NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 H 4.7701 8.4293 116.3148 55.0900 30.1313 172.1726 -4 H 4.6091 7.3979 113.8011 54.2053 31.7679 171.0725 -3 H 4.4684 8.7482 118.4089 56.2737 30.4360 178.2443 *-2 H 4.1207 9.1607 122.1568 57.5213 28.1098 174.8682 *-1 H 5.1394 8.3076 118.4582 52.4862 29.4332 173.6966 0 H 4.4877 7.9347 124.8795 53.9538 31.5283 172.7077 -3 F 4.3584 8.6282 120.5089 58.9737 41.0360 179.9443 *-2 Y 3.9407 8.8607 124.2568 60.4213 36.9097 176.6682 *-1 E 4.7594 8.3076 120.4582 54.0862 30.3332 176.1966 0 I 3.9277 7.5147 126.5795 60.0538 41.3283 175.0077 6 R 5.0042 8.9735 127.2755 54.6451 32.6128 175.4289 7 T 4.9171 8.9907 120.6205 61.9416 71.7740 172.4984 8 Y 5.4588 8.9189 124.4904 56.2162 41.3470 174.7213 9 R 4.8096 9.0917 125.1127 55.2695 31.3944 175.7398 10 L 4.8888 8.8807 127.1737 53.1498 43.6057 176.4922 11 K 4.1461 8.8167 121.7832 56.0705 33.1704 175.5802 12 N 4.6246 8.7819 125.1294 55.5731 39.0928 174.9091 13 G 3.9100 9.3680 113.8944 45.8209 0.0000 174.0159 14 A 4.4275 7.9918 120.7752 52.2440 18.9090 179.1945 15 I 3.6723 7.6390 119.4580 64.0120 37.2971 176.2907 16 P 4.1548 0.0000 0.0000 65.5681 31.2601 178.5480 17 A 4.0218 7.9729 119.0729 55.1180 18.3089 178.8547 18 Y 3.9560 8.3592 118.2478 61.0571 38.9763 178.4331 19 L 4.0087 8.5292 120.2835 57.4119 41.6301 179.5299 20 K 3.9039 8.1322 119.9962 59.5450 32.2140 179.3486 21 V 3.7109 7.7131 119.3599 64.4872 31.3897 178.4902 22 V 3.4933 7.8247 119.0399 65.7268 31.1366 177.5444 23 E 3.7971 7.8568 117.5824 59.5798 29.5839 178.3098 24 D 4.5386 8.0224 117.2844 56.6204 41.0052 177.1442 25 E 4.6296 8.2803 114.9958 54.7020 32.7624 176.8333 26 G 2.9422 7.5698 104.2733 45.8084 0.0000 175.3946 27 I 3.8118 7.9042 121.4088 63.8271 37.9698 177.9119 28 E 4.0416 8.0401 119.1534 59.1719 29.1641 179.1309 29 I 3.6805 7.6700 119.4721 64.3455 37.2306 177.9042 30 Q 3.4405 8.1121 120.3080 59.1474 28.8682 178.6074 31 K 4.2887 8.6020 120.0539 59.5653 31.8534 179.3979 32 S 4.1143 7.9120 113.6873 61.5063 62.7829 176.0004 33 H 4.3969 7.5115 118.5376 58.3154 28.9524 177.3242 34 L 4.2756 7.9522 119.4541 55.5366 41.5510 177.2198 35 G 4.3836 8.7553 110.7517 45.0898 0.0000 173.7790 36 E 4.5240 7.6712 123.8929 53.0376 30.6414 172.6299 37 L 3.2307 8.2194 125.8180 54.7334 42.3747 175.7008 38 V 4.0085 8.3310 126.9269 64.4641 32.5567 175.8916 39 G 3.9194 7.3002 104.7882 45.4810 0.0000 171.6176 40 Y 4.5871 6.8236 122.1276 56.2419 41.2496 173.8790 41 F 5.3995 9.3865 125.5169 55.7853 43.7215 173.8840 42 F 5.6438 8.3852 114.4796 54.8910 41.1785 174.5526 43 S 4.2607 8.7270 116.0015 59.6858 62.8905 173.5260 44 E 4.5015 8.8020 121.4863 57.2349 32.0344 175.6640 45 I 4.5848 8.1148 117.1674 59.3132 41.1836 173.2873 46 G 3.9153 8.9117 112.8226 43.3573 0.0000 171.9347 47 P 4.3134 0.0000 0.0000 62.8095 31.8982 176.0198 48 I 4.2460 8.1374 123.0528 61.4181 38.7061 174.9031 49 N 4.3096 8.7060 117.2052 54.3821 36.0363 172.9912 50 E 5.1890 8.3675 119.1181 54.6934 32.1524 174.4580 51 I 5.0791 8.7766 126.9788 59.5463 40.3982 174.6825 52 V 4.8552 8.8608 126.0264 61.3024 34.4194 173.8696 53 H 5.1083 8.9488 122.9364 53.6603 32.1288 172.3973 54 I 5.9454 8.3583 120.7153 59.6266 40.4640 174.5415 55 W 5.1958 9.0498 125.1400 54.7204 32.6611 174.3581 56 A 5.1530 8.2824 124.5270 50.2176 20.5526 176.1104 57 F 5.0166 8.3344 119.0877 55.5694 42.3667 175.6934 58 S 4.3498 9.1368 116.8228 61.0973 63.6126 174.5894 59 S 4.6103 7.5366 113.8955 56.3672 66.5087 175.3811 60 L 3.7276 7.6588 122.0385 57.4252 41.2915 179.4151 61 D 4.2506 7.8099 118.8483 57.2193 40.7103 178.0042 62 D 4.2269 8.0213 118.6788 57.0785 41.1418 178.0136 63 R 3.0711 7.7826 119.0566 59.2005 29.8239 178.3104 64 A 3.7964 7.6442 120.1870 55.1158 18.3837 179.4520 65 E 3.8385 8.2226 117.1979 59.6188 29.5438 179.8767 66 R 3.8952 8.0980 118.2268 59.4146 29.9298 179.4536 67 R 3.7470 7.9685 116.7985 58.8319 30.0227 