NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.3806 8.1233 123.5868 52.2048 19.4149 179.3840 10 N 4.4416 8.6805 111.1471 56.8195 38.4679 175.6572 11 S 4.0877 8.7663 117.9308 61.7594 63.5444 175.9856 12 T 3.8852 7.9135 117.9803 66.7282 68.1240 176.6291 13 V 3.3919 7.1526 118.1532 65.9702 31.6094 178.1774 14 L 3.7597 7.9697 118.8854 57.4684 41.1873 179.6241 15 S 3.9796 8.4762 113.6677 61.2808 62.2496 175.4890 16 F 4.3435 7.8344 121.8007 62.1169 39.4021 176.8647 17 C 3.8159 8.3325 115.7749 62.1926 27.5983 175.7369 18 A 3.5917 7.4247 122.9665 54.9232 17.7949 178.2763 19 F 4.5846 7.1770 110.6249 57.2986 39.8830 176.2454 20 A 4.1072 7.3491 125.2231 51.7066 18.5990 179.3345 21 V 3.8584 8.2898 115.1841 63.6835 32.0893 176.6387 22 D 4.6957 7.5869 118.0395 50.3686 41.7499 173.1296 23 P 4.1700 0.0000 0.0000 65.0581 31.5668 177.3560 24 A 3.9574 7.9680 118.7099 55.2744 18.4025 179.4165 25 K 3.8968 8.6743 117.9079 59.4014 32.1428 178.6612 26 A 4.0358 7.9386 121.1110 55.5922 18.3375 178.9790 27 Y 4.5147 8.1354 117.7553 60.6751 38.6466 178.4545 28 K 3.7868 8.0954 120.6782 59.6735 32.1883 178.6430 29 D 4.3548 8.4049 118.1891 57.2951 41.1097 177.7152 30 Y 4.2956 8.6306 120.5875 60.8961 38.7760 178.4566 31 L 3.6477 7.9317 119.4520 57.5713 41.5422 179.1823 32 A 4.1192 7.9995 119.3148 54.1836 18.2210 178.6644 33 S 4.6084 7.3793 111.7748 57.8495 63.4357 175.0110 34 G 3.7881 8.1477 109.9189 45.1850 0.0000 174.7266 35 G 2.6251 6.9839 107.7704 44.6639 0.0000 173.3743 36 Q 4.1523 8.3936 123.1590 54.4881 29.7630 174.2270 37 P 4.6904 0.0000 0.0000 62.7766 32.0369 176.0026 38 I 3.9524 9.2773 123.1028 61.6668 37.2839 176.0577 39 T 4.5796 8.6932 116.2044 60.5943 71.2109 172.9053 40 N 4.3400 8.6646 114.8824 54.9236 34.8686 174.5105 41 C 4.6150 7.9726 113.8404 58.8255 30.1248 173.8770 42 V 4.1623 8.2445 115.3636 60.9316 32.8041 175.0905 43 K 4.7028 8.5632 124.2969 55.0702 33.5979 175.8116 44 M 4.3419 9.0651 126.0369 54.1868 33.3836 176.5411 45 L 4.0895 8.4641 125.0773 54.7247 41.7170 176.5868 46 C 4.4155 7.9802 130.5908 57.3643 30.0815 173.0017 47 T 3.8898 7.4379 118.6407 64.7095 69.5663 175.7858 48 H 4.1072 8.5592 118.4955 56.4822 27.1241 174.1382 49 T 4.7292 8.2157 116.4260 63.2451 72.4798 174.4287 50 G 3.9810 8.5111 116.1134 44.9649 0.0000 173.1735 51 T 3.9371 9.3980 109.9656 62.8190 68.9941 175.8561 52 G 3.9765 8.2343 110.1389 45.2121 0.0000 173.7649 53 Q 4.0760 7.3209 117.0003 55.9494 29.6205 176.8456 54 A 3.9958 8.7577 122.7371 54.6207 19.1756 177.6408 55 I 5.0496 7.4412 114.9679 59.7869 39.9439 175.0439 56 T 4.8405 8.9835 116.3792 60.0137 72.5150 175.0483 57 V 4.1467 8.6248 113.7278 62.4144 32.1490 176.4067 58 T 4.3240 7.5445 108.3156 59.2161 71.1576 171.6246 59 P 4.3074 0.0000 0.0000 63.7819 31.8735 176.1278 60 E 4.6220 9.4804 119.5194 55.6962 31.6834 175.1464 61 A 4.4869 7.5419 121.1077 53.1014 19.0930 178.6423 62 N 5.1539 8.5789 119.2336 52.9601 40.7167 174.8817 63 M 4.2193 8.6257 117.3575 58.4522 32.6951 176.6105 64 D 4.9438 8.0451 116.6738 54.0849 42.2669 175.6739 65 Q 5.1869 7.9177 116.5921 54.3607 33.3635 173.8803 66 E 4.6956 9.1592 118.9638 54.7583 33.7067 175.4817 67 S 5.1403 8.2780 118.2074 57.2645 64.9593 173.4455 68 F 5.2445 9.3222 124.1204 55.3410 41.9042 175.3306 69 G 3.8594 9.1229 108.8757 46.2273 0.0000 174.4845 70 G 4.0683 9.3314 113.3974 48.1598 0.0000 175.3300 71 A 4.0027 8.0535 122.9891 55.0535 18.2528 179.6659 72 S 4.1690 7.2941 110.6889 61.2567 63.1087 175.4056 73 C 4.4523 7.9764 116.6105 59.4323 28.8768 172.5534 74 C 4.6895 8.6564 121.4078 55.4362 44.4088 173.0873 75 L 3.8236 8.3903 130.6771 58.5397 41.5687 178.3930 76 Y 3.7595 7.3251 115.7464 61.0299 37.6497 178.9487 77 C 4.2353 8.1181 115.7006 60.2520 40.5715 176.1990 78 R 3.6358 8.9823 117.7239 58.3452 29.6540 177.8365 79 C 4.1840 7.5676 114.7170 58.7320 29.1726 172.8569 80 H 4.0213 7.9884 116.7396 56.8260 25.8790 174.2197 81 I 4.5984 7.2629 109.6957 58.5951 40.8171 174.3573 82 D 4.5240 8.3621 120.9676 54.7556 41.2329 175.3103 83 H 4.3011 8.1851 115.4767 53.4780 32.3799 172.2246 84 P 4.3048 0.0000 0.0000 65.0436 31.8452 176.9126 85 N 3.7115 7.6549 112.0982 57.1967 38.3496 174.7658 *89 F 4.1103 8.0710 118.8913 57.2735 41.1873 174.6770 90 C 4.3387 8.2976 