NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.6990 8.2833 119.2029 52.5449 41.2719 173.0355 4 I 4.7225 7.3161 117.2990 59.2029 40.9635 172.4324 5 T 5.0463 9.0989 123.1316 61.6407 72.4271 172.4350 6 I 4.8703 8.5797 125.8527 59.4316 40.9244 173.9641 7 Y 4.8509 9.3611 128.0750 57.5654 38.0950 173.6208 8 H 5.0843 9.5023 125.2606 54.2148 32.9516 172.9875 9 N 4.6312 8.3407 123.4802 51.0067 39.0446 172.5416 10 P 4.1612 0.0000 0.0000 64.8726 32.1597 177.5057 11 A 4.2596 7.9238 123.6915 50.7349 17.3471 177.0014 *13 G 4.0668 7.7326 112.8655 45.3124 0.0000 174.0017 14 T 3.8854 7.9070 116.3535 66.4861 68.3749 176.5195 15 S 4.1696 8.0432 114.5267 61.3487 62.5843 176.0994 16 R 4.0176 8.0590 120.2708 59.5452 29.8565 178.5715 17 N 4.5572 8.6019 116.4917 56.6769 38.0311 177.5990 18 T 3.7618 8.0653 117.0368 66.5384 68.5976 176.3106 19 L 3.9451 8.0708 122.2441 58.3930 42.0099 178.9751 20 E 4.0937 8.3879 118.3929 59.5771 29.1711 179.2388 21 M 3.5004 7.7957 118.2516 57.9706 32.1600 178.3954 22 I 3.7878 7.7890 120.0889 64.6991 37.3049 178.6713 23 R 4.2908 7.9774 119.9128 58.6558 29.8341 178.2108 24 N 4.5542 8.4395 115.9896 55.0958 38.7838 175.8216 25 S 4.7145 7.9291 113.9585 58.9627 63.6799 174.6809 26 G 3.9923 8.4295 111.4372 45.4820 0.0000 173.2361 27 T 4.5251 7.5656 108.6158 59.2327 71.3972 172.5257 28 E 4.3439 8.6491 125.5306 54.5287 29.8914 174.0717 29 P 4.7219 0.0000 0.0000 62.2926 33.1566 175.9987 30 T 4.0202 8.8071 118.3552 63.7768 69.3985 173.5948 31 I 4.6840 8.3257 127.3795 59.7061 39.0997 174.9614 32 I 4.2424 8.5060 128.9024 59.5948 39.4232 175.6338 33 L 4.8065 8.7796 129.9832 52.8597 39.9664 176.7697 34 Y 4.4767 8.4528 123.0514 59.8034 37.8790 178.3339 35 L 3.8827 7.0845 119.9532 56.6347 41.7699 177.8551 36 E 4.4870 7.3526 112.9815 56.3834 32.0327 176.0431 37 N 5.0652 8.0800 115.6932 50.5507 38.9147 172.1588 38 P 4.6801 0.0000 0.0000 61.6040 32.6348 175.5081 39 P 4.5142 0.0000 0.0000 62.5214 31.9727 176.7746 40 S 4.3983 8.3752 114.9233 57.9308 65.0109 175.2875 41 R 3.8487 8.4245 121.5945 59.7964 29.8133 178.1093 42 D 4.3324 8.0666 118.0852 57.3570 40.8616 178.3288 43 E 3.9204 7.9429 119.8643 59.2114 29.6441 178.6411 44 L 3.8761 8.3538 120.8505 58.0230 42.1610 178.9659 45 V 3.5415 7.9963 118.4668 65.8948 31.3650 177.9970 46 K 3.9467 8.1031 119.2924 59.3354 32.0453 178.6399 47 L 3.9310 8.2909 119.6998 58.0413 41.4458 179.6140 48 I 3.6393 7.8912 119.3343 64.2761 36.7945 178.2921 49 A 4.0024 7.7997 120.4173 55.4709 18.3217 179.2361 50 D 4.4462 8.1074 116.0792 57.4042 40.9816 178.5409 51 M 4.4909 7.5917 119.7255 55.3114 31.9330 177.1657 52 G 3.8883 7.6797 106.7287 46.0167 0.0000 172.9796 53 I 4.5435 7.4298 111.5617 58.0184 40.4287 174.9759 54 S 4.4278 8.2331 115.2634 57.5852 64.1236 175.1191 55 V 3.7086 8.4364 120.5127 66.3916 31.2453 178.2496 56 R 3.9732 8.0441 117.5949 59.2428 29.7687 178.0485 57 A 4.0713 7.9173 119.7690 54.4296 18.5404 178.0582 58 L 4.0990 7.8757 118.5944 56.4877 42.6396 176.2798 59 L 4.6059 7.6252 119.3534 54.9352 42.1384 176.6441 60 R 4.1037 8.6973 125.5369 55.7846 30.4695 176.4686 61 K 2.6503 8.2313 125.6575 55.4824 34.3336 176.4981 62 N 4.9595 8.2531 114.1149 55.1036 35.6158 175.3729 63 V 4.5509 6.9778 109.9686 58.4822 36.5333 175.6867 64 E 4.1097 9.0145 123.1211 58.4876 29.4344 177.7086 65 P 4.0753 0.0000 0.0000 65.8537 31.0648 177.6223 66 Y 3.7930 7.9220 118.8008 60.4219 38.6561 177.7718 67 E 4.0460 8.2237 119.3578 59.8277 29.4824 179.4952 68 Q 4.0906 8.0258 116.4562 58.4186 28.9654 177.3044 69 L 4.0265 7.7801 115.7367 54.3741 42.1465 176.7837 70 G 3.8401 7.6408 107.0113 46.6408 0.0000 175.7716 71 L 3.4856 7.1647 119.9301 55.7330 41.7526 178.7349 72 A 4.2579 7.1828 120.4628 54.1590 18.6025 177.9028 73 E 4.2225 7.8097 114.9260 56.3979 30.5343 177.3036 74 D 4.7564 8.3571 123.2434 53.3993 39.7043 175.9796 75 K 4.4472 7.6248 114.7557 55.3501 34.2087 176.2554 76 F 5.0652 7.9106 117.1795 55.1551 42.2522 175.7123 77 T 4.2655 9.1192 116.4359 61.2070 70.7463 175.4053 78 D 4.4270 