NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3986 0.0000 0.0000 63.2478 32.2718 174.7910 3 T 3.5189 7.4244 109.5975 59.7463 70.7363 174.0269 4 I 3.4866 8.4790 126.3107 64.5410 38.7550 178.1284 5 N 4.1522 8.4830 117.9746 57.1741 38.5779 176.2341 6 Q 3.9951 8.2426 119.1814 59.4180 28.8510 179.5800 7 L 4.1557 7.8351 118.9894 57.5293 41.2901 179.9945 8 V 3.5578 7.7573 118.0773 66.5682 31.6357 177.8591 9 R 4.0392 7.8706 116.2932 58.9776 30.0751 178.7698 10 K 4.1212 8.6979 119.6849 57.9331 32.6556 178.5910 11 G 4.4826 7.5412 106.2689 44.5920 0.0000 172.7914 12 R 4.1428 8.2128 118.0551 55.2811 30.7297 176.2233 13 E 4.1481 8.6152 124.1809 54.9743 30.2922 176.6283 14 K 4.1968 8.4819 127.6764 56.8501 32.9520 174.9461 15 V 3.9241 8.2377 109.3131 62.9454 32.9259 174.3525 16 R 3.6753 7.8278 129.8673 55.8100 27.6169 174.9393 17 K 4.3819 8.1500 123.0551 55.2497 34.1184 177.0354 18 K 4.1553 8.3793 121.4468 55.9028 32.6721 177.1881 19 S 4.2580 8.5552 118.4692 58.4971 62.9238 173.6546 20 K 4.4670 8.4310 123.2709 56.1736 32.1106 177.2961 21 V 4.1558 7.7064 120.0356 60.4631 31.9591 174.1361 22 P 4.6326 0.0000 0.0000 61.7210 30.2900 176.7840 23 A 4.1881 7.8067 118.0096 51.0647 19.6032 178.0558 24 L 3.2701 7.3196 119.5504 55.2186 41.6532 174.2864 25 K 3.9482 9.4781 112.7214 56.9611 29.7936 177.6784 26 G 4.1180 7.3406 110.3671 46.6024 0.0000 174.5811 27 A 3.6868 7.9188 121.0076 50.0273 18.3710 175.5983 28 P 3.9963 0.0000 0.0000 64.8909 31.6324 176.8179 29 F 5.8165 7.3855 113.4926 55.0158 43.3647 174.2973 30 R 4.6259 8.5935 121.3343 54.3104 33.0614 174.1761 31 R 4.5397 8.9295 127.4474 56.7199 31.4352 175.1695 32 G 4.5013 9.4078 115.0033 44.5589 0.0000 170.9290 33 V 5.0859 8.2795 117.5246 61.4718 35.6954 174.4525 34 C 5.7734 9.0483 123.0249 58.4072 29.4543 174.3360 35 T 4.6156 8.5685 110.5126 61.4343 70.4854 173.7948 36 V 4.5484 7.5273 120.8324 61.0756 35.4470 174.0932 37 V 4.7772 7.9110 124.1007 61.5711 30.8224 174.4779 38 R 3.9607 8.2797 119.9427 56.3678 31.2887 175.2144 39 T 4.8149 7.6300 111.9659 60.3749 66.1645 172.9333 40 V 3.9676 7.6401 117.8608 61.9832 33.6730 176.9433 41 T 4.8854 8.3041 110.8176 57.8152 70.8761 171.9417 42 P 4.2575 0.0000 0.0000 63.5938 32.0874 175.3186 43 K 4.0238 8.2842 119.8290 57.6156 33.4581 177.5713 44 K 3.7378 9.9367 112.7782 58.4450 32.9418 174.9244 45 P 4.9680 0.0000 0.0000 62.6824 32.6811 175.3004 46 N 5.1473 8.0637 114.4231 52.5872 41.8589 174.2680 47 S 4.5851 8.2213 115.7000 56.6934 66.4458 173.6069 48 A 4.2250 7.5258 124.0374 52.1066 23.0630 174.6408 49 L 5.0379 8.3294 113.0806 52.9366 41.7434 175.4461 50 R 3.7706 8.4332 118.7985 55.7657 30.9460 178.0437 51 K 4.1605 8.6054 124.5225 56.6056 30.5782 176.2871 52 V 4.5470 7.6944 123.5855 61.2727 33.8527 174.3900 53 A 4.8562 8.4886 124.8076 50.2150 23.1156 174.9141 54 K 4.7379 8.8103 122.4576 55.1962 34.2434 175.5386 55 V 5.4751 9.5239 127.1136 60.0933 34.9128 174.0207 56 R 4.6573 8.5553 128.2577 55.4080 30.9442 175.5937 57 L 4.7386 9.3308 127.8482 54.0967 44.2019 176.4594 58 T 4.6761 8.0797 111.9956 61.4957 68.0282 175.0233 59 S 5.6647 9.0423 132.1000 58.4181 63.2658 177.7392 60 G 4.3697 7.9838 112.7636 46.5187 0.0000 174.2702 61 Y 4.3088 8.7855 117.6602 57.7462 39.5166 175.0910 62 E 5.3996 8.5746 120.6473 54.0673 31.4845 174.9307 63 V 4.3563 8.1722 120.4041 59.9727 35.5026 175.2175 64 T 4.7388 8.2702 111.5807 60.3264 69.7661 174.0666 65 A 5.0445 8.7804 131.5696 51.5928 21.5416 174.6443 66 Y 4.8299 8.5441 118.5500 56.1390 41.7942 174.8041 67 I 4.3461 8.8913 128.9322 59.3573 37.2598 174.1736 68 P 4.2165 0.0000 0.0000 62.5765 32.0748 176.3570 69 G 3.9827 8.6256 104.8750 44.9220 0.0000 172.7373 