NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 A 4.3187 8.2493 123.5849 52.6540 19.7121 174.3558 32 D 4.8961 7.5749 122.1821 50.5509 42.9247 168.8868 33 V 4.8392 8.0512 118.7187 61.4086 34.2967 176.3578 34 S 4.7342 9.0866 121.3842 56.9475 67.0383 172.4205 35 Q 4.8686 7.7499 119.9956 55.0637 31.9308 173.0782 36 Y 4.8603 9.0575 122.7544 56.4668 42.5287 174.0869 37 H 4.8213 8.9768 119.7634 55.4254 29.3796 174.9797 38 V 4.6822 8.4041 115.1480 59.7520 36.9974 173.8331 39 N 5.4462 8.7480 118.8788 51.8277 40.6892 174.1313 40 H 4.6284 9.9014 125.8204 56.5443 30.5641 175.3299 41 L 4.3240 8.6047 126.2441 56.5728 42.7999 177.2887 42 V 4.5003 6.8144 108.8392 60.7029 36.2322 172.5379 43 T 5.0210 8.5696 119.3234 61.8228 71.5010 173.3292 44 F 5.0832 8.2627 120.4421 55.3184 41.8554 173.7608 45 C 4.8687 8.8682 117.3506 59.6375 29.4252 174.0573 46 L 4.5907 8.5641 123.1019 53.6756 40.8973 177.3979 47 G 3.9291 8.3407 114.4674 45.1086 0.0000 170.7856 48 E 4.5109 8.6657 116.8685 56.7607 30.8534 176.3022 49 E 4.7820 7.7980 117.2329 54.4160 30.0598 174.0851 50 D 4.5233 8.2717 117.5931 53.2895 42.1789 177.8486 51 G 3.7394 8.4809 105.2407 44.7786 0.0000 173.4451 52 V 3.9969 7.7470 119.9906 61.8908 30.6039 174.5502 53 H 4.8760 9.3288 125.0554 55.6942 31.1522 174.8234 54 T 4.6947 7.6410 108.5052 59.2122 72.6726 175.0840 55 V 3.6442 8.1272 119.0988 66.2439 31.4418 177.5048 56 E 4.0054 8.2060 117.8691 59.5437 29.2563 178.9164 57 D 4.3258 8.5374 118.9973 57.2098 40.9188 178.6139 58 A 4.3477 8.2754 121.2379 55.5697 18.5002 179.8449 59 S 3.8569 8.6191 113.9364 61.5909 62.7978 176.9343 60 R 3.8138 8.2839 121.6232 59.3811 29.6460 178.4393 61 K 3.7420 7.9833 118.2412 59.2613 32.1177 178.1462 62 L 4.0217 7.6429 119.5142 57.9673 42.2859 178.4081 63 A 4.0856 7.8576 120.6696 55.0543 18.2548 180.8208 64 V 3.6678 7.7770 114.6436 63.4638 31.4354 177.2924 *66 D 4.2708 8.0890 118.0939 53.6355 42.5588 177.5265 67 S 4.1537 7.9479 111.6352 60.5962 63.0292 174.6936 68 Q 4.2601 7.9435 119.5297 55.0336 28.5081 176.0694 69 G 3.8257 7.6745 105.5632 46.8497 0.0000 174.8561 70 R 4.1090 6.9523 112.9273 55.0582 30.4332 176.2999 71 V 3.9982 6.5244 117.9293 60.5761 33.0389 174.8171 72 W 5.2446 8.4493 126.6252 54.4638 31.3283 174.9991 73 A 4.2976 9.1156 125.8414 52.8122 18.4769 176.0081 74 Q 4.6616 9.1226 124.5477 54.1088 31.4290 174.9904 75 E 4.9654 8.7604 127.0829 55.7219 31.1685 175.5969 *77 L 4.1910 8.2287 121.5562 54.4468 43.6888 175.5183 78 L 4.9522 9.3490 126.3529 53.3120 44.5030 174.7234 79 R 5.0810 9.1124 127.6120 54.4862 32.8201 174.5263 80 V 4.7743 8.8260 126.2968 61.1644 33.6834 174.6956 81 S 5.3627 8.8042 120.8681 54.3793 66.1036 173.1051 82 P 4.4890 0.0000 0.0000 64.6476 31.2662 177.6005 83 S 4.7173 7.6022 111.8687 58.1356 64.7243 173.1518 84 Q 4.8892 7.9629 118.2772 55.3837 32.5042 173.0799 85 V 4.7825 8.6516 119.7145 61.4690 34.0385 174.3843 86 T 5.0269 9.1744 124.1381 61.7021 72.2226 172.7464 87 L 5.2418 8.9028 125.2747 53.1464 44.1010 175.6749 88 L 5.2393 8.6580 122.6062 52.8137 46.3969 175.3848 89 D 4.5724 8.3456 120.8523 53.1754 41.7576 175.6553 90 P 4.2049 0.0000 0.0000 65.6330 31.0142 177.3990 91 V 3.7961 7.2132 117.6355 64.6399 32.2722 176.7607 92 S 4.1645 8.8893 117.2997 60.9612 63.0384 176.3027 93 K 4.1853 8.2216 117.3677 55.8955 29.7635 175.3610 94 E 4.7244 7.8564 118.4848 54.1725 31.8212 175.4032 95 E 4.0671 8.8464 122.6903 57.6449 29.4868 176.8978 96 L 4.6573 8.9403 122.4747 55.5368 44.5690 176.3586 97 E 4.6038 7.6322 116.6446 55.2124 33.0130 174.0754 98 S 4.7212 8.0119 118.8746 56.7809 65.8990 172.5149 99 Y 4.8442 8.8951 125.1553 55.2367 40.2639 173.7826 100 P 4.7280 