8.6552 121.2894 58.0152 40.8493 179.0901 79 D 4.3894 8.0709 118.5896 57.1282 40.8626 178.6349 80 Q 3.8550 7.8880 118.7887 59.0246 28.7737 178.9595 81 L 4.1895 8.1255 119.8836 57.7575 41.6657 179.5183 82 I 3.7129 8.1314 120.2045 64.7204 37.1006 178.2983 83 D 4.3647 8.1631 119.4757 57.1674 40.5599 178.8523 84 F 4.5114 8.1024 118.5527 60.8640 38.7484 177.4877 85 M 4.1758 8.3600 118.3760 58.5351 31.5343 178.8806 86 L 4.0464 7.8621 118.1045 57.7474 41.8870 179.1157 87 Q 4.2820 8.0740 116.6693 57.3441 30.2426 176.3419 88 H 4.9629 8.2043 116.8222 53.2518 29.7893 172.1329 89 P 4.6486 0.0000 0.0000 64.2148 31.8660 178.6390 90 I 3.8812 7.8143 117.3554 63.3841 38.1281 176.6794 91 L 4.1386 8.3731 120.2644 56.9721 41.6553 176.3862 92 I 4.2354 7.6909 120.5345 60.4105 37.2472 175.7842 93 N 4.7397 8.8075 127.1145 53.7205 39.8028 173.8283 94 R 4.7379 8.6380 117.6805 54.0882 32.8054 172.8837 95 P 4.8868 0.0000 0.0000 61.6409 33.7976 174.4486 96 I 4.7358 8.1888 122.0529 60.1267 39.2485 174.6656 97 V 4.9217 8.7547 126.5763 61.0157 34.6760 174.0934 98 V 4.9600 8.9600 128.0133 61.4111 34.1458 174.4506 99 T 5.3672 8.7675 116.9488 57.9199 72.2776 173.1225 100 P 4.3292 0.0000 0.0000 65.3365 31.4051 178.1460 101 L 4.1288 7.6883 117.4799 54.9715 41.9925 177.1309 102 G 3.9899 6.3600 104.8044 45.5656 0.0000 170.3818 103 T 5.1921 7.7115 114.8084 61.8608 72.0455 173.8197 104 R 4.6066 8.8566 123.5018 54.2359 35.1543 174.3546 105 L 4.4256 8.5199 124.6041 54.6440 42.2064 177.2102 106 C 4.4981 8.5416 129.3070 58.4508 25.9694 173.7226 107 R 4.4178 7.5655 116.3795 53.3236 32.4092 174.2456 108 P 4.5990 0.0000 0.0000 61.6738 32.6809 177.4880 109 S 4.3853 8.9271 115.2114 60.9385 62.6430 175.8850 110 E 4.0884 8.0894 119.2628 57.6349 29.4098 178.4873 111 V 3.6017 7.8708 120.5845 66.3216 31.4208 177.9941 112 V 3.6356 7.9432 118.5588 64.4888 30.5775 178.2502 113 L 4.0224 7.8698 119.6636 57.5639 41.0887 179.0197 114 D 4.6219 8.1633 118.8885 56.2940 40.8404 177.0542 115 I 4.2861 7.4399 109.6841 60.2780 38.4959 175.4763 116 L 4.2156 7.2236 123.2497 54.5767 41.9485 177.1017 117 Q 4.1053 8.8237 123.3571 58.3359 29.0548 176.3012 118 D 4.8201 7.6997 115.8488 52.0846 42.6091 176.2563 119 A 4.1670 8.3026 125.6647 51.7765 17.7703 177.4500 120 Q 4.2113 8.5351 119.0065 56.5804 29.1948 178.2673 121 K 3.8220 8.9119 121.1304 57.6647 32.5358 176.5153 122 G 4.1099 7.0529 103.3236 45.5121 0.0000 173.1379 123 A 4.6432 8.9428 121.8176 52.3729 19.2475 177.2941 124 F 4.6894 9.1966 121.7360 56.6256 42.7031 173.7943 125 T 4.8691 7.3620 121.7456 61.2245 71.2009 174.2887 126 K 4.3154 9.0157 126.5342 56.0705 32.7931 177.9167 127 E 3.8779 9.0632 119.1326 59.0926 29.4306 177.6565 128 D 4.5505 8.0809 116.9332 53.1738 39.7425 177.0410 129 G 3.8844 8.1965 108.7572 45.2528 0.0000 173.7440 130 E 4.0699 8.3906 120.9498 55.8475 29.6708 176.5567 131 K 4.3878 8.5946 124.3365 56.4359 33.1220 176.0240 132 V 4.2638 9.0390 122.5784 63.9788 33.2529 175.6950 133 V 4.9121 7.4892 112.1618 59.3603 35.1236 175.5326 134 D 5.1231 8.5975 123.5475 52.0866 41.1037 177.0602 135 E 4.0387 8.6300 117.5193 59.3829 29.4427 178.5113 136 A 4.0460 7.9731 120.0812 53.3991 18.6969 178.0715 137 G 4.0067 8.2494 103.7625 44.7863 0.0000 173.6306 138 K 4.2113 8.5522 122.1940 55.3023 32.9263 176.4622 139 R 4.4602 8.4929 125.1936 56.4999 30.7287 176.6660 140 L 4.2919 8.7204 121.4855 54.9595 41.7493 176.4722 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 3 N 8.28 4.70 0.00 2.76 2.81 0.00 0.00 6.84 6.93 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 4 I 7.32 4.72 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.78 0.95 0.00 0.00 5 T 9.10 5.05 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 0.91 0.00 0.00 6 I 8.58 4.87 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.94 0.92 0.00 0.00 7 Y 9.36 4.85 0.00 2.90 2.88 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 8 H 9.50 5.08 0.00 3.26 3.19 0.00 5.73 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 9 N 8.34 4.63 0.00 