NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -6 G 3.9579 8.3549 109.7397 45.0096 0.0000 173.6061 -5 L 4.3456 8.2794 122.0401 54.3380 42.6784 171.5089 -4 V 4.5793 9.2331 115.0913 58.8834 36.9951 172.6066 -3 P 4.7839 0.0000 0.0000 63.4561 31.6733 175.8630 -2 R 4.6883 9.3739 122.7256 54.3472 35.6105 174.8197 -1 G 3.8925 8.6429 110.5519 45.2126 0.0000 174.9758 0 S 4.0985 8.6702 120.7115 61.3827 62.8781 175.6447 1 M 4.3613 7.9111 118.1722 56.3004 32.0421 176.2380 2 I 4.1028 8.1141 118.2221 62.9179 37.9034 176.1349 3 M 3.9988 7.4097 120.1036 55.6908 32.2744 176.7030 4 K 4.2688 8.5496 122.0321 56.1892 33.0073 176.7802 5 D 4.7725 8.4878 121.5557 54.0667 41.8606 177.6277 6 G 3.8792 7.4298 108.2846 45.0807 0.0000 170.9044 7 I 4.9721 7.6759 121.1492 59.8423 39.4191 174.9426 8 Y 4.9882 9.6003 124.2517 56.2197 41.6894 174.5572 9 S 5.0245 9.2154 116.9520 57.3023 64.6901 173.0291 10 I 5.2541 8.7055 125.6118 59.8096 41.7197 174.2301 11 I 4.9304 8.8070 126.0209 59.5514 41.1729 174.4581 12 F 6.0690 8.1204 119.8253 55.2807 42.0603 173.0056 13 I 5.3332 8.4015 119.0638 59.6408 41.7037 174.8795 14 S 5.5595 9.1185 124.3440 56.1951 65.1801 174.6120 15 N 4.0204 7.9348 116.1470 55.2453 37.0545 175.7154 16 E 4.0266 7.4867 116.9701 56.4338 29.5990 176.1336 17 D 4.4836 7.8021 117.4058 55.2460 40.2517 173.2758 18 S 4.8018 7.8099 112.0720 56.6122 64.8782 173.0099 19 C 5.3312 8.2471 120.5718 58.6105 30.8762 173.1211 20 G 4.0161 7.9295 105.8500 45.4104 0.0000 172.0652 21 E 4.9038 8.0807 119.6340 54.6802 33.9548 175.3647 22 G 4.2030 8.3716 107.1066 46.4455 0.0000 171.6827 23 I 5.2259 8.1376 119.3600 59.1007 41.2433 174.7266 24 L 5.3734 8.9883 128.7880 53.4738 45.6612 174.9273 25 I 5.1202 9.4781 127.4122 59.3795 40.6239 174.3399 26 K 4.8917 9.0697 127.0624 56.0735 34.9447 173.7313 27 N 4.6258 9.4576 125.0963 53.7826 38.9596 175.4246 28 G 3.4791 9.5529 104.6790 46.7384 0.0000 173.5421 29 N 4.8981 8.7357 120.2129 52.9587 41.6745 175.4195 30 M 4.5067 7.9051 120.3405 55.2360 33.5860 175.2540 31 I 5.1492 9.0683 124.4292 59.7573 40.7952 174.6031 32 T 5.0780 8.7725 117.0550 60.4372 72.4246 173.8986 33 G 4.2115 7.9763 108.8899 48.1803 0.0000 172.5549 34 G 3.7909 6.9262 110.9278 45.2456 0.0000 170.8353 35 D 5.2346 8.5752 118.8368 51.9280 41.6573 176.0808 36 I 3.8801 8.8693 109.9862 62.7668 38.0260 175.9870 37 A 4.0755 7.8611 121.5524 51.7439 21.3050 175.8882 38 S 5.1271 9.6748 111.1239 57.2392 68.0444 173.6338 39 V 4.2363 8.8633 114.0628 59.8015 35.9001 174.4212 40 Y 5.9618 7.7998 119.5175 55.6349 41.6141 173.9460 41 Q 5.6399 7.9573 119.4755 53.3763 33.5974 174.1991 42 G 4.2398 7.9272 105.9766 45.9443 0.0000 172.1532 43 V 4.8923 8.3636 121.0326 60.3622 33.6213 174.5275 44 L 3.6840 9.1318 131.3010 57.5000 41.8861 178.2043 *45 S 4.0704 9.0800 122.1385 58.0928 61.4138 170.5008 46 E 3.5038 9.0494 119.1459 55.0967 27.0702 172.1680 *47 D 4.5907 7.6264 116.1537 52.5878 39.0484 176.2078 48 E 4.7512 7.4107 116.4286 56.2221 33.4952 174.2282 49 D 4.4308 8.4179 120.7280 54.0374 41.4775 176.5597 50 I 3.8842 8.3360 124.8696 61.6372 37.8974 174.7141 51 I 4.5283 8.2083 128.5810 59.6673 38.7440 175.2328 52 L 4.5891 8.7823 130.1614 53.5032 43.8953 175.0678 53 H 4.6494 9.3016 125.9877 55.5729 30.0066 174.7284 54 V 4.6977 8.2938 124.6039 61.3617 33.3815 173.8373 55 H 5.4024 9.0875 128.1534 53.2057 32.3534 172.4980 56 R 4.4293 8.4374 126.5160 55.6251 29.7862 175.6506 57 Y 4.7758 8.8423 123.4795 56.6855 38.7710 174.8997 