NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.4725 8.3349 116.7961 58.3492 65.0161 174.4596 0 M 4.1621 7.8743 117.9068 55.8356 32.9439 175.3309 1 S 4.2553 8.6928 115.9063 58.3211 64.6252 173.7834 2 K 4.5054 8.4888 124.0088 56.9158 33.1792 175.9677 3 T 5.4267 8.3759 112.0829 60.6150 72.4487 172.4031 4 I 4.4339 8.4888 121.9043 59.0463 41.1176 174.0098 5 V 4.7627 8.3676 128.4133 61.1417 33.5895 174.2990 6 L 4.6774 8.8569 129.0314 53.0692 43.5377 175.7022 7 S 4.8180 8.6423 119.8322 57.4045 64.3748 174.1956 8 V 4.1397 8.4756 125.7557 61.3055 32.5565 176.9222 9 G 3.8090 8.1587 119.6821 46.9271 0.0000 175.0951 10 E 4.0637 9.1562 124.8324 57.3126 30.0260 176.1042 11 A 4.7126 7.7950 122.3590 50.7559 20.9030 175.6474 12 T 5.1333 8.0548 108.6259 60.0152 72.3440 173.7642 13 R 4.5351 9.0412 121.8122 55.0241 33.6898 174.2546 14 T 4.7863 8.5398 121.4486 62.1890 70.6500 173.7484 15 L 4.8208 9.0578 127.6455 53.6444 43.7140 175.7407 16 T 5.0135 8.8497 121.8725 61.9631 70.5283 174.0583 17 E 3.8820 9.0224 128.2964 56.3031 29.5928 176.3418 18 I 4.4296 8.3455 119.7305 60.8018 39.4440 175.3554 19 Q 4.5606 7.4130 122.7179 55.2867 32.4309 172.6560 20 S 4.9532 8.4450 119.9245 57.3384 65.7167 172.9565 21 T 4.7053 9.0367 122.5053 61.1947 72.5475 174.5486 22 A 4.0847 8.8526 125.8485 55.5638 18.7142 178.9702 23 D 4.5377 8.2074 114.4872 55.3839 40.3809 175.9971 24 R 5.1846 7.5328 118.2729 54.2396 33.9556 174.1658 25 Q 5.0049 9.6294 121.5589 54.4305 33.9189 174.0490 26 I 5.1160 8.6939 122.5825 59.7217 41.1662 174.2333 27 F 5.1895 9.5692 126.2302 55.6315 41.7215 174.3927 28 E 5.1442 9.4355 123.4339 54.1851 33.4373 174.0511 29 E 4.6402 8.9264 127.4003 54.5603 29.9851 177.9852 30 K 4.3909 8.2421 130.7586 55.1186 31.0456 176.7822 31 V 4.3916 7.0966 117.3819 62.3378 35.6109 175.8066 32 G 3.8384 8.6476 111.7372 43.7860 0.0000 171.1490 33 P 4.3907 0.0000 0.0000 62.6082 31.8675 176.7617 34 L 4.1231 8.3783 120.8972 57.3326 41.9142 178.2717 35 V 3.8356 7.6562 111.8794 61.8559 32.1904 175.8978 36 G 3.8885 8.7814 111.1813 46.5383 0.0000 174.0361 37 R 4.0780 7.8751 117.5733 55.1687 30.8848 176.3974 38 L 4.2934 8.4459 123.5265 55.5333 43.3546 175.5791 39 R 5.1065 8.7875 125.4766 54.4262 33.8896 173.3155 40 L 5.1719 9.3749 128.1545 53.7726 44.6088 174.8056 41 T 5.2193 8.9113 123.3841 62.0039 70.8230 173.7265 42 A 5.3623 9.4053 127.5159 50.4562 23.0862 174.9330 43 S 5.1119 9.0899 114.3212 56.8639 67.0638 172.6085 44 L 5.3662 8.3684 122.8167 53.5408 44.4978 175.9608 45 R 4.8082 8.7768 123.7935 54.8129 34.6998 174.7799 46 Q 4.5290 8.7733 122.5202 55.4972 29.9647 175.5395 47 N 4.5474 8.6228 119.8343 52.0784 38.8215 176.3766 48 G 3.5939 8.8212 108.1759 48.8051 0.0000 175.0198 49 A 3.9867 7.9010 120.8485 52.6591 18.5348 177.5585 50 K 3.7296 7.8644 114.0684 57.6099 30.2791 176.3599 51 T 4.4546 7.8947 109.5291 62.3807 70.4338 173.8935 52 A 5.1332 7.7612 122.8131 50.9036 23.0801 174.4276 53 Y 5.1725 9.5258 117.4693 56.2797 41.9609 175.3207 54 R 5.0935 9.4404 120.7253 54.5979 33.4361 174.8191 55 V 4.6002 8.6495 125.2127 61.9251 33.2606 174.2672 56 N 5.5699 9.0110 125.2810 51.5489 41.5100 173.7213 57 L 5.3438 8.7551 122.1363 52.9038 46.3084 175.6367 58 K 4.8145 9.2607 124.0453 54.9068 35.6773 174.5025 59 L 5.0313 9.0146 130.9773 53.8033 43.8799 174.6704 60 D 5.2383 9.0081 127.5127 52.9478 43.0171 175.5014 61 Q 4.6494 9.2680 126.4777 54.2652 30.3828 174.5301 62 A 4.7911 8.5130 127.9836 51.4024 20.3348 175.9378 63 D 4.5925 8.7977 120.0891 52.6767 43.0447 175.2351 64 V 4.6921 8.2235 119.6561 59.8311 33.4589 175.9598 65 V 4.3098 