NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 G 4.4993 8.4381 107.8330 46.5606 0.0000 172.2624 10 K 5.0040 8.2661 118.0020 54.4695 36.3679 172.8090 11 L 5.2699 9.4588 125.7550 53.6968 44.7316 176.4131 12 T 4.9569 9.1723 116.5936 60.2102 72.4297 172.6521 13 T 4.7770 7.9713 116.2566 59.9097 71.5686 172.2870 14 H 4.5945 8.1980 119.1512 55.6641 32.7801 172.2231 15 I 4.5576 8.6858 128.1396 59.8734 39.3954 174.7368 16 L 4.8504 8.4286 127.7560 53.0301 45.2794 174.7520 17 D 4.8188 9.2050 127.5249 54.3250 40.9221 176.7871 18 L 4.3535 9.1842 127.0466 57.3155 42.2907 179.7023 19 T 4.1330 9.1586 109.4936 63.9297 68.8062 174.7215 20 C 4.7009 7.5720 109.8734 56.5908 30.9673 174.7123 21 G 3.9178 8.5985 108.3893 45.9109 0.0000 173.0859 22 K 4.7798 7.5301 117.8603 53.1961 35.9419 173.8401 23 P 4.7520 0.0000 0.0000 62.6251 32.1876 176.3879 24 A 4.3444 8.7714 124.6446 50.5666 19.2133 176.9576 25 A 3.9614 9.3908 125.5406 54.5223 19.0760 178.9627 26 N 4.6093 8.0537 114.3724 53.6399 35.6203 172.6457 27 V 4.4471 9.1726 130.7952 61.6492 34.3648 174.1378 28 K 3.9505 8.5194 128.5226 55.9617 33.5481 175.1990 29 I 4.5845 8.9756 129.2742 59.4953 39.6173 174.6245 30 G 4.3032 8.9841 115.5921 44.3121 0.0000 172.2683 31 L 5.1677 8.0158 126.8717 53.2422 45.5940 175.0399 32 K 4.3078 8.2248 120.4185 56.2475 35.7963 174.5890 33 R 4.2392 8.1357 120.2319 55.5276 31.6246 175.7517 34 L 3.8025 7.8129 124.0961 57.2132 41.9703 176.0620 35 G 4.2526 9.1564 119.9384 45.8145 0.0000 173.5481 36 E 4.0579 6.9685 117.7777 55.8758 29.9673 176.5906 37 S 4.5633 8.0507 114.4691 56.7575 64.6655 173.4151 38 I 4.1233 7.9027 121.8542 60.9125 37.8255 175.3653 *40 K 4.0338 8.3708 120.5754 56.7867 33.6414 175.4937 41 E 4.9881 8.6577 122.3513 54.6651 31.0896 175.0760 42 V 4.4809 8.4718 117.5023 59.8027 34.6835 174.2955 43 Y 5.2937 8.4969 119.4855 56.3917 40.9562 175.7104 44 T 4.7073 8.5553 112.3484 61.3770 71.0424 174.4009 45 N 4.9739 9.7055 122.3254 51.6639 38.7953 175.7532 46 N 4.5515 8.6224 115.2609 55.7163 38.5234 175.4836 47 D 4.5487 8.6585 117.1216 53.7392 41.4889 176.6667 48 G 3.8254 8.8247 106.2424 46.4522 0.0000 173.5553 49 R 4.7636 7.7238 119.1412 54.0218 33.4135 173.8470 50 V 4.4934 8.0529 116.9570 61.5531 33.8129 175.5207 51 D 4.4218 8.7707 127.3037 57.0573 41.0323 176.5362 52 V 4.2516 7.3045 118.2022 60.2820 33.1160 173.9294 53 P 4.3427 0.0000 0.0000 62.9158 31.7872 176.5140 54 L 4.1405 8.2402 121.9250 57.6183 41.9172 177.9445 55 L 5.2734 7.6041 115.2433 53.6611 45.8195 174.3350 56 A 4.8189 8.8102 121.8847 52.4328 22.9959 177.0983 57 G 3.7745 9.1651 110.0977 47.1708 0.0000 175.5089 58 E 4.2144 8.9388 124.1778 56.8115 29.2098 176.6779 59 E 4.3103 8.0219 122.1551 56.8964 30.6336 175.9994 60 L 4.4618 7.4177 119.4291 53.8374 43.1924 175.4694 *62 S 4.3402 8.2937 115.9748 56.9317 63.3251 174.2565 63 G 3.7364 7.5663 113.9323 45.2545 0.0000 170.1962 64 E 4.8266 7.6476 118.6050 55.0789 31.8306 175.1955 65 Y 4.8400 8.2802 120.4171 56.3819 43.1402 173.8158 66 V 4.9878 8.9133 119.8150 61.2736 36.2740 172.9486 *68 E 4.3573 8.5509 119.8685 56.1810 30.9867 175.1302 69 F 4.8452 8.9234 124.0555 56.0269 40.9659 176.6745 70 H 4.7185 8.7079 124.7777 54.2772 25.2830 175.9109 71 A 4.0106 7.8180 126.9058 55.3079 19.0322 179.2596 72 G 3.9341 8.4019 104.4765 48.4732 0.0000 175.5667 73 D 4.5039 8.0875 120.3822 57.0831 40.3998 177.8653 74 Y 3.9265 7.8127 119.5200 60.8821 38.6550 178.0906 75 F 4.5456 8.4742 115.7307 59.0756 39.2929 176.8996 76 A 4.3588 7.5925 120.3800 54.3960 18.6232 179.0123 77 S 4.3704 7.8862 109.9793 59.7009 63.0990 174.7762 78 K 4.3381 6.8292 116.7216 55.1458 33.3444 175.0950 79 N 3.9793 8.0027 117.8831 53.7043 35.2917 173.1264 *81 N 4.5750 8.1610 118.8501 51.2567 40.7896 175.3133 82 A 4.4092 8.0437 117.6961 52.2612 16.3692 176.3168 83 A 4.4614 7.0445 117.6271 53.3554 22.6638 177.8018 84 D 4.4866 9.1482 122.7829 56.5647 41.1615 176.6017 85 Q 4.5159 7.6315 120.0726 52.6463 28.3999 171.9910 