NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.5979 8.4244 118.1141 52.1718 38.7246 173.7045 3 I 3.5574 8.3678 117.9706 63.7472 38.2512 176.2582 4 F 4.1597 9.2289 120.0692 60.7749 39.9917 177.6546 5 E 4.3289 8.5784 117.2486 56.9964 28.5874 178.8311 *7 L 4.2068 7.9600 121.5814 54.8000 43.9477 179.2616 8 R 3.6451 8.3197 118.4960 59.2759 29.6704 178.6314 9 I 3.7040 7.5140 118.5084 64.7253 37.2776 178.0006 10 D 4.5709 8.1590 117.6337 56.7237 40.8436 177.0927 11 E 4.2769 8.5224 117.8937 55.5580 30.7124 177.2770 12 G 3.8177 8.1523 108.3613 44.3688 0.0000 171.6956 13 L 4.9869 8.0385 119.1673 53.3364 44.5415 175.6747 14 R 4.6657 8.8636 124.3956 54.6352 34.0863 175.7525 15 L 4.6144 8.7441 121.3934 54.7501 43.0889 175.9331 16 K 5.1477 7.8082 117.7262 53.9628 35.5446 176.0570 17 I 4.2144 8.1355 123.9139 62.5894 37.6936 174.9064 18 Y 5.0850 9.0543 123.5534 55.6700 42.2975 173.5581 19 K 4.8209 8.7018 119.0794 54.9784 33.7689 177.4404 20 D 4.8246 8.6659 125.3081 52.7243 41.0777 176.8096 21 T 3.8739 8.5158 108.0679 64.5572 68.7347 174.6141 22 E 4.0825 8.3240 119.3896 55.8479 29.8089 176.5294 23 G 3.6427 8.0595 107.2206 45.5307 0.0000 172.6908 24 Y 4.7839 7.9469 117.6316 55.8758 40.2973 174.9813 25 Y 4.7721 8.2855 121.1500 59.1307 39.0446 175.5322 26 T 5.0865 8.9468 119.6910 62.4974 73.9459 172.3206 27 I 4.9347 8.7861 122.4424 59.9320 42.4617 176.5794 28 G 3.9940 9.4757 114.8885 47.2017 0.0000 176.5583 29 I 5.0895 7.7626 118.3963 59.0269 35.8157 174.8218 30 G 4.0443 8.3729 109.6989 46.6206 0.0000 171.3941 31 H 4.4449 8.2945 121.3083 54.0913 28.7368 173.9007 32 L 4.2549 8.0760 128.7737 55.1547 42.6118 176.5639 33 L 4.3229 8.7320 126.6717 56.7726 42.4133 176.7587 34 T 4.2257 7.2347 108.0420 61.5920 69.6622 172.7354 35 K 3.7075 8.2956 123.8172 56.2438 32.6601 177.3810 36 S 4.2735 7.9126 115.1716 57.6002 62.6760 172.2150 37 P 4.4798 0.0000 0.0000 63.6914 31.6828 176.5192 38 S 4.4622 8.3140 115.7690 57.5712 62.8896 173.9444 39 L 3.1836 8.5530 131.6472 58.0624 41.8742 178.4288 40 N 4.2447 8.0784 115.7866 56.1937 38.5370 176.9861 41 A 3.9789 8.1120 121.9271 55.0500 18.4469 179.5430 42 A 3.9405 7.9205 119.2800 55.2862 18.3763 180.0155 43 K 3.8684 8.2525 117.3871 59.4978 32.0702 179.5539 44 S 4.0486 8.1571 113.4090 61.4651 62.3712 175.9864 45 E 3.9726 8.2618 121.2837 59.2763 29.1798 179.1890 46 L 3.9566 8.0773 120.2826 58.2977 42.1539 178.6353 47 D 4.7324 8.1990 120.2972 56.7291 40.5359 178.7885 48 K 3.9035 7.9830 118.6490 59.5345 32.2705 178.4165 49 A 4.1281 7.9639 119.9556 54.9560 18.3715 179.0721 50 I 4.0819 7.8693 117.1291 61.5339 37.5630 177.2737 51 G 3.9256 9.8962 107.2554 45.1240 0.0000 172.6007 52 R 4.4615 7.3521 114.4258 54.3625 32.1868 173.6265 53 N 4.8516 8.5618 117.3533 53.5309 38.4239 174.2453 54 T 4.1915 9.5116 117.6339 61.3879 69.8346 174.8990 55 N 4.2536 8.7951 118.9140 54.3288 38.1894 174.6434 56 G 3.9565 8.4149 102.2962 44.6510 0.0000 173.4950 57 V 5.0352 7.5409 118.4184 60.8511 34.2468 174.5338 58 I 4.9790 8.6910 120.2454 59.2756 41.2008 174.5790 59 T 4.3636 8.8084 112.9047 60.4866 70.5139 176.0142 60 K 3.8981 8.7159 122.5097 59.8470 32.1688 178.3842 61 D 4.3767 8.1054 118.5734 57.5114 40.7986 178.5459 62 E 3.9890 8.2354 118.7092 59.2875 29.4841 179.2015 63 A 4.0671 8.2290 120.8876 55.4235 18.4463 179.6321 64 E 4.1944 8.5989 117.2824 59.1761 29.4561 179.5821 65 K 3.9845 8.2738 119.9051 59.5792 32.2568 178.8336 66 L 4.0516 8.0510 119.2928 57.7667 41.4153 179.3436 67 F 4.6563 8.5398 120.5565 61.5342 39.4026 176.8094 68 N 4.5038 8.5648 116.1739 56.6368 38.3006 177.3610 69 Q 4.0567 8.1957 119.2452 59.1722 28.8403 178.7370 70 D 4.3566 8.6085 120.2486 57.2179 40.8927 179.0176 71 V 3.5956 8.1158 119.0659 65.9348 31.4027 177.4152 72 D 4.3048 8.1150 117.5270 57.5397 41.0093 178.2299 73 A 3.9402 8.3448 121.1499 