8.4219 118.5608 59.4681 34.1303 175.2997 66 D 4.9528 8.0726 121.4673 52.8253 41.0219 176.4082 67 S 4.4447 7.5810 115.9063 55.3684 63.0834 174.3272 68 G 4.0014 8.3310 121.2808 45.6686 0.0000 171.4126 *75 L 4.5998 8.0298 116.0264 53.3922 43.7028 175.2598 76 P 4.7125 0.0000 0.0000 63.1178 32.6127 176.0585 77 K 4.2395 8.2613 120.5613 55.5240 36.0538 174.6448 78 V 4.0207 8.4802 128.7695 63.3284 31.4422 175.5437 79 R 4.2385 9.3665 130.5226 59.1474 30.4619 175.5288 80 Y 5.0150 7.0361 114.4593 56.2662 41.8386 173.0423 81 T 5.2290 8.6246 115.3204 61.9412 72.0386 173.6723 82 Q 4.8726 9.0850 123.9858 54.1785 32.2335 174.8154 83 V 5.0128 8.3386 121.0252 60.9914 35.3534 174.5591 84 W 4.9417 9.2461 135.0000 55.9089 33.1798 174.1510 85 S 5.5084 8.8647 121.5865 57.1846 65.5648 173.0540 86 H 5.0844 9.4955 117.1389 54.2232 32.9411 172.6011 87 D 4.7687 8.8116 120.8166 52.9963 43.7739 174.1915 88 V 4.4252 8.9076 127.1238 61.3976 34.0215 174.3200 89 T 5.0056 8.6437 124.7427 62.3152 69.7794 173.8895 90 I 4.5702 8.6582 127.9910 59.4016 40.2549 175.0146 91 V 4.4142 8.3528 126.2870 61.5842 32.5314 176.7821 92 A 4.2956 8.8973 131.3819 54.9614 18.4531 177.7815 93 N 4.8821 8.0536 111.4408 52.6852 37.6830 175.3403 94 S 4.3968 7.7902 113.6290 58.3412 63.8102 174.7565 95 T 4.0505 8.2269 112.9434 61.6202 70.5604 174.9507 96 E 3.9617 8.8416 123.3639 59.6192 29.5736 179.0680 97 A 4.0183 8.0451 120.4357 55.2374 18.5892 179.5307 98 S 4.0943 7.9899 112.2491 61.7147 62.9272 177.0261 99 R 4.0348 7.6678 120.2680 58.6112 29.8847 178.8425 100 K 4.0119 8.2779 119.6741 59.4764 32.1703 178.7175 101 S 4.0989 8.4189 113.8598 61.3901 62.2743 175.9205 102 L 3.9483 7.8728 122.5615 58.2181 41.7578 178.2167 103 Y 3.9564 8.0642 119.3804 60.8384 38.7950 177.7938 104 D 4.1784 8.6913 119.9216 57.4878 40.9488 178.8842 105 L 3.9912 8.2003 119.6805 58.1056 41.4846 179.8409 106 T 3.8855 7.8129 115.7429 66.1440 68.5229 176.7949 107 K 3.6490 7.7953 121.8362 59.4573 31.9186 178.7429 108 S 4.0098 7.6661 111.9712 61.1732 62.7202 175.4134 109 L 4.0746 7.9607 123.0457 58.4566 41.6428 179.1909 110 V 3.7091 7.7979 116.5040 65.9243 31.5348 177.4761 111 A 4.1236 7.7640 119.0124 53.3513 18.8965 177.9806 112 T 4.0661 7.2290 108.0261 61.4350 69.6919 175.9969 113 S 4.2037 8.6281 119.4627 61.6292 62.8357 176.9351 114 Q 3.9935 8.0613 120.5724 59.1556 28.6462 179.0276 115 V 3.6788 7.6731 118.9987 65.6487 31.4190 177.6829 116 E 4.0071 8.1391 118.8404 59.4690 29.4756 178.5234 117 D 4.3438 8.4727 119.3014 57.1536 40.9030 178.5254 118 L 4.2861 7.8780 122.1394 57.7911 41.9156 179.3268 119 V 3.5239 7.4638 116.4171 65.6622 31.5616 177.6490 120 V 3.9597 7.9636 117.1219 64.4772 30.6449 176.1224 121 N 4.8975 8.0685 112.8051 51.8220 39.9540 174.4369 122 L 3.5925 7.7611 116.6398 55.6123 39.8594 174.4062 123 V 4.0000 7.0335 115.9925 60.9129 32.1406 173.7176 124 P 4.3423 0.0000 0.0000 62.6584 31.7620 176.1495 125 L 4.0955 8.1000 120.9091 54.9646 42.2931 177.4739 126 G 3.9664 10.0209 109.0358 46.4383 0.0000 174.2946 127 R 4.1952 8.2750 122.3190 56.3953 30.9739 175.2679 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 S 8.33 4.47 0.00 3.88 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 0 M 7.87 4.16 0.00 2.08 2.11 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 2.54 2.63 0.00 1 S 8.69 4.26 0.00 3.87 3.82 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 2 K 8.49 4.51 0.00 1.76 1.86 0.00 1.67 0.00 0.00 1.93 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.46 7.81 3 T 8.38 5.43 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 1.27 0.00 