NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4851 8.1633 120.3255 55.0118 33.4859 175.5440 2 D 4.4864 8.7267 118.4462 56.6627 40.8669 175.1817 3 K 4.6752 7.4498 115.0614 54.2845 37.2351 175.7499 4 V 3.9790 8.2976 122.0326 61.6686 33.3160 174.5160 5 Y 4.5822 8.2552 126.8253 55.0477 36.7798 174.4995 6 L 4.1950 7.4904 122.2975 54.7558 42.8008 177.0830 7 T 4.3424 8.7830 113.6807 60.2950 70.6305 175.9462 8 W 4.2905 8.8005 121.5241 59.7493 29.0187 178.5788 9 W 4.2852 8.5636 127.8152 60.5907 30.2687 177.8016 10 Q 3.7170 8.5280 118.0364 58.9815 28.1330 179.0995 11 V 3.8156 7.9580 119.1252 66.1456 31.5644 177.7303 12 D 4.3187 8.6889 118.9881 57.5269 40.6151 179.0710 13 R 3.8902 8.1600 118.6120 58.9397 29.8526 178.8852 14 A 3.8640 8.0900 120.5886 55.2754 18.4374 179.6310 15 I 3.6568 8.0997 118.5805 64.6793 37.1992 178.6316 16 F 4.5278 8.2666 118.3022 60.5913 38.6002 177.5885 17 A 4.0101 8.3297 120.4341 55.1540 18.2270 179.6815 18 L 3.9054 8.2786 117.5812 57.8724 41.8292 179.3936 19 A 3.9740 8.4418 121.1085 55.3999 18.0599 179.2744 20 E 3.9057 8.0296 116.3950 59.4466 29.4817 178.9353 21 K 4.1842 7.8646 118.6437 59.2218 32.0653 179.3684 22 L 3.8696 7.9163 119.2463 57.3405 40.9685 179.3057 23 R 3.8799 7.8694 118.1256 59.4285 29.6939 178.4725 24 E 3.7956 7.7231 117.2252 59.2006 29.7310 177.8245 25 Y 4.3769 8.2456 119.0008 57.6392 40.1292 175.0222 26 K 3.7076 7.2637 117.2355 56.5791 29.4842 172.4146 27 P 4.3094 0.0000 0.0000 62.3583 32.6042 176.2993 28 D 4.6340 9.0082 122.4498 56.2531 41.7867 177.2438 29 V 4.5610 7.5939 116.2016 61.1190 35.8157 173.8426 30 I 4.8329 8.3821 126.3122 59.6124 39.9652 174.5914 31 I 4.7756 8.9521 128.6268 59.5890 39.1281 174.7724 32 G 4.1537 8.5505 115.8704 45.0498 0.0000 172.2238 33 V 4.3341 8.5840 125.4924 62.6206 32.9107 174.7062 34 A 4.8206 8.5390 128.9408 51.0362 20.0567 177.4883 35 R 4.3565 8.5922 118.1725 56.0445 31.4895 178.8471 36 G 3.9934 7.5581 106.6262 47.7382 0.0000 174.8570 37 G 3.7311 8.2651 107.6844 46.1916 0.0000 175.6979 38 L 3.8130 7.4462 121.1631 57.8481 41.4794 179.1772 39 I 3.5148 7.0386 118.8993 63.9971 37.0620 176.5505 40 P 4.2074 0.0000 0.0000 65.5952 31.1117 178.5571 41 A 3.9874 8.1121 119.6272 54.7982 18.1867 179.8912 42 V 3.4704 7.8025 116.9089 66.2399 31.5812 178.4504 43 R 3.8712 7.6276 117.6958 59.4369 30.0031 179.2119 44 L 3.9672 8.0232 118.5163 57.4803 41.3141 179.5599 45 S 4.0564 8.1805 113.6050 61.6316 62.4073 175.6697 46 H 4.2165 8.1840 120.6305 59.3774 29.7724 176.8898 47 I 3.7649 7.9650 121.9053 64.6135 36.7575 178.0533 48 L 4.2862 7.6577 116.4897 54.7979 41.7772 177.4047 49 G 3.8218 7.6851 105.9295 46.3208 0.0000 173.8816 50 D 4.4540 7.7309 115.2864 54.8000 39.0436 174.3200 51 I 4.2567 7.2782 111.0306 59.4945 39.3498 174.9845 52 P 4.3729 0.0000 0.0000 63.6156 32.2857 174.5546 53 L 5.0569 8.3758 122.2793 53.5548 44.4658 175.6414 54 K 4.7186 8.8971 125.7069 54.8479 35.0794 175.5696 55 V 4.8890 8.1731 120.7480 61.3445 34.9247 174.5307 56 I 5.4699 8.2391 125.0707 58.8462 42.1127 173.0863 57 D 5.0844 8.7331 127.5931 52.4988 44.1741 173.9204 58 V 4.7089 8.5455 125.8610 61.0835 33.5478 174.6792 59 K 4.7368 8.3872 126.3101 54.4993 35.8663 174.9795 60 F 4.9320 8.4179 119.9687 55.8879 41.6788 174.2108 61 Y 5.0343 8.2188 120.7745 56.1457 41.3903 175.4887 62 K 4.3243 8.7595 123.8311 55.8859 33.8188 175.5164 63 G 3.4742 8.7467 112.4786 47.2246 0.0000 175.8041 *68 G 3.8269 7.7109 104.7843 45.8103 0.0000 170.8013 69 E 5.4297 8.2308 118.1289 56.2806 32.0659 174.4094 70 K 4.9596 8.7083 125.8106 53.6736 36.6117 173.4885 71 P 3.7454 0.0000 0.0000 62.2816 32.8172 175.7893 72 V 4.1509 7.9000 121.5881 