NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4656 8.3349 115.4134 58.1796 64.6376 173.1397 3 N 4.9090 7.8863 116.5160 50.1321 41.9540 173.0879 4 T 3.8722 9.1940 112.1652 62.3471 70.1864 173.4334 5 L 4.0593 8.4421 124.0666 55.5189 43.4879 176.7984 6 F 4.7890 7.3291 111.5961 54.7523 40.9372 171.4325 7 D 5.3498 10.2757 127.0602 55.0433 43.0747 172.1529 8 D 4.5967 8.2240 122.3837 53.4318 44.8779 173.8119 9 I 4.2687 7.7578 125.1435 60.7453 38.8361 175.1112 10 F 5.3668 8.5270 123.8572 55.7865 43.8865 173.6115 11 Q 4.7809 8.9167 120.0640 54.5635 32.3287 173.8699 12 V 4.1961 8.7744 127.5605 63.3720 31.9268 176.2232 13 S 4.5730 9.0476 123.1401 59.5078 65.0515 174.4461 14 E 4.7621 7.9677 120.3635 54.3103 33.2216 174.3974 15 V 4.1375 8.5600 126.0637 60.2298 32.0380 174.6333 16 D 4.7370 8.3323 127.2312 51.6777 42.0340 173.5525 17 P 4.7265 0.0000 0.0000 62.3667 28.7918 174.9076 18 G 3.8328 8.2193 113.6603 45.4265 0.0000 171.0692 19 R 4.2466 8.5078 125.6444 56.1129 27.9789 176.2220 20 Y 4.9285 7.2960 112.7219 56.9426 42.1308 175.0805 21 N 4.5608 9.0618 122.6093 55.7686 39.3143 175.7438 22 K 4.2113 7.8170 116.1032 56.0019 33.4647 174.5243 23 V 3.2586 8.2181 126.0833 63.1370 29.3242 171.0581 24 C 4.6844 8.7932 129.3443 58.0702 34.7210 171.3319 25 R 4.7543 7.9441 116.0016 54.5022 32.6479 174.8173 26 I 4.7134 9.1176 125.8633 59.1789 41.1341 173.2667 27 E 5.0525 8.8448 130.1771 54.5713 31.5907 174.3891 28 A 5.2028 9.5002 127.8686 50.3010 23.1081 174.4110 29 A 5.0179 8.6252 123.1102 50.2242 21.6347 176.5741 30 S 4.4417 8.1489 115.6512 58.4688 63.4251 173.6663 31 T 4.1457 8.0782 122.6407 64.4632 68.8037 174.2290 32 T 3.6893 8.9490 127.6853 64.3135 66.6574 173.4156 33 Q 4.3081 7.5885 124.5393 54.6144 27.5623 175.3848 34 D 4.5877 8.8130 122.8088 57.5905 41.0817 179.2187 35 Q 4.3828 7.8783 118.0888 54.4724 26.1341 173.6085 36 C 5.6921 7.8169 124.9052 59.7605 35.1635 172.0177 37 K 5.0430 8.0094 123.6737 55.3164 36.3900 174.5523 38 L 5.1872 9.0740 122.9438 53.8168 45.9293 175.2018 39 T 5.1122 8.7786 121.4970 61.8990 72.6808 172.6624 40 L 4.9587 8.9856 126.8012 53.9794 46.3636 173.9277 41 D 5.2703 8.4860 124.5797 52.5407 41.8881 175.9207 42 I 4.3635 8.1067 124.7187 59.2768 40.2074 175.4190 43 N 5.0163 10.4433 126.8438 53.3473 37.1366 175.4123 44 V 4.0502 8.1142 127.1982 64.8132 31.9386 176.4695 45 E 4.0965 8.2217 118.1450 59.4026 29.6445 178.3572 46 L 4.5123 7.9344 117.0601 55.9308 42.1121 176.6916 47 F 4.7680 8.6599 121.0198 55.3320 40.7074 171.4625 48 P 4.3561 0.0000 0.0000 62.5399 31.6041 176.2018 49 V 4.0166 8.0903 120.7735 60.9515 33.6558 174.8897 50 A 4.4434 8.4991 130.0403 50.4406 20.6980 175.6647 51 A 4.2145 8.2400 121.6088 53.1427 19.3923 177.4434 52 Q 3.6326 8.0525 118.5092 57.5176 26.9293 173.6324 53 D 5.1630 7.8462 116.5431 52.5648 43.9660 176.6875 54 S 5.1830 8.6860 117.3656 57.3638 64.8092 173.3351 55 L 5.2210 8.3215 121.4823 53.6504 45.8984 174.7718 56 T 4.7965 8.4588 115.3474 63.1315 72.6613 173.4309 57 V 4.4619 8.7411 127.5721 61.2176 32.1733 173.4192 58 T 4.4738 8.8992 121.8605 62.3242 70.0461 173.9574 59 I 4.1757 8.7593 124.5503 58.7802 38.6115 179.5369 60 A 3.8005 8.0106 124.0652 52.2998 17.7391 178.9699 61 S 4.8576 8.2666 109.6776 58.9896 63.2974 174.6361 62 S 4.6740 7.5412 114.2977 59.4532 69.4581 175.0087 63 L 4.3460 7.1569 122.1209 53.1461 41.2570 176.8958 *76 T 4.1359 7.7290 117.5986 63.9616 70.6132 176.5056 77 R 3.3561 7.9584 113.7898 56.8764 27.4766 175.6934 78 S 4.2630 8.1756 119.9374 57.7816 63.7383 174.0991 79 W 4.3531 8.4879 131.1982 56.3104 30.0361 176.2655 80 R 3.9402 7.7719 125.2352 54.9441 30.3742 176.1489 81 P 3.8488 0.0000 0.0000 61.5419 32.6760 173.1566 82 P 3.9613 0.0000 0.0000 61.0365 31.0032 176.5864 83 Q 3.5563 8.2007 125.6449 57.2639 28.5300 175.0114 84 A 3.6158 8.1143 114.3033 54.1127 14.9573 176.7885 85 G 3.7983 7.5301 111.6053 47.5849 0.0000 171.9014 86 D 