58 N 4.7284 6.9703 119.4618 52.7915 39.6170 173.6172 59 Y 4.2384 8.5836 121.0830 58.6234 38.3968 176.6328 60 E 4.2588 8.3293 119.3437 57.3650 29.9939 176.6197 61 I 4.4945 6.9508 119.5741 58.3433 39.5835 173.9154 62 P 4.3955 0.0000 0.0000 62.7136 32.1402 175.3644 63 S 4.7601 8.1899 114.3583 56.2190 63.8712 175.5161 64 V 3.7628 8.5510 126.4913 63.9610 31.0696 176.5813 65 L 4.3693 7.5392 117.8423 53.4926 42.9239 175.7404 66 N 4.1947 7.7580 115.0299 54.3469 36.4613 175.6021 67 I 3.8227 7.8010 119.4483 62.0664 37.8222 176.7336 68 E 3.8991 8.3699 117.2924 56.8300 26.4730 173.4370 69 Q 4.7342 7.5478 114.9049 55.7082 30.5606 172.5239 70 D 4.8855 8.1106 117.7865 55.0709 42.3517 175.4131 71 Y 4.8664 8.0649 118.1743 56.6255 42.1797 172.8512 72 Q 5.0527 8.8673 116.9180 54.1320 32.6062 174.7895 73 L 5.1117 8.5875 122.7347 52.9834 44.8003 175.5921 74 V 4.4751 8.2109 123.4629 61.7634 32.3682 175.1539 75 I 4.2530 8.8291 130.3620 59.4599 37.7923 174.4148 76 P 4.3383 0.0000 0.0000 63.0365 31.6223 176.4765 77 K 4.1582 8.8155 123.1316 58.4180 33.3820 176.5434 78 K 5.1330 7.9170 117.5915 54.7849 34.7092 176.0503 79 V 4.5248 9.0071 121.8230 61.4705 35.9030 173.4593 80 L 4.9480 8.2359 126.2158 54.3408 42.7483 176.1642 81 S 4.9786 9.0531 117.6103 58.0756 66.9515 173.0924 82 N 5.5838 8.9372 118.4704 52.0759 40.8814 174.1971 83 D 4.5257 8.6757 117.2975 57.2348 41.4132 176.6002 84 N 5.1991 8.0712 113.5969 52.6216 41.3238 173.3904 85 N 5.7296 7.8689 115.8224 52.0378 43.7461 173.1018 86 L 5.6349 8.4685 118.0710 56.4098 44.2412 173.3916 87 T 5.8236 8.3369 109.5758 59.6337 72.8057 172.2574 88 L 4.7326 8.3118 120.7893 55.2374 43.9272 173.1246 89 H 5.2839 8.8400 120.3780 54.9231 31.5549 172.8943 90 C 5.1087 9.0087 124.5534 58.1563 30.6903 172.9381 91 H 5.5047 8.5043 118.3781 53.3254 31.9028 173.5045 92 V 4.1334 9.0316 121.1870 62.6478 32.6294 175.3895 93 R 4.0454 8.7324 128.9829 58.6096 29.9955 176.5137 94 G 3.9664 10.6552 113.7063 45.1674 0.0000 173.0620 95 N 4.6052 8.0499 116.1656 53.0416 40.1847 174.4673 96 E 4.2599 8.7484 124.8087 57.8765 29.8116 178.8687 97 K 4.3331 8.4078 120.4325 55.7514 32.3216 181.8595 98 L 4.8608 8.0616 118.3443 53.9838 43.3002 175.7638 99 F 5.2030 8.0963 117.9255 56.0852 42.1182 173.3470 100 V 5.0826 9.2028 111.3562 59.9680 36.3338 174.2811 101 D 5.3247 9.4740 124.7305 52.8245 43.0313 175.4812 102 V 5.0974 9.0997 124.0231 61.2174 34.6691 173.4296 103 Y 5.3859 9.2905 128.6469 55.7918 41.3746 173.8593 104 A 5.0540 8.9275 128.5416 49.7662 22.3120 174.5013 105 K 4.8865 8.6685 123.7672 54.0515 34.9900 175.1482 106 F 3.5763 9.1874 130.8618 58.7173 39.3719 174.0424 107 I 4.2199 6.7948 126.2816 62.1164 38.9751 175.6286 108 E 4.6321 6.0335 116.3590 54.8575 32.0810 173.8010 109 P 5.0673 0.0000 0.0000 61.9554 32.6229 175.8249 110 L 4.2382 8.0776 118.3983 54.2565 42.3161 177.6761 111 V 3.7833 8.1579 119.0548 63.3416 31.4936 175.9147 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 -6 G 8.35 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 0.00 0.00 0.00 -5 L 8.28 4.35 0.00 1.64 1.64 0.98 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 -4 V 9.23 4.58 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 0.75 0.00 0.00 0.99 0.00 0.00 -3 P 0.00 4.78 0.00 1.93 2.01 0.00 3.66 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 2.03 2.13 0.00 -2 R 9.37 4.69 0.00 1.66 1.76 0.00 3.13 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.76 0.00 -1 G 8.64 