2.95 2.80 0.00 0.00 7.19 7.37 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 10 P 0.00 4.16 0.00 2.05 2.12 0.00 3.61 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 11 A 7.92 4.26 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 *13 G 7.73 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 14 T 7.91 3.89 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 1.25 0.00 0.00 15 S 8.04 4.17 0.00 3.97 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 0.00 16 R 8.06 4.02 0.00 2.09 2.04 0.00 3.23 0.00 0.00 3.51 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.79 0.00 17 N 8.60 4.56 0.00 2.93 3.01 0.00 0.00 7.10 6.60 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 18 T 8.07 3.76 4.40 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 1.19 0.00 0.00 19 L 8.07 3.95 0.00 1.64 1.80 0.85 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.39 4.09 0.00 2.36 2.28 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 2.68 2.63 0.00 21 M 7.80 3.50 0.00 1.63 1.85 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.53 0.00 22 I 7.79 3.79 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 1.48 0.74 0.92 0.00 0.00 23 R 7.98 4.29 0.00 2.04 2.00 0.00 3.33 0.00 0.00 3.20 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.61 0.00 24 N 8.44 4.55 0.00 3.05 3.07 0.00 0.00 6.87 7.51 0.00 0.00 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 S 7.93 4.71 0.00 4.25 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 26 G 8.43 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 27 T 7.57 4.53 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 28 E 8.65 4.34 0.00 1.92 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 2.24 2.33 0.00 29 P 0.00 4.72 0.00 2.07 2.00 0.00 3.79 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 30 T 8.81 4.02 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 1.14 0.00 0.00 31 I 8.33 4.68 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.69 0.93 0.00 0.00 32 I 8.51 4.24 1.34 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.54 0.97 0.00 0.00 33 L 8.78 4.81 0.00 1.66 1.56 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 8.45 4.48 0.00 3.43 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.08 3.88 0.00 1.37 1.59 0.73 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 36 E 7.35 4.49 0.00 2.15 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 2.29 2.31 0.00 37 N 8.08 5.07 0.00 2.72 2.80 0.00 0.00 7.03 8.24 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 38 P 0.00 4.68 0.00 2.24 2.17 0.00 3.91 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 2.04 2.00 0.00 39 P 0.00 4.51 0.00 2.17 2.08 0.00 3.85 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.70 0.00 40 S 8.38 4.40 0.00 4.08 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 41 R 8.42 3.85 0.00 1.89 1.96 0.00 3.17 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 42 D 8.07 4.33 0.00 2.73 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 43 E 7.94 3.92 0.00 2.07 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 0.00 2.41 2.38 0.00 44 L 8.35 3.88 0.00 1.75 1.74 0.79 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.00 3.54 2.21 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 0.93 0.00 0.00 0.99 0.00 0.00 46 K 8.10 3.95 0.00 1.88 1.92 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.47 7.81 47 L 8.29 3.93 0.00 1.70 1.59 0.43 0.88 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 48 I 7.89 3.64 1.97 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 1.41 0.72 0.93 0.00 0.00 49 A 7.80 4.00 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 50 D 8.11 4.45 0.00 2.78 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 51 M 7.59 4.49 0.00 1.96 2.26 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.50 0.00 52 G 7.68 3.89 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 0.00 0.00 0.00 53 I 7.43 4.54 1.86 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 1.45 0.76 0.94 0.00 0.00 54 S 8.23 4.43 0.00 4.02 