70 E 4.1339 8.6387 119.6642 55.3681 29.1535 175.8848 71 G 4.0048 8.6518 118.6793 45.1215 0.0000 170.5981 72 H 4.6073 8.1035 113.0241 55.4648 31.7384 175.2829 73 N 4.5592 8.6780 117.8884 51.4955 35.6760 174.5198 74 L 3.6464 9.2211 122.2928 54.1426 41.9523 173.3533 75 Q 4.4638 9.7615 121.4911 53.5039 32.8777 172.8819 76 E 3.9068 8.7031 121.2733 61.0481 28.9330 175.9066 77 H 4.2233 8.6664 121.5510 55.3836 28.5791 176.3933 78 S 5.0805 9.0686 117.7067 58.4286 64.2592 173.4719 79 V 4.4835 8.7875 122.7179 61.7465 32.8593 174.8652 80 V 4.9106 8.7149 127.4193 61.0227 35.4250 173.5062 81 L 5.2252 8.3641 124.8519 53.3226 44.8204 174.8207 82 I 4.9547 8.6628 126.5351 60.2237 39.2012 175.7108 83 R 4.6756 9.6532 125.9426 58.1479 31.7717 176.6051 84 G 3.7940 8.6108 102.8793 44.9943 0.0000 173.0731 85 G 3.8623 8.3170 107.6484 45.1596 0.0000 174.2089 86 R 4.4140 8.1675 120.5454 54.5562 31.9828 175.2502 87 V 4.3037 7.6928 116.5562 60.9087 32.7237 175.8356 88 K 4.1988 8.7761 127.6923 57.7846 32.4055 176.5712 89 D 4.6179 8.0577 117.6229 56.0036 41.9495 175.8430 90 L 4.7683 7.6354 117.9836 52.1116 44.7146 174.7940 91 P 4.4749 0.0000 0.0000 63.0761 32.2540 177.6700 92 G 4.2731 8.7893 110.9735 46.4703 0.0000 174.6013 93 V 4.4966 8.0373 120.2643 62.6768 31.4862 176.0187 94 R 4.8756 8.8271 124.1046 56.0663 32.8792 174.1248 95 Y 4.9404 8.1996 115.8254 57.0566 42.9952 173.4368 96 H 5.4263 9.0042 116.5832 54.2800 33.0505 172.9753 97 I 4.6080 8.1670 121.1865 60.6532 38.7572 176.6068 98 V 4.0830 8.1172 126.0455 60.4418 30.9200 174.5871 99 R 3.7919 8.0833 123.4975 57.1701 30.8027 177.0257 100 G 3.8979 8.8416 108.7129 45.3102 0.0000 173.3802 101 V 4.1517 6.7568 117.1233 61.8097 34.9357 175.4777 102 Y 3.7242 8.5362 124.1530 59.4128 35.5751 171.3223 103 D 4.6312 9.5624 126.1780 56.0128 40.6580 175.1626 104 A 4.7329 8.2506 124.2140 50.3568 19.6744 176.7212 105 A 4.6106 8.4021 125.9071 51.3977 19.9129 177.3239 106 G 3.8909 8.3474 108.4899 46.0422 0.0000 173.1880 107 V 4.0755 8.2258 121.2451 62.2442 32.5046 175.4814 108 K 4.2158 8.6204 128.0070 57.6134 32.5163 177.2615 109 D 4.6422 9.1195 123.2514 53.9773 38.3996 174.4816 110 R 3.9453 7.3661 118.3209 56.5237 29.4966 175.6699 111 K 4.2989 8.5126 125.3490 56.8543 33.4256 177.2897 112 K 4.4265 7.6876 116.4657 55.6498 34.4703 175.9831 113 S 3.6130 8.2642 116.2621 59.7848 59.5185 172.4604 114 R 4.3864 7.3384 118.5517 56.7458 31.6179 179.1853 115 S 4.0902 8.2608 112.3249 61.1943 62.4811 174.5989 116 K 4.2986 7.9356 118.5000 56.5398 32.8777 177.0375 117 Y 3.3302 8.1700 114.4090 59.1375 36.1052 170.9979 118 G 4.0293 7.3891 108.2474 46.7942 0.0000 174.9159 119 T 4.4853 7.3127 116.0723 61.2325 70.2477 176.0415 120 K 3.9708 8.5796 125.8717 56.1328 32.7141 176.6579 121 K 4.0012 8.4829 123.7217 55.7768 32.6003 174.8823 122 P 4.4372 0.0000 0.0000 61.9191 32.1576 176.1275 123 K 4.0075 8.4063 122.0453 56.5795 33.1974 177.4559 124 E 4.0388 8.4982 124.4666 56.2803 27.4270 175.2282 125 A 3.3505 7.5743 126.9776 51.5929 16.6593 177.9749 *126 A 4.1172 8.3980 122.8292 53.3246 18.9464 176.3194 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 2 P 0.00 4.40 0.00 2.06 2.09 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 3 T 7.42 3.52 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 4 I 8.48 3.49 1.87 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 1.30 1.37 0.91 0.00 0.00 5 N 8.48 4.15 0.00 2.82 2.85 0.00 0.00 7.01 7.12 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 6 Q 8.24 4.00 0.00 2.36 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.55 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 7 L 7.84 4.16 0.00 1.86 1.73 