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 0 S 8.67 4.10 0.00 3.99 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 0.00 1 M 7.91 4.36 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 2 I 8.11 4.10 2.10 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 0.56 0.92 0.00 0.00 3 M 7.41 4.00 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.48 0.00 4 K 8.55 4.27 0.00 1.67 1.68 0.00 1.44 0.00 0.00 1.45 0.00 0.00 2.50 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.36 7.81 5 D 8.49 4.77 0.00 2.75 2.69 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 6 G 7.43 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 0.00 0.00 0.00 7 I 7.68 4.97 1.66 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.59 0.87 0.00 0.00 8 Y 9.60 4.99 0.00 2.93 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 9 S 9.22 5.02 0.00 3.84 3.70 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 10 I 8.71 5.25 2.00 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 1.41 0.62 1.21 0.00 0.00 11 I 8.81 4.93 2.02 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.86 0.85 0.00 0.00 12 F 8.12 6.07 0.00 3.14 3.15 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 0.00 13 I 8.40 5.33 1.92 0.00 0.00 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 1.44 1.64 1.01 0.00 0.00 14 S 9.12 5.56 0.00 3.81 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 15 N 7.93 4.02 0.00 2.39 1.42 0.00 0.00 6.00 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 16 E 7.49 4.03 0.00 1.83 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 2.27 2.22 0.00 17 D 7.80 4.48 0.00 2.80 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 18 S 7.81 4.80 0.00 4.08 3.75 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 19 C 8.25 5.33 0.00 2.78 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 20 G 7.93 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 0.00 0.00 0.00 21 E 8.08 4.90 0.00 1.74 1.75 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 2.05 2.13 0.00 22 G 8.37 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 0.00 0.00 0.00 0.00 23 I 8.14 5.23 1.91 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 1.12 1.49 0.94 0.00 0.00 24 L 8.99 5.37 0.00 1.83 1.51 0.83 0.96 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 25 I 9.48 5.12 2.01 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 1.13 0.55 0.95 0.00 0.00 26 K 9.07 4.89 0.00 1.82 1.79 0.00 1.57 0.00 0.00 1.85 0.00 0.00 2.82 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.53 1.37 7.81 27 N 9.46 4.63 0.00 2.72 2.37 0.00 0.00 7.24 7.81 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 28 G 9.55 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 29 N 8.74 4.90 0.00 2.64 2.95 0.00 0.00 6.85 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 30 M 7.91 4.51 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.58 0.00 31 I 9.07 5.15 2.03 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.71 0.94 0.00 0.00 32 T 8.77 5.08 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 1.21 0.00 0.00 33 G 7.98 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 0.00 0.00 0.00 0.00 34 G 6.93 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 35 D 8.58 5.23 0.00 2.95 3.15 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 0.00 36 I 8.87 3.88 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.05 0.96 0.00 0.00 37 A 7.86 4.08 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 38 S 9.67 5.13 0.00 3.76 