4.6809 8.8600 126.2505 54.6521 37.6661 175.6427 87 R 4.2047 7.8254 117.1416 56.8070 29.8851 177.2293 88 S 3.7113 8.7490 115.1303 57.2900 62.8950 170.7649 89 L 4.4098 8.2006 122.2051 55.9947 37.8448 174.3435 90 A 4.7111 7.4565 117.2670 51.0803 18.6044 175.9328 91 D 4.4824 9.4866 120.3751 57.8507 40.9076 173.7612 92 D 4.7575 7.7699 114.6092 54.1140 41.0617 175.9003 93 Y 4.7482 7.5703 116.5290 56.9123 40.8749 174.2709 94 D 4.6330 8.7947 125.1904 56.5322 41.8419 176.1622 95 Y 4.0923 8.2842 121.8646 56.9206 39.6287 173.9028 96 V 5.5621 7.9839 125.7365 60.6392 35.1588 174.4407 97 M 4.6719 8.1717 123.9465 54.2107 36.2001 173.0767 98 Y 4.5565 8.3853 123.8463 56.7836 41.4654 175.0114 99 G 4.2346 6.9647 109.6387 46.2235 0.0000 172.2566 100 T 5.1121 8.1414 114.5309 60.4728 72.7242 174.0042 101 A 5.0344 8.1717 126.5229 51.5304 19.9715 178.0891 102 Y 4.9209 7.6321 117.3871 56.7465 39.9764 179.3568 103 K 4.0567 9.0606 114.3170 56.0990 32.6995 175.6942 104 F 4.6234 8.4732 121.1858 55.6861 41.6197 175.7449 105 E 4.5499 8.1891 126.5330 57.4909 30.9330 174.9789 106 E 5.2006 8.0736 117.0097 57.1188 32.5044 176.0062 107 V 4.3070 7.7775 119.2626 62.2033 35.7392 172.3671 108 S 4.4948 8.8217 113.8333 58.7833 64.2327 173.6000 109 K 4.4409 8.2968 119.9159 56.9190 36.6712 176.5698 110 D 4.2929 7.7976 116.8583 54.8463 37.8482 172.5616 111 L 4.7395 7.5764 121.1051 54.1596 43.3254 176.8020 112 I 3.5753 9.4761 118.1509 61.6162 38.4627 171.7721 113 A 4.4238 7.9709 125.1033 51.2639 22.2517 175.3316 114 V 4.1385 8.2360 114.9669 60.0370 34.4180 174.7589 115 Y 5.0022 7.2346 119.4359 56.4775 40.9600 174.2859 116 Y 5.1626 8.7372 121.5331 56.4344 42.2771 175.2152 117 S 4.3229 8.4395 115.5328 56.7151 64.4067 172.2283 118 F 4.5639 8.1559 126.9462 56.0096 37.4353 175.5757 119 G 3.8297 9.1946 109.3070 46.2397 0.0000 170.9930 120 G 3.7303 7.4497 111.8733 45.6817 0.0000 175.4967 121 L 3.9584 8.0685 124.1770 54.7548 41.4740 176.8504 122 L 5.1037 9.0697 125.0747 53.9743 44.5185 175.3431 123 M 5.2321 8.6251 118.4342 54.4745 36.3718 173.5364 124 R 5.0294 9.5423 125.4258 54.6594 33.4481 173.3172 125 L 5.1756 8.3699 128.3341 53.1636 45.1906 174.7218 126 E 4.8229 9.9117 125.9711 54.0403 33.4163 173.4827 127 G 4.1179 7.0103 111.4558 44.0702 0.0000 173.4754 128 N 4.8089 8.0364 123.0122 52.1906 37.7023 173.8497 129 Y 4.6748 8.1912 117.6279 56.9193 40.1334 177.7719 130 R 3.5394 7.4544 116.4610 56.7733 29.8552 175.4260 131 N 4.3678 8.8345 115.4874 52.5838 45.0443 175.3373 132 L 3.9415 8.2366 120.2339 55.3923 42.2128 174.7069 133 N 4.6369 8.1119 113.1345 52.5481 37.5799 174.2137 134 N 4.9895 8.1609 118.1601 52.3865 38.7603 174.4245 135 L 4.3776 8.2525 126.1945 53.8668 42.6392 178.2390 136 K 4.2783 8.3802 118.5091 58.0587 33.2450 176.8331 137 Q 4.3708 7.7953 122.5132 55.3914 30.0109 176.3169 138 E 4.0026 8.8866 119.9053 59.2227 29.7841 176.8032 139 N 4.4253 8.2412 113.8248 53.2759 39.3148 174.3125 140 A 4.7367 7.5553 123.4335 52.3608 22.0434 175.5570 141 Y 5.0273 8.3184 119.3888 57.1499 41.1622 175.6682 142 L 4.5295 8.4363 121.6650 54.4065 45.4763 174.0410 143 L 5.0344 9.3251 128.0614 52.9625 44.2377 175.6897 144 I 5.8272 9.3598 124.6582 58.5430 40.3196 174.8573 145 R 5.1009 8.8551 122.8463 54.6735 32.6003 176.1930 146 R 4.2105 8.3877 118.2380 57.0243 30.9005 176.3338 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 S 8.33 4.47 0.00 3.99 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 3 N 7.89 4.91 0.00 2.72 2.68 0.00 0.00 7.15 6.65 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 4 T 9.19 3.87 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 1.19 0.00 0.00 5 L 8.44 4.06 0.00 1.40 0.55 0.91 0.67 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 6 F 7.33 4.79 0.00 3.12 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 7 D 10.28 5.35 0.00 2.92 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 8 D 8.22 4.60 0.00 2.80 