118.1084 57.9170 30.1314 174.6784 91 D 4.5687 8.8663 120.1606 54.2314 38.7754 176.5157 92 L 4.4708 8.4122 122.3494 56.2476 43.2950 177.0708 93 K 3.8339 8.0955 118.0874 58.2387 32.1759 176.5254 94 G 3.8053 8.8694 112.7576 45.6240 0.0000 172.3591 95 K 4.6265 8.1677 119.0268 54.4818 36.3431 174.2634 96 Y 5.0996 8.9168 118.2207 56.3809 41.2190 175.2101 97 V 4.9150 8.8946 124.0533 61.4580 33.9190 174.2369 98 Q 5.1315 9.0902 127.6244 54.9230 29.8312 175.2242 99 I 4.2440 8.7206 124.9773 58.2563 40.4811 173.2456 100 P 4.4969 0.0000 0.0000 63.7813 31.8301 177.1684 101 T 4.1050 9.2885 123.2124 67.0375 68.5230 176.3532 102 T 3.9827 7.9650 109.0261 63.9270 68.9231 174.2370 103 C 4.6777 9.2444 118.8390 59.3400 28.9823 175.0063 104 A 4.2785 8.0078 121.9542 53.5153 17.6962 178.3551 105 N 4.6835 7.8413 112.5606 53.3228 38.7905 175.4519 106 D 4.7068 7.7166 117.1638 51.8247 43.1920 173.4588 107 P 3.9319 0.0000 0.0000 66.0207 31.8218 177.9189 108 V 3.9714 7.3519 117.2837 65.9837 31.2371 178.1104 109 G 3.9037 8.8925 104.9414 47.4417 0.0000 175.1557 110 F 3.7664 8.1439 123.3721 61.4713 39.2148 177.0325 111 T 3.7975 7.6720 108.0296 65.0971 68.3493 175.7981 112 L 4.1747 7.3433 119.3170 57.6480 41.7880 179.2890 113 R 4.0635 7.7746 116.3955 56.9168 30.2575 176.1383 114 N 4.9073 7.0900 115.0001 51.5501 41.1997 173.7666 115 T 4.9515 8.2434 114.6116 61.9874 72.6063 173.4257 116 V 4.0543 8.3880 125.4925 61.8074 32.8779 175.0213 117 C 4.3934 9.1381 129.6868 59.4905 31.7819 174.6855 118 T 3.8792 8.7314 116.7445 64.4117 68.7475 175.8373 119 V 3.7525 7.7391 121.5898 65.3898 31.7402 176.3983 120 C 4.2743 7.9996 112.6126 57.7779 30.4469 174.9746 121 G 3.8728 8.3859 109.2642 46.0277 0.0000 172.7482 122 M 4.7773 7.0918 119.0716 52.6168 35.3362 175.4862 123 W 4.9351 8.6667 120.6706 57.2655 30.2704 175.5752 124 K 4.1138 9.6282 127.8945 58.2067 31.5794 175.8897 125 G 4.2117 9.4251 116.0724 45.3758 0.0000 173.3782 126 Y 4.7313 8.4692 115.6628 56.0301 37.9165 174.4085 127 G 3.5941 8.4656 112.3398 45.8627 0.0000 173.4062 128 C 4.0100 8.0585 121.2202 60.5356 31.9731 173.3806 129 S 4.1751 8.7702 121.8066 59.1994 62.3647 171.2145 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 9 A 8.12 4.38 1.25 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 0.00 0.00 10 N 8.68 4.44 0.00 2.81 2.82 0.00 0.00 6.87 6.68 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 11 S 8.77 4.09 0.00 3.87 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 12 T 7.91 3.89 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 1.23 0.00 0.00 13 V 7.15 3.39 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 0.41 0.00 0.00 0.55 0.00 0.00 14 L 7.97 3.76 0.00 1.68 1.55 0.87 0.71 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 15 S 8.48 3.98 0.00 3.99 3.98 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 0.00 0.00 0.00 16 F 7.83 4.34 0.00 3.10 3.33 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 17 C 8.33 3.82 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 18 A 7.42 3.59 0.69 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 0.00 0.00 19 F 7.18 4.58 0.00 2.99 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 20 A 7.35 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.29 3.86 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 0.70 0.00 0.00 0.93 0.00 0.00 22 D 7.59 4.70 0.00 2.68 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 0.00 0.00 0.00 0.00 23 P 0.00 4.17 0.00 2.03 1.96 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 2.13 2.32 0.00 24 A 7.97 3.96 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 25 K 8.67 3.90 0.00 1.92 1.96 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.49 7.81 26 A 7.94 4.04 1.11 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 27 Y 8.14 4.51 0.00 2.92 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 28 K 8.10 3.79 0.00 1.88 1.93 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.44 7.81 29 D 8.40 4.35 0.00 2.93 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 30 Y 8.63 4.30 0.00 3.24 3.27 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 31 L 7.93 3.65 0.00 1.70 1.50 0.41 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.00 4.12 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 