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 39 V 8.86 4.24 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 0.69 0.00 0.00 0.94 0.00 0.00 40 Y 7.80 5.96 0.00 2.97 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 41 Q 7.96 5.64 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.97 0.00 0.00 0.00 0.00 0.00 2.33 2.16 0.00 42 G 7.93 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 0.00 0.00 0.00 0.00 43 V 8.36 4.89 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 0.86 0.00 0.00 0.94 0.00 0.00 44 L 9.13 3.68 0.00 1.62 1.66 0.90 0.99 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 *45 S 9.08 4.07 0.00 3.63 3.51 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 46 E 9.05 3.50 0.00 2.09 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 0.00 2.16 2.35 0.00 *47 D 7.63 4.59 0.00 2.81 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 48 E 7.41 4.75 0.00 1.91 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 0.00 2.23 2.32 0.00 49 D 8.42 4.43 0.00 2.64 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 50 I 8.34 3.88 2.07 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.85 0.88 0.00 0.00 51 I 8.21 4.53 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 1.40 0.77 0.70 0.00 0.00 52 L 8.78 4.59 0.00 1.55 1.53 0.83 0.93 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 53 H 9.30 4.65 0.00 3.18 3.21 0.00 5.64 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.29 4.70 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 0.66 0.00 0.00 0.60 0.00 0.00 55 H 9.09 5.40 0.00 3.25 3.12 0.00 5.68 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.44 4.43 0.00 1.70 1.46 0.00 3.01 0.00 0.00 2.85 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 57 Y 8.84 4.78 0.00 3.21 3.23 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 58 N 6.97 4.73 0.00 2.18 2.22 0.00 0.00 7.18 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 59 Y 8.58 4.24 0.00 2.96 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 60 E 8.33 4.26 0.00 2.16 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 2.38 2.33 0.00 61 I 6.95 4.49 1.76 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 1.27 0.57 0.87 0.00 0.00 62 P 0.00 4.40 0.00 2.03 1.98 0.00 3.64 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 2.02 2.07 0.00 63 S 8.19 4.76 0.00 3.79 3.70 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 64 V 8.55 3.76 2.32 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 0.77 0.00 0.00 1.07 0.00 0.00 65 L 7.54 4.37 0.00 1.39 1.44 0.52 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 66 N 7.76 4.19 0.00 2.81 2.85 0.00 0.00 6.97 6.73 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 67 I 7.80 3.82 1.70 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.11 0.93 0.00 0.00 68 E 8.37 3.90 0.00 2.15 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 2.26 2.48 0.00 69 Q 7.55 4.73 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.83 6.99 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 70 D 8.11 4.89 0.00 2.78 2.67 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 0.00 0.00 0.00 0.00 71 Y 8.06 4.87 0.00 3.00 3.03 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 72 Q 8.87 5.05 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.90 0.00 0.00 0.00 0.00 0.00 2.17 2.35 0.00 73 L 8.59 5.11 0.00 1.49 1.47 0.79 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.21 4.48 1.80 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 