61.2995 33.1193 174.8083 73 I 4.1999 8.3433 129.5834 60.7281 35.6623 176.3996 74 T 4.1572 8.4494 123.5581 66.1784 69.4754 174.2093 75 I 4.5595 7.5224 121.0207 58.8536 40.0928 173.3991 76 P 4.8071 0.0000 0.0000 62.3338 32.5165 175.9007 77 I 4.1297 8.1133 121.2591 61.0748 38.0168 175.2408 78 H 4.4697 8.8644 126.5785 56.3762 30.9697 175.8701 79 G 3.7707 8.7262 114.3836 44.2526 0.0000 171.6619 80 D 5.0392 8.2562 117.3396 51.6583 42.4651 175.2247 81 L 4.7776 8.3017 119.3848 54.1835 42.8498 176.9660 82 K 4.9004 7.7270 117.1263 57.4376 32.4506 177.0712 83 D 4.3995 8.7763 120.6352 54.8922 40.2076 172.6251 84 K 4.8423 7.3713 114.4747 54.3412 35.2667 175.7016 85 R 4.6346 9.2719 123.3962 55.5694 31.3069 175.8827 86 V 4.7413 9.0581 125.1376 61.5002 34.3496 175.0462 87 V 4.7707 8.3036 124.6083 61.3684 34.6087 174.1598 88 I 4.6255 9.0854 130.3835 60.5829 38.7560 175.1074 89 V 4.9293 8.8290 127.4382 61.2478 33.9263 173.9196 90 D 5.0780 8.8388 126.2557 52.8283 45.2573 175.6955 91 D 4.5292 8.7698 121.8124 55.9441 40.5570 176.5593 92 V 5.4081 7.4391 116.5113 59.6046 34.8199 175.1331 93 S 4.0955 8.6519 119.1831 57.7725 61.2993 173.3054 94 D 4.6011 8.6848 125.6395 55.1571 41.9069 178.1460 95 T 4.0887 8.0540 107.9303 63.7930 70.4752 177.1195 96 G 4.1263 8.3836 108.6073 44.7259 0.0000 175.3024 97 K 3.9064 8.0749 120.6477 60.4667 32.3934 179.0754 98 T 4.0630 7.8390 116.8773 66.3639 68.3687 176.4312 99 L 4.0753 7.9195 120.1533 57.6863 41.7221 179.1914 100 E 3.9660 8.3488 118.7210 59.4254 29.3427 179.4028 101 V 3.5437 7.7178 117.8699 66.0910 31.6948 177.9251 102 V 3.6198 7.8987 117.8652 66.3808 31.1139 178.2875 103 I 3.7354 8.0992 119.4280 64.3515 36.9784 178.1562 104 E 3.9472 8.0581 119.2520 59.4892 29.1103 178.9612 105 E 3.9075 8.3043 118.3419 59.4818 29.4073 178.8075 106 V 3.7729 7.9329 118.1406 65.7393 31.5746 178.2321 107 K 4.0896 8.3953 118.8099 59.1509 31.5950 179.4153 108 K 4.0385 8.0222 118.3649 59.2913 32.2155 178.0296 109 L 4.1839 7.6953 115.6818 54.3198 41.9128 176.6101 110 G 4.2337 7.9707 108.0195 46.4121 0.0000 172.8997 111 A 5.3609 7.5004 120.4159 50.8201 20.2815 177.5465 112 K 4.1295 8.3887 124.8995 59.1027 32.4630 176.4889 113 E 4.8379 8.0752 119.5143 54.5897 33.3889 173.0657 114 I 4.9387 8.5069 126.3168 59.5000 39.9437 174.8860 115 K 4.7977 8.6641 125.8407 53.6596 35.8990 174.6481 116 I 5.0254 8.6128 126.7164 59.6268 40.0781 174.3503 117 A 5.2790 9.2735 127.8484 50.6762 22.3101 174.8028 118 C 5.9319 9.1445 119.0558 57.0910 32.8967 175.4963 119 L 4.3382 8.8848 119.3486 57.4024 42.6140 176.8658 120 A 5.9140 8.6835 118.8625 49.6643 23.0108 174.3587 121 M 4.9211 8.2155 116.5357 54.3268 35.9711 173.3845 122 K 4.6031 7.9995 122.3946 52.9532 34.7945 175.4359 123 P 3.9996 0.0000 0.0000 65.5502 31.2336 177.5826 124 W 4.4626 7.0803 111.2718 57.1742 28.6566 176.3086 125 T 4.3692 7.7442 114.2251 62.1551 67.0964 173.7506 126 S 4.4414 8.5916 120.6087 58.6497 63.6871 174.5735 127 V 4.1408 7.4417 120.4340 60.7539 31.9580 174.0955 128 V 3.7077 8.1320 126.4365 61.3248 31.8696 174.3798 129 P 4.5027 0.0000 0.0000 62.9721 31.5726 176.0861 130 D 4.4386 8.7812 120.1875 56.6859 42.2660 176.1927 131 Y 5.0683 7.8647 116.2143 56.5157 41.9719 173.9631 132 Y 6.0017 8.2190 120.9263 56.3302 41.1766 173.8757 133 V 4.0151 8.6768 116.1971 64.3973 33.4585 175.4998 134 F 4.8903 8.5028 119.6701 56.7405 40.7717 174.6784 135 R 5.1259 8.2709 121.1308 54.3533 32.8948 173.7290 136 T 4.2916 7.9191 118.6656 62.1818 70.5965 172.7759 137 E 4.0986 8.6564 120.9031 55.6650 31.3670 176.8430 138 K 4.2954 7.8803 118.5523 55.2082 33.0553 176.2282 139 W 4.2907 8.6569 130.5580 57.7681 31.5582 