NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *5 D 4.7083 8.3493 119.5563 53.0821 41.3778 174.6932 6 K 4.6168 8.6333 121.9981 53.3866 34.8883 174.4506 7 I 4.6125 8.8938 116.4510 59.2313 41.0430 176.0897 8 T 4.7332 8.8028 121.4289 62.9735 70.2424 173.9241 9 V 4.4386 8.5951 125.2181 61.3242 35.1110 173.6534 10 H 5.1482 8.7547 124.9894 54.4179 30.7852 173.7971 11 F 5.0322 9.4026 123.5055 55.7543 41.0067 175.3428 12 I 4.5122 9.0377 126.7740 60.4230 37.8836 176.0248 13 N 4.8967 9.2359 127.0990 52.5790 39.7020 176.0113 14 R 3.9710 8.4727 119.2059 58.5679 30.1012 177.5031 15 D 4.5672 8.1171 115.4523 52.9138 39.7945 177.3053 16 G 3.9394 8.2870 108.4459 45.5956 0.0000 173.4997 17 E 4.4773 8.4878 119.8403 55.7509 31.4368 175.4223 18 T 4.8940 8.3848 119.5114 62.4620 70.2163 174.0148 19 L 4.7076 9.2750 127.0919 53.3942 43.9049 175.4610 20 T 5.1078 8.5277 120.6936 62.2906 71.0378 173.6224 21 T 4.6561 8.5197 119.1703 61.2860 71.4144 171.8512 22 K 5.2155 8.6317 119.9950 54.8335 36.1368 175.7732 23 G 4.4123 9.0641 108.9560 44.8868 0.0000 171.0601 24 K 4.9536 8.8167 118.6447 54.5257 35.2090 176.3219 25 I 3.9519 8.3868 122.3921 63.5449 37.3974 175.8878 26 G 4.1107 8.8767 113.3378 45.6828 0.0000 173.9478 27 D 4.6060 8.0820 120.0570 53.7460 41.7751 176.3329 28 S 4.9214 8.8283 117.7521 58.0204 65.4296 175.6283 29 L 4.2547 8.5408 122.3367 57.5179 41.1956 179.7289 30 L 4.2764 8.1086 120.2906 58.2831 42.1013 178.2187 31 D 4.4161 8.1736 118.8664 57.6620 40.5260 179.1236 32 V 3.5960 7.7964 118.3139 66.0651 31.4746 178.1497 33 V 2.9746 7.7342 117.6736 66.1602 31.4194 178.5418 34 V 3.6833 8.1647 112.4660 64.2913 31.2356 178.5697 35 Q 4.1049 8.2562 116.6567 57.9443 28.7312 176.5473 36 N 4.7356 7.5090 113.3508 51.9922 39.0767 174.2432 37 N 4.1454 7.7922 114.6497 53.9260 36.8535 174.8271 38 L 3.9587 7.4560 116.2910 55.0548 42.9018 178.1656 39 D 4.4686 8.2340 123.0796 53.1852 40.0750 177.2554 40 I 4.1465 6.9586 121.6335 58.9918 37.9424 174.8132 41 D 4.3731 8.6912 124.7545 55.7848 40.9971 176.9497 42 G 3.8983 8.9780 113.5308 45.7210 0.0000 172.6974 43 F 4.3207 7.4565 122.0754 58.8220 39.6903 175.2859 44 G 3.8772 8.6789 115.5857 45.5664 0.0000 174.5367 45 A 3.9552 7.7510 124.7196 55.1629 18.4838 179.3743 46 C 4.3486 8.0449 107.8476 58.0674 30.0589 173.3614 47 E 4.0539 8.9733 119.1993 58.0253 26.7653 174.9127 48 G 3.8692 8.4582 103.2758 46.8753 0.0000 174.7446 49 T 4.3144 7.4620 106.5761 60.2629 68.9563 174.1110 50 L 3.5444 7.9215 121.1551 57.1069 40.1309 174.3085 51 A 4.7332 8.0932 115.8129 51.3531 19.9893 175.7613 52 C 4.7230 7.5871 111.5378 58.4552 32.2461 173.8347 53 S 4.7046 8.3221 113.0200 58.5792 63.1906 175.6909 54 T 4.0026 8.0298 112.5305 64.5033 69.0209 174.9202 55 C 2.4500 7.5035 116.7201 57.3338 29.9458 172.2623 56 H 4.6853 7.7724 120.7131 57.6408 29.8368 174.4473 57 L 5.1806 9.4435 124.3369 53.1268 46.4229 175.2560 58 I 5.0352 8.7470 122.9938 59.9015 39.1859 175.1287 59 F 4.9572 9.1355 126.1069 55.6748 41.1885 175.9399 60 E 4.2304 8.6595 120.1247 56.0403 30.5033 177.7973 61 Q 4.0696 9.0280 123.3089 59.9921 28.7978 178.9657 62 H 4.4526 8.3280 113.9258 58.6355 28.6861 177.1401 63 I 3.9250 7.4066 121.9708 63.9069 37.2864 177.4617 64 F 3.8503 8.4708 122.0210 61.2411 38.9711 176.7780 65 E 4.0545 8.2448 113.7955 57.8668 29.5717 177.3027 66 K 4.3004 7.6642 118.0386 56.2197 32.8384 176.7101 67 L 4.0776 7.0780 119.3157 53.8875 42.1096 176.8117 68 E 3.9485 8.2938 119.7688 55.9955 29.9858 177.2065 69 A 3.8983 8.3282 124.8440 52.3515 18.8923 177.3714 70 I 3.8386 8.0891 123.6321 60.7331 38.8911 176.4107 71 T 4.2884 8.2125 117.9874 61.1864 71.1564 175.4547 72 D 4.3083 8.5054 121.5635 57.3507 40.8671 178.4160 73 E 3.8752 8.2139 119.3953 