0.00 4 I 8.49 4.43 1.37 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.07 0.44 0.00 0.00 5 V 8.37 4.76 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 0.86 0.00 0.00 0.92 0.00 0.00 6 L 8.86 4.68 0.00 1.57 1.52 0.86 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.64 4.82 0.00 3.85 3.86 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 8 V 8.48 4.14 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 0.91 0.00 0.00 9 G 8.16 3.81 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 0.00 0.00 0.00 10 E 9.16 4.06 0.00 1.97 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 2.30 2.24 0.00 11 A 7.79 4.71 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 12 T 8.05 5.13 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 1.20 0.00 0.00 13 R 9.04 4.54 0.00 1.69 1.83 0.00 3.11 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 14 T 8.54 4.79 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 15 L 9.06 4.82 0.00 1.72 1.75 0.95 0.59 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 16 T 8.85 5.01 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 1.22 0.00 0.00 17 E 9.02 3.88 0.00 1.47 1.67 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 2.02 1.67 0.00 18 I 8.35 4.43 1.83 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 1.06 0.78 0.95 0.00 0.00 19 Q 7.41 4.56 0.00 2.06 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 20 S 8.44 4.95 0.00 3.88 3.61 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 21 T 9.04 4.71 4.31 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 22 A 8.85 4.08 1.30 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 0.00 0.00 23 D 8.21 4.54 0.00 2.86 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 24 R 7.53 5.18 0.00 2.00 1.77 0.00 3.06 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 25 Q 9.63 5.00 0.00 2.12 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.53 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 26 I 8.69 5.12 1.81 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 0.82 0.92 0.00 0.00 27 F 9.57 5.19 0.00 2.88 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 28 E 9.44 5.14 0.00 1.96 1.74 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 2.21 2.25 0.00 29 E 8.93 4.64 0.00 2.03 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 2.33 2.33 0.00 30 K 8.24 4.39 0.00 1.80 1.77 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.44 7.81 31 V 7.10 4.39 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 0.80 0.00 0.00 0.94 0.00 0.00 32 G 8.65 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 33 P 0.00 4.39 0.00 2.22 2.00 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 34 L 8.38 4.12 0.00 1.63 1.73 0.92 0.93 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 35 V 7.66 3.84 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 0.68 0.00 0.00 0.92 0.00 0.00 36 G 8.78 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 37 R 7.88 4.08 0.00 2.01 2.03 0.00 3.22 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.68 0.00 38 L 8.45 4.29 0.00 1.79 1.57 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.79 5.11 0.00 2.04 1.74 0.00 3.12 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 40 L 9.37 5.17 0.00 1.75 1.60 0.93 0.55 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 41 T 8.91 5.22 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 1.31 0.00 0.00 42 A 9.41 5.36 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 43 S 9.09 5.11 0.00 4.00 3.95 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 44 L 8.37 5.37 0.00 1.65 1.59 