NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7603 8.2827 118.2214 52.2602 39.0212 174.7232 3 F 3.8365 8.7953 119.3984 59.7697 39.0669 171.9763 4 V 3.4718 8.6849 119.6101 64.6676 31.6063 177.6241 5 E 3.8733 8.5891 119.4018 58.9856 29.4023 178.8792 6 L 3.8390 7.8051 120.0803 58.2476 41.9443 179.0144 7 A 3.8389 7.4671 119.4560 54.8879 18.3304 179.4720 8 K 4.0755 8.2445 117.7469 59.3692 31.9066 179.6545 9 K 4.0866 7.9780 118.1539 58.2911 32.9847 177.8304 10 R 3.9405 7.3340 120.3550 56.8205 30.2749 174.8192 11 Y 4.8176 7.8440 121.4562 55.3272 41.2296 174.5484 12 S 4.3405 8.6015 116.4389 58.0491 62.6508 173.4571 13 C 4.4448 8.5029 127.1241 57.9601 32.2120 173.4496 14 R 4.0819 8.1413 124.1342 55.1883 30.9858 174.6492 15 N 4.9030 7.3240 117.4386 52.8929 41.9373 172.6859 16 Y 5.1753 8.5845 123.3214 55.8557 41.3550 175.5724 17 Q 4.3371 9.3339 121.6775 56.0510 29.2229 176.8109 18 D 4.4630 8.7994 120.0773 56.8951 41.1748 177.5939 19 R 3.8848 8.0974 118.6559 56.7661 30.2608 176.1172 20 K 4.3160 8.4416 124.0159 55.7749 33.0191 176.6636 21 V 3.9673 8.1558 121.3259 62.3181 32.1780 176.5233 22 E 4.1450 8.8607 127.0726 56.0750 31.2515 177.5876 23 K 3.8193 8.8255 123.6698 60.1642 32.0129 178.8656 24 E 4.0047 8.1509 117.9688 59.2291 29.4059 179.3851 25 K 4.0098 7.9473 118.1458 59.1474 32.3387 178.7088 26 L 3.9170 7.8689 120.6776 58.4960 41.8651 179.0349 27 E 4.0139 8.3257 118.2222 59.3212 29.1478 179.4735 28 K 4.1142 7.6019 117.7995 59.3422 32.3842 179.2811 29 V 3.7223 7.8317 118.4705 66.1000 31.5035 178.1278 30 L 4.0707 8.3448 119.1052 57.7590 41.4171 178.9787 31 D 4.3966 8.1782 119.0291 57.8048 40.8397 179.4552 32 V 3.8134 7.5735 110.2267 63.5734 31.3111 178.3790 33 A 4.0052 7.6836 120.4618 54.8928 18.1888 179.2552 34 R 4.0121 7.8143 116.2031 59.4414 30.4073 178.1414 35 I 3.7753 7.4569 118.0564 63.2835 37.5566 176.8529 36 A 3.8958 7.2726 121.3713 51.8599 18.6715 175.4888 37 P 4.5959 0.0000 0.0000 62.5762 32.6955 175.6160 38 T 4.7746 7.9663 108.1436 59.3295 72.1246 173.4600 39 G 3.7125 9.8545 112.8114 47.1005 0.0000 174.5365 40 G 3.5272 8.8887 111.6570 45.1230 0.0000 172.5069 41 N 4.1781 8.2098 115.4754 54.2159 37.9054 175.7704 42 R 3.9390 8.0454 116.5350 57.0468 30.9095 177.0709 43 Q 3.8852 8.2343 115.9261 55.3045 26.4738 172.1290 44 P 4.7327 0.0000 0.0000 63.3555 33.5907 177.8105 45 Q 4.5666 7.9295 120.3089 56.4621 30.3355 175.1971 46 R 4.6625 9.1847 122.3683 54.8899 33.2816 173.4167 47 L 5.1223 8.6046 126.0453 52.9877 44.5690 176.0870 48 I 4.3699 8.3604 123.3229 59.3520 40.0805 174.8748 49 V 4.0788 8.3664 127.9624 62.4571 32.4938 175.2510 50 I 4.6158 9.0138 128.9411 59.6104 39.7989 175.7683 51 Q 4.7088 8.7540 122.0789 54.6918 30.4481 174.8484 52 E 4.7319 7.7438 118.0451 54.0533 33.7111 176.5079 53 K 3.8697 8.3994 120.8627 59.8093 32.1892 178.4242 54 E 3.9705 8.1927 119.0253 59.3604 29.6480 178.8624 55 G 3.6891 8.0391 105.1993 47.8927 0.0000 175.5715 56 I 3.7765 7.9359 122.1848 64.2849 37.1017 178.3384 57 N 4.3914 8.5861 117.7526 55.9896 38.0630 177.7039 58 K 3.8840 8.0455 119.4944 59.4183 32.4407 178.8707 59 L 4.2131 8.1511 119.2072 58.1990 41.3586 179.9435 60 S 4.6233 7.8893 114.9144 60.8579 62.7394 176.5882 61 K 4.0688 7.8363 120.1230 58.7294 31.9467 178.2661 62 A 4.5434 8.1064 119.8888 52.2932 19.6856 176.2853 63 A 4.5489 6.9116 118.0129 51.1492 22.0513 174.8339 64 N 4.4584 8.3676 118.9140 53.0065 38.5471 174.4704 65 I 4.1887 8.0010 118.4569 59.9336 37.9798 175.2995 66 Y 3.9280 7.9877 116.2931 59.9361 35.7809 169.9819 67 D 4.4230 8.5893 113.9141 54.8515 38.8453 174.0783 68 A 3.6332 7.9726 121.2504 51.7145 18.6325 177.2522 69 P 4.4472 0.0000 0.0000 64.1709 31.9491 176.0953 70 L 4.9192 7.3323 120.7424 53.4689 45.8394 174.3661 71 A 4.8478 9.0093 126.4574 50.1766 23.0254 174.7040 72 I 4.6496 8.4947 