59.4296 29.5155 178.2948 74 E 3.8861 8.1039 119.0198 59.3803 29.6909 178.2086 75 N 4.2856 8.3313 117.0144 56.9275 38.7809 176.4565 76 D 4.3668 8.4704 119.3202 57.6322 41.1160 178.2085 77 M 4.1710 8.0576 118.6383 58.3997 32.3060 178.0481 78 L 3.9777 8.3879 120.9072 57.9849 41.9469 178.4481 79 D 4.4319 7.9263 118.4569 56.8660 40.7809 177.2944 80 L 4.4587 7.3524 115.8300 54.3425 41.8441 176.5022 81 A 4.3224 7.6440 122.3613 51.4018 19.1333 177.5344 82 Y 4.0413 8.5670 122.5065 58.6547 39.3399 175.9480 83 G 3.4495 7.9063 114.7398 46.0510 0.0000 173.4017 84 L 4.0209 7.9719 121.3051 55.0237 42.5190 175.7597 85 T 4.7298 8.3823 115.3218 59.5639 71.7102 173.5241 86 D 4.4124 8.5352 119.8707 56.6613 41.0107 177.3436 87 R 2.8594 7.5812 118.5252 55.4382 31.0224 175.7783 88 S 5.4753 7.9932 114.0129 57.5021 64.9772 173.9521 89 R 4.9354 9.1216 120.8260 54.6096 35.3668 174.5267 90 L 4.5421 9.4279 122.0524 53.8693 41.9392 178.3964 91 G 4.0280 9.1271 115.2387 48.8492 0.0000 174.4068 92 C 4.4243 8.0929 112.4222 59.8240 29.9763 173.9520 93 Q 4.3490 8.2895 118.7399 55.9182 29.1785 175.0502 94 I 4.4093 7.6270 120.3236 59.7881 39.0196 174.4597 95 C 4.9579 8.5738 125.4223 58.3111 29.4648 173.7115 96 L 4.2837 9.1429 126.8306 55.5777 43.0015 175.8433 97 T 4.9883 8.3240 114.5599 59.3426 72.3565 174.5727 98 K 3.8596 8.8251 122.3638 59.4662 32.3202 178.6334 99 A 4.0812 7.4183 120.5036 55.1050 18.4320 178.0415 100 M 4.2730 8.1975 114.3336 55.9346 32.3498 175.7892 101 D 4.3776 7.5651 119.3680 56.0045 41.4917 175.8075 102 N 4.3264 9.1633 122.5943 53.9938 37.0533 174.2782 103 M 4.3911 8.0735 116.7864 55.7716 32.7561 175.1820 104 T 5.0201 8.3141 115.9339 61.9210 71.3167 173.9142 105 V 4.3805 8.6579 119.4226 59.2635 35.7178 174.5633 106 R 4.9448 8.5698 123.1608 54.5600 33.2674 174.3133 107 V 4.6420 8.6392 126.8906 60.6996 32.5782 173.9875 108 P 4.4957 0.0000 0.0000 63.0791 31.4671 175.9767 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 D 8.35 4.71 0.00 2.71 2.54 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 6 K 8.63 4.62 0.00 1.79 1.91 0.00 1.49 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.51 7.81 7 I 8.89 4.61 1.87 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 0.69 0.92 0.00 0.00 8 T 8.80 4.73 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 9 V 8.60 4.44 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 0.14 0.00 0.00 0.88 0.00 0.00 10 H 8.75 5.15 0.00 3.06 3.17 0.00 5.64 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 F 9.40 5.03 0.00 2.93 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 12 I 9.04 4.51 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.70 0.92 0.00 0.00 13 N 9.24 4.90 0.00 2.81 2.95 0.00 0.00 6.83 7.34 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 14 R 8.47 3.97 0.00 1.86 2.00 0.00 3.27 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 15 D 8.12 4.57 0.00 2.76 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 16 G 8.29 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 17 E 8.49 4.48 0.00 1.99 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 2.40 2.43 0.00 18 T 8.38 4.89 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 1.25 0.00 0.00 19 L 9.27 4.71 0.00 1.55 1.55 0.82 0.47 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 20 T 8.53 5.11 4.29 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 1.16 0.00 0.00 21 T 8.52 4.66 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 1.29 0.00 0.00 22 K 8.63 5.22 0.00 1.63 1.73 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.72 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.41 7.81 23 G 9.06 4.41 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 0.00 24 K 8.82 4.95 0.00 1.83 1.93 