 0.00 2.02 2.02 0.00 3.65 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 53 G 10.20 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 54 D 7.82 4.78 0.00 2.82 2.59 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 55 K 8.42 4.85 0.00 1.77 1.72 0.00 1.51 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.39 7.81 56 E 8.71 4.78 0.00 1.35 1.66 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 2.15 2.40 0.00 57 V 8.02 4.96 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 0.72 0.00 0.00 0.93 0.00 0.00 58 K 8.74 4.67 0.00 2.03 1.79 0.00 1.46 0.00 0.00 1.36 0.00 0.00 2.81 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.24 1.34 7.81 59 S 8.52 4.75 0.00 3.81 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 60 L 8.42 4.81 0.00 1.70 1.55 1.06 0.97 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 61 P 0.00 4.43 0.00 2.02 1.98 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 62 G 9.77 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 63 A 7.04 4.39 0.80 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 0.00 0.00 64 D 8.39 4.91 0.00 2.72 2.44 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 65 Y 8.40 5.34 0.00 3.18 2.94 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 66 L 8.56 5.01 0.00 1.63 1.42 0.85 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.86 4.88 0.45 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 68 T 8.17 4.82 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 69 R 8.72 4.54 0.00 1.88 1.99 0.00 3.49 0.00 0.00 3.06 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 70 V 8.54 3.61 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 0.88 0.00 0.00 0.94 0.00 0.00 71 T 7.22 4.77 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 1.26 0.00 0.00 72 D 8.77 4.57 0.00 2.69 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 73 T 8.53 4.67 4.37 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 1.26 0.00 0.00 74 E 8.10 4.79 0.00 2.10 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 2.36 2.38 0.00 75 L 8.42 4.56 0.00 1.84 1.50 1.14 0.24 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 76 R 8.67 5.25 0.00 1.81 2.15 0.00 3.22 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 77 L 8.32 4.41 0.00 0.31 0.26 0.67 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.87 4.80 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.66 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 79 V 8.24 4.50 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 0.73 0.00 0.00 0.90 0.00 0.00 80 A 8.62 4.33 1.15 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 0.00 0.00 0.00 0.00 0.00 81 N 8.99 4.29 0.00 2.72 2.99 0.00 0.00 7.00 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 82 M 7.62 4.98 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 83 S 8.51 4.71 0.00 3.82 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 84 Q 7.70 4.32 0.00 2.22 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.01 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 85 G 8.35 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 86 R 9.00 4.74 0.00 1.85 1.99 0.00 2.90 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.57 0.00 87 T 8.07 4.96 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 1.14 0.00 0.00 *90 L 8.34 4.53 0.00 1.68 1.69 1.01 0.62 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 91 Y 8.71 5.04 0.00 3.28 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 92 C 9.29 4.32 0.00 2.21 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 93 T 7.94 4.94 3.63 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 -0.24 0.00 0.00 94 C 8.83 5.25 0.00 3.00 2.95 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 95 S 9.56 5.16 0.00 3.99 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 96 A 8.74 4.35 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 97 A 8.00 2.58 0.62 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 98 P 0.00 4.54 0.00 1.01 1.40 0.00 2.20 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 99 D 8.34 4.26 0.00 2.53 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 0.00 100 W 7.97 3.98 0.00 3.38 3.34 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 0.00 101 G 7.88 3.72 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 0.00 0.00 0.00 102 A 8.83 3.37 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 0.00 103 S 8.26 3.64 0.00 3.86 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 0.00 104 A 7.27 4.66 1.15 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 0.00 0.00 0.00 0.00 0.00 105 E 7.53 4.50 0.00 2.06 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 2.16 2.25 0.00 105A T 8.03 4.03 3.65 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 0.00 0.00 0.00 0.14 0.00 0.00 106 L 7.95 4.31 0.00 1.51 1.50 0.68 0.73 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 0.00 107 Y 8.27 4.72 0.00 2.82 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 0.00 0.00 0.00 0.00 108 F 8.96 4.58 0.00 2.66 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 0.00 109 G 9.15 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 0.00 110 S 9.03 4.62 0.00 4.09 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 0.00 111 G 8.57 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 T 8.00 4.62 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 1.27 0.00 0.00 113 R 8.88 3.97 0.00 1.62 1.42 0.00 2.21 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.15 0.00 114 L 8.98 5.09 0.00 1.77 1.53 0.91 0.83 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 0.00 115 T 7.99 4.28 4.41 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 1.09 0.00 0.00 116 V 8.32 3.91 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 0.83 0.00 0.00 0.94 0.00 0.00 116A L 7.93 4.19 0.00 1.71 1.75 1.00 0.92 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 * Residues marked with a * may have inaccurate shift predictions.