NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.1191 8.2993 121.7938 56.2364 33.5934 173.9928 *4 Q 4.1847 8.0159 117.3065 56.2761 30.2429 174.1777 5 T 4.6390 8.1499 116.3196 62.9496 69.8211 173.8964 6 Y 4.4073 8.4084 123.8811 56.2143 40.8550 174.3428 7 Y 5.1910 9.0688 121.7745 56.5612 41.0285 174.3591 8 Y 5.6674 8.6297 119.9041 55.5247 42.5480 173.9916 9 V 4.9614 9.0150 119.6712 59.9111 34.4757 174.1596 10 L 5.5434 9.4937 126.4034 53.6344 45.4764 174.8990 11 A 4.8759 8.5999 125.7083 51.1467 23.6788 175.6239 12 S 4.6741 8.6326 112.7797 57.9853 64.1853 175.4071 13 R 3.9294 8.9219 122.8252 59.6692 29.7344 178.9283 14 R 3.8773 8.0419 118.0507 59.3555 30.0728 178.1451 15 F 4.0878 8.3845 120.2373 61.4334 39.5104 177.2150 16 L 3.9511 8.0625 118.3075 57.0552 41.2674 178.5359 17 L 4.5792 7.9272 115.6968 54.5668 42.2037 175.9838 18 Q 4.3179 7.5898 117.3455 57.7840 30.9671 176.1483 19 E 4.0056 8.2067 116.1534 58.9398 29.7552 177.8428 20 E 4.3540 7.4306 120.3265 52.4190 29.1743 172.5380 21 P 4.9283 0.0000 0.0000 62.2811 32.1936 177.6616 22 I 4.3807 8.1704 114.0959 60.6799 37.8648 176.9541 23 E 3.9522 8.0492 122.4920 60.0471 29.4177 178.5629 24 E 3.9872 8.1785 117.9590 59.2669 29.5678 179.3437 25 V 3.6729 7.8147 117.7396 66.2514 31.6943 178.0347 26 L 4.0658 8.1450 118.6327 57.4276 41.4003 179.4780 27 K 3.9525 8.4879 120.1700 59.3727 32.1733 178.4184 28 E 3.9137 8.4703 119.9090 59.4303 29.5446 178.7708 29 R 3.7906 7.9481 118.6040 59.7220 30.0326 178.5831 30 T 3.9731 8.2165 115.7052 66.5179 68.4396 176.6584 31 R 3.9216 8.2281 120.7455 59.6919 30.2242 178.0629 32 H 4.1572 8.4717 118.0649 59.6207 29.8097 176.7995 33 Y 3.9511 8.5950 118.6989 61.1278 37.5317 178.2427 34 H 4.2760 8.2990 119.4408 59.3315 29.9155 177.2936 35 E 3.8883 7.9879 117.4742 58.6620 29.4621 177.9185 36 Q 4.1791 7.6162 116.7531 54.6156 29.6239 174.9182 37 E 3.7897 7.9685 119.1589 57.1323 27.8217 174.3912 38 K 4.4111 8.2709 118.4778 54.1779 33.9840 175.2595 39 E 4.1302 8.5926 126.7438 55.7541 30.1920 176.5103 40 I 3.5009 8.4191 127.3430 61.9113 37.7588 175.4473 41 D 4.4051 7.9197 123.9315 52.2126 40.1365 174.4164 42 F 4.9396 5.6104 112.3850 55.9065 41.0634 173.5381 43 W 5.2501 9.7290 120.2456 55.2632 33.9597 173.5625 44 L 4.8480 8.8548 126.3650 54.4679 42.7803 176.0265 45 V 4.4040 9.3690 126.6033 60.3268 33.7831 172.6660 46 P 4.5017 0.0000 0.0000 63.0737 32.0711 176.8382 47 Q 3.0683 8.8987 123.0070 56.0861 27.6997 171.8264 48 P 4.5420 0.0000 0.0000 62.7100 32.4286 178.2873 49 A 3.8482 8.7510 124.0343 54.9143 18.3322 180.0298 50 F 3.7223 7.7223 112.8650 59.7970 37.4367 177.3505 51 L 3.4362 5.9780 117.9709 56.4977 41.3372 178.2337 52 E 4.1317 7.6561 116.9662 56.1554 30.2903 176.7012 53 A 4.1258 7.2280 122.7297 51.5573 19.4644 176.5580 54 P 4.2565 0.0000 0.0000 65.7267 31.5137 178.5353 55 E 4.0841 8.1926 113.7771 58.1421 29.8478 177.7086 56 F 4.5386 8.3258 118.1502 57.2104 39.2300 176.9473 57 A 4.0276 7.8714 123.3210 55.6440 18.1376 180.1702 58 D 4.3464 8.0341 116.6969 57.5374 41.0827 178.9189 59 I 3.8545 7.7774 119.9692 64.1612 36.9671 178.2770 60 K 3.9554 8.3892 119.9765 59.4050 32.1335 178.4017 61 A 4.1184 7.9272 120.1042 55.0909 18.3530 179.2007 62 K 4.1075 8.0338 117.0414 57.6573 32.4963 176.4797 63 C 4.4557 7.2566 119.4247 57.1140 32.2558 171.3644 64 P 4.3243 0.0000 0.0000 63.1258 31.5067 175.5663 65 Q 4.7881 8.2226 120.6092 53.2951 31.4204 173.8272 66 P 4.6258 0.0000 0.0000 62.7652 33.0536 175.1687 67 A 5.2806 8.7617 123.1468 50.5711 22.6923 175.0063 68 A 5.0759 8.8923 118.8218 51.0686 23.1462 175.4473 69 A 5.2483 9.1077 120.4088 50.6078 23.7253 175.1345 70 I 5.0422 8.8238 120.4515 59.7837 39.7977 174.9750 71 I 5.4295 9.1832 128.1595 60.0383 40.3298 174.6705 72 S 5.3841 9.5615 119.2978 57.7389 66.0692 174.5440 73 T 4.4261 8.6999 113.9329 62.0541 69.2265 174.1830 74 N 4.7082 8.3981 122.8022 52.1568 39.0479 175.0132 75 S 3.4133 8.1174 