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.78 4.81 0.00 1.83 1.77 0.00 3.20 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 46 Q 8.77 4.53 0.00 1.85 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.06 0.00 0.00 0.00 0.00 0.00 1.82 1.45 0.00 47 N 8.62 4.55 0.00 2.75 2.90 0.00 0.00 7.05 6.20 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 48 G 8.82 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 7.90 3.99 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 50 K 7.86 3.73 0.00 1.86 1.81 0.00 1.66 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.30 7.81 51 T 7.89 4.45 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 1.24 0.00 0.00 52 A 7.76 5.13 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 53 Y 9.53 5.17 0.00 2.85 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 54 R 9.44 5.09 0.00 1.70 1.86 0.00 3.32 0.00 0.00 3.12 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 55 V 8.65 4.60 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 1.05 0.00 0.00 0.95 0.00 0.00 56 N 9.01 5.57 0.00 2.80 2.73 0.00 0.00 6.35 6.03 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 57 L 8.76 5.34 0.00 1.65 1.53 0.82 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 58 K 9.26 4.81 0.00 1.84 1.68 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.49 1.45 7.81 59 L 9.01 5.03 0.00 1.86 1.62 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 60 D 9.01 5.24 0.00 2.68 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 61 Q 9.27 4.65 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.92 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 62 A 8.51 4.79 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 63 D 8.80 4.59 0.00 2.04 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 64 V 8.22 4.69 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 0.77 0.00 0.00 0.90 0.00 0.00 65 V 8.42 4.31 2.06 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 0.82 0.00 0.00 0.93 0.00 0.00 66 D 8.07 4.95 0.00 2.53 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.58 4.44 0.00 4.01 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 68 G 8.33 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 0.00 0.00 0.00 *75 L 8.03 4.60 0.00 1.67 1.65 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.71 0.00 1.92 1.97 0.00 3.71 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 2.27 0.00 77 K 8.26 4.24 0.00 1.81 1.59 0.00 1.51 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.31 1.38 7.81 78 V 8.48 4.02 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 0.76 0.00 0.00 0.91 0.00 0.00 79 R 9.37 4.24 0.00 1.70 1.62 0.00 3.38 0.00 0.00 3.27 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.61 0.00 80 Y 7.04 5.01 0.00 3.03 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 81 T 8.62 5.23 4.31 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 82 Q 9.08 4.87 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 83 V 8.34 5.01 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 0.94 0.00 0.00 1.03 0.00 0.00 84 W 9.25 4.94 0.00 3.55 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 85 S 8.86 5.51 0.00 4.08 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 86 H 9.50 5.08 0.00 3.06 3.26 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.81 4.77 0.00 2.67 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 88 V 8.91 4.43 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.00 0.00 0.00 89 T 8.64 5.01 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 1.25 0.00 0.00 90 I 8.66 4.57 1.99 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.08 