54.8811 18.3009 179.4179 74 A 3.8740 8.1026 119.3722 55.2917 18.4917 180.0348 75 V 3.3000 7.7388 116.5940 66.2705 31.7358 178.4353 76 R 3.9946 8.2686 118.1834 59.1267 29.6179 179.2980 77 G 3.5765 8.0435 104.8676 47.7292 0.0000 175.4094 78 I 3.7746 7.5481 122.2718 64.2787 36.9233 178.6525 79 L 4.0339 7.5365 117.9939 57.2687 41.5020 178.9373 80 R 4.4168 7.6597 115.7067 55.8122 30.5273 175.8080 81 N 4.5907 7.6731 118.8481 51.9625 38.7356 175.1830 82 A 4.0219 8.6161 128.9017 55.0839 18.4880 178.5976 83 K 4.1371 8.0309 115.6873 58.9739 32.7849 178.6057 84 L 4.1909 8.2076 120.6029 57.3020 42.0591 178.4659 85 K 3.8994 8.3679 120.2925 59.3758 31.8627 176.8440 86 P 4.3824 0.0000 0.0000 65.4399 31.5686 178.5430 87 V 3.7531 7.7553 116.6205 66.1388 31.6456 177.1655 88 Y 4.1054 8.1956 119.2552 61.0753 38.4501 177.9983 89 D 4.4499 8.6014 118.8597 57.0698 40.9525 178.4503 90 S 4.3089 7.7168 113.0598 59.3827 63.5477 174.4926 91 L 4.4847 6.9415 122.5533 53.6237 42.6114 176.6459 92 D 4.5811 8.2805 121.1373 52.8428 41.8023 177.2530 93 A 3.8755 8.3115 121.0855 55.1371 18.3968 180.1176 94 V 3.1429 7.5400 116.2922 66.1458 31.6981 178.4675 95 R 3.6499 8.0945 117.7255 58.9020 29.7346 179.1518 96 R 3.8029 8.1400 118.2768 59.1416 29.9370 178.8161 97 A 3.9723 7.8162 119.8007 55.0893 18.4120 179.4514 98 A 3.5810 7.4864 118.5727 55.0611 18.2103 179.7241 99 A 4.2221 7.9857 119.1731 55.4910 18.4778 179.9143 100 I 3.6816 8.0724 118.4660 64.3666 37.1083 178.0540 101 N 4.2341 8.2906 117.9806 56.6860 38.5874 176.5839 102 L 3.7810 7.6698 120.0729 58.1405 42.2192 178.7129 103 V 3.7084 7.6799 116.9222 65.8649 31.5113 177.3760 104 F 4.2676 8.4506 119.7524 61.2662 39.3117 178.0244 105 Q 4.4321 8.2348 115.8252 56.9615 29.5175 176.7274 *107 G 3.9416 8.3972 107.4747 44.8204 0.0000 176.5529 108 E 4.1277 8.7749 122.9423 58.6020 29.6663 178.1224 109 T 3.8191 7.8967 115.3326 64.4780 68.7446 175.4759 110 G 3.9119 7.8925 109.6081 44.9570 0.0000 173.7993 111 V 4.6069 7.9958 110.5912 60.9598 33.0286 177.5787 112 A 3.9964 8.3266 126.3748 55.3277 18.2220 180.8085 113 G 3.5549 7.9592 103.0686 47.9189 0.0000 174.5192 114 F 4.6581 8.3265 118.8266 57.6977 38.9017 177.2220 115 T 3.9233 7.7283 118.2210 67.2805 68.0795 175.9755 116 N 4.3760 8.0739 115.9621 56.2828 38.6829 177.2659 117 S 4.3200 8.0243 115.2770 61.7003 63.2936 176.2772 118 L 4.1142 8.2945 122.0138 57.4536 41.2734 180.0085 119 R 4.1415 7.9378 115.8398 56.9576 29.7930 178.0471 *121 L 4.2329 7.8652 118.6449 54.3237 43.5723 179.0173 122 Q 3.9254 8.1056 118.2920 59.1265 28.2237 177.0880 123 Q 4.0094 8.1238 115.1327 55.7728 28.9621 176.3050 124 K 2.0000 7.1046 116.3899 57.0159 30.2370 177.5265 125 R 4.0954 6.3321 115.8240 54.5408 27.5664 176.4091 126 W 4.5337 7.5169 122.8522 59.8725 29.7076 177.5436 127 D 4.4738 8.2065 118.3906 57.3859 40.3832 178.5046 128 E 3.9702 8.1934 118.4367 59.3373 29.4698 179.0495 129 A 4.0008 8.4905 121.0141 55.0836 17.9592 179.5128 130 A 4.0330 8.2467 119.2819 55.3090 18.2538 179.9737 131 V 3.5144 7.6272 115.6306 66.2413 32.0243 177.4957 132 N 4.4746 8.3133 116.7342 56.6686 38.5787 176.8258 133 L 4.3378 8.2721 119.7744 57.7563 41.8261 178.8788 134 A 3.9127 7.5857 118.3629 53.0687 19.6898 178.2508 135 K 4.3328 7.4756 119.2943 54.3549 31.0826 176.8270 136 S 4.7390 7.4544 114.7868 55.8116 67.5974 175.0877 137 R 3.9637 8.7445 123.4025 59.4077 29.8109 178.3091 138 W 4.5392 8.5852 127.6991 61.0789 30.5085 177.0713 139 Y 3.4760 8.3954 118.9802 60.7278 38.0260 177.8443 140 N 4.3479 8.0745 115.8400 56.2875 38.6930 176.9889 141 Q 4.2853 8.2639 118.9766 57.0847 30.6052 176.4601 142 T 4.5466 7.6770 109.4555 58.5937 68.5182 172.5849 143 P 3.6654 0.0000 0.0000 65.7139 31.9556 178.5505 144 N 4.1563 7.7627 115.8108 55.9945 38.5518 177.1680 145 R 3.8390 7.7750 119.3493 59.3788 30.3082 178.1832 146 