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 0.00 0.00 0.00 9 I 7.76 4.27 1.78 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 1.25 0.43 0.91 0.00 0.00 10 F 8.53 5.37 0.00 2.89 2.92 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 11 Q 8.92 4.78 0.00 2.14 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 7.00 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 12 V 8.77 4.20 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 0.91 0.00 0.00 0.99 0.00 0.00 13 S 9.05 4.57 0.00 3.90 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 14 E 7.97 4.76 0.00 2.02 1.77 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 2.28 2.31 0.00 15 V 8.56 4.14 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 0.78 0.00 0.00 0.95 0.00 0.00 16 D 8.33 4.74 0.00 2.91 2.62 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 17 P 0.00 4.73 0.00 2.25 2.11 0.00 3.82 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 18 G 8.22 3.83 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 0.00 19 R 8.51 4.25 0.00 1.60 1.65 0.00 3.24 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.45 0.00 20 Y 7.30 4.93 0.00 2.74 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 21 N 9.06 4.56 0.00 2.77 2.90 0.00 0.00 7.02 7.61 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 22 K 7.82 4.21 0.00 1.76 1.75 0.00 1.90 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.63 1.45 7.81 23 V 8.22 3.26 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 0.57 0.00 0.00 0.91 0.00 0.00 24 C 8.79 4.68 0.00 3.05 2.85 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 0.00 0.00 0.00 25 R 7.94 4.75 0.00 1.91 1.75 0.00 3.12 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 26 I 9.12 4.71 1.87 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 1.12 1.44 0.91 0.00 0.00 27 E 8.84 5.05 0.00 2.16 1.79 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 2.23 2.29 0.00 28 A 9.50 5.20 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 29 A 8.63 5.02 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 30 S 8.15 4.44 0.00 4.03 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 31 T 8.08 4.15 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 1.18 0.00 0.00 32 T 8.95 3.69 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 1.22 0.00 0.00 33 Q 7.59 4.31 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 34 D 8.81 4.59 0.00 2.67 2.77 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 35 Q 7.88 4.38 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 36 C 7.82 5.69 0.00 2.93 2.91 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 37 K 8.01 5.04 0.00 1.81 1.83 0.00 1.49 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.40 7.81 38 L 9.07 5.19 0.00 1.48 1.52 0.67 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.78 5.11 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 40 L 8.99 4.96 0.00 1.69 1.37 1.11 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.49 5.27 0.00 2.68 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 42 I 8.11 4.36 1.88 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.81 1.10 0.00 0.00 43 N 10.44 5.02 0.00 2.75 2.81 0.00 0.00 6.47 7.59 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 44 V 8.11 4.05 2.13 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 1.23 0.00 0.00 0.98 0.00 0.00 45 E 8.22 4.10 0.00 2.03 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 0.00 2.31 2.43 0.00 46 L 7.93 4.51 0.00 1.83 1.66 0.82 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.66 4.77 0.00 3.19 3.30 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 48 P 0.00 4.36 0.00 2.06 1.96 0.00 3.56 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.85 0.00 49 V 8.09 4.02 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 0.86 0.00 0.00 1.04 0.00 0.00 50 A 8.50 4.44 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 51 A 8.24 4.21 