174.5300 140 I 4.3687 8.4825 128.5735 59.8568 37.8295 175.5687 141 V 4.1925 8.0805 128.4285 60.8710 32.5393 175.3591 142 F 3.6267 9.1828 127.4914 55.9581 39.3938 175.1414 143 P 3.7740 0.0000 0.0000 65.1933 30.8723 178.1589 144 W 4.5432 6.7409 113.5333 58.5539 28.6036 176.3096 145 E 4.5018 7.4684 118.1184 55.6267 29.8676 175.6974 146 E 4.4944 8.4250 119.3973 55.3965 30.7181 176.9462 147 F 4.5549 8.7774 120.7430 56.3947 38.6127 173.9925 148 P 4.3894 0.0000 0.0000 62.7544 31.7431 176.2130 149 V 4.4419 8.1338 119.9707 61.0266 34.2088 174.6689 150 I 4.4166 8.2064 125.7126 59.6117 38.6829 175.0378 151 E 4.7494 8.4769 123.8605 54.0371 32.5679 175.5183 152 K 4.2543 8.3509 120.1624 55.8081 32.7942 177.3439 153 E 4.1609 8.7585 122.4727 56.7016 29.3982 176.7266 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 M 8.16 4.49 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 2 D 8.73 4.49 0.00 2.68 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 3 K 7.45 4.68 0.00 0.87 0.91 0.00 0.75 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.82 0.91 7.81 4 V 8.30 3.98 1.76 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 0.58 0.00 0.00 0.79 0.00 0.00 5 Y 8.26 4.58 0.00 2.65 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 6 L 7.49 4.20 0.00 1.00 1.22 -0.05 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.78 4.34 4.43 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 1.31 0.00 0.00 8 W 8.80 4.29 0.00 3.58 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 W 8.56 4.29 0.00 3.55 3.38 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 10 Q 8.53 3.72 0.00 2.31 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.70 2.72 0.00 11 V 7.96 3.82 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.89 0.00 0.00 12 D 8.69 4.32 0.00 2.90 2.63 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 13 R 8.16 3.89 0.00 1.42 1.69 0.00 3.25 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 14 A 8.09 3.86 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 15 I 8.10 3.66 1.90 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 1.56 0.67 0.82 0.00 0.00 16 F 8.27 4.53 0.00 3.20 2.91 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 17 A 8.33 4.01 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.28 3.91 0.00 1.85 1.69 1.04 0.87 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 19 A 8.44 3.97 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 0.00 0.00 0.00 0.00 0.00 20 E 8.03 3.91 0.00 2.17 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 2.31 2.39 0.00 21 K 7.86 4.18 0.00 1.87 1.99 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.64 1.70 7.81 22 L 7.92 3.87 0.00 1.74 1.64 0.79 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.87 3.88 0.00 2.05 2.00 0.00 3.12 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 24 E 7.72 3.80 0.00 2.05 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 2.36 2.50 0.00 25 Y 8.25 4.38 0.00 2.96 3.14 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 0.00 0.00 0.00 26 K 7.26 3.71 0.00 1.63 1.70 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.58 7.81 27 P 0.00 4.31 0.00 2.07 2.11 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.41 0.00 28 D 9.01 4.63 0.00 2.69 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 29 V 7.59 4.56 2.10 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 1.03 0.00 0.00 0.93 0.00 0.00 30 I 8.38 4.83 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 1.25 0.69 0.91 0.00 0.00 31 I 8.95 4.78 1.89 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 1.17 0.85 0.92 0.00 0.00 32 G 8.55 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 