33 S 7.38 4.61 0.00 3.84 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 34 G 8.15 3.79 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 0.00 0.00 0.00 35 G 6.98 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 0.00 0.00 0.00 36 Q 8.39 4.15 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.87 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 37 P 0.00 4.69 0.00 2.24 2.29 0.00 3.78 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 38 I 9.28 3.95 1.72 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.21 0.77 0.00 0.00 39 T 8.69 4.58 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 1.30 0.00 0.00 40 N 8.66 4.34 0.00 2.93 3.06 0.00 0.00 6.80 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 41 C 7.97 4.62 0.00 3.11 2.95 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 0.00 0.00 0.00 42 V 8.24 4.16 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 0.82 0.00 0.00 1.05 0.00 0.00 43 K 8.56 4.70 0.00 1.53 1.50 0.00 1.71 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.45 1.32 7.81 44 M 9.07 4.34 0.00 1.80 1.92 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.84 0.00 45 L 8.46 4.09 0.00 1.54 1.58 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 46 C 7.98 4.42 0.00 2.88 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 47 T 7.44 3.89 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 1.00 0.00 0.00 48 H 8.56 4.11 0.00 3.29 3.28 0.00 5.71 0.00 0.00 0.00 0.00 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.22 4.73 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 1.27 0.00 0.00 50 G 8.51 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 51 T 9.40 3.94 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 1.31 0.00 0.00 52 G 8.23 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 7.32 4.08 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 54 A 8.76 4.00 -0.13 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 55 I 7.44 5.05 1.79 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 1.44 0.45 0.97 0.00 0.00 56 T 8.98 4.84 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 1.23 0.00 0.00 57 V 8.62 4.15 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 0.78 0.00 0.00 0.97 0.00 0.00 58 T 7.54 4.32 4.08 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 0.00 0.00 0.00 1.22 0.00 0.00 59 P 0.00 4.31 0.00 1.84 1.88 0.00 3.13 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.21 0.00 60 E 9.48 4.62 0.00 1.95 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 2.48 2.38 0.00 61 A 7.54 4.49 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 62 N 8.58 5.15 0.00 2.77 2.87 0.00 0.00 7.01 7.27 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 63 M 8.63 4.22 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 64 D 8.05 4.94 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 65 Q 7.92 5.19 0.00 1.91 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 66 E 9.16 4.70 0.00 1.76 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 2.17 2.35 0.00 67 S 8.28 5.14 0.00 3.69 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 68 F 9.32 5.24 0.00 3.06 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 69 G 9.12 3.86 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 0.00 0.00 0.00 70 G 9.33 4.07 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 0.00 0.00 0.00 71 A 8.05 4.00 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 72 S 7.29 4.17 0.00 4.05 4.08 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 0.00 0.00 0.00 0.00 73 C 7.98 4.45 0.00 3.03 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 74 C 8.66 4.69 0.00 3.01 3.23 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 75 L 8.39 3.82 0.00 1.47 1.12 0.42 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 7.33 3.76 0.00 3.03 3.11 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 77 C 8.12 4.24 0.00 3.13 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 78 R 8.98 3.64 0.00 1.71 1.82 0.00 3.22 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.68 0.00 79 C 7.57 4.18 0.00 2.92 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 80 H 7.99 4.02 0.00 3.25 3.35 0.00 5.60 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.26 