A 3.4197 7.7278 120.6468 54.8518 18.0607 179.6357 147 K 4.0003 8.1308 117.3111 59.6939 32.0899 179.7636 148 R 3.7889 7.8032 117.8564 59.2291 29.9234 179.3325 149 V 3.7331 8.1246 118.0610 66.1190 31.5468 178.1171 150 I 4.0965 8.6224 119.9580 64.9018 36.9873 178.4788 151 T 3.9370 8.3091 116.7881 66.9629 68.1771 176.7908 152 T 3.8555 7.9780 117.5923 66.6819 68.2369 176.7744 153 F 4.2066 8.0062 118.6061 60.5038 38.9650 177.4610 154 R 4.1640 8.3438 118.3399 58.9100 30.0341 177.7101 155 T 4.2963 7.8300 107.3719 60.3599 70.0018 175.0267 156 G 3.5510 7.7333 109.0152 46.2556 0.0000 172.8994 157 T 4.4311 7.2674 107.8513 59.2865 71.7333 173.2245 158 W 5.0056 8.3566 118.5786 56.8789 29.1983 178.3191 159 D 4.3729 8.0398 121.5334 57.5779 40.2365 177.9263 160 A 4.1970 8.0933 119.2873 53.5797 18.8618 177.1851 161 Y 4.6166 8.4111 113.3471 58.5597 40.4330 178.2933 162 K 4.0462 8.4346 117.7486 59.0934 32.8633 177.2610 163 N 4.9339 7.9869 114.8174 52.8029 39.0671 174.4339 164 L 4.1712 7.5806 124.6531 55.1314 41.6686 176.8608 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 8.42 4.60 0.00 2.87 2.88 0.00 0.00 6.00 6.93 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 3 I 8.37 3.56 1.83 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.30 0.66 0.00 0.00 4 F 9.23 4.16 0.00 3.27 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 5 E 8.58 4.33 0.00 1.95 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 2.30 2.40 0.00 *7 L 7.96 4.21 0.00 1.90 1.63 0.28 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.32 3.65 0.00 1.94 2.17 0.00 2.99 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 9 I 7.51 3.70 2.04 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 1.57 0.77 1.05 0.00 0.00 10 D 8.16 4.57 0.00 2.72 2.84 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 11 E 8.52 4.28 0.00 1.93 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 0.00 2.34 2.38 0.00 12 G 8.15 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 0.00 0.00 0.00 13 L 8.04 4.99 0.00 1.45 1.45 0.90 0.78 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 14 R 8.86 4.67 0.00 1.60 1.60 0.00 2.54 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.24 0.00 15 L 8.74 4.61 0.00 1.61 1.91 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.81 5.15 0.00 1.66 1.73 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.45 7.81 17 I 8.14 4.21 1.87 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 1.30 0.66 0.91 0.00 0.00 18 Y 9.05 5.09 0.00 3.01 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 19 K 8.70 4.82 0.00 1.66 1.66 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.26 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.91 1.38 7.81 20 D 8.67 4.82 0.00 2.95 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 21 T 8.52 3.87 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 1.27 0.00 0.00 22 E 8.32 4.08 0.00 1.78 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 2.27 2.32 0.00 23 G 8.06 3.64 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 0.00 0.00 0.00 24 Y 7.95 4.78 0.00 3.11 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 25 Y 8.29 4.77 0.00 2.94 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 26 T 8.95 5.09 3.31 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 1.16 0.00 0.00 27 I 8.79 4.93 1.95 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 1.26 1.49 0.99 0.00 0.00 28 G 9.48 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 0.00 0.00 0.00 29 I 7.76 5.09 1.24 0.00 0.00 0.57 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 1.63 -0.09 0.00 0.00 30 G 8.37 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 31 H 8.29 4.44 0.00 3.38 3.50 0.00 5.79 0.00 0.00 0.00 0.00 6.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.08 4.25 0.00 1.57 1.44 1.01 0.92 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 33 L 8.73 4.32 0.00 1.85 1.72 1.