178.5985 68 A 4.0811 7.8059 120.1592 55.2813 18.4421 179.6324 69 R 4.0223 7.5315 115.0424 58.9362 30.4653 179.2634 70 L 3.2471 7.5353 116.3340 55.8009 41.7634 178.0679 *72 A 4.2772 7.8625 118.8391 50.9906 20.5435 177.4834 73 D 4.5563 7.8802 116.9299 52.9697 42.0203 174.9273 74 P 4.3490 0.0000 0.0000 66.1205 30.9811 178.6556 75 R 3.9799 8.6936 118.3124 58.8284 29.9507 178.7661 76 W 4.4309 8.2778 127.7656 60.6014 30.6855 177.8769 77 L 3.9709 8.0432 117.7795 58.0814 41.1037 179.5173 78 S 4.2382 8.2154 114.4336 61.2345 62.9238 176.0972 79 F 4.2429 7.8039 123.7380 60.8921 39.1487 177.2041 80 L 3.2377 7.5216 118.6355 57.2335 41.1290 177.6763 81 P 4.1290 0.0000 0.0000 65.2189 31.2602 178.1154 82 K 4.0255 7.5728 116.2441 57.5759 32.3512 177.9500 83 I 4.3960 6.8451 111.1034 60.6406 38.7895 177.2407 84 R 3.7962 7.8090 120.7028 58.8893 29.9534 176.5941 85 D 4.7465 7.8072 114.4216 54.1386 41.8423 176.9861 86 L 4.2314 7.8601 120.3527 56.6525 42.1966 176.9613 87 I 4.2898 7.5781 119.5356 60.9538 37.9103 174.9795 88 E 4.3453 9.2716 125.9013 58.2231 30.6545 176.4899 89 V 4.6545 7.5831 117.7228 61.2284 35.3553 173.4858 90 A 5.5557 8.5171 126.5058 50.9176 22.3531 174.9342 91 E 4.9776 9.3748 117.0422 55.1665 33.4644 173.7086 92 N 6.2600 8.6865 117.2175 51.4602 40.7665 173.3352 93 K 4.7878 8.5653 117.5139 55.7208 35.9274 175.1172 94 I 5.0977 8.2748 121.4803 59.7520 40.0568 175.0579 *96 K 4.0848 8.3536 122.0271 55.5694 32.9845 174.1124 97 P 4.2466 0.0000 0.0000 61.7448 32.4829 176.2377 98 A 3.9262 7.9551 123.9826 51.8405 18.8452 178.6420 99 R 3.7265 8.1398 118.7040 58.5462 30.2015 178.0223 100 F 4.7911 6.9056 110.1743 56.1966 38.2787 175.4598 101 S 4.1771 7.4047 117.0812 57.8093 62.4832 172.7043 102 P 4.3802 0.0000 0.0000 64.8455 31.5553 176.3580 103 L 4.2856 7.6958 121.9038 54.7972 41.6999 176.2606 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 -5 H 8.43 4.77 0.00 3.27 3.44 0.00 5.47 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 H 7.40 4.61 0.00 3.16 3.11 0.00 5.72 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 H 8.75 4.47 0.00 3.25 3.25 0.00 5.64 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *-2 H 9.16 4.12 0.00 2.83 3.09 0.00 7.24 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *-1 H 8.31 5.14 0.00 2.82 2.99 0.00 7.25 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 7.93 4.49 0.00 3.29 3.38 0.00 5.65 0.00 0.00 0.00 0.00 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 F 8.63 4.36 0.00 3.10 3.13 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 *-2 Y 8.86 3.94 0.00 2.57 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 *-1 E 8.31 4.76 0.00 1.59 1.79 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 2.25 1.81 0.00 0 I 7.51 3.93 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 1.41 0.13 0.91 0.00 0.00 6 R 8.97 5.00 0.00 1.17 1.60 0.00 3.25 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 7 T 8.99 4.92 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 8 Y 8.92 5.46 0.00 2.79 2.65 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 0.00 0.00 0.00 0.00 9 R 9.09 4.81 0.00 1.91 1.83 0.00 3.10 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 10 L 8.88 4.89 0.00 1.50 1.66 0.69 0.66 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 11 K 8.82 4.15 0.00 1.83 1.73 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.32 7.81 12 N 8.78 4.62 0.00 2.71 2.74 0.00 0.00 7.26 7.98 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 13 G 9.37 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 14 A 7.99 4.43 1.44 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 0.00 0.00 15 I 7.64 3.67 1.87 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.00 0.71 0.00 0.00 16 P 0.00 4.15 0.00 2.14 2.06 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 17 A 7.97 4.02 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 18 Y 8.36 3.96 0.00 3.11 