NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 3.8901 0.0000 0.0000 61.8922 33.1664 174.7413 2 L 5.7798 7.9974 120.2569 50.4417 44.9398 174.7456 3 R 4.8416 8.7361 118.4237 55.2338 33.8782 174.1671 4 L 4.4683 8.4510 123.1298 54.4167 41.3700 177.1539 *10 L 4.4150 8.3839 123.8641 53.7212 43.1489 175.9170 11 Q 4.7967 8.8338 121.0825 54.6470 32.4880 173.1398 12 Y 5.2517 8.9000 127.0113 55.9255 40.2718 174.5060 13 W 5.1213 7.8856 122.7469 53.7038 31.5300 173.4218 14 P 4.0804 0.0000 0.0000 62.1048 31.4764 176.4201 15 F 4.1341 8.2817 120.4863 58.4238 39.1924 176.1137 16 S 4.5272 8.6535 119.9741 57.7913 65.3815 175.6444 17 S 3.7886 8.4901 119.1880 61.5729 62.9615 176.5779 18 S 4.0284 7.9925 118.6862 61.7236 62.5930 176.6573 19 D 3.6738 7.6403 120.4748 56.7247 40.4329 178.8602 20 L 3.7032 6.6654 118.1705 58.0081 41.6099 179.1428 21 Y 4.4307 7.7920 116.9312 60.7653 37.7715 177.9608 22 N 4.3130 8.4336 118.1034 56.1703 38.4372 177.1629 23 W 4.5520 7.4872 118.9429 59.8067 29.4121 178.2986 24 K 4.1949 8.1065 119.1476 59.7446 31.6531 178.4758 25 N 4.6953 8.5328 114.3181 54.7382 38.5007 175.3557 26 N 5.0294 7.8223 115.9973 52.7976 39.5826 173.7406 27 N 5.0703 7.9639 114.3773 50.5447 42.6916 172.3857 28 P 4.4181 0.0000 0.0000 62.5388 31.4750 176.0884 29 S 4.5525 8.0712 113.4060 57.7317 63.9490 175.2134 30 F 4.1449 9.0653 122.7341 62.0125 38.8286 176.3664 31 S 4.0941 8.5188 112.2072 61.5882 62.4904 175.6933 32 E 4.1883 7.7212 124.3352 58.0374 30.2842 177.3733 33 D 4.4214 7.3976 114.0275 51.8797 43.3603 173.7742 34 P 3.7274 0.0000 0.0000 64.2667 31.5244 178.2751 35 G 3.8694 7.9780 105.1108 48.5923 0.0000 174.4599 36 K 3.8630 7.9371 119.2734 59.9499 32.0889 178.1858 37 L 4.2930 7.9151 118.7939 56.7501 41.8732 179.3979 38 T 4.1809 8.0830 116.8789 66.2733 68.3378 176.8854 39 A 4.0731 8.0315 122.5366 54.6490 18.3925 179.5506 40 L 3.8123 7.7550 118.8092 58.1976 42.1396 179.1803 41 I 3.4134 7.1912 118.8588 64.1504 36.8147 177.5969 42 E 3.8562 8.5158 120.6369 59.8422 29.3480 179.1686 43 S 4.2472 7.6269 113.0344 60.6968 62.3899 176.2278 44 V 3.6217 7.5451 120.9335 65.8531 31.0531 177.8349 45 L 4.0073 8.1463 119.2574 57.8761 41.3085 179.5723 46 T 4.0568 7.5050 108.4130 64.8441 69.0251 177.2327 47 T 3.9839 8.2749 112.3590 63.4093 69.1365 174.4226 48 H 4.4946 8.4071 116.8526 55.6307 30.3812 174.0993 49 Q 3.5885 7.8650 116.6077 55.5156 26.0040 172.7549 50 P 4.2957 0.0000 0.0000 62.4399 32.6139 178.8344 51 T 4.1981 8.1442 111.4790 61.3821 71.1289 174.3321 52 W 3.8714 8.6855 128.7173 60.9032 30.8077 178.0683 53 D 4.2170 8.4557 118.3374 57.6613 40.3902 178.1617 54 D 4.5999 8.0839 119.1817 58.0990 40.8795 179.2535 55 C 4.1480 7.8319 116.5723 62.8855 27.9814 176.1182 56 Q 3.7532 7.5275 119.4969 59.0785 28.2666 179.1497 57 Q 3.8519 7.8307 118.3643 58.7736 28.6837 178.4740 58 L 3.8044 7.8917 119.9661 57.8485 41.6789 179.7198 59 L 4.0215 8.3580 119.2834 57.5669 41.3348 179.4683 60 G 3.8746 8.4228 105.5128 48.3832 0.0000 175.1884 61 T 4.3479 7.6630 116.0545 64.3258 68.9831 176.2101 62 L 4.7146 7.4945 118.1693 53.2484 42.9716 176.0301 63 L 4.8610 7.0964 119.6205 52.2728 44.7409 176.6378 64 T 4.2278 8.7918 116.7004 61.2112 70.9052 175.5389 65 G 4.0384 8.6667 110.3427 48.5375 0.0000 175.7761 66 E 4.0154 8.1875 121.0764 58.8146 29.5548 179.2624 67 E 3.9886 8.2083 118.5831 59.3113 29.4926 179.1260 68 K 3.7969 9.0277 120.4140 59.6535 32.0586 178.8625 69 Q 3.9061 7.9765 117.8923 59.0527 28.7692 178.3439 70 R 3.8157 7.6583 119.8057 59.4153 30.0445 178.7617 71 V 3.4600 7.5450 117.4558 65.7120 31.6152 177.9493 72 L 3.7623 8.0421 119.0182 57.7647 41.4504 179.2512 73 L 3.8353 7.9513 118.8933 58.1612 41.5389 179.6040 74 E 3.9086 8.1272 117.7891 59.1587 29.0763 179.4915 75 A 3.9756 7.3387 119.9496 54.8456 18.7878 179.5396 76 R 3.7709 7.3842 116.5229 59.2329 29.9313 179.1349 77 K 3.7339 8.3765 118.6123 59.1352 32.1911 177.0242 78 A 4.2940 7.3404 119.3186 52.2790 18.4021 178.1936 79 V 3.4953 7.1975 119.4827 65.5412 31.6833 177.1127 *88 Q 4.3085 8.1022 125.3806 54.9621 30.8234 178.7354 89 L 4.2554 7.6048 116.4170 54.3626 41.6249 181.2740 90 P 4.4021 0.0000 0.0000 65.2399 31.4906 178.6057 91 N 4.3029 8.1957 114.4696 56.8294 38.6388 177.0862 92 E 3.9548 8.1422 119.0251 59.5118 29.7305 179.0623 93 V 3.7242 7.5487 117.7157 66.4359 31.3840 177.6904 94 