0.0000 0.0000 62.5336 32.2378 177.6156 101 L 3.7795 8.0316 120.0758 57.5206 41.5209 179.0277 102 D 4.4722 7.6775 116.0227 54.7889 39.8431 176.5454 103 A 4.3646 8.0871 122.8290 52.3276 19.2645 176.3501 104 I 4.3394 7.1780 117.8764 60.0033 38.3609 175.8234 105 V 4.0097 8.8682 126.6731 65.1507 32.0784 175.8055 106 R 4.5876 7.4889 114.0787 55.8153 32.6462 173.1244 107 C 5.0739 8.3028 119.3145 58.4074 34.4865 172.5154 108 D 4.9170 9.2752 124.5402 52.8001 45.7975 173.8611 109 A 4.9689 8.5289 122.0952 50.8431 20.4663 176.1700 110 V 4.5244 8.6878 125.6659 61.0843 35.5223 172.3366 *112 P 4.3922 0.0000 0.0000 62.3135 32.3046 176.0346 113 R 4.1350 8.3952 119.7885 57.8573 30.5673 175.5180 114 G 4.1254 8.9799 111.3632 45.8816 0.0000 174.0889 115 R 4.5477 7.5612 117.6116 54.5451 32.0081 175.9050 116 S 4.6276 8.3758 110.5168 57.7250 64.6672 174.1673 117 R 4.5820 7.7592 119.8676 54.0562 31.5525 176.0970 118 S 4.5284 8.6117 118.5953 59.0555 63.8006 173.5536 119 L 4.9466 9.2678 122.8606 52.9828 44.8307 175.2635 120 L 4.8167 9.0687 125.1188 54.2784 43.5746 174.8744 121 L 4.8263 9.2739 129.0882 53.1821 44.4398 174.6510 122 L 5.0350 8.5137 127.4837 53.1903 45.5897 174.8938 123 V 4.6856 8.6268 126.0012 61.3503 34.2074 174.1025 124 C 5.0799 8.7151 123.8082 58.2876 33.2177 173.1211 125 Q 4.6568 8.9332 121.4357 54.0944 30.0448 174.2901 126 E 4.2374 8.6913 125.2401 55.4740 30.5394 176.5495 127 P 4.2607 0.0000 0.0000 65.7611 31.4704 178.0531 128 E 4.0767 8.1983 113.7594 58.4672 29.6140 177.0859 129 R 4.4364 7.3224 117.9705 54.7734 31.3878 176.5704 130 A 4.1771 8.5478 124.1080 54.3587 18.8142 177.7543 131 Q 4.6815 7.6589 112.4352 53.2521 32.6830 173.0344 132 P 4.7420 0.0000 0.0000 62.6873 33.5675 174.3694 133 D 5.2274 9.1855 119.3100 52.4390 45.0366 175.1160 134 V 4.3452 8.2106 121.0264 61.3208 34.0125 174.1958 135 H 5.0624 8.6644 124.1703 53.8386 32.4986 172.2872 136 F 5.4335 8.6008 121.4941 55.7514 41.5911 174.7031 137 F 5.4143 9.2939 121.1700 55.8012 43.4247 173.9724 138 Q 4.7440 9.4546 121.0868 55.1392 30.1052 177.3329 139 G 3.7437 8.9855 111.3905 45.7044 0.0000 174.6589 140 L 3.5326 7.8647 119.3098 55.3484 40.0930 174.9768 141 L 4.1374 8.8292 122.6240 59.3844 42.2242 179.0223 142 L 4.0510 7.8961 116.6598 55.7421 41.9563 178.6861 143 G 4.0478 8.1496 102.9380 45.7260 0.0000 174.1643 144 A 3.9136 8.5195 122.1889 55.0625 18.3145 180.1002 145 E 3.9159 8.1263 116.5622 59.4421 29.5006 179.2672 146 L 3.9168 7.7435 119.7631 58.2041 42.2933 178.9364 147 I 3.1209 7.1953 119.7963 63.9751 36.8423 178.2652 148 R 3.7793 8.2636 119.9702 59.3900 29.8307 178.0477 149 E 3.8802 8.3637 119.2496 59.2956 29.5741 178.0850 150 D 4.3580 8.1913 118.0175 57.5982 41.2437 178.4190 151 I 3.6680 8.1352 120.4623 64.4315 37.0784 178.1386 152 Q 4.0605 8.8722 121.0916 59.1873 28.8203 178.7171 153 G 3.5845 8.5622 106.8899 47.7470 0.0000 175.5284 154 A 4.0742 8.2696 123.4467 54.8268 18.1500 179.6925 155 L 3.9437 8.0870 116.9742 57.9944 41.9149 179.5979 156 Q 4.1404 8.2829 117.9214 59.1722 28.5536 178.2198 157 N 4.2633 7.9900 116.5628 57.0347 38.9495 175.8912 158 Y 4.1780 8.0333 120.1168 59.7884 38.9477 176.1079 159 R 4.3494 8.1052 123.1704 56.1951 30.5711 175.9245 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 31 A 8.25 4.32 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 32 D 7.57 4.90 0.00 2.86 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.05 4.84 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 0.82 0.00 0.00 0.92 0.00 0.00 34 S 9.09 4.73 0.00 3.55 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 35 Q 7.75 4.87 0.00 1.91 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.78 