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.23 4.23 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 1.33 0.00 0.00 35 K 8.30 3.71 0.00 1.46 1.24 0.00 1.51 0.00 0.00 1.16 0.00 0.00 2.42 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.30 0.84 7.81 36 S 7.91 4.27 0.00 3.85 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 37 P 0.00 4.48 0.00 2.29 2.19 0.00 3.86 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 38 S 8.31 4.46 0.00 3.97 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 39 L 8.55 3.18 0.00 1.54 1.52 0.31 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.08 4.24 0.00 2.75 2.83 0.00 0.00 7.03 7.19 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 41 A 8.11 3.98 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 42 A 7.92 3.94 1.20 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 43 K 8.25 3.87 0.00 1.88 1.83 0.00 1.60 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.45 7.81 44 S 8.16 4.05 0.00 3.88 4.01 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 45 E 8.26 3.97 0.00 2.20 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 2.50 2.64 0.00 46 L 8.08 3.96 0.00 1.85 1.85 0.94 1.14 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 47 D 8.20 4.73 0.00 2.87 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 48 K 7.98 3.90 0.00 1.85 2.03 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.46 7.81 49 A 7.96 4.13 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 50 I 7.87 4.08 1.87 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 1.66 0.89 0.92 0.00 0.00 51 G 9.90 3.93 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 0.00 52 R 7.35 4.46 0.00 1.95 2.00 0.00 2.97 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 53 N 8.56 4.85 0.00 2.70 2.80 0.00 0.00 6.93 7.70 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 54 T 9.51 4.19 4.46 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 1.31 0.00 0.00 55 N 8.80 4.25 0.00 2.90 2.85 0.00 0.00 7.33 7.86 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 56 G 8.41 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 57 V 7.54 5.04 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 0.89 0.00 0.00 0.94 0.00 0.00 58 I 8.69 4.98 2.01 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 1.32 0.88 0.93 0.00 0.00 59 T 8.81 4.36 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 60 K 8.72 3.90 0.00 1.85 1.86 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.12 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.54 7.81 61 D 8.11 4.38 0.00 2.74 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 62 E 8.24 3.99 0.00 2.22 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 2.34 2.34 0.00 63 A 8.23 4.07 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 64 E 8.60 4.19 0.00 2.20 2.11 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 2.44 2.51 0.00 65 K 8.27 3.98 0.00 1.96 2.01 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.51 7.81 66 L 8.05 4.05 0.00 1.97 1.71 0.80 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 67 F 8.54 4.66 0.00 3.26 3.41 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 68 N 8.56 4.50 0.00 3.06 2.92 0.00 0.00 7.08 7.09 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 69 Q 8.20 4.06 0.00 2.35 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 70 D 8.61 4.36 0.00 3.14 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 71 V 8.12 3.60 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 0.38 0.00 0.00 0.08 0.00 0.00 72 D 8.12 4.30 0.00 2.99 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 73 A 8.34 3.94 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 74 A 8.10 3.87 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 75 V 7.74 3.30 