0.00 0.00 0.00 33 V 8.58 4.33 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 1.00 0.00 0.00 0.94 0.00 0.00 34 A 8.54 4.82 1.21 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 35 R 8.59 4.36 0.00 1.89 1.92 0.00 3.18 0.00 0.00 3.38 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 36 G 7.56 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 37 G 8.27 3.73 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 0.00 0.00 0.00 38 L 7.45 3.81 0.00 1.53 1.59 0.86 0.75 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 39 I 7.04 3.51 0.91 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.58 0.96 0.00 0.00 40 P 0.00 4.21 0.00 2.09 2.14 0.00 3.28 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 41 A 8.11 3.99 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 42 V 7.80 3.47 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 0.93 0.00 0.00 43 R 7.63 3.87 0.00 1.78 1.86 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 44 L 8.02 3.97 0.00 1.68 1.71 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.18 4.06 0.00 4.00 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 46 H 8.18 4.22 0.00 3.30 3.30 0.00 5.86 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 7.96 3.76 1.91 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 1.68 0.93 1.02 0.00 0.00 48 L 7.66 4.29 0.00 1.71 1.68 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 49 G 7.69 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 50 D 7.73 4.45 0.00 2.80 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 51 I 7.28 4.26 2.06 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 1.42 0.53 1.02 0.00 0.00 52 P 0.00 4.37 0.00 2.14 2.25 0.00 3.73 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 2.20 1.99 0.00 53 L 8.38 5.06 0.00 1.60 1.55 0.95 0.55 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 54 K 8.90 4.72 0.00 1.75 1.69 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.37 7.81 55 V 8.17 4.89 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 56 I 8.24 5.47 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 1.09 1.82 0.91 0.00 0.00 57 D 8.73 5.08 0.00 2.74 2.45 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 58 V 8.55 4.71 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 0.68 0.00 0.00 0.91 0.00 0.00 59 K 8.39 4.74 0.00 1.59 0.98 0.00 1.52 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.30 7.81 60 F 8.42 4.93 0.00 2.71 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 61 Y 8.22 5.03 0.00 2.95 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 62 K 8.76 4.32 0.00 1.81 1.78 0.00 1.64 0.00 0.00 1.91 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.60 7.81 63 G 8.75 3.47 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 0.00 *68 G 7.71 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 0.00 0.00 0.00 69 E 8.23 5.43 0.00 2.00 1.86 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 2.42 2.36 0.00 70 K 8.71 4.96 0.00 1.72 1.62 0.00 1.72 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.42 7.81 71 P 0.00 3.75 0.00 1.69 1.33 0.00 3.66 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.88 0.00 72 V 7.90 4.15 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 1.04 0.00 0.00 1.07 0.00 0.00 73 I 8.34 4.20 1.84 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 1.28 0.61 0.92 0.00 0.00 74 T 8.45 4.16 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 75 I 7.52 4.56 1.95 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 1.28 0.63 0.91 0.00 0.00 76 P 0.00 4.81 0.00 2.08 2.06 0.00 3.76 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 2.00 2.00 0.00 77 I 8.11 4.13 