D 4.3133 8.0857 117.0059 57.4192 41.0521 178.0269 95 A 4.1822 7.8153 119.4159 54.9703 18.3400 178.9623 96 A 4.4440 7.6151 117.0854 53.5952 20.4776 177.7655 97 F 5.0085 8.1886 117.8537 55.7402 39.2631 171.4679 98 P 5.0272 0.0000 0.0000 62.0231 32.3833 176.5544 99 L 5.0442 8.4728 115.0675 54.3511 43.8858 176.6650 100 E 4.7020 7.8224 116.6628 53.7017 31.8927 175.1270 101 R 2.0000 7.8385 120.6346 55.0849 29.8278 174.3943 102 P 3.7829 0.0000 0.0000 61.8619 31.9470 176.3103 103 D 4.4191 7.7942 120.1138 51.6944 38.4181 174.9442 104 W 4.9603 8.0777 125.0586 55.1283 32.1997 174.8584 105 D 4.6473 8.6028 122.3880 52.6784 41.1530 176.2069 106 Y 4.5106 8.0738 124.8223 58.3391 38.5650 176.7388 107 T 3.9937 8.5693 112.2332 64.2341 69.2405 175.5231 108 T 4.3536 7.5242 113.2735 61.1555 71.6277 175.4321 109 T 4.0825 8.1126 116.5091 65.9282 68.7941 177.3969 110 E 3.9134 8.0189 120.4089 58.9881 29.6265 179.0900 111 G 3.4795 7.9556 105.7168 48.0996 0.0000 175.9685 112 R 3.9819 7.6948 120.9438 58.7569 30.0167 178.9849 113 N 4.3065 7.8615 116.0159 56.1425 38.3971 177.2483 114 H 3.9227 7.5463 117.7138 58.5340 28.5035 177.5390 115 L 4.0951 7.3421 120.6641 57.9850 41.4502 179.7250 116 V 3.5795 7.9930 118.2251 65.8974 31.4303 177.7801 117 L 4.4796 8.3089 121.5908 57.8854 42.0388 177.8923 118 Y 4.0140 8.7499 120.3352 61.0277 38.5540 178.3492 119 R 4.0192 8.3556 118.6586 59.7137 30.3853 179.1338 120 Q 4.0115 7.9525 117.2125 58.9118 28.6113 178.8031 121 L 4.0478 8.1188 120.0736 57.6658 41.6593 178.7957 122 L 4.0393 8.4101 120.6143 58.5563 41.9473 178.5952 123 L 3.9009 8.3066 119.7296 58.4015 41.2956 178.6654 124 A 4.0825 8.4031 120.7909 56.0090 18.3070 179.1473 125 G 3.6189 8.6940 101.3472 48.2621 0.0000 175.4657 126 L 3.7487 8.3623 119.2944 57.2957 41.8967 179.6460 127 Q 4.0606 8.0644 116.7765 59.3216 29.1043 178.5415 128 N 4.4355 9.5224 117.1398 56.7171 38.5674 177.4603 129 A 4.2974 8.4937 120.3802 54.4973 18.5215 178.9729 130 G 3.8400 8.2749 104.7688 46.2587 0.0000 174.6441 131 R 4.2666 7.9482 124.7827 56.1276 30.0890 180.7483 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 P 0.00 3.89 0.00 0.49 0.99 0.00 2.31 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.78 0.00 2 L 8.00 5.78 0.00 1.47 1.44 0.56 0.12 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 3 R 8.74 4.84 0.00 1.88 2.20 0.00 2.40 0.00 0.00 2.94 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.69 0.00 4 L 8.45 4.47 0.00 1.46 1.52 0.92 0.87 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 *10 L 8.38 4.41 0.00 1.92 1.81 1.02 1.07 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 11 Q 8.83 4.80 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 12 Y 8.90 5.25 0.00 2.87 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 13 W 7.89 5.12 0.00 3.13 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 14 P 0.00 4.08 0.00 2.11 2.09 0.00 3.83 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 2.13 2.29 0.00 15 F 8.28 4.13 0.00 3.00 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 16 S 8.65 4.53 0.00 4.02 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 17 S 8.49 3.79 0.00 3.95 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 18 S 7.99 4.03 0.00 3.76 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 19 D 7.64 3.67 0.00 2.25 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.67 3.70 0.00 1.14 1.26 0.58 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.79 4.43 0.00 2.93 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 22 N 8.43 4.31 0.00 2.42 2.78 0.00 0.00 6.91 7.56 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 23 W 7.49 4.55 0.00 3.50 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 24 K 8.11 4.19 0.00 2.00 2.04 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.56 7.81 25 N 8.53 4.70 0.00 2.80 2.88 0.00 0.00 6.96 7.56 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 26 N 7.82 5.03 0.00 2.85 2.85 0.00 0.00 6.70 8.64 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 27 N 7.96 5.07 0.00 2.82 2.69 0.00 0.00 6.90 8.73 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 28 P 0.00 4.42 0.00 2.03 2.04 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 29 S 8.07 4.55 0.00 4.11 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 30 F 9.07 4.14 0.00 3.13 3.27 