0.00 0.00 0.00 0.00 0.00 2.14 2.32 0.00 36 Y 9.06 4.86 0.00 2.87 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 37 H 8.98 4.82 0.00 3.10 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.40 4.68 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 0.86 0.00 0.00 0.92 0.00 0.00 39 N 8.75 5.45 0.00 2.75 2.83 0.00 0.00 7.09 8.18 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 40 H 9.90 4.63 0.00 3.45 3.42 0.00 5.57 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.60 4.32 0.00 1.56 1.63 0.87 0.92 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 42 V 6.81 4.50 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 1.17 0.00 0.00 43 T 8.57 5.02 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 44 F 8.26 5.08 0.00 3.03 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 8.87 4.87 0.00 2.94 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.56 4.59 0.00 1.53 1.68 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.34 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 48 E 8.67 4.51 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 2.24 2.32 0.00 49 E 7.80 4.78 0.00 1.89 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 2.27 0.00 50 D 8.27 4.52 0.00 2.64 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 51 G 8.48 3.74 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 0.00 0.00 0.00 52 V 7.75 4.00 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 1.01 0.00 0.00 0.80 0.00 0.00 53 H 9.33 4.88 0.00 3.26 3.28 0.00 5.67 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 7.64 4.69 4.40 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 1.24 0.00 0.00 55 V 8.13 3.64 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 1.23 0.00 0.00 0.94 0.00 0.00 56 E 8.21 4.01 0.00 2.12 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 2.42 2.49 0.00 57 D 8.54 4.33 0.00 2.89 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 58 A 8.28 4.35 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 0.00 0.00 0.00 0.00 0.00 59 S 8.62 3.86 0.00 4.00 3.85 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 0.00 0.00 0.00 60 R 8.28 3.81 0.00 2.00 2.13 0.00 3.07 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 61 K 7.98 3.74 0.00 1.51 1.72 0.00 1.21 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 0.89 1.08 7.81 62 L 7.64 4.02 0.00 1.49 1.58 0.80 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.86 4.09 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 7.78 3.67 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 0.90 0.00 0.00 0.86 0.00 0.00 *66 D 8.09 4.27 0.00 2.81 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 67 S 7.95 4.15 0.00 3.98 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 7.94 4.26 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.28 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 69 G 7.67 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 70 R 6.95 4.11 0.00 1.69 1.81 0.00 3.04 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 71 V 6.52 4.00 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 0.82 0.00 0.00 0.78 0.00 0.00 72 W 8.45 5.24 0.00 3.29 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 73 A 9.12 4.30 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 9.12 4.66 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 75 E 8.76 4.97 0.00 2.09 1.91 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 2.40 2.29 0.00 *77 L 8.23 4.19 0.00 1.87 1.57 0.65 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 78 L 9.35 4.95 0.00 1.44 1.47 0.23 0.55 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 79 R 9.11 5.08 0.00 1.83 1.71 0.00 