0.00 1.38 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.73 1.55 7.81 25 I 8.39 3.95 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 1.36 0.54 0.92 0.00 0.00 26 G 8.88 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.08 4.61 0.00 2.88 2.64 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 28 S 8.83 4.92 0.00 4.23 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 29 L 8.54 4.25 0.00 2.19 2.08 1.18 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.11 4.28 0.00 1.89 1.76 1.13 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.17 4.42 0.00 3.03 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 32 V 7.80 3.60 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 1.15 0.00 0.00 1.08 0.00 0.00 33 V 7.73 2.97 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 0.53 0.00 0.00 -0.12 0.00 0.00 34 V 8.16 3.68 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 0.88 0.00 0.00 1.02 0.00 0.00 35 Q 8.26 4.10 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 36 N 7.51 4.74 0.00 2.63 2.77 0.00 0.00 7.12 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 7.79 4.15 0.00 2.82 2.82 0.00 0.00 6.93 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.46 3.96 0.00 1.32 1.31 0.25 0.89 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 39 D 8.23 4.47 0.00 2.57 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 6.96 4.15 1.64 0.00 0.00 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 1.29 0.86 0.98 0.00 0.00 41 D 8.69 4.37 0.00 2.61 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 42 G 8.98 3.90 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 0.00 0.00 0.00 43 F 7.46 4.32 0.00 3.13 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 44 G 8.68 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.75 3.96 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 46 C 8.04 4.35 0.00 3.11 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 47 E 8.97 4.05 0.00 2.12 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 0.00 2.25 2.39 0.00 48 G 8.46 3.87 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 0.00 0.00 0.00 49 T 7.46 4.31 4.24 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 1.26 0.00 0.00 50 L 7.92 3.54 0.00 1.78 1.76 1.08 1.00 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 51 A 8.09 4.73 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 52 C 7.59 4.72 0.00 3.01 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 53 S 8.32 4.70 0.00 3.94 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 54 T 8.03 4.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 55 C 7.50 2.45 0.00 2.68 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 56 H 7.77 4.69 0.00 3.40 3.31 0.00 5.71 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 9.44 5.18 0.00 1.70 1.24 1.20 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.75 5.04 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.67 0.90 0.00 0.00 59 F 9.14 4.96 0.00 3.07 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.66 4.23 0.00 2.03 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 2.43 2.30 0.00 61 Q 9.03 4.07 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.89 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 62 H 8.33 4.45 0.00 3.39 3.45 0.00 5.57 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.41 3.93 2.10 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 1.22 0.85 1.07 0.00 0.00 64 F 8.47 3.85 0.00 3.15 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 65 E 8.24 4.05 0.00 2.15 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 0.00 2.50 2.30 0.00 66 K 7.66 4.30 0.00 1.82 1.83 0.00 1.59 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.40 7.81 67 L 7.08 4.08 