122.2673 59.2438 40.0099 174.7144 73 L 4.2140 8.4252 130.5373 54.3745 43.0874 175.7276 74 V 4.2649 8.7892 128.3631 61.8786 32.6003 174.6057 75 C 5.0932 9.1746 126.6757 58.2790 31.0785 173.0002 76 G 4.3393 8.9273 108.4347 44.5616 0.0000 172.1429 77 D 5.1919 8.8748 125.3584 52.8461 41.3146 177.0275 78 K 4.1266 9.0843 127.3317 58.9462 32.0775 178.3263 79 D 4.5967 8.8952 119.0294 55.2436 41.2492 177.0702 80 K 4.4741 7.7271 117.3681 57.0787 34.3096 177.3379 81 V 3.8499 7.7553 117.4034 61.0907 32.0652 175.5779 82 W 4.5402 8.7690 131.9127 57.9941 31.9910 174.5846 83 T 4.5921 8.0219 123.2615 61.3830 69.8570 174.1321 84 R 2.5100 7.9035 128.5322 55.0723 30.2457 175.5973 85 P 4.1903 0.0000 0.0000 65.5114 31.8296 177.5389 86 F 4.1435 8.4615 119.5868 60.6736 39.2022 175.1565 87 D 4.5893 7.8009 114.6267 52.1057 40.1615 176.1393 88 G 3.7367 8.5152 107.8306 45.8630 0.0000 173.5744 89 K 4.0878 7.8001 122.0251 55.7214 32.7326 176.1406 90 Q 4.8514 8.2992 124.8811 54.7919 30.4506 175.4046 91 L 4.5032 8.5089 119.8453 55.4536 42.0918 178.8881 92 T 3.9317 8.1942 117.8597 67.3376 68.3026 175.8148 93 D 4.4841 8.1032 119.7554 57.1820 40.8934 178.7441 94 I 3.7287 7.7362 119.9653 64.4953 37.4086 177.8742 95 D 4.4145 8.4637 120.0600 57.8136 40.6923 179.2402 96 T 3.9553 7.7962 110.0298 64.8870 68.6684 176.6682 97 S 4.5275 8.2272 117.9856 61.1680 62.8471 176.6166 98 I 3.8060 8.0550 122.9342 64.2673 36.6263 178.4806 99 V 3.5170 7.3953 117.2762 66.4315 31.4689 177.9402 100 T 3.7738 7.8382 114.1347 66.3859 68.2255 175.7995 101 D 4.9019 8.5400 119.3766 57.3705 42.8595 177.0369 102 H 4.3824 8.2960 118.0237 56.2153 25.3599 175.4516 *105 L 4.2612 7.6088 123.5380 54.7750 44.3133 179.5594 106 Q 3.9300 8.4991 118.9383 59.1072 28.9521 177.8648 107 A 3.9731 8.0505 121.2899 55.7820 18.4647 179.5341 108 T 4.0442 7.8254 114.7901 66.2510 68.3232 176.2790 109 E 4.0139 7.9491 119.9984 58.9181 29.7196 177.9296 110 L 4.4503 7.5020 116.4789 54.5281 41.8658 177.5420 111 G 3.9590 7.8180 107.0392 45.2863 0.0000 173.1931 112 L 4.2813 7.7045 120.4354 53.2508 42.7707 176.6912 113 A 4.3667 8.5173 126.3898 52.3291 19.4583 176.2359 114 S 5.0353 8.0606 112.5318 57.8165 66.7943 173.4938 115 V 4.8294 8.6420 119.4438 59.9716 34.7603 173.8086 116 W 4.6468 9.0512 134.7585 57.1329 31.7304 175.2203 117 V 4.7569 9.2707 126.9607 61.7287 33.4639 175.3943 118 C 5.0805 9.3643 123.8707 59.9610 30.0494 174.2505 119 Y 4.6048 8.0077 122.6763 55.9597 36.8011 173.7453 120 F 5.1790 7.2044 116.2138 53.7375 41.7710 175.9000 121 N 4.6355 9.1280 121.2496 52.6320 39.0991 174.2193 122 P 4.7199 0.0000 0.0000 65.9627 31.5867 178.1320 123 D 4.3963 8.3428 118.8306 57.1692 40.7118 178.6861 124 I 3.7417 7.9990 119.9141 64.4046 37.2199 178.2024 125 I 3.8897 7.8851 120.6712 64.4607 36.9735 178.3036 126 R 3.9258 8.3527 119.6349 59.4643 30.0594 178.1031 127 E 3.9147 8.3475 118.8714 59.5690 29.5246 178.6926 128 E 3.8001 8.5623 117.3435 58.8170 29.5865 177.9505 129 F 4.4662 8.1648 114.7055 56.2534 39.4977 175.8344 130 S 3.7255 7.6250 115.5765 59.4068 60.7762 172.9470 131 L 4.2050 7.9614 119.2139 53.8146 42.5438 176.3444 132 P 4.5767 0.0000 0.0000 62.2284 32.1843 177.0511 133 D 4.4494 8.5796 119.0052 57.3484 40.9627 177.7696 134 N 4.5594 8.2067 115.8853 54.5341 38.6957 174.5979 135 L 5.0335 7.8859 120.4561 53.1689 43.2334 175.4383 136 E 4.7499 8.9694 126.1968 53.6470 31.7068 172.9935 137 P 4.5948 0.0000 0.0000 63.2775 31.7835 174.7968 138 I 4.5555 8.9557 124.6734 62.4387 38.6811 175.4525 139 N 5.3402 7.9705 118.1628 51.4442 42.9980 172.8897 140 I 4.5510 8.6877 123.1814 59.4952 39.8042 174.3106 141 L 4.5692 8.4487 130.5147 53.6518 43.4806 175.9147 142 L 4.8999 8.2015 126.7383 52.7913 44.4814 175.9118 *144 G 4.0420 8.0678 104.7517 46.6601 0.0000 170.4579 145 Y 5.2429 8.5930 118.0247 