3.06 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 80 V 8.83 4.77 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 1.12 0.00 0.00 1.05 0.00 0.00 81 S 8.80 5.36 0.00 3.98 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.49 0.00 2.11 2.22 0.00 3.64 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 83 S 7.60 4.72 0.00 4.24 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 0.00 84 Q 7.96 4.89 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 85 V 8.65 4.78 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 1.01 0.00 0.00 0.92 0.00 0.00 86 T 9.17 5.03 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 1.23 0.00 0.00 87 L 8.90 5.24 0.00 1.53 1.61 1.20 0.51 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 88 L 8.66 5.24 0.00 1.42 1.50 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.35 4.57 0.00 2.69 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 90 P 0.00 4.20 0.00 2.13 2.18 0.00 3.76 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 91 V 7.21 3.80 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 0.82 0.00 0.00 0.97 0.00 0.00 92 S 8.89 4.16 0.00 3.99 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 93 K 8.22 4.19 0.00 1.90 2.12 0.00 1.79 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.41 7.81 94 E 7.86 4.72 0.00 1.93 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 2.23 2.27 0.00 95 E 8.85 4.07 0.00 1.81 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 96 L 8.94 4.66 0.00 1.43 1.67 0.96 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 97 E 7.63 4.60 0.00 1.96 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.47 0.00 98 S 8.01 4.72 0.00 3.95 3.50 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 99 Y 8.90 4.84 0.00 2.95 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 0.00 100 P 0.00 4.73 0.00 2.44 2.19 0.00 3.77 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.02 0.00 101 L 8.03 3.78 0.00 0.39 1.27 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 102 D 7.68 4.47 0.00 2.87 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 0.00 103 A 8.09 4.36 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 0.00 104 I 7.18 4.34 1.90 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 0.96 0.54 0.81 0.00 0.00 105 V 8.87 4.01 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 0.72 0.00 0.00 0.88 0.00 0.00 106 R 7.49 4.59 0.00 1.83 1.92 0.00 2.96 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 107 C 8.30 5.07 0.00 2.89 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 0.00 108 D 9.28 4.92 0.00 2.65 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.53 4.97 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 0.00 110 V 8.69 4.52 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 1.10 0.00 0.00 1.01 0.00 0.00 *112 P 0.00 4.39 0.00 2.20 2.11 0.00 3.74 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.84 0.00 113 R 8.40 4.14 0.00 1.80 1.91 0.00 3.17 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 114 G 8.98 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 0.00 115 R 7.56 4.55 0.00 1.79 1.86 0.00 3.00 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.49 0.00 116 S 8.38 4.63 0.00 3.92 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 7.76 4.58 0.00 1.82 1.90 0.00 3.23 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 118 S 8.61 4.53 0.00 3.77 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 0.00 119 L 9.27 4.95 0.00 1.77 1.76 0.62 0.10 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 0.00 120 L 9.07 4.82 0.00 1.77 1.74 0.91 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 121 L 9.27 4.83 0.00 1.57 