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 19 L 8.53 4.01 0.00 1.65 1.65 0.43 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.13 3.90 0.00 1.94 1.95 0.00 1.59 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.48 7.81 21 V 7.71 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 0.78 0.00 0.00 0.98 0.00 0.00 22 V 7.82 3.49 1.83 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 0.86 0.00 0.00 0.50 0.00 0.00 23 E 7.86 3.80 0.00 2.00 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 0.00 2.27 2.28 0.00 24 D 8.02 4.54 0.00 2.76 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 25 E 8.28 4.63 0.00 2.20 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 2.26 2.27 0.00 26 G 7.57 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 0.00 0.00 0.00 27 I 7.90 3.81 1.75 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.39 0.83 0.00 0.00 28 E 8.04 4.04 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 29 I 7.67 3.68 2.19 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 1.59 0.72 1.09 0.00 0.00 30 Q 8.11 3.44 0.00 2.19 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 1.67 1.41 0.00 31 K 8.60 4.29 0.00 2.06 1.93 0.00 1.73 0.00 0.00 1.92 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.64 1.83 7.81 32 S 7.91 4.11 0.00 3.95 4.06 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 33 H 7.51 4.40 0.00 2.91 3.39 0.00 5.65 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.95 4.28 0.00 1.15 1.50 -0.43 0.70 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 35 G 8.76 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 0.00 0.00 0.00 0.00 36 E 7.67 4.52 0.00 1.94 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 2.16 2.21 0.00 37 L 8.22 3.23 0.00 0.85 1.23 -0.09 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.33 4.01 2.20 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 0.88 0.00 0.00 1.04 0.00 0.00 39 G 7.30 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 0.00 0.00 0.00 40 Y 6.82 4.59 0.00 2.69 2.55 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 41 F 9.39 5.40 0.00 2.93 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 42 F 8.39 5.64 0.00 3.06 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.73 4.26 0.00 3.94 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 44 E 8.80 4.50 0.00 1.75 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.35 0.00 45 I 8.11 4.58 1.85 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 1.34 0.77 0.90 0.00 0.00 46 G 8.91 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 0.00 0.00 0.00 47 P 0.00 4.31 0.00 2.16 2.02 0.00 3.67 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 2.03 2.12 0.00 48 I 8.14 4.25 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 1.45 0.70 0.95 0.00 0.00 49 N 8.71 4.31 0.00 2.95 3.03 0.00 0.00 6.39 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 50 E 8.37 5.19 0.00 2.06 1.83 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 2.26 2.46 0.00 51 I 8.78 5.08 1.85 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.39 1.04 0.00 0.00 52 V 8.86 4.86 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 1.15 0.00 0.00 0.94 0.00 0.00 53 H 8.95 5.11 0.00 2.60 1.69 0.00 5.27 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 54 I 8.36 5.95 1.87 0.00 0.00 1.00 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 0.72 1.09 0.00 0.00 55 W 9.05 5.20 0.00 3.08 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.28 5.15 0.70 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 0.00 0.00 57 F 8.33 5.02 0.00 2.93 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 58 S 9.14 4.35 0.00 4.03 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 59 S 7.54 4.61 0.00 3.98 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 60 L 7.66 3.73 0.00 1.35 1.45 0.64 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.81 4.25 0.00 2.69 2.65 