1.25 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 0.00 0.00 0.00 52 Q 8.05 3.63 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.55 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 53 D 7.85 5.16 0.00 2.66 2.56 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 0.00 0.00 0.00 0.00 54 S 8.69 5.18 0.00 3.95 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 55 L 8.32 5.22 0.00 1.72 1.73 1.00 1.17 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 56 T 8.46 4.80 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 1.35 0.00 0.00 57 V 8.74 4.46 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 0.96 0.00 0.00 0.89 0.00 0.00 58 T 8.90 4.47 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 1.18 0.00 0.00 59 I 8.76 4.18 2.29 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.27 1.11 0.00 0.00 60 A 8.01 3.80 1.25 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 0.00 0.00 0.00 61 S 8.27 4.86 0.00 4.07 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 62 S 7.54 4.67 0.00 3.93 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 63 L 7.16 4.35 0.00 1.55 1.60 0.90 0.81 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 *76 T 7.73 4.14 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 1.23 0.00 0.00 77 R 7.96 3.36 0.00 2.00 2.18 0.00 3.07 0.00 0.00 3.29 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 78 S 8.18 4.26 0.00 4.05 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 79 W 8.49 4.35 0.00 3.17 3.21 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 80 R 7.77 3.94 0.00 1.38 1.53 0.00 3.11 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.45 0.00 81 P 0.00 3.85 0.00 2.05 2.02 0.00 3.56 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.90 0.00 82 P 0.00 3.96 0.00 2.02 1.91 0.00 3.62 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 83 Q 8.20 3.56 0.00 2.08 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.49 0.00 0.00 0.00 0.00 0.00 2.14 2.28 0.00 84 A 8.11 3.62 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 85 G 7.53 3.80 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 0.00 86 D 8.86 4.68 0.00 2.90 2.91 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 87 R 7.83 4.20 0.00 1.71 1.89 0.00 3.42 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 88 S 8.75 3.71 0.00 4.05 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 89 L 8.20 4.41 0.00 1.75 2.07 0.97 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.46 4.71 1.10 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 0.00 0.00 91 D 9.49 4.48 0.00 2.77 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 92 D 7.77 4.76 0.00 2.55 2.35 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 93 Y 7.57 4.75 0.00 2.94 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 94 D 8.79 4.63 0.00 2.58 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 95 Y 8.28 4.09 0.00 2.27 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 0.00 0.00 0.00 0.00 96 V 7.98 5.56 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 1.15 0.00 0.00 0.98 0.00 0.00 97 M 8.17 4.67 0.00 1.32 0.93 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.42 0.00 98 Y 8.39 4.56 0.00 2.53 2.53 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 99 G 6.96 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 0.00 0.00 0.00 0.00 100 T 8.14 5.11 4.15 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 1.22 0.00 0.00 101 A 8.17 5.03 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 0.00 102 Y 7.63 4.92 0.00 2.85 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 0.00 0.00 0.00 103 K 9.06 4.06 0.00 1.67 1.78 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.49 7.81 104 F 8.47 4.62 0.00 2.91 2.78 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 0.00 105 E 8.19 4.55 0.00 1.40 1.65 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 2.17 2.26 0.00 106 E 8.07 5.20 