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 55 V 8.44 3.71 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 1.08 0.00 0.00 0.94 0.00 0.00 56 R 8.04 3.97 0.00 1.97 1.95 0.00 3.29 0.00 0.00 3.42 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 57 A 7.92 4.07 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 58 L 7.88 4.10 0.00 1.72 1.81 0.87 0.49 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 59 L 7.63 4.61 0.00 1.82 1.72 1.03 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 60 R 8.70 4.10 0.00 1.78 1.81 0.00 3.27 0.00 0.00 3.45 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 61 K 8.23 2.65 0.00 1.40 1.08 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.80 1.13 7.81 62 N 8.25 4.96 0.00 2.78 2.91 0.00 0.00 7.06 7.68 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 63 V 6.98 4.55 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 0.80 0.00 0.00 1.00 0.00 0.00 64 E 9.01 4.11 0.00 2.02 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 2.36 2.24 0.00 65 P 0.00 4.08 0.00 2.14 2.05 0.00 3.68 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 2.07 2.02 0.00 66 Y 7.92 3.79 0.00 2.95 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 67 E 8.22 4.05 0.00 2.24 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 2.40 2.47 0.00 68 Q 8.03 4.09 0.00 1.96 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 69 L 7.78 4.03 0.00 1.21 1.03 0.16 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.64 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 71 L 7.16 3.49 0.00 0.27 1.02 0.53 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.18 4.26 1.34 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 0.00 0.00 73 E 7.81 4.22 0.00 2.19 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 2.36 2.27 0.00 74 D 8.36 4.76 0.00 2.67 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 75 K 7.62 4.45 0.00 0.79 1.24 0.00 1.62 0.00 0.00 1.91 0.00 0.00 2.74 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.16 1.27 7.81 76 F 7.91 5.07 0.00 3.04 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 77 T 9.12 4.27 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 1.22 0.00 0.00 78 D 8.66 4.43 0.00 2.76 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 79 D 8.07 4.39 0.00 2.75 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 80 Q 7.89 3.86 0.00 2.34 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 81 L 8.13 4.19 0.00 1.92 1.77 1.00 0.63 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 82 I 8.13 3.71 1.98 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 1.51 1.01 0.89 0.00 0.00 83 D 8.16 4.36 0.00 2.51 2.55 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 84 F 8.10 4.51 0.00 3.21 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 85 M 8.36 4.18 0.00 2.09 2.30 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.63 0.00 86 L 7.86 4.05 0.00 1.77 1.73 0.91 0.82 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 87 Q 8.07 4.28 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.19 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 88 H 8.20 4.96 0.00 3.28 3.19 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.65 0.00 2.26 2.25 0.00 3.92 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.09 0.00 90 I 7.81 3.88 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.79 0.96 0.00 0.00 91 L 8.37 4.14 0.00 1.91 1.77 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 92 I 7.69 4.24 1.83 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.51 0.62 0.00 0.00 93 N 8.81 4.74 0.00 2.85 2.67 0.00 0.00 7.04 8.51 0.00 0.00 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 R 8.64 4.74 0.00 1.78 1.66 0.00 3.38 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.89 0.00 95 P 0.00 4.89 0.00 2.19 2.29 0.00 4.01 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 2.05 1.87 0.00 96 I 8.19 4.74 1.78 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.45 0.87 0.00 0.00 97 V 8.75 4.92 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 