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 31 S 8.52 4.09 0.00 4.08 3.96 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 32 E 7.72 4.19 0.00 1.92 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 0.00 2.35 2.35 0.00 33 D 7.40 4.42 0.00 2.59 2.43 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 34 P 0.00 3.73 0.00 1.38 0.80 0.00 3.75 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.52 0.00 35 G 7.98 3.87 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 0.00 0.00 0.00 36 K 7.94 3.86 0.00 2.09 1.77 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.64 7.81 37 L 7.92 4.29 0.00 1.68 1.90 1.07 0.76 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 38 T 8.08 4.18 4.42 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 1.30 0.00 0.00 39 A 8.03 4.07 1.40 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 0.00 0.00 40 L 7.75 3.81 0.00 1.68 1.55 0.83 0.15 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 41 I 7.19 3.41 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.47 0.83 0.00 0.00 42 E 8.52 3.86 0.00 2.04 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 2.31 2.35 0.00 43 S 7.63 4.25 0.00 4.04 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.55 3.62 1.89 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 0.82 0.00 0.00 -0.04 0.00 0.00 45 L 8.15 4.01 0.00 1.94 1.73 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.51 4.06 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 47 T 8.27 3.98 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 48 H 8.41 4.49 0.00 3.43 3.11 0.00 5.88 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.86 3.59 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 50 P 0.00 4.30 0.00 2.18 2.04 0.00 3.90 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 2.01 2.00 0.00 51 T 8.14 4.20 4.30 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 1.20 0.00 0.00 52 W 8.69 3.87 0.00 3.12 2.97 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 53 D 8.46 4.22 0.00 2.79 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 54 D 8.08 4.60 0.00 2.91 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 55 C 7.83 4.15 0.00 2.90 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 56 Q 7.53 3.75 0.00 1.91 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 1.30 1.59 0.00 57 Q 7.83 3.85 0.00 2.32 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.89 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 58 L 7.89 3.80 0.00 1.84 1.63 0.88 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.36 4.02 0.00 1.68 1.65 0.92 0.92 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 60 G 8.42 3.87 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 0.00 0.00 0.00 61 T 7.66 4.35 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 1.30 0.00 0.00 62 L 7.49 4.71 0.00 1.60 1.70 0.87 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.10 4.86 0.00 1.53 1.56 0.66 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 64 T 8.79 4.23 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 1.36 0.00 0.00 65 G 8.67 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 0.00 0.00 0.00 0.00 66 E 8.19 4.02 0.00 2.08 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 2.41 2.47 0.00 67 E 8.21 3.99 0.00 2.31 1.95 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 2.54 2.40 0.00 68 K 9.03 3.80 0.00 1.59 1.97 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.45 7.81 69 Q 7.98 3.91 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.51 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 70 R 7.66 3.82 0.00 1.83 1.95 0.00 3.15 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 71 V 7.55 3.46 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 0.83 0.00 0.00 0.58 0.00 0.00 72 L 8.04 3.76 0.00 1.65 1.62 1.02 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.95 3.84 0.00 1.73 1.66 0.93 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.13 3.91 0.00 2.02 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 2.42 2.55 0.00 75 A 7.34 3.98 0.92 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 76 R 7.38 3.77 0.00 1.80 1.86 0.00 3.04 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.82 0.00 77 K 8.38 3.73 0.00 1.61 1.91 0.00 1.77 0.00 0.00 1.90 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.38 7.81 78 A 7.34 4.29 