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.76 3.56 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 0.83 0.00 0.00 0.98 0.00 0.00 9 R 7.87 4.04 0.00 1.94 1.91 0.00 3.26 0.00 0.00 3.22 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 10 K 8.70 4.12 0.00 1.81 1.86 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.49 7.81 11 G 7.54 4.48 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 0.00 12 R 8.21 4.14 0.00 1.81 1.88 0.00 3.37 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 1.62 1.55 0.00 13 E 8.62 4.15 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 14 K 8.48 4.20 0.00 1.75 1.75 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.41 7.81 15 V 8.24 3.92 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 0.75 0.00 0.00 0.93 0.00 0.00 16 R 7.83 3.68 0.00 1.93 1.97 0.00 3.23 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 17 K 8.15 4.38 0.00 1.89 1.78 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.44 7.81 18 K 8.38 4.16 0.00 1.75 1.79 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.49 7.81 19 S 8.56 4.26 0.00 3.82 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 20 K 8.43 4.47 0.00 1.67 1.71 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.34 7.81 21 V 7.71 4.16 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 0.92 0.00 0.00 0.76 0.00 0.00 22 P 0.00 4.63 0.00 2.13 2.13 0.00 3.93 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 2.16 2.15 0.00 23 A 7.81 4.19 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 24 L 7.32 3.27 0.00 1.91 1.63 0.85 0.10 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 25 K 9.48 3.95 0.00 1.87 1.86 0.00 1.77 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.42 7.81 26 G 7.34 4.12 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 0.00 0.00 0.00 27 A 7.92 3.69 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 28 P 0.00 4.00 0.00 1.27 1.51 0.00 3.52 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 29 F 7.39 5.82 0.00 2.93 2.98 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 30 R 8.59 4.63 0.00 1.93 1.77 0.00 3.37 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 31 R 8.93 4.54 0.00 2.17 1.90 0.00 2.96 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 32 G 9.41 4.50 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 0.00 0.00 0.00 33 V 8.28 5.09 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 1.10 0.00 0.00 0.91 0.00 0.00 34 C 9.05 5.77 0.00 2.94 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 35 T 8.57 4.62 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 36 V 7.53 4.55 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 0.97 0.00 0.00 0.93 0.00 0.00 37 V 7.91 4.78 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 0.89 0.00 0.00 0.95 0.00 0.00 38 R 8.28 3.96 0.00 1.92 1.81 0.00 3.14 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.64 0.00 39 T 7.63 4.81 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 40 V 7.64 3.97 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 0.88 0.00 0.00 41 T 8.30 4.89 4.36 0.00 0.00 0.00 0.00 0.00 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 42 P 0.00 4.26 0.00 2.20 2.36 0.00 3.84 0.00 0.00 3.57 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 43 K 8.28 4.02 0.00 1.88 1.41 0.00 1.85 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.35 1.35 7.81 44 K 9.94 3.74 0.00 1.81 1.49 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.49 7.81 45 P 0.00 4.97 0.00 2.20 2.10 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.96 0.00 46 N 8.06 5.15 0.00 2.70 2.74 0.00 0.00 6.93 7.57 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 47 S 8.22 4.59 0.00 3.80 