0.00 1.98 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 2.21 2.05 0.00 107 V 7.78 4.31 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 0.63 0.00 0.00 0.92 0.00 0.00 108 S 8.82 4.49 0.00 3.70 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 0.00 109 K 8.30 4.44 0.00 1.70 1.68 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.44 7.81 110 D 7.80 4.29 0.00 2.84 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 0.00 111 L 7.58 4.74 0.00 1.76 1.74 0.89 0.61 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 0.00 112 I 9.48 3.58 1.83 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 1.30 1.39 0.89 0.00 0.00 113 A 7.97 4.42 0.93 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 0.00 0.00 0.00 0.00 0.00 114 V 8.24 4.14 1.37 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 0.85 0.00 0.00 0.73 0.00 0.00 115 Y 7.23 5.00 0.00 1.94 1.46 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.74 5.16 0.00 2.68 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 0.00 0.00 0.00 117 S 8.44 4.32 0.00 3.49 3.38 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 0.00 118 F 8.16 4.56 0.00 3.21 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 0.00 119 G 9.19 3.83 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 0.00 120 G 7.45 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 0.00 0.00 0.00 121 L 8.07 3.96 0.00 2.02 1.77 1.02 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 122 L 9.07 5.10 0.00 1.67 1.63 0.92 0.58 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 0.00 123 M 8.63 5.23 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.63 0.00 124 R 9.54 5.03 0.00 1.96 1.77 0.00 3.22 0.00 0.00 3.14 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.76 0.00 125 L 8.37 5.18 0.00 1.67 1.33 0.92 0.97 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 0.00 126 E 9.91 4.82 0.00 1.97 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 2.22 2.14 0.00 127 G 7.01 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 0.00 128 N 8.04 4.81 0.00 2.68 2.77 0.00 0.00 7.03 7.54 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 0.00 129 Y 8.19 4.67 0.00 2.93 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 0.00 130 R 7.45 3.54 0.00 2.03 1.17 0.00 3.07 0.00 0.00 3.24 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 131 N 8.83 4.37 0.00 2.80 3.14 0.00 0.00 6.78 7.85 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 0.00 132 L 8.24 3.94 0.00 1.79 1.87 0.91 0.94 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 0.00 133 N 8.11 4.64 0.00 2.80 2.89 0.00 0.00 5.91 8.04 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 0.00 134 N 8.16 4.99 0.00 3.15 2.92 0.00 0.00 7.15 7.78 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 0.00 135 L 8.25 4.38 0.00 1.84 1.62 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.38 4.28 0.00 1.88 1.82 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.43 7.81 137 Q 7.80 4.37 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 138 E 8.89 4.00 0.00 2.15 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 2.49 2.53 0.00 139 N 8.24 4.43 0.00 2.85 2.92 0.00 0.00 6.72 7.35 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 0.00 140 A 7.56 4.74 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 0.00 0.00 0.00 0.00 0.00 0.00 141 Y 8.32 5.03 0.00 2.97 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 0.00 142 L 8.44 4.53 0.00 1.63 0.97 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 143 L 9.33 5.03 0.00 0.78 0.82 0.76 -0.53 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 0.00 144 I 9.36 5.83 1.58 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 0.97 1.12 0.83 0.00 0.00 145 R 8.86 5.10 0.00 1.76 2.01 0.00 3.03 0.00 0.00 2.97 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 146 R 8.39 4.21 0.00 1.97 1.98 0.00 3.20 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.