0.00 1.23 1.27 -0.11 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.29 3.95 0.00 1.88 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 2.25 2.22 0.00 69 A 8.33 3.90 1.19 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 0.00 0.00 70 I 8.09 3.84 1.81 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 1.46 0.99 0.89 0.00 0.00 71 T 8.21 4.29 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 72 D 8.51 4.31 0.00 2.70 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 73 E 8.21 3.88 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 74 E 8.10 3.89 0.00 2.09 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 2.32 2.33 0.00 75 N 8.33 4.29 0.00 2.99 2.90 0.00 0.00 7.28 8.35 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 76 D 8.47 4.37 0.00 2.78 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 77 M 8.06 4.17 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.71 0.00 78 L 8.39 3.98 0.00 1.94 1.82 0.83 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.93 4.43 0.00 2.92 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 80 L 7.35 4.46 0.00 1.61 1.69 0.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 81 A 7.64 4.32 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 8.57 4.04 0.00 2.96 2.97 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 83 G 7.91 3.45 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 0.00 0.00 0.00 84 L 7.97 4.02 0.00 1.71 1.55 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.38 4.73 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 86 D 8.54 4.41 0.00 2.56 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.58 2.86 0.00 1.56 1.79 0.00 3.24 0.00 0.00 3.08 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.21 0.00 88 S 7.99 5.48 0.00 3.90 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 89 R 9.12 4.94 0.00 1.93 1.92 0.00 3.38 0.00 0.00 3.06 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.41 0.00 90 L 9.43 4.54 0.00 1.71 1.62 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 91 G 9.13 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 0.00 0.00 0.00 92 C 8.09 4.42 0.00 3.13 3.09 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 93 Q 8.29 4.35 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.57 0.00 94 I 7.63 4.41 2.06 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 1.53 1.53 0.98 0.00 0.00 95 C 8.57 4.96 0.00 2.86 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 96 L 9.14 4.28 0.00 2.00 1.57 0.97 0.66 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 97 T 8.32 4.99 4.24 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 1.25 0.00 0.00 98 K 8.83 3.86 0.00 1.81 1.86 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.46 7.81 99 A 7.42 4.08 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 0.00 100 M 8.20 4.27 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.53 0.00 101 D 7.57 4.38 0.00 2.74 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 N 9.16 4.33 0.00 2.94 2.97 0.00 0.00 7.09 8.15 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 0.00 103 M 8.07 4.39 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 104 T 8.31 5.02 4.20 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 1.16 0.00 0.00 105 V 8.66 4.38 1.51 0.00 0.00 0.00 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 0.32 0.00 0.00 106 R 8.57 4.94 0.00 1.80 1.68 0.00 3.08 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 107 V 8.64 4.64 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 1.00 0.00 0.00 1.04 0.00 0.00 108 P 0.00 4.50 0.00 2.30 1.97 0.00 3.99 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 1.98 1.51 0.00 * Residues marked with a * may have inaccurate shift predictions.