0.74 0.00 0.00 0.85 0.00 0.00 75 I 8.83 4.25 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 1.16 0.90 0.87 0.00 0.00 76 P 0.00 4.34 0.00 2.04 2.01 0.00 3.66 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 77 K 8.82 4.16 0.00 1.84 1.79 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.47 7.81 78 K 7.92 5.13 0.00 1.65 1.69 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.34 7.81 79 V 9.01 4.52 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 0.99 0.00 0.00 0.92 0.00 0.00 80 L 8.24 4.95 0.00 1.82 1.62 0.94 0.74 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 81 S 9.05 4.98 0.00 4.05 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 82 N 8.94 5.58 0.00 2.79 2.81 0.00 0.00 7.02 8.62 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 83 D 8.68 4.53 0.00 2.61 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 84 N 8.07 5.20 0.00 2.64 2.87 0.00 0.00 6.91 6.92 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 85 N 7.87 5.73 0.00 2.72 2.92 0.00 0.00 6.65 6.74 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 86 L 8.47 5.63 0.00 1.79 1.74 0.83 0.84 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 87 T 8.34 5.82 4.39 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 88 L 8.31 4.73 0.00 1.76 1.77 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 89 H 8.84 5.28 0.00 3.19 3.18 0.00 5.68 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 90 C 9.01 5.11 0.00 2.83 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 91 H 8.50 5.50 0.00 3.38 3.46 0.00 5.46 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 9.03 4.13 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 0.96 0.00 0.00 0.81 0.00 0.00 93 R 8.73 4.05 0.00 1.78 1.88 0.00 3.33 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 94 G 10.66 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 95 N 8.05 4.61 0.00 2.72 2.68 0.00 0.00 7.19 7.06 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 96 E 8.75 4.26 0.00 1.97 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 1.99 2.23 0.00 97 K 8.41 4.33 0.00 1.78 1.72 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.37 1.28 7.81 98 L 8.06 4.86 0.00 1.80 1.53 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 99 F 8.10 5.20 0.00 3.02 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.20 5.08 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 0.61 0.00 0.00 0.82 0.00 0.00 101 D 9.47 5.32 0.00 2.69 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 0.00 102 V 9.10 5.10 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 1.02 0.00 0.00 0.96 0.00 0.00 103 Y 9.29 5.39 0.00 3.10 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 0.00 104 A 8.93 5.05 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 0.00 105 K 8.67 4.89 0.00 1.58 1.59 0.00 1.86 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.61 7.81 106 F 9.19 3.58 0.00 2.89 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 0.00 107 I 6.79 4.22 1.67 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.74 0.76 0.00 0.00 108 E 6.03 4.63 0.00 1.87 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 1.94 2.01 0.00 109 P 0.00 5.07 0.00 2.29 2.32 0.00 3.81 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 110 L 8.08 4.24 0.00 1.69 1.65 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 111 V 8.16 3.78 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 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.