0.95 0.00 0.00 91 V 8.35 4.41 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 1.03 0.00 0.00 0.96 0.00 0.00 92 A 8.90 4.30 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 0.00 0.00 0.00 0.00 0.00 0.00 93 N 8.05 4.88 0.00 2.86 2.93 0.00 0.00 6.05 7.64 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 94 S 7.79 4.40 0.00 4.05 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 95 T 8.23 4.05 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 96 E 8.84 3.96 0.00 2.05 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 2.37 0.00 97 A 8.05 4.02 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 98 S 7.99 4.09 0.00 4.08 4.16 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 99 R 7.67 4.03 0.00 2.07 2.02 0.00 3.11 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 100 K 8.28 4.01 0.00 1.88 1.98 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.68 7.81 101 S 8.42 4.10 0.00 3.95 4.09 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 0.00 0.00 0.00 102 L 7.87 3.95 0.00 2.00 1.87 0.95 0.70 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 0.00 103 Y 8.06 3.96 0.00 3.18 3.18 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 0.00 104 D 8.69 4.18 0.00 2.88 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 0.00 105 L 8.20 3.99 0.00 1.70 1.70 0.95 0.63 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 0.00 106 T 7.81 3.89 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 0.00 107 K 7.80 3.65 0.00 1.19 1.63 0.00 1.52 0.00 0.00 1.45 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.31 1.30 7.81 108 S 7.67 4.01 0.00 3.87 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 0.00 109 L 7.96 4.07 0.00 1.95 1.85 0.94 0.78 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 0.00 110 V 7.80 3.71 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 0.67 0.00 0.00 1.04 0.00 0.00 111 A 7.76 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 0.00 112 T 7.23 4.07 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 1.28 0.00 0.00 113 S 8.63 4.20 0.00 3.90 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 0.00 114 Q 8.06 3.99 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 115 V 7.67 3.68 2.25 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 1.20 0.00 0.00 1.07 0.00 0.00 116 E 8.14 4.01 0.00 2.14 2.14 0.00 0.00 0.00 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 2.41 0.00 117 D 8.47 4.34 0.00 2.98 2.71 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 0.00 118 L 7.88 4.29 0.00 1.92 1.82 0.95 0.72 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 0.00 119 V 7.46 3.52 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 0.84 0.00 0.00 0.66 0.00 0.00 120 V 7.96 3.96 2.21 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 0.92 0.00 0.00 0.99 0.00 0.00 121 N 8.07 4.90 0.00 2.87 2.74 0.00 0.00 6.95 6.66 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 0.00 122 L 7.76 3.59 0.00 1.80 1.71 0.88 0.86 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 0.00 123 V 7.03 4.00 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 0.96 0.00 0.00 0.92 0.00 0.00 124 P 0.00 4.34 0.00 2.07 1.97 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 125 L 8.10 4.10 0.00 1.63 1.61 0.92 1.01 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 0.00 126 G 10.02 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 0.00 127 R 8.27 4.20 0.00 1.75 1.78 0.00 3.41 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 1.51 1.52 0.00 * Residues marked with a * may have inaccurate shift predictions.