55.8290 40.6918 175.5142 146 E 4.3375 8.9348 122.3475 56.5985 30.0555 177.3412 147 S 4.4900 8.6614 118.7013 60.8731 63.7118 173.7518 148 K 4.5964 7.6061 116.2019 54.9602 35.4888 175.3424 149 I 3.7692 8.1468 119.6129 60.7173 37.3570 174.6579 150 P 3.9494 0.0000 0.0000 62.0441 31.9101 175.9939 151 E 3.8397 6.1482 118.4377 55.8102 30.0963 177.1022 152 S 4.1720 8.1939 115.9786 57.6231 63.0004 173.5997 153 P 4.7049 0.0000 0.0000 64.3675 31.1746 176.8661 154 E 4.6397 8.2084 117.6787 55.9851 29.6236 177.8284 155 R 3.9063 7.7010 117.4413 58.4114 30.1272 178.4101 156 H 4.2588 7.6427 115.8802 57.8990 28.8998 177.0459 157 E 3.9779 8.3337 119.4558 58.5337 29.5098 177.4855 158 K 4.3170 8.1353 117.0833 57.2467 33.1762 177.2059 159 T 4.4630 7.6468 106.5884 61.2509 69.3946 173.9911 160 R 4.6904 7.6567 120.2015 54.3480 33.9616 175.5760 161 V 3.8898 8.1348 113.5410 60.3089 32.5708 174.6033 162 P 4.3658 0.0000 0.0000 62.6590 32.0308 177.3855 163 L 3.9725 8.7304 123.0118 58.5337 41.6490 179.5747 164 S 4.2057 8.1306 112.5879 61.3189 62.7817 175.6455 165 E 4.2297 8.1328 120.7718 57.4027 29.5127 176.9934 166 I 4.3022 7.6463 110.5790 60.1870 39.0678 175.6198 167 V 4.2889 7.6573 120.9295 60.9062 33.4471 174.1916 168 S 4.8183 8.1871 119.6278 56.6924 66.2864 171.9364 169 Y 4.5727 8.3769 117.7120 57.2661 39.7712 175.3007 170 E 4.3290 9.3575 129.2731 56.5576 28.2119 174.3157 171 T 4.7358 7.3164 104.4518 58.9319 72.1219 173.6069 172 L 4.4068 8.4367 119.6291 54.6637 41.5928 177.4841 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 N 8.28 4.76 0.00 3.02 3.08 0.00 0.00 5.75 7.23 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 3 F 8.80 3.84 0.00 3.29 3.16 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 0.00 0.00 0.00 0.00 4 V 8.68 3.47 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 0.89 0.00 0.00 0.90 0.00 0.00 5 E 8.59 3.87 0.00 2.21 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 2.31 2.47 0.00 6 L 7.81 3.84 0.00 1.67 1.53 0.92 1.12 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 7 A 7.47 3.84 0.95 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 0.00 0.00 8 K 8.24 4.08 0.00 1.96 2.06 0.00 1.63 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.51 7.81 9 K 7.98 4.09 0.00 1.96 2.04 0.00 1.62 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.71 1.47 7.81 10 R 7.33 3.94 0.00 1.83 2.08 0.00 3.30 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 11 Y 7.84 4.82 0.00 3.08 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 12 S 8.60 4.34 0.00 3.91 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 13 C 8.50 4.44 0.00 2.28 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.14 4.08 0.00 1.42 0.78 0.00 3.06 0.00 0.00 2.65 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.25 0.00 15 N 7.32 4.90 0.00 2.67 2.53 0.00 0.00 6.88 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 16 Y 8.58 5.18 0.00 2.97 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 17 Q 9.33 4.34 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.01 0.00 0.00 0.00 0.00 0.00 2.46 2.72 0.00 18 D 8.80 4.46 0.00 2.70 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 19 R 8.10 3.88 0.00 1.75 1.98 0.00 2.93 0.00 0.00 2.45 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 20 K 8.44 4.32 0.00 1.83 1.76 0.00 1.83 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.39 7.81 21 V 8.16 3.97 2.07 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 0.77 0.00 0.00 0.85 0.00 0.00 22 E 8.86 4.14 0.00 2.16 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 0.00 2.44 2.48 0.00 23 K 8.83 3.82 0.00 1.82 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.56 7.81 24 E 8.15 4.00 0.00 2.11 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 2.41 2.47 0.00 25 K 7.95 4.01 0.00 1.94 1.85 0.00 1.97 