86 P 4.4148 0.0000 0.0000 62.1838 32.2137 176.6881 87 F 4.3580 9.0758 124.2183 60.1939 39.6847 175.2422 88 L 4.7072 7.9504 119.6298 52.7666 44.2902 173.6823 89 T 4.4321 8.0909 111.0978 61.4522 71.3771 173.2536 90 I 4.4722 8.0325 121.8407 59.4128 39.3222 176.0757 91 V 4.0674 9.3115 130.0769 61.7796 32.1320 174.4355 92 T 4.6633 8.3176 118.9065 60.4370 70.0924 174.3548 93 V 4.4764 8.3622 124.7976 61.1933 34.4240 173.9309 94 R 4.7997 8.8055 128.6305 55.0363 31.5325 174.8931 95 F 5.0622 8.1070 118.3089 55.9562 41.8266 172.3765 96 Q 4.9430 8.8104 120.6987 54.3666 31.3368 174.5785 97 L 3.9626 9.4355 127.6774 53.3745 42.4669 176.5911 98 A 4.2369 9.0124 129.0830 54.1113 19.6050 176.4156 99 D 4.5195 8.5379 111.4187 53.3586 42.0049 176.1981 100 P 4.5848 0.0000 0.0000 64.4152 31.7868 176.5499 101 D 4.7525 8.9716 116.5739 53.9517 41.3809 176.1058 102 A 4.3570 7.6512 121.6893 51.6722 20.6430 176.0182 103 H 5.2527 8.3209 115.7770 54.4633 30.8905 174.0885 104 Y 4.5490 9.2350 121.9121 56.5749 40.4795 174.2405 105 H 5.1869 8.7927 125.2648 54.6840 31.9571 173.3358 106 I 4.6744 8.4662 127.8208 57.9504 38.7980 173.3056 107 P 4.4336 0.0000 0.0000 62.0802 32.9926 175.3458 108 L 4.9808 8.8209 124.9616 53.3906 45.2048 175.1956 109 L 4.8445 9.3912 127.8521 53.4708 42.8087 174.9788 110 L 5.0483 8.3627 126.6881 53.6091 44.3835 175.1342 111 S 4.9837 8.8672 118.3542 56.3329 65.8376 173.2056 112 P 4.0317 0.0000 0.0000 64.4999 30.9769 177.1057 113 F 4.8601 7.8707 114.8008 56.1236 40.0548 174.9918 114 G 4.0967 7.5228 111.0126 46.2811 0.0000 170.5301 115 Y 5.4502 7.3353 116.5199 56.4155 41.2155 173.8387 116 Q 4.6140 9.5531 120.4147 54.7491 32.1215 173.9890 117 V 5.5893 8.6311 118.8013 58.9238 35.6206 174.1741 118 Y 4.6282 7.6709 119.0535 56.6399 40.7471 172.2427 119 R 4.2228 8.8755 121.2595 55.4750 30.7301 176.2535 120 G 4.0804 8.8133 114.7995 45.7898 0.0000 173.7591 121 S 4.5014 8.5130 114.5265 58.1488 63.3672 174.1049 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 G 8.44 4.50 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 0.00 0.00 0.00 10 K 8.27 5.00 0.00 2.01 1.92 0.00 1.50 0.00 0.00 1.87 0.00 0.00 2.74 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.71 1.63 7.81 11 L 9.46 5.27 0.00 1.64 1.49 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 12 T 9.17 4.96 4.30 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 1.24 0.00 0.00 13 T 7.97 4.78 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 1.25 0.00 0.00 14 H 8.20 4.59 0.00 3.26 3.08 0.00 5.71 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.69 4.56 1.60 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 0.67 0.30 0.50 0.00 0.00 16 L 8.43 4.85 0.00 1.80 1.50 1.00 0.96 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 17 D 9.21 4.82 0.00 2.85 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 18 L 9.18 4.35 0.00 1.74 1.76 1.00 0.40 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 T 9.16 4.13 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 1.20 0.00 0.00 20 C 7.57 4.70 0.00 3.12 3.08 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 21 G 8.60 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 22 K 7.53 4.78 0.00 1.75 1.74 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.47 7.81 23 P 0.00 4.75 0.00 2.13 2.09 0.00 3.70 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 2.05 2.14 0.00 24 A 8.77 4.34 0.65 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 0.00 0.00 25 A 9.39 3.96 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 26 N 8.05 4.61 0.00 3.01 3.39 0.00 0.00 6.24 7.68 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 27 V 9.17 4.45 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 0.83 0.00 0.00 0.49 0.00 0.00 28 K 8.52 3.95 0.00 1.49 1.36 0.00 1.56 0.00 0.00 1.54 0.00 0.00 2.33 0.00 0.00 2.15 0.00 0.00 0.00 0.00 1.03 0.56 7.81 29 I 8.98 4.58 1.83 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.90 0.54 0.00 0.00 30 G 8.98 