4.60 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.72 0.75 0.00 0.00 82 D 8.36 4.52 0.00 2.63 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 83 H 8.19 4.30 0.00 2.77 2.55 0.00 5.89 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.30 0.00 2.10 2.07 0.00 2.58 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 85 N 7.65 3.71 0.00 2.65 2.71 0.00 0.00 6.89 7.45 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 *89 F 8.07 4.11 0.00 2.90 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 90 C 8.30 4.34 0.00 3.21 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 91 D 8.87 4.57 0.00 2.81 2.82 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 92 L 8.41 4.47 0.00 1.73 1.80 1.03 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.10 3.83 0.00 1.81 1.86 0.00 2.05 0.00 0.00 2.12 0.00 0.00 3.15 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.50 1.53 7.81 94 G 8.87 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 0.00 0.00 0.00 95 K 8.17 4.63 0.00 1.73 1.80 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.69 7.81 96 Y 8.92 5.10 0.00 2.99 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 97 V 8.89 4.92 2.33 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 1.48 0.00 0.00 1.10 0.00 0.00 98 Q 9.09 5.13 0.00 2.30 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.36 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 99 I 8.72 4.24 1.96 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.92 0.09 0.00 0.00 100 P 0.00 4.50 0.00 1.79 2.08 0.00 2.25 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 2.14 0.00 101 T 9.29 4.10 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 0.00 102 T 7.97 3.98 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 1.25 0.00 0.00 103 C 9.24 4.68 0.00 2.56 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 0.00 104 A 8.01 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 105 N 7.84 4.68 0.00 2.83 2.95 0.00 0.00 5.85 8.06 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 0.00 106 D 7.72 4.71 0.00 2.75 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 0.00 107 P 0.00 3.93 0.00 1.72 1.12 0.00 3.46 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.06 0.00 108 V 7.35 3.97 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 1.05 0.00 0.00 0.78 0.00 0.00 109 G 8.89 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 0.00 110 F 8.14 3.77 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.67 3.80 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 1.46 0.00 0.00 112 L 7.34 4.17 0.00 1.89 1.80 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 113 R 7.77 4.06 0.00 1.60 1.81 0.00 3.02 0.00 0.00 3.14 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 114 N 7.09 4.91 0.00 1.49 2.43 0.00 0.00 6.75 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 0.00 115 T 8.24 4.95 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 1.28 0.00 0.00 116 V 8.39 4.05 1.89 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 0.50 0.00 0.00 -0.03 0.00 0.00 117 C 9.14 4.39 0.00 3.05 2.88 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 0.00 118 T 8.73 3.88 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 1.20 0.00 0.00 119 V 7.74 3.75 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 0.84 0.00 0.00 0.93 0.00 0.00 120 C 8.00 4.27 0.00 3.14 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 0.00 121 G 8.39 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 0.00 122 M 7.09 4.78 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.70 0.00 123 W 8.67 4.94 0.00 3.75 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 0.00 124 K 9.63 4.11 0.00 2.10 1.86 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.53 7.81 125 G 9.43 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 0.00 0.00 0.00 0.00 126 Y 8.47 4.73 0.00 3.24 3.11 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 0.00 127 G 8.47 3.59 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 0.00 0.00 0.00 128 C 8.06 4.01 0.00 3.03 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 0.00 129 S 8.77 4.18 0.00 4.09 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 * Residues marked with a * may have inaccurate shift predictions.