NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.4909 8.1849 122.7648 55.2077 42.8585 174.8385 4 D 4.7123 8.9590 125.8179 52.5974 42.3121 174.1898 5 W 5.1920 8.5398 122.6464 55.5673 32.3673 175.1356 6 T 4.4554 8.4048 108.8983 61.3135 71.3713 171.7606 7 C 4.9624 9.0977 126.6947 57.7336 32.2749 172.3999 8 K 4.6922 8.9935 125.0911 54.6815 34.4585 175.4886 9 H 4.3789 8.6874 123.3080 55.5128 30.6220 175.7766 10 H 3.8691 8.5861 122.0301 58.8028 28.2234 177.0699 11 A 4.1898 7.8606 121.2485 54.2431 18.3970 177.4376 12 D 4.7441 8.5255 114.5005 54.2351 41.5746 177.1020 13 L 4.3945 7.3780 118.6301 55.0014 42.3833 177.1936 14 T 4.5561 8.5018 112.1072 60.1322 72.0528 175.9905 15 L 4.0459 8.3376 121.5312 57.9353 41.6440 179.9725 16 K 4.1301 8.0334 118.1742 59.9864 32.4703 178.8633 17 E 4.2952 8.0858 119.8791 59.1950 29.5130 178.9133 18 L 3.9394 8.0746 120.2450 58.3665 42.0856 178.3264 19 Y 3.9782 8.5356 119.4359 60.7443 38.7156 177.8431 20 A 3.9575 8.8212 122.1968 55.0655 18.4567 179.6141 21 L 3.5356 8.1098 118.4729 58.9696 40.5763 179.6072 22 L 3.8440 7.7714 119.9702 57.0631 41.4509 179.3435 23 Q 3.6963 7.8057 119.9251 58.7902 29.0649 177.8787 24 L 3.7904 7.8479 121.5379 58.2011 42.1337 179.1601 25 R 4.0196 7.9271 117.9895 59.6351 29.9303 179.2732 26 T 3.9325 7.8392 115.4821 66.4787 68.3654 176.2490 27 E 3.7908 8.1268 121.2802 59.1898 29.4365 178.6834 28 V 3.7362 7.4004 117.3714 65.5608 31.6624 178.0678 29 F 4.3924 8.1374 117.0309 60.4102 39.0995 177.2296 30 V 4.3793 7.7177 118.8226 65.2432 31.7493 177.5577 31 V 3.7353 9.1996 119.8388 65.1065 31.0669 177.4297 32 E 4.2094 8.4233 123.0014 58.8257 29.9541 178.2953 33 Q 4.2949 7.7653 116.5090 54.7725 29.8197 175.2437 34 K 3.7919 8.1993 117.4728 58.0362 30.0485 176.6544 35 C 4.6889 8.1671 118.5737 56.6316 32.6106 171.2144 36 P 4.9150 0.0000 0.0000 62.2117 28.7639 174.6600 37 Y 4.7967 7.6987 119.9204 55.4116 41.2543 177.3217 38 Q 3.9785 8.1294 121.4101 54.7202 27.3252 174.4307 39 E 3.3355 7.7809 124.0132 58.2654 29.9918 177.5695 40 V 3.8956 7.4905 119.6475 61.8575 29.7397 174.9001 41 D 4.4466 8.1992 121.7716 52.9585 40.1414 178.3573 42 G 3.9201 8.2515 108.1888 45.7757 0.0000 173.7877 43 L 4.4827 8.1103 118.3199 54.8642 41.9983 177.3396 44 D 4.6668 8.0615 119.8323 56.2777 41.4864 177.3101 45 L 4.6208 7.6184 117.2521 54.2348 42.4220 175.6719 46 V 4.5415 6.9351 110.3944 59.6266 37.1060 179.8624 47 G 4.0190 8.3070 111.3056 47.4196 0.0000 173.7088 48 D 5.2743 9.3437 120.8504 53.5604 42.3333 174.6772 49 T 4.2824 8.0888 109.0041 62.9195 69.7519 172.7315 50 H 5.4124 9.7150 121.4395 54.4179 32.9494 172.9397 51 H 5.0772 9.6607 117.5862 54.1455 31.6929 173.2429 52 L 5.1399 8.7801 125.7443 53.4019 44.2268 175.3108 *54 A 4.0653 8.2844 123.6100 51.4902 19.7716 175.7301 55 W 5.1517 8.7242 122.5382 55.3518 33.3533 175.5149 56 R 4.4366 9.1133 118.2194 56.9480 32.9213 174.4175 57 D 4.5415 9.7024 124.6744 55.4710 39.4069 173.7756 58 G 4.1205 8.6891 102.2244 45.6796 0.0000 173.8848 59 Q 4.5304 7.8935 117.4838 53.3866 31.6138 174.8183 60 L 3.4731 7.7715 123.7266 54.1121 42.0006 175.8147 61 L 4.4099 8.3334 126.9812 55.8889 43.4250 176.7198 62 A 5.1402 7.3446 117.7735 50.8395 22.3368 174.7998 63 Y 5.5933 9.4868 120.3535 57.6355 43.0020 173.2688 64 L 4.7469 7.0099 121.6788 54.7202 43.8957 173.3843 65 R 4.8544 9.1091 120.9812 54.4912 33.3285 174.2760 66 L 5.0612 8.6963 125.6679 53.0905 44.4326 175.2623 67 L 4.8024 8.5920 125.3741 52.9251 43.3484 176.7045 68 D 3.4707 8.4056 123.1293 51.8698 40.4740 175.6020 69 P 4.4548 0.0000 0.0000 65.4995 31.0505 179.1195 70 V 3.7110 7.4294 110.1252 63.3207 31.5156 177.5189 71 R 4.4773 7.4112 114.9332 55.8456 31.2795 176.1506 72 H 4.6423 7.2471 115.3103 55.8348 29.9379 173.2083 73 E 3.6765 8.6402 119.7081 59.8045 27.6715 177.4658 74 G 3.9396 8.0697 103.6264 45.4992 0.0000 171.7198 75 Q 4.6621 