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.54 7.81 26 L 7.87 3.92 0.00 1.75 1.86 0.88 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.33 4.01 0.00 2.06 1.98 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 2.32 2.63 0.00 28 K 7.60 4.11 0.00 1.85 1.88 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.63 7.81 29 V 7.83 3.72 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 0.99 0.00 0.00 0.92 0.00 0.00 30 L 8.34 4.07 0.00 1.82 1.68 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.18 4.40 0.00 2.86 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 32 V 7.57 3.81 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 0.77 0.00 0.00 1.03 0.00 0.00 33 A 7.68 4.01 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 34 R 7.81 4.01 0.00 1.81 2.11 0.00 3.24 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 35 I 7.46 3.78 1.91 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 0.75 0.94 0.00 0.00 36 A 7.27 3.90 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 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.60 0.00 2.17 2.04 0.00 3.61 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 38 T 7.97 4.77 4.49 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 1.26 0.00 0.00 39 G 9.85 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 0.00 0.00 0.00 40 G 8.89 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 0.00 0.00 0.00 41 N 8.21 4.18 0.00 2.76 2.82 0.00 0.00 7.11 7.16 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 42 R 8.05 3.94 0.00 1.90 2.14 0.00 3.75 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.83 0.00 43 Q 8.23 3.89 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.91 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 44 P 0.00 4.73 0.00 2.14 2.38 0.00 3.71 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 2.07 2.18 0.00 45 Q 7.93 4.57 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.90 0.00 0.00 0.00 0.00 0.00 2.39 2.27 0.00 46 R 9.18 4.66 0.00 1.85 1.74 0.00 3.08 0.00 0.00 3.15 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 47 L 8.60 5.12 0.00 1.46 1.46 0.86 0.77 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 48 I 8.36 4.37 1.58 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.78 0.82 0.00 0.00 49 V 8.37 4.08 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 0.73 0.00 0.00 0.88 0.00 0.00 50 I 9.01 4.62 1.89 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.46 0.93 0.00 0.00 51 Q 8.75 4.71 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.81 0.00 0.00 0.00 0.00 0.00 2.20 2.35 0.00 52 E 7.74 4.73 0.00 2.01 1.87 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 2.29 2.32 0.00 53 K 8.40 3.87 0.00 1.81 1.80 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.50 7.81 54 E 8.19 3.97 0.00 2.09 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 2.30 2.35 0.00 55 G 8.04 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 0.00 0.00 0.00 56 I 7.94 3.78 1.99 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 1.66 1.15 0.90 0.00 0.00 57 N 8.59 4.39 0.00 2.88 2.84 0.00 0.00 7.04 6.55 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 58 K 8.05 3.88 0.00 1.74 1.52 0.00 1.16 0.00 0.00 0.78 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.43 7.81 59 L 8.15 4.21 0.00 1.90 1.71 0.84 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 60 S 7.89 4.62 0.00 3.99 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 61 K 7.84 4.07 0.00 1.89 1.87 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.65 7.81 62 A 8.11 4.54 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 6.91 4.55 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 64 N 8.37 4.46 0.00 2.44 2.34 0.00 0.00 6.89 7.94 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 65 I 8.00 4.19 1.81 