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 48 A 7.53 4.23 1.23 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 0.00 0.00 0.00 49 L 8.33 5.04 0.00 1.47 1.55 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.43 3.77 0.00 1.51 1.36 0.00 3.18 0.00 0.00 3.20 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 51 K 8.61 4.16 0.00 1.63 1.55 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.40 7.81 52 V 7.69 4.55 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 0.77 0.00 0.00 0.67 0.00 0.00 53 A 8.49 4.86 1.22 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 54 K 8.81 4.74 0.00 1.83 1.66 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.45 7.81 55 V 9.52 5.48 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 1.13 0.00 0.00 0.93 0.00 0.00 56 R 8.56 4.66 0.00 1.96 1.78 0.00 3.26 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 57 L 9.33 4.74 0.00 1.68 1.55 0.99 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.08 4.68 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 1.28 0.00 0.00 59 S 9.04 5.66 0.00 4.02 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 60 G 7.98 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 0.00 0.00 0.00 0.00 61 Y 8.79 4.31 0.00 2.78 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 62 E 8.57 5.40 0.00 1.92 1.82 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 2.17 2.27 0.00 63 V 8.17 4.36 1.82 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 0.46 0.00 0.00 0.49 0.00 0.00 64 T 8.27 4.74 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 1.22 0.00 0.00 65 A 8.78 5.04 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 66 Y 8.54 4.83 0.00 2.98 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 67 I 8.89 4.35 1.92 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 1.32 0.76 0.91 0.00 0.00 68 P 0.00 4.22 0.00 1.64 1.72 0.00 3.67 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 69 G 8.63 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 70 E 8.64 4.13 0.00 1.99 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 2.30 2.40 0.00 71 G 8.65 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.10 4.61 0.00 3.25 3.27 0.00 5.52 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.68 4.56 0.00 2.83 2.12 0.00 0.00 6.02 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 74 L 9.22 3.65 0.00 1.87 1.77 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 9.76 4.46 0.00 2.06 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.84 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 76 E 8.70 3.91 0.00 1.95 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 2.43 2.51 0.00 77 H 8.67 4.22 0.00 3.24 3.68 0.00 5.91 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 9.07 5.08 0.00 3.76 3.82 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 79 V 8.79 4.48 2.20 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 0.80 0.00 0.00 0.85 0.00 0.00 80 V 8.71 4.91 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 0.79 0.00 0.00 0.98 0.00 0.00 81 L 8.36 5.23 0.00 1.30 1.23 0.69 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.66 4.95 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.78 1.20 0.00 0.00 83 R 9.65 4.68 0.00 1.88 2.02 0.00 3.30 0.00 0.00 3.