7.5185 118.2109 55.0807 33.9944 174.6639 76 V 3.7842 8.7012 124.2726 62.2944 33.2096 174.8262 77 V 4.8089 8.2915 127.9513 61.3182 33.2164 174.3741 78 I 4.5338 8.7170 130.2725 61.0075 38.2966 175.6506 79 G 3.8731 9.2827 112.0022 45.5767 0.0000 172.9607 80 R 3.8514 8.6212 115.2047 56.7545 27.7186 176.9660 81 V 4.1655 8.0371 117.5252 63.3800 32.0587 175.2996 82 V 4.6455 9.0224 126.0387 61.0444 34.9307 172.3064 83 S 5.0527 8.3260 115.7560 56.3205 66.0486 173.5685 84 S 3.9947 9.2115 118.1131 58.9187 62.9652 174.8751 85 S 3.9673 9.0079 120.5350 61.5452 62.1419 176.5456 86 A 3.9851 7.9011 120.3806 54.5742 18.0198 177.8507 87 A 4.3007 7.7465 117.3939 52.9326 19.1784 177.8111 88 R 4.2540 7.3739 114.8765 56.8578 30.6085 177.2303 89 G 4.0528 8.7796 108.2191 45.8055 0.0000 174.9635 90 Q 4.0564 7.2679 118.5979 58.3914 29.0398 176.4189 91 G 4.0508 8.5382 105.1886 45.5102 0.0000 175.5232 92 L 4.3172 8.3960 122.7105 57.3009 41.2962 179.4366 93 G 3.7227 8.1308 104.7717 48.2023 0.0000 174.6133 94 H 4.5895 8.3106 120.9040 58.3996 30.1676 176.7361 95 Q 4.0343 8.5961 121.3368 58.6552 28.6616 177.3463 96 L 4.2864 7.8644 118.3823 55.4133 41.3979 177.9850 *98 E 4.2507 8.0322 122.0765 56.3603 31.3175 178.1782 99 R 3.8672 7.4971 117.0980 58.6335 29.9030 179.0303 100 A 3.9782 8.1897 121.2155 55.1268 18.4215 179.5461 101 L 4.0258 7.9136 117.0829 58.0106 41.7834 179.3844 102 Q 3.9245 8.0904 119.1528 59.1871 29.1387 178.1511 103 A 3.9462 8.1883 121.6895 55.0868 18.3848 179.5046 104 A 4.2338 8.5337 119.5870 55.3477 18.4094 179.3135 105 E 3.9220 8.5884 118.5598 59.5710 29.5038 179.2041 106 R 3.9670 7.7362 114.1454 58.4491 29.7914 177.9850 107 L 3.7725 7.2953 118.3869 55.4098 43.2006 177.2663 108 W 5.1830 8.3844 118.2720 54.3341 30.1448 174.5744 109 L 4.1366 7.6814 118.1350 56.3067 42.1761 176.5548 110 D 4.5141 8.8789 123.1739 54.9934 38.6559 173.5780 111 T 4.3070 8.0468 117.5464 61.7590 69.1878 173.0027 112 P 4.6459 0.0000 0.0000 63.3927 32.7207 175.0092 113 V 4.8890 8.5682 121.2452 61.4577 34.0363 173.7760 114 Y 5.3820 10.1368 128.6264 56.0159 42.0781 173.9967 115 L 4.6683 7.2692 122.7849 54.6274 43.5889 175.2863 116 S 4.4689 8.3879 116.0875 56.8071 62.5139 173.0661 117 A 4.1611 8.2533 129.3163 51.0453 20.0310 176.3338 118 Q 3.7342 8.8254 119.8387 56.4819 28.9779 176.3175 119 A 3.9752 8.6349 127.3690 55.0840 18.8834 179.2718 120 H 4.2632 8.0929 106.5225 56.5018 28.9986 176.2477 121 L 4.5824 8.3346 120.1426 53.8845 40.9103 177.1178 122 Q 4.0972 8.4398 120.8260 60.1496 29.0070 177.7191 123 A 3.9688 8.0775 121.3113 55.8350 18.1296 178.2806 124 Y 4.1256 8.1454 115.5159 61.8616 39.0097 178.0785 125 Y 4.4252 7.9525 116.4560 60.4633 37.9089 178.5946 126 G 4.2825 8.7444 107.6674 48.1374 0.0000 175.5649 127 R 4.0669 7.4435 115.4181 56.9993 29.6547 176.6364 128 Y 4.4452 8.6975 115.2712 57.7159 38.4279 177.3925 129 G 3.9678 8.5626 109.8874 44.8503 0.0000 174.4691 130 F 4.4635 8.1550 118.7103 57.5086 40.2422 174.5285 131 V 4.8121 8.3533 120.9671 60.7634 34.7885 174.8974 132 A 4.4297 8.8065 128.7799 52.3813 18.3873 177.6890 133 V 4.3037 8.7548 115.3088 61.1173 33.2775 175.0315 134 T 4.7267 7.6898 108.6089 59.7417 71.7047 172.5668 135 E 4.5630 8.3644 120.8646 54.5459 31.2701 176.1677 136 V 4.1713 8.1183 120.5600 63.5793 32.2075 174.5867 137 Y 5.0261 8.9142 124.6013 55.5586 41.9982 173.5400 138 L 4.8155 8.6236 120.6153 53.6431 43.3130 175.8419 139 E 4.4452 8.8780 124.7548 55.0663 31.3743 175.3723 140 D 4.5365 9.4420 127.9913 55.8531 38.2859 174.0400 141 D 4.4710 8.3719 113.0308 54.8996 38.9143 173.6439 142 I 4.6343 7.4563 120.9344 58.3559 40.1713 173.3750 143 P 4.6490 0.0000 0.0000 63.6319 32.2288 175.0560 144 H 5.2014 9.2304 119.8272 54.2223 34.0314 172.1074 145 I 4.8315 8.9285 119.9349 59.6841 41.6251 174.8978 146 G 4.6054 9.7579 117.3677 45.3672 0.0000 172.3607 *148 R 5.0025 8.3041 116.0283 