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 79 V 7.20 3.50 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 0.79 0.00 0.00 1.04 0.00 0.00 *88 Q 8.10 4.31 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.74 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 89 L 7.60 4.26 0.00 1.56 1.58 0.92 0.93 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 90 P 0.00 4.40 0.00 2.16 2.09 0.00 3.60 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 2.12 2.18 0.00 91 N 8.20 4.30 0.00 2.78 2.91 0.00 0.00 6.94 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 92 E 8.14 3.95 0.00 2.03 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 2.39 0.00 93 V 7.55 3.72 2.36 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 1.02 0.00 0.00 0.94 0.00 0.00 94 D 8.09 4.31 0.00 2.99 2.68 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 95 A 7.82 4.18 1.43 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 0.00 0.00 96 A 7.62 4.44 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 97 F 8.19 5.01 0.00 3.03 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 98 P 0.00 5.03 0.00 2.29 2.14 0.00 3.86 0.00 0.00 4.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 99 L 8.47 5.04 0.00 1.72 1.86 0.98 1.01 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 0.00 100 E 7.82 4.70 0.00 1.83 1.70 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 2.22 2.31 0.00 101 R 7.84 2.00 0.00 1.29 1.48 0.00 3.08 0.00 0.00 3.12 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.17 0.00 102 P 0.00 3.78 0.00 0.49 0.77 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 103 D 7.79 4.42 0.00 2.72 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 0.00 104 W 8.08 4.96 0.00 3.37 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 0.00 105 D 8.60 4.65 0.00 2.62 2.51 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 0.00 0.00 0.00 0.00 106 Y 8.07 4.51 0.00 3.12 3.13 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 0.00 107 T 8.57 3.99 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 1.07 0.00 0.00 108 T 7.52 4.35 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 1.18 0.00 0.00 109 T 8.11 4.08 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 1.17 0.00 0.00 110 E 8.02 3.91 0.00 1.90 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 2.32 2.26 0.00 111 G 7.96 3.48 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 0.00 112 R 7.69 3.98 0.00 1.87 1.99 0.00 3.16 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.91 0.00 113 N 7.86 4.31 0.00 2.63 2.73 0.00 0.00 6.93 9.28 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 0.00 114 H 7.55 3.92 0.00 1.82 1.31 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 7.34 4.10 0.00 1.84 1.75 1.07 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 116 V 7.99 3.58 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 1.00 0.00 0.00 0.99 0.00 0.00 117 L 8.31 4.48 0.00 1.90 1.78 0.94 0.76 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 0.00 118 Y 8.75 4.01 0.00 3.27 3.17 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 0.00 119 R 8.36 4.02 0.00 2.11 2.03 0.00 3.21 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.07 0.00 120 Q 7.95 4.01 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 121 L 8.12 4.05 0.00 2.07 1.91 1.12 0.33 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 0.00 122 L 8.41 4.04 0.00 1.71 1.83 0.96 0.54 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 0.00 123 L 8.31 3.90 0.00 1.79 1.91 0.93 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 124 A 8.40 4.08 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 0.00 125 G 8.69 3.62 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 0.00 126 L 8.36 3.75 0.00 1.87 1.83 0.89 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 8.06 4.06 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.88 0.00 0.00 0.00 0.00 0.00 2.44 2.57 0.00 128 N 9.52 4.44 0.00 2.93 3.04 0.00 0.00 7.03 7.25 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 0.00 129 A 8.49 4.30 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 0.00 130 G 8.27 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 0.00 131 R 7.95 4.27 0.00 1.83 1.66 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.40 0.00 * Residues marked with a * may have inaccurate shift predictions.