121.3657 61.1782 62.3219 175.7211 76 Q 3.9586 7.9462 120.2811 58.8784 28.4883 178.4107 77 F 4.3936 8.8779 121.9223 61.4342 39.4320 177.3023 78 I 3.4941 7.5112 118.3731 64.6657 36.9355 178.5727 79 T 3.8339 8.0394 116.6675 66.2948 68.1905 176.5243 80 W 4.0952 8.4126 130.4075 60.4303 30.6891 178.0280 81 L 3.4409 7.8909 118.9847 57.2849 40.8564 179.4340 82 K 3.8061 7.7297 119.6225 59.5121 31.9372 178.9424 83 L 3.8473 7.3735 118.0063 57.5885 41.5139 179.1862 84 R 3.6612 7.4085 118.3723 58.7000 29.9536 177.7636 85 L 4.3190 8.1675 117.5314 54.7913 42.3044 177.0478 86 E 3.9264 8.3151 122.1249 57.6492 28.8658 175.6012 87 Y 4.1898 7.2895 114.5490 56.9453 36.7103 173.9878 88 V 4.6874 6.8900 111.6480 60.5365 37.0277 175.7917 89 V 4.7748 8.8305 113.9094 59.9958 35.5666 175.2362 90 T 4.8205 8.0842 111.5772 60.4262 72.2892 173.4077 91 G 3.9655 7.0974 106.6174 46.7137 0.0000 171.7906 92 E 5.3783 8.9489 116.8446 55.6559 32.6857 174.0963 93 F 5.0718 8.3725 113.7497 56.2406 41.6221 173.0060 94 S 5.3824 8.8238 115.8858 57.6772 64.3033 173.3027 95 A 4.7985 8.6423 123.7779 50.6135 22.4879 174.4505 96 P 4.6460 0.0000 0.0000 62.4990 32.0977 176.1094 97 S 4.7424 8.4679 115.4762 56.4840 66.3343 173.5547 98 E 4.0608 8.8741 120.4140 59.2897 29.3485 177.7460 99 T 4.2624 7.8076 107.0125 62.8773 70.0466 174.8141 100 I 4.5215 7.6039 123.0432 58.7271 37.2555 174.0583 101 P 4.3522 0.0000 0.0000 64.8252 32.2806 177.5195 102 N 4.8437 7.5821 116.1547 49.6268 39.1692 172.2839 103 P 4.0738 0.0000 0.0000 65.0558 31.2947 178.0168 104 L 4.4052 7.4138 115.0435 53.9923 42.1491 176.0972 105 A 4.1561 7.9182 122.3992 51.9845 19.4800 176.7820 106 S 4.7687 8.5362 115.5030 55.8490 64.5313 174.7223 107 L 4.4941 8.2689 128.3110 53.4156 39.4808 176.5995 108 A 3.9601 7.5211 125.9538 52.6318 19.1440 178.0873 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 K 8.30 4.12 0.00 1.73 1.85 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.52 7.81 *4 Q 8.02 4.18 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.79 0.00 0.00 0.00 0.00 0.00 2.36 1.91 0.00 5 T 8.15 4.64 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 0.48 0.00 0.00 6 Y 8.41 4.41 0.00 1.43 2.42 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 7 Y 9.07 5.19 0.00 3.08 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 8 Y 8.63 5.67 0.00 3.12 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 9 V 9.02 4.96 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 0.85 0.00 0.00 0.97 0.00 0.00 10 L 9.49 5.54 0.00 2.15 1.85 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.60 4.88 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 12 S 8.63 4.67 0.00 4.06 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 13 R 8.92 3.93 0.00 1.88 2.04 0.00 3.11 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 14 R 8.04 3.88 0.00 1.94 1.97 0.00 3.25 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 15 F 8.38 4.09 0.00 3.18 3.24 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 16 L 8.06 3.95 0.00 1.83 1.74 1.05 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.93 4.58 0.00 1.68 1.69 0.98 0.97 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 18 Q 7.59 4.32 0.00 1.93 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 7.07 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 19 E 8.21 4.01 0.00 1.88 1.91 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 2.36 2.50 0.00 20 E 7.43 4.35 0.00 1.16 1.12 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 2.11 2.07 0.00 21 P 0.00 4.93 0.00 2.19 2.01 0.00 3.33 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.88 0.00 22 I 8.17 4.38 1.94 0.00 0.00 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 1.58 0.93 0.92 0.00 0.00 23 E 8.05 3.95 0.00 2.08 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 2.41 2.44 0.00 24 E 8.18 3.99 0.00 2.05 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 2.33 0.00 25 V 7.81 