1.56 0.23 0.26 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 0.00 122 L 8.51 5.03 0.00 1.88 1.45 0.91 0.40 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 0.00 123 V 8.63 4.69 1.96 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 0.85 0.00 0.00 0.75 0.00 0.00 124 C 8.72 5.08 0.00 2.60 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 0.00 0.00 0.00 0.00 125 Q 8.93 4.66 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 126 E 8.69 4.24 0.00 2.13 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 127 P 0.00 4.26 0.00 2.05 2.14 0.00 3.72 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 2.05 2.11 0.00 128 E 8.20 4.08 0.00 2.08 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 2.29 2.36 0.00 129 R 7.32 4.44 0.00 1.95 1.91 0.00 3.29 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 130 A 8.55 4.18 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 7.66 4.68 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.00 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 132 P 0.00 4.74 0.00 2.06 2.15 0.00 3.63 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 2.04 1.97 0.00 133 D 9.19 5.23 0.00 2.33 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 0.00 0.00 0.00 0.00 134 V 8.21 4.35 0.67 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 0.09 0.00 0.00 0.60 0.00 0.00 135 H 8.66 5.06 0.00 2.90 2.55 0.00 5.62 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 0.00 136 F 8.60 5.43 0.00 2.80 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 0.00 137 F 9.29 5.41 0.00 3.01 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 0.00 138 Q 9.45 4.74 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 139 G 8.99 3.74 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 0.00 0.00 0.00 140 L 7.86 3.53 0.00 1.84 1.62 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.83 4.14 0.00 1.61 1.73 0.94 0.93 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 0.00 142 L 7.90 4.05 0.00 1.81 1.84 1.13 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.15 4.05 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 0.00 0.00 0.00 144 A 8.52 3.91 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 E 8.13 3.92 0.00 1.98 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 2.40 2.31 0.00 146 L 7.74 3.92 0.00 1.68 1.55 1.09 1.11 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 0.00 147 I 7.20 3.12 1.66 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.28 0.53 0.00 0.00 148 R 8.26 3.78 0.00 1.81 2.07 0.00 3.08 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 149 E 8.36 3.88 0.00 2.09 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 2.32 2.33 0.00 150 D 8.19 4.36 0.00 2.97 2.85 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 0.00 0.00 0.00 151 I 8.14 3.67 1.93 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 1.38 0.59 0.86 0.00 0.00 152 Q 8.87 4.06 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.58 0.00 153 G 8.56 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 0.00 154 A 8.27 4.07 1.39 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 0.00 0.00 0.00 155 L 8.09 3.94 0.00 1.80 1.76 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 156 Q 8.28 4.14 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 157 N 7.99 4.26 0.00 2.77 2.92 0.00 0.00 7.29 7.47 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 0.00 158 Y 8.03 4.18 0.00 3.14 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 R 8.11 4.35 0.00 2.02 1.85 0.00 3.40 0.00 0.00 3.30 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.89 0.00 * Residues marked with a * may have inaccurate shift predictions.