1.88 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 1.24 0.55 0.92 0.00 0.00 78 H 8.86 4.47 0.00 3.06 3.22 0.00 5.93 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 8.73 3.77 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 0.00 0.00 0.00 80 D 8.26 5.04 0.00 2.73 2.59 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 81 L 8.30 4.78 0.00 1.71 1.67 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 82 K 7.73 4.90 0.00 1.98 1.73 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.49 7.81 83 D 8.78 4.40 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 84 K 7.37 4.84 0.00 1.91 1.66 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.61 7.81 85 R 9.27 4.63 0.00 1.45 1.36 0.00 2.44 0.00 0.00 2.90 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.43 0.00 86 V 9.06 4.74 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 0.97 0.00 0.00 0.97 0.00 0.00 87 V 8.30 4.77 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 0.99 0.00 0.00 1.18 0.00 0.00 88 I 9.09 4.63 1.90 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 1.14 0.56 0.97 0.00 0.00 89 V 8.83 4.93 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 0.96 0.00 0.00 0.93 0.00 0.00 90 D 8.84 5.08 0.00 2.73 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 D 8.77 4.53 0.00 1.58 2.89 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 92 V 7.44 5.41 2.46 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 0.86 0.00 0.00 1.06 0.00 0.00 93 S 8.65 4.10 0.00 3.90 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 94 D 8.68 4.60 0.00 2.80 2.48 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 95 T 8.05 4.09 4.18 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 1.13 0.00 0.00 96 G 8.38 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.07 3.91 0.00 1.81 1.96 0.00 0.69 0.00 0.00 0.61 0.00 0.00 2.72 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.19 1.17 7.81 98 T 7.84 4.06 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 1.29 0.00 0.00 99 L 7.92 4.08 0.00 1.70 1.73 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.35 3.97 0.00 2.26 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 101 V 7.72 3.54 2.30 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 1.02 0.00 0.00 1.09 0.00 0.00 102 V 7.90 3.62 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 0.99 0.00 0.00 0.99 0.00 0.00 103 I 8.10 3.74 2.05 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 1.54 0.90 0.93 0.00 0.00 104 E 8.06 3.95 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 2.34 2.51 0.00 105 E 8.30 3.91 0.00 2.07 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 2.32 2.37 0.00 106 V 7.93 3.77 2.27 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 1.00 0.00 0.00 0.99 0.00 0.00 107 K 8.40 4.09 0.00 2.01 1.85 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.63 7.81 108 K 8.02 4.04 0.00 1.92 1.87 0.00 2.02 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.72 7.81 109 L 7.70 4.18 0.00 1.86 1.67 0.97 0.84 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 0.00 110 G 7.97 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 0.00 0.00 0.00 0.00 111 A 7.50 5.36 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.39 4.13 0.00 1.77 1.97 0.00 1.89 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.41 7.81 113 E 8.08 4.84 0.00 2.12 1.85 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 0.00 2.51 2.44 0.00 114 I 8.51 4.94 1.90 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 1.28 0.81 0.94 0.00 0.00 115 K 8.66 4.80 0.00 1.57 1.37 0.00 1.44 0.00 0.00 1.20 0.00 0.00 2.71 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.74 