56.4342 31.4671 174.2206 149 R 4.6147 8.4611 114.7434 55.6356 33.4643 175.1407 150 A 3.9615 8.3257 121.2047 52.7619 18.6190 177.5425 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 3 L 8.18 4.49 0.00 1.76 1.83 1.09 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.96 4.71 0.00 2.73 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 5 W 8.54 5.19 0.00 3.19 3.20 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 0.00 6 T 8.40 4.46 4.37 0.00 0.00 0.00 0.00 0.00 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 7 C 9.10 4.96 0.00 3.08 2.96 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 0.00 0.00 0.00 0.00 8 K 8.99 4.69 0.00 1.90 1.79 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.47 7.81 9 H 8.69 4.38 0.00 3.02 3.28 0.00 5.71 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 10 H 8.59 3.87 0.00 3.53 3.79 0.00 5.51 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.86 4.19 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 12 D 8.53 4.74 0.00 2.75 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 13 L 7.38 4.39 0.00 1.74 1.67 0.93 0.91 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 14 T 8.50 4.56 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 1.19 0.00 0.00 15 L 8.34 4.05 0.00 1.71 1.77 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.03 4.13 0.00 2.14 2.11 0.00 1.41 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.47 1.59 7.81 17 E 8.09 4.30 0.00 2.32 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 0.00 2.59 2.33 0.00 18 L 8.07 3.94 0.00 1.92 1.90 0.97 0.66 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 19 Y 8.54 3.98 0.00 3.17 3.17 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 20 A 8.82 3.96 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 21 L 8.11 3.54 0.00 1.09 1.71 0.64 0.95 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 22 L 7.77 3.84 0.00 1.52 1.61 0.88 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 7.81 3.70 0.00 1.77 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.81 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 24 L 7.85 3.79 0.00 1.64 1.57 0.77 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.93 4.02 0.00 1.91 2.59 0.00 2.91 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.66 0.00 26 T 7.84 3.93 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 1.18 0.00 0.00 27 E 8.13 3.79 0.00 2.06 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 0.00 2.21 2.26 0.00 28 V 7.40 3.74 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 0.53 0.00 0.00 0.72 0.00 0.00 29 F 8.14 4.39 0.00 3.49 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 30 V 7.72 4.38 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 1.23 0.00 0.00 1.05 0.00 0.00 31 V 9.20 3.74 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 0.81 0.00 0.00 0.94 0.00 0.00 32 E 8.42 4.21 0.00 2.04 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 2.36 2.22 0.00 33 Q 7.77 4.29 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.68 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 34 K 8.20 3.79 0.00 1.81 1.83 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.35 7.81 35 C 8.17 4.69 0.00 2.90 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 36 P 0.00 4.91 0.00 2.26 2.12 0.00 3.81 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 2.04 1.98 0.00 37 Y 7.70 4.80 0.00 3.09 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 38 Q 8.13 3.98 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.08 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 39 E 7.78 3.34 0.00 1.67 1.77 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 2.27 2.29 0.00 40 V 7.49 3.90 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 0.81 0.00 0.00 0.85 0.00 0.00 41 D 8.20 4.45 0.00 2.82 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 42 G 8.25 