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 0.95 0.00 0.00 0.95 0.00 0.00 76 R 8.27 3.99 0.00 1.82 1.94 0.00 3.32 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.78 0.00 77 G 8.04 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.55 3.77 1.62 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.01 0.45 0.00 0.00 79 L 7.54 4.03 0.00 1.70 1.71 0.91 1.02 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 80 R 7.66 4.42 0.00 1.79 1.95 0.00 3.14 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 81 N 7.67 4.59 0.00 2.86 2.85 0.00 0.00 6.95 8.43 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 82 A 8.62 4.02 1.31 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 0.00 0.00 0.00 83 K 8.03 4.14 0.00 1.87 1.88 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.49 7.81 84 L 8.21 4.19 0.00 1.79 1.65 0.96 0.55 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 85 K 8.37 3.90 0.00 2.05 1.83 0.00 1.96 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.64 1.56 7.81 86 P 0.00 4.38 0.00 2.08 2.12 0.00 3.81 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 2.05 2.16 0.00 87 V 7.76 3.75 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 1.13 0.00 0.00 0.95 0.00 0.00 88 Y 8.20 4.11 0.00 3.15 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 89 D 8.60 4.45 0.00 2.75 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 90 S 7.72 4.31 0.00 4.06 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 91 L 6.94 4.48 0.00 1.64 1.58 1.10 1.35 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 92 D 8.28 4.58 0.00 2.78 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 93 A 8.31 3.88 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 94 V 7.54 3.14 1.78 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 -0.18 0.00 0.00 0.65 0.00 0.00 95 R 8.09 3.65 0.00 1.84 1.99 0.00 2.66 0.00 0.00 2.63 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 96 R 8.14 3.80 0.00 1.85 1.81 0.00 2.87 0.00 0.00 2.57 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 1.44 0.00 97 A 7.82 3.97 1.47 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 0.00 0.00 98 A 7.49 3.58 0.16 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 0.00 0.00 99 A 7.99 4.22 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 0.00 0.00 0.00 0.00 0.00 100 I 8.07 3.68 1.99 0.00 0.00 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 1.42 0.94 0.88 0.00 0.00 101 N 8.29 4.23 0.00 2.84 2.99 0.00 0.00 6.86 6.26 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 0.00 102 L 7.67 3.78 0.00 1.48 1.71 -0.58 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 103 V 7.68 3.71 2.28 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 0.84 0.00 0.00 0.93 0.00 0.00 104 F 8.45 4.27 0.00 3.18 3.22 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 0.00 105 Q 8.23 4.43 0.00 2.33 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.23 0.00 0.00 0.00 0.00 0.00 2.60 2.61 0.00 *107 G 8.40 3.94 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 0.00 0.00 0.00 108 E 8.77 4.13 0.00 1.92 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 2.26 2.26 0.00 109 T 7.90 3.82 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 1.24 0.00 0.00 110 G 7.89 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 0.00 0.00 0.00 111 V 8.00 4.61 2.23 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 0.80 0.00 0.00 0.97 0.00 0.00 112 A 8.33 4.00 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 0.00 113 G 7.96 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 F 8.33 4.66 0.00 3.28 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 2.29 2.41 0.00 124 K 7.10 2.00 0.00 1.44 1.02 0.00 1.66 0.00 0.00 1.89 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.94 1.13 7.81 125 R 6.33 4.10 0.00 1.68 1.76 0.00 3.02 0.00 0.00 