4.30 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 0.00 31 L 8.02 5.17 0.00 1.66 1.40 0.89 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.22 4.31 0.00 1.91 1.87 0.00 1.20 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.16 1.41 7.81 33 R 8.14 4.24 0.00 1.66 1.58 0.00 3.34 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.64 0.00 34 L 7.81 3.80 0.00 1.48 1.44 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 35 G 9.16 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 0.00 0.00 0.00 0.00 36 E 6.97 4.06 0.00 1.83 1.90 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 2.30 2.19 0.00 37 S 8.05 4.56 0.00 3.95 3.84 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 0.00 0.00 0.00 38 I 7.90 4.12 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.44 0.93 0.00 0.00 *40 K 8.37 4.03 0.00 1.69 1.71 0.00 1.60 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.46 7.81 41 E 8.66 4.99 0.00 1.74 1.71 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 2.08 2.25 0.00 42 V 8.47 4.48 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 0.78 0.00 0.00 0.89 0.00 0.00 43 Y 8.50 5.29 0.00 2.76 2.84 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 0.00 0.00 0.00 44 T 8.56 4.71 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 1.27 0.00 0.00 45 N 9.71 4.97 0.00 2.81 3.02 0.00 0.00 7.12 6.84 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 46 N 8.62 4.55 0.00 2.74 2.95 0.00 0.00 6.77 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 47 D 8.66 4.55 0.00 2.60 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 48 G 8.82 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 49 R 7.72 4.76 0.00 1.85 1.87 0.00 3.11 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 50 V 8.05 4.49 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 0.93 0.00 0.00 0.94 0.00 0.00 51 D 8.77 4.42 0.00 2.72 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 52 V 7.30 4.25 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 0.82 0.00 0.00 0.94 0.00 0.00 53 P 0.00 4.34 0.00 2.08 2.01 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 54 L 8.24 4.14 0.00 1.75 1.66 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.60 5.27 0.00 1.53 1.40 0.26 0.93 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 56 A 8.81 4.82 1.22 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 0.00 0.00 57 G 9.17 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 58 E 8.94 4.21 0.00 1.98 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 2.30 0.00 59 E 8.02 4.31 0.00 1.97 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 2.21 2.22 0.00 60 L 7.42 4.46 0.00 1.68 1.69 0.97 0.95 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 *62 S 8.29 4.34 0.00 3.97 3.80 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 63 G 7.57 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 64 E 7.65 4.83 0.00 1.72 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 2.22 2.20 0.00 65 Y 8.28 4.84 0.00 1.73 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 66 V 8.91 4.99 2.02 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 1.14 0.00 0.00 0.85 0.00 0.00 *68 E 8.55 4.36 0.00 1.85 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 0.00 2.21 2.25 0.00 69 F 8.92 4.85 0.00 2.88 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 70 H 8.71 4.72 0.00 3.12 3.27 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.82 4.01 1.43 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 0.00 0.00 0.00 72 G 8.40 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 73 D 8.09 4.50 0.00 2.92 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 74 Y 7.81 3.93 0.00 2.95 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 75 F 8.47 4.55 0.00 3.21 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 76 A 7.59 4.36 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 0.00 0.00 77 S 7.89 4.37 0.00 3.98 3.95 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 