1.34 7.81 116 I 8.61 5.03 1.90 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 1.30 0.52 0.95 0.00 0.00 117 A 9.27 5.28 1.23 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 0.00 0.00 118 C 9.14 5.93 0.00 2.99 3.10 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 0.00 119 L 8.88 4.34 0.00 2.23 2.20 1.41 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.68 5.91 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 M 8.22 4.92 0.00 0.99 1.28 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 122 K 8.00 4.60 0.00 1.19 0.74 0.00 2.12 0.00 0.00 1.45 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.21 1.08 7.81 123 P 0.00 4.00 0.00 1.79 2.01 0.00 2.54 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.85 0.00 124 W 7.08 4.46 0.00 3.28 3.38 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 0.00 125 T 7.74 4.37 4.53 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 1.22 0.00 0.00 126 S 8.59 4.44 0.00 4.03 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 0.00 127 V 7.44 4.14 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 0.79 0.00 0.00 1.00 0.00 0.00 128 V 8.13 3.71 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 0.89 0.00 0.00 0.90 0.00 0.00 129 P 0.00 4.50 0.00 2.30 2.07 0.00 3.52 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 130 D 8.78 4.44 0.00 2.75 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 0.00 0.00 0.00 131 Y 7.86 5.07 0.00 2.89 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 0.00 132 Y 8.22 6.00 0.00 2.89 2.89 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 0.00 133 V 8.68 4.02 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.76 0.00 0.00 134 F 8.50 4.89 0.00 3.11 2.90 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 0.00 135 R 8.27 5.13 0.00 1.96 1.84 0.00 3.15 0.00 0.00 2.54 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.35 0.00 136 T 7.92 4.29 4.19 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 1.11 0.00 0.00 137 E 8.66 4.10 0.00 1.90 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 1.51 2.03 0.00 138 K 7.88 4.30 0.00 1.70 1.75 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.37 7.81 139 W 8.66 4.29 0.00 3.45 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 0.00 140 I 8.48 4.37 1.70 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.78 -0.28 0.00 0.00 141 V 8.08 4.19 1.15 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 0.73 0.00 0.00 0.29 0.00 0.00 142 F 9.18 3.63 0.00 2.07 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 0.00 143 P 0.00 3.77 0.00 0.49 0.49 0.00 2.20 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.69 0.00 144 W 6.74 4.54 0.00 3.47 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 0.00 145 E 7.47 4.50 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.41 0.00 146 E 8.42 4.49 0.00 2.07 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 2.36 2.42 0.00 147 F 8.78 4.55 0.00 2.91 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 0.00 148 P 0.00 4.39 0.00 1.74 1.95 0.00 3.41 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 1.74 2.14 0.00 149 V 8.13 4.44 2.10 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 0.85 0.00 0.00 0.97 0.00 0.00 150 I 8.21 4.42 1.85 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 1.37 0.59 0.91 0.00 0.00 151 E 8.48 4.75 0.00 1.93 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 2.21 2.30 0.00 152 K 8.35 4.25 0.00 1.75 1.76 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.46 7.81 153 E 8.76 4.16 0.00 1.97 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 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.