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 1.35 0.80 0.85 0.00 0.00 66 Y 7.99 3.93 0.00 3.40 3.37 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 67 D 8.59 4.42 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 68 A 7.97 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.45 0.00 2.20 2.21 0.00 3.32 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 1.90 2.12 0.00 70 L 7.33 4.92 0.00 1.67 1.37 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 71 A 9.01 4.85 1.08 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 0.00 0.00 72 I 8.49 4.65 1.71 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.58 0.83 0.00 0.00 73 L 8.43 4.21 0.00 1.32 1.16 0.53 -0.04 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 74 V 8.79 4.26 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 0.91 0.00 0.00 0.77 0.00 0.00 75 C 9.17 5.09 0.00 2.92 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 76 G 8.93 4.34 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 0.00 77 D 8.87 5.19 0.00 2.78 2.64 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 0.00 0.00 0.00 0.00 78 K 9.08 4.13 0.00 1.74 1.87 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.45 7.81 79 D 8.90 4.60 0.00 2.84 2.73 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 80 K 7.73 4.47 0.00 1.73 1.85 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.52 7.81 81 V 7.76 3.85 2.22 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 0.68 0.00 0.00 1.08 0.00 0.00 82 W 8.77 4.54 0.00 3.33 3.20 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 0.00 83 T 8.02 4.59 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 1.03 0.00 0.00 84 R 7.90 2.51 0.00 0.92 1.62 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 93 D 8.10 4.48 0.00 2.74 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 94 I 7.74 3.73 2.07 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 1.69 0.68 0.97 0.00 0.00 95 D 8.46 4.41 0.00 2.72 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 96 T 7.80 3.96 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 1.30 0.00 0.00 97 S 8.23 4.53 0.00 4.15 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 0.00 98 I 8.06 3.81 2.03 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 1.46 0.83 0.92 0.00 0.00 99 V 7.40 3.52 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 0.77 0.00 0.00 0.99 0.00 0.00 100 T 7.84 3.77 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 -0.29 0.00 0.00 101 D 8.54 4.90 0.00 3.12 3.07 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 0.00 102 H 8.30 4.38 0.00 3.52 3.30 0.00 5.89 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *105 L 7.61 4.26 0.00 1.96 1.86 1.20 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 8.50 3.93 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.75 0.00 0.00 0.00 0.00 0.00 2.55 2.42 0.00 107 A 8.05 3.97 1.28 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 0.00 0.00 0.00 108 T 7.83 4.04 4.38 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 1.22 0.00 0.00 109 E 7.95 4.01 0.00 2.02 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 0.00 2.34 2.37 0.00 110 L 7.50 4.45 0.00 1.73 1.70 0.92 1.02 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 0.00 111 G 7.82 3.96 0.00 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0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 128 E 8.56 3.80 0.00 1.82 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 2.46 2.35 0.00 129 F 8.16 4.47 0.00 3.20 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 0.00 130 S 7.62 3.73 0.00 4.01 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 0.00 131 L 7.96 4.20 0.00 1.69 1.63 0.94 0.89 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 0.00 132 P 0.00 4.58 0.00 2.41 2.19 0.00 3.72 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.00 