3.22 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.60 0.00 126 W 7.52 4.53 0.00 3.36 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 0.00 127 D 8.21 4.47 0.00 2.82 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 0.00 128 E 8.19 3.97 0.00 2.12 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 2.39 2.37 0.00 129 A 8.49 4.00 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 0.00 130 A 8.25 4.03 1.50 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 0.00 0.00 131 V 7.63 3.51 2.23 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 0.81 0.00 0.00 1.00 0.00 0.00 132 N 8.31 4.47 0.00 2.91 2.96 0.00 0.00 7.27 5.95 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 0.00 133 L 8.27 4.34 0.00 1.99 2.15 0.89 0.60 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 0.00 134 A 7.59 3.91 0.54 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 0.00 0.00 135 K 7.48 4.33 0.00 1.97 1.80 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.50 7.81 136 S 7.45 4.74 0.00 4.22 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 0.00 137 R 8.74 3.96 0.00 1.95 2.07 0.00 3.25 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.76 0.00 138 W 8.59 4.54 0.00 3.67 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Y 8.40 3.48 0.00 3.07 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 0.00 140 N 8.07 4.35 0.00 2.96 2.90 0.00 0.00 7.11 7.00 0.00 0.00 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 Q 8.26 4.29 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.22 0.00 0.00 0.00 0.00 0.00 2.67 2.55 0.00 142 T 7.68 4.55 4.17 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 0.00 0.00 0.00 1.24 0.00 0.00 143 P 0.00 3.67 0.00 1.86 1.79 0.00 3.68 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 1.86 1.70 0.00 144 N 7.76 4.16 0.00 2.69 2.81 0.00 0.00 6.79 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 0.00 145 R 7.78 3.84 0.00 1.89 1.90 0.00 3.31 0.00 0.00 3.64 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.84 0.00 146 A 7.73 3.42 0.10 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 0.00 147 K 8.13 4.00 0.00 1.91 1.87 0.00 1.59 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.61 1.59 7.81 148 R 7.80 3.79 0.00 1.96 1.46 0.00 2.21 0.00 0.00 2.71 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.62 0.00 149 V 8.12 3.73 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 1.30 0.00 0.00 1.28 0.00 0.00 150 I 8.62 4.10 2.10 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.05 1.06 0.00 0.00 151 T 8.31 3.94 4.45 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 1.22 0.00 0.00 152 T 7.98 3.86 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 0.63 0.00 0.00 153 F 8.01 4.21 0.00 3.26 3.02 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 0.00 154 R 8.34 4.16 0.00 1.96 2.12 0.00 3.28 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 155 T 7.83 4.30 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 1.21 0.00 0.00 156 G 7.73 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 T 7.27 4.43 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 1.18 0.00 0.00 158 W 8.36 5.01 0.00 3.47 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 0.00 159 D 8.04 4.37 0.00 2.72 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 0.00 160 A 8.09 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 Y 8.41 4.62 0.00 3.22 2.99 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 0.00 162 K 8.43 4.05 0.00 1.91 2.06 0.00 1.58 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.67 1.53 7.81 163 N 7.99 4.93 0.00 2.72 2.84 0.00 0.00 6.95 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 0.00 164 L 7.58 4.17 0.00 1.63 1.57 0.86 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 * Residues marked with a * may have inaccurate shift predictions.