3.67 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 1.42 0.00 0.00 1.08 0.00 0.00 26 L 8.15 4.07 0.00 1.85 1.89 1.09 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.49 3.95 0.00 1.90 2.00 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.47 7.81 28 E 8.47 3.91 0.00 2.15 2.18 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 2.29 2.32 0.00 29 R 7.95 3.79 0.00 1.62 1.30 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 1.18 0.00 30 T 8.22 3.97 4.44 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 1.21 0.00 0.00 31 R 8.23 3.92 0.00 2.03 2.16 0.00 3.12 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 32 H 8.47 4.16 0.00 3.31 3.55 0.00 5.84 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 33 Y 8.60 3.95 0.00 3.31 3.19 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 0.00 34 H 8.30 4.28 0.00 3.39 3.58 0.00 5.78 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.99 3.89 0.00 2.14 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 0.00 2.44 2.22 0.00 36 Q 7.62 4.18 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 37 E 7.97 3.79 0.00 2.00 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 2.19 2.15 0.00 38 K 8.27 4.41 0.00 1.36 1.22 0.00 1.29 0.00 0.00 0.61 0.00 0.00 2.78 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.10 1.13 7.81 39 E 8.59 4.13 0.00 2.01 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 2.38 2.40 0.00 40 I 8.42 3.50 1.68 0.00 0.00 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 1.37 0.69 -0.28 0.00 0.00 41 D 7.92 4.41 0.00 2.83 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 42 F 5.61 4.94 0.00 3.02 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 43 W 9.73 5.25 0.00 3.37 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 44 L 8.85 4.85 0.00 1.80 1.72 1.04 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 45 V 9.37 4.40 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 1.02 0.00 0.00 1.15 0.00 0.00 46 P 0.00 4.50 0.00 1.98 1.98 0.00 3.89 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 2.05 2.12 0.00 47 Q 8.90 3.07 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.97 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 48 P 0.00 4.54 0.00 1.59 2.13 0.00 3.56 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 1.35 1.66 0.00 49 A 8.75 3.85 1.27 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 50 F 7.72 3.72 0.00 1.96 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 51 L 5.98 3.44 0.00 1.07 1.37 0.68 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 52 E 7.66 4.13 0.00 1.94 1.91 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 2.14 2.35 0.00 53 A 7.23 4.13 1.61 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 0.00 0.00 54 P 0.00 4.26 0.00 2.19 2.13 0.00 3.62 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 2.12 2.09 0.00 55 E 8.19 4.08 0.00 1.95 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 0.00 2.26 2.20 0.00 56 F 8.33 4.54 0.00 3.20 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 57 A 7.87 4.03 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 58 D 8.03 4.35 0.00 2.71 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 59 I 7.78 3.85 2.32 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.99 1.21 0.00 0.00 60 K 8.39 3.96 0.00 1.91 1.98 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.38 7.81 61 A 7.93 4.12 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 62 K 8.03 4.11 0.00 1.87 2.05 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.49 1.52 7.81 63 C 7.26 4.46 0.00 3.11 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 64 P 0.00 4.32 0.00 2.09 1.99 0.00 3.70 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 2.02 2.12 0.00 65 Q 8.22 4.79 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.02 0.00 0.00 0.00 0.00 0.00 2.40 2.26 0.00 66 P 0.00 4.63 0.00 2.07 2.04 0.00 3.55 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 