0.00 133 D 8.58 4.45 0.00 2.70 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 0.00 134 N 8.21 4.56 0.00 2.78 3.12 0.00 0.00 6.19 6.67 0.00 0.00 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 7.89 5.03 0.00 1.57 1.65 0.92 0.62 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 0.00 136 E 8.97 4.75 0.00 2.06 1.83 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 2.29 2.28 0.00 137 P 0.00 4.59 0.00 2.12 2.00 0.00 3.88 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 2.26 2.12 0.00 138 I 8.96 4.56 1.95 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 1.41 0.97 1.11 0.00 0.00 139 N 7.97 5.34 0.00 2.30 2.09 0.00 0.00 6.79 7.83 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 0.00 140 I 8.69 4.55 1.91 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.14 0.77 0.00 0.00 141 L 8.45 4.57 0.00 1.37 1.30 0.85 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.20 4.90 0.00 1.71 1.38 1.10 0.92 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 *144 G 8.07 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 0.00 145 Y 8.59 5.24 0.00 3.01 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 0.00 146 E 8.93 4.34 0.00 1.99 1.99 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 2.37 2.64 0.00 147 S 8.66 4.49 0.00 3.78 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 0.00 148 K 7.61 4.60 0.00 1.77 1.75 0.00 1.54 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.26 1.40 7.81 149 I 8.15 3.77 1.81 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 1.44 0.51 0.84 0.00 0.00 150 P 0.00 3.95 0.00 1.93 2.27 0.00 3.71 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 1.90 1.98 0.00 151 E 6.15 3.84 0.00 1.58 1.71 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 1.80 2.16 0.00 152 S 8.19 4.17 0.00 3.78 3.66 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 0.00 0.00 0.00 153 P 0.00 4.70 0.00 2.08 2.11 0.00 3.72 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 154 E 8.21 4.64 0.00 1.98 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 2.24 2.36 0.00 155 R 7.70 3.91 0.00 1.87 2.14 0.00 2.68 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.34 0.00 156 H 7.64 4.26 0.00 3.17 3.42 0.00 5.84 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 E 8.33 3.98 0.00 2.19 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 2.30 1.92 0.00 158 K 8.14 4.32 0.00 1.86 1.82 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.49 7.81 159 T 7.65 4.46 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 1.23 0.00 0.00 160 R 7.66 4.69 0.00 1.97 1.83 0.00 3.34 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 161 V 8.13 3.89 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 0.70 0.00 0.00 0.93 0.00 0.00 162 P 0.00 4.37 0.00 2.18 1.99 0.00 3.76 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 2.12 2.09 0.00 163 L 8.73 3.97 0.00 1.76 1.70 0.92 0.90 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 0.00 164 S 8.13 4.21 0.00 4.09 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 0.00 165 E 8.13 4.23 0.00 2.09 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 0.00 2.34 2.31 0.00 166 I 7.65 4.30 1.85 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 1.25 0.61 0.90 0.00 0.00 167 V 7.66 4.29 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 0.51 0.00 0.00 0.87 0.00 0.00 168 S 8.19 4.82 0.00 4.01 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 0.00 169 Y 8.38 4.57 0.00 2.93 2.93 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 0.00 170 E 9.36 4.33 0.00 2.19 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 2.30 2.28 0.00 171 T 7.32 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 1.23 0.00 0.00 172 L 8.44 4.41 0.00 1.66 1.64 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.