0.94 0.00 0.00 0.95 0.00 0.00 98 V 8.96 4.96 2.14 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 1.05 0.00 0.00 1.07 0.00 0.00 99 T 8.77 5.37 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 1.24 0.00 0.00 100 P 0.00 4.33 0.00 2.06 2.16 0.00 3.75 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 2.15 2.11 0.00 101 L 7.69 4.13 0.00 1.76 1.72 0.91 0.81 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 0.00 102 G 6.36 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 T 7.71 5.19 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 0.00 104 R 8.86 4.61 0.00 1.66 1.73 0.00 3.27 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 1.53 1.69 0.00 105 L 8.52 4.43 0.00 1.59 1.57 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 106 C 8.54 4.50 0.00 2.88 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 0.00 107 R 7.57 4.42 0.00 1.73 1.82 0.00 3.46 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 108 P 0.00 4.60 0.00 2.45 2.20 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 109 S 8.93 4.39 0.00 4.06 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 0.00 110 E 8.09 4.09 0.00 2.17 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 0.00 2.36 2.31 0.00 111 V 7.87 3.60 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 1.03 0.00 0.00 0.95 0.00 0.00 112 V 7.94 3.64 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 0.70 0.00 0.00 0.89 0.00 0.00 113 L 7.87 4.02 0.00 1.76 1.73 0.89 0.70 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 0.00 114 D 8.16 4.62 0.00 2.74 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 0.00 115 I 7.44 4.29 1.86 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 1.28 0.61 0.90 0.00 0.00 116 L 7.22 4.22 0.00 1.78 1.62 0.84 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 8.82 4.11 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 118 D 7.70 4.82 0.00 2.77 2.57 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 0.00 119 A 8.30 4.17 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 0.00 120 Q 8.54 4.21 0.00 2.11 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 121 K 8.91 3.82 0.00 1.82 1.87 0.00 1.75 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.46 7.81 122 G 7.05 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 0.00 0.00 0.00 0.00 123 A 8.94 4.64 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 0.00 124 F 9.20 4.69 0.00 3.19 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 0.00 125 T 7.36 4.87 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 1.16 0.00 0.00 126 K 9.02 4.32 0.00 1.94 1.80 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.70 1.65 7.81 127 E 9.06 3.88 0.00 2.06 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 0.00 2.50 2.27 0.00 128 D 8.08 4.55 0.00 2.80 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 0.00 129 G 8.20 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 0.00 130 E 8.39 4.07 0.00 2.12 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 2.34 2.42 0.00 131 K 8.59 4.39 0.00 1.75 1.76 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.41 7.81 132 V 9.04 4.26 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 1.11 0.00 0.00 1.15 0.00 0.00 133 V 7.49 4.91 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 1.04 0.00 0.00 134 D 8.60 5.12 0.00 2.87 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 0.00 135 E 8.63 4.04 0.00 1.99 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 2.32 2.26 0.00 136 A 7.97 4.05 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 0.00 137 G 8.25 4.01 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 0.00 0.00 0.00 138 K 8.55 4.21 0.00 1.81 1.84 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.41 7.81 139 R 8.49 4.46 0.00 1.85 1.86 0.00 3.42 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 140 L 8.72 4.29 0.00 1.62 1.58 0.94 0.70 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 * Residues marked with a * may have inaccurate shift predictions.