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 0.00 0.00 0.00 0.00 62 D 8.02 4.23 0.00 2.80 2.81 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 63 R 7.78 3.07 0.00 0.76 1.58 0.00 2.60 0.00 0.00 2.80 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.00 64 A 7.64 3.80 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 65 E 8.22 3.84 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 66 R 8.10 3.90 0.00 1.93 2.09 0.00 3.34 0.00 0.00 3.58 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 67 R 7.97 3.75 0.00 1.64 1.85 0.00 2.97 0.00 0.00 3.01 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.50 0.00 68 A 7.81 4.08 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 69 R 7.53 4.02 0.00 1.90 2.00 0.00 3.20 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 70 L 7.54 3.25 0.00 1.35 1.50 -0.22 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 *72 A 7.86 4.28 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 73 D 7.88 4.56 0.00 2.91 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 74 P 0.00 4.35 0.00 2.34 2.34 0.00 3.80 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 2.11 2.10 0.00 75 R 8.69 3.98 0.00 2.07 2.13 0.00 3.17 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 76 W 8.28 4.43 0.00 3.38 3.35 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 77 L 8.04 3.97 0.00 1.84 1.74 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.22 4.24 0.00 4.04 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 79 F 7.80 4.24 0.00 2.99 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 80 L 7.52 3.24 0.00 1.44 1.44 0.87 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.13 0.00 1.86 2.01 0.00 3.54 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 1.91 2.07 0.00 82 K 7.57 4.03 0.00 1.19 1.62 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.23 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.19 7.81 83 I 6.85 4.40 2.01 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.72 0.61 0.00 0.00 84 R 7.81 3.80 0.00 1.81 1.89 0.00 3.18 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 85 D 7.81 4.75 0.00 2.66 2.65 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 0.00 0.00 0.00 0.00 86 L 7.86 4.23 0.00 2.01 1.82 1.02 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 87 I 7.58 4.29 1.73 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.62 0.59 0.00 0.00 88 E 9.27 4.35 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 89 V 7.58 4.65 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 1.11 0.00 0.00 0.94 0.00 0.00 90 A 8.52 5.56 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 9.37 4.98 0.00 2.06 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 0.00 2.26 2.31 0.00 92 N 8.69 6.26 0.00 2.75 2.86 0.00 0.00 5.83 7.13 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 93 K 8.57 4.79 0.00 1.77 1.80 0.00 1.57 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.52 7.81 94 I 8.27 5.10 1.97 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.93 1.17 0.00 0.00 *96 K 8.35 4.08 0.00 1.65 1.49 0.00 1.55 0.00 0.00 1.13 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.96 1.39 7.81 97 P 0.00 4.25 0.00 2.07 2.01 0.00 3.57 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 1.93 2.11 0.00 98 A 7.96 3.93 0.31 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 99 R 8.14 3.73 0.00 1.82 1.92 0.00 3.11 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.45 0.00 100 F 6.91 4.79 0.00 3.10 3.13 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 0.00 101 S 7.40 4.18 0.00 3.59 3.76 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 0.00 102 P 0.00 4.38 0.00 2.07 2.10 0.00 3.68 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 2.03 2.13 0.00 103 L 7.70 4.29 0.00 1.36 1.38 0.86 0.90 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 * Residues marked with a * may have inaccurate shift predictions.