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.06 0.00 84 G 8.61 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 0.00 0.00 0.00 85 G 8.32 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 86 R 8.17 4.41 0.00 2.06 1.93 0.00 3.02 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 87 V 7.69 4.30 2.23 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 1.21 0.00 0.00 1.20 0.00 0.00 88 K 8.78 4.20 0.00 1.75 1.83 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.50 7.81 89 D 8.06 4.62 0.00 2.87 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 90 L 7.64 4.77 0.00 1.68 1.52 0.75 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.47 0.00 2.19 1.98 0.00 3.70 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 2.12 2.09 0.00 92 G 8.79 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 0.00 0.00 0.00 0.00 93 V 8.04 4.50 2.29 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 1.37 0.00 0.00 1.02 0.00 0.00 94 R 8.83 4.88 0.00 1.72 1.64 0.00 3.23 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.92 0.00 95 Y 8.20 4.94 0.00 2.90 2.86 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 96 H 9.00 5.43 0.00 3.07 3.14 0.00 5.80 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 97 I 8.17 4.61 1.88 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 1.15 0.56 0.91 0.00 0.00 98 V 8.12 4.08 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 0.74 0.00 0.00 0.76 0.00 0.00 99 R 8.08 3.79 0.00 1.68 1.87 0.00 3.41 0.00 0.00 3.33 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.40 0.00 100 G 8.84 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 0.00 0.00 0.00 101 V 6.76 4.15 1.78 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 0.05 0.00 0.00 0.75 0.00 0.00 102 Y 8.54 3.72 0.00 3.24 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 0.00 103 D 9.56 4.63 0.00 2.95 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 0.00 104 A 8.25 4.73 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 0.00 105 A 8.40 4.61 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 0.00 106 G 8.35 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 0.00 107 V 8.23 4.08 2.20 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 1.06 0.00 0.00 1.22 0.00 0.00 108 K 8.62 4.22 0.00 1.70 1.74 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.49 7.81 109 D 9.12 4.64 0.00 2.83 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 0.00 110 R 7.37 3.95 0.00 1.95 1.86 0.00 3.20 0.00 0.00 3.10 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.64 0.00 111 K 8.51 4.30 0.00 1.74 1.81 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.72 7.81 112 K 7.69 4.43 0.00 1.64 1.62 0.00 1.86 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.38 7.81 113 S 8.26 3.61 0.00 3.68 3.69 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 0.00 114 R 7.34 4.39 0.00 1.85 2.10 0.00 3.13 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 115 S 8.26 4.09 0.00 3.83 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 0.00 116 K 7.94 4.30 0.00 2.53 1.88 0.00 2.08 0.00 0.00 1.96 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.60 1.56 7.81 117 Y 8.17 3.33 0.00 3.18 3.10 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 0.00 118 G 7.39 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 0.00 119 T 7.31 4.49 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 1.26 0.00 0.00 120 K 8.58 3.97 0.00 1.74 1.76 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.39 7.81 121 K 8.48 4.00 0.00 1.69 1.72 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.49 7.81 122 P 0.00 4.44 0.00 2.21 2.03 0.00 3.82 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 1.98 1.94 0.00 123 K 8.41 4.01 0.00 1.71 1.75 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.61 7.81 124 E 8.50 4.04 0.00 1.99 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 2.31 2.25 0.00 125 A 7.57 3.35 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 *126 A 8.40 4.12 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 * Residues marked with a * may have inaccurate shift predictions.