78 K 6.83 4.34 0.00 1.74 1.77 0.00 1.72 0.00 0.00 1.51 0.00 0.00 2.34 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.10 0.98 7.81 79 N 8.00 3.98 0.00 2.86 2.86 0.00 0.00 6.90 8.00 0.00 0.00 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 N 8.16 4.57 0.00 2.82 3.06 0.00 0.00 6.97 7.54 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 82 A 8.04 4.41 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 83 A 7.04 4.46 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 84 D 9.15 4.49 0.00 2.71 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 85 Q 7.63 4.52 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.87 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 86 P 0.00 4.41 0.00 2.22 2.06 0.00 3.78 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.30 0.00 87 F 9.08 4.36 0.00 3.07 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 88 L 7.95 4.71 0.00 1.92 1.64 0.84 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.09 4.43 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 1.22 0.00 0.00 90 I 8.03 4.47 1.79 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.73 0.77 0.00 0.00 91 V 9.31 4.07 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 -0.20 0.00 0.00 0.78 0.00 0.00 92 T 8.32 4.66 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 1.21 0.00 0.00 93 V 8.36 4.48 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 1.17 0.00 0.00 1.11 0.00 0.00 94 R 8.81 4.80 0.00 1.83 1.86 0.00 3.28 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 95 F 8.11 5.06 0.00 3.17 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 96 Q 8.81 4.94 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.91 0.00 0.00 0.00 0.00 0.00 2.25 2.49 0.00 97 L 9.44 3.96 0.00 1.56 1.21 0.69 0.36 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 98 A 9.01 4.24 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 99 D 8.54 4.52 0.00 2.74 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 0.00 100 P 0.00 4.58 0.00 2.13 2.13 0.00 3.76 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 2.06 2.14 0.00 101 D 8.97 4.75 0.00 2.71 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 0.00 102 A 7.65 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 H 8.32 5.25 0.00 2.96 3.19 0.00 5.65 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 0.00 104 Y 9.24 4.55 0.00 2.85 2.83 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 0.00 105 H 8.79 5.19 0.00 3.17 3.12 0.00 5.62 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.47 4.67 1.61 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.43 0.74 0.00 0.00 107 P 0.00 4.43 0.00 1.44 1.82 0.00 2.95 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.95 0.00 108 L 8.82 4.98 0.00 1.26 1.06 -0.40 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 109 L 9.39 4.84 0.00 1.66 1.68 0.98 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.36 5.05 0.00 1.62 1.37 1.08 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 111 S 8.87 4.98 0.00 3.97 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 0.00 112 P 0.00 4.03 0.00 0.49 1.34 0.00 2.86 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.44 0.00 113 F 7.87 4.86 0.00 3.00 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 0.00 114 G 7.52 4.10 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 0.00 0.00 0.00 115 Y 7.34 5.45 0.00 3.01 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 0.00 116 Q 9.55 4.61 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 117 V 8.63 5.59 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 1.10 0.00 0.00 1.17 0.00 0.00 118 Y 7.67 4.63 0.00 3.00 3.01 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 0.00 119 R 8.88 4.22 0.00 1.91 1.96 0.00 3.43 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 120 G 8.81 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 0.00 0.00 0.00 121 S 8.51 4.50 0.00 3.98 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.