2.10 2.08 0.00 67 A 8.76 5.28 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 68 A 8.89 5.08 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 69 A 9.11 5.25 1.53 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 0.00 0.00 70 I 8.82 5.04 2.00 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 1.41 1.16 1.18 0.00 0.00 71 I 9.18 5.43 2.35 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.00 1.34 0.00 0.00 72 S 9.56 5.38 0.00 4.24 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 73 T 8.70 4.43 4.28 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 0.00 0.00 1.10 0.00 0.00 74 N 8.40 4.71 0.00 2.83 2.90 0.00 0.00 6.78 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 75 S 8.12 3.41 0.00 2.72 3.29 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 76 Q 7.95 3.96 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 77 F 8.88 4.39 0.00 3.00 3.26 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 78 I 7.51 3.49 2.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.03 0.89 0.00 0.00 79 T 8.04 3.83 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 1.19 0.00 0.00 80 W 8.41 4.10 0.00 3.39 3.40 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 81 L 7.89 3.44 0.00 1.67 1.49 0.34 0.55 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 K 7.73 3.81 0.00 1.76 1.90 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.41 7.81 83 L 7.37 3.85 0.00 1.57 1.56 0.94 0.88 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 84 R 7.41 3.66 0.00 0.67 1.16 0.00 3.07 0.00 0.00 2.92 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.36 0.00 85 L 8.17 4.32 0.00 1.70 2.01 0.96 1.10 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 86 E 8.32 3.93 0.00 1.81 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 2.06 2.14 0.00 87 Y 7.29 4.19 0.00 1.64 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 88 V 6.89 4.69 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 0.77 0.00 0.00 0.92 0.00 0.00 89 V 8.83 4.77 2.19 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 0.81 0.00 0.00 1.14 0.00 0.00 90 T 8.08 4.82 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 1.16 0.00 0.00 91 G 7.10 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 0.00 0.00 0.00 92 E 8.95 5.38 0.00 1.55 1.69 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 2.20 2.30 0.00 93 F 8.37 5.07 0.00 3.23 3.49 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 94 S 8.82 5.38 0.00 3.88 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 95 A 8.64 4.80 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 96 P 0.00 4.65 0.00 2.08 2.21 0.00 3.70 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 2.05 2.09 0.00 97 S 8.47 4.74 0.00 3.93 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 98 E 8.87 4.06 0.00 1.96 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 0.00 2.29 2.30 0.00 99 T 7.81 4.26 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 1.22 0.00 0.00 100 I 7.60 4.52 1.84 0.00 0.00 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 1.21 0.81 0.63 0.00 0.00 101 P 0.00 4.35 0.00 2.15 2.16 0.00 3.72 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 1.93 1.95 0.00 102 N 7.58 4.84 0.00 2.71 2.64 0.00 0.00 6.89 8.03 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 0.00 103 P 0.00 4.07 0.00 1.11 1.78 0.00 3.60 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 1.64 1.66 0.00 104 L 7.41 4.41 0.00 1.33 1.40 -0.66 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.92 4.16 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 0.00 106 S 8.54 4.77 0.00 3.86 3.71 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 0.00 107 L 8.27 4.49 0.00 1.52 1.54 0.81 0.61 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 0.00 108 A 7.52 3.96 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 * Residues marked with a * may have inaccurate shift predictions.