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 43 L 8.11 4.48 0.00 1.79 1.73 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.06 4.67 0.00 2.70 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 45 L 7.62 4.62 0.00 1.58 1.63 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 46 V 6.94 4.54 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 0.95 0.00 0.00 0.99 0.00 0.00 47 G 8.31 4.02 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 0.00 48 D 9.34 5.27 0.00 2.94 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 49 T 8.09 4.28 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 1.32 0.00 0.00 50 H 9.72 5.41 0.00 3.24 3.33 0.00 5.75 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 51 H 9.66 5.08 0.00 3.19 3.55 0.00 5.60 0.00 0.00 0.00 0.00 6.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.78 5.14 0.00 1.82 1.63 1.15 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 *54 A 8.28 4.07 -0.45 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 55 W 8.72 5.15 0.00 3.10 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 56 R 9.11 4.44 0.00 1.80 1.71 0.00 3.22 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 57 D 9.70 4.54 0.00 2.85 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 58 G 8.69 4.12 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 0.00 0.00 0.00 59 Q 7.89 4.53 0.00 2.24 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.88 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 60 L 7.77 3.47 0.00 0.54 1.05 0.66 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.33 4.41 0.00 1.43 1.56 0.86 0.79 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 62 A 7.34 5.14 1.15 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 0.00 0.00 63 Y 9.49 5.59 0.00 2.99 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 64 L 7.01 4.75 0.00 1.71 1.68 0.88 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 65 R 9.11 4.85 0.00 1.97 1.96 0.00 3.10 0.00 0.00 3.46 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 66 L 8.70 5.06 0.00 1.83 1.76 1.09 0.45 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 67 L 8.59 4.80 0.00 1.53 1.15 0.87 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.41 3.47 0.00 2.68 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 69 P 0.00 4.45 0.00 2.16 2.05 0.00 2.51 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.54 0.00 70 V 7.43 3.71 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 0.81 0.00 0.00 1.04 0.00 0.00 71 R 7.41 4.48 0.00 1.93 1.87 0.00 3.15 0.00 0.00 3.25 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 72 H 7.25 4.64 0.00 3.06 3.09 0.00 5.96 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.64 3.68 0.00 1.91 1.86 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 2.15 2.27 0.00 74 G 8.07 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 75 Q 7.52 4.66 0.00 2.37 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.92 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 76 V 8.70 3.78 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 0.86 0.00 0.00 0.84 0.00 0.00 77 V 8.29 4.81 1.93 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 1.04 0.00 0.00 0.94 0.00 0.00 78 I 8.72 4.53 1.78 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 1.19 0.73 0.81 0.00 0.00 79 G 9.28 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 80 R 8.62 3.85 0.00 2.21 2.39 0.00 3.25 0.00 0.00 2.77 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 81 V 8.04 4.17 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 0.92 0.00 0.00 0.97 0.00 0.00 82 V 9.02 4.65 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 1.03 0.00 0.00 0.64 0.00 0.00 83 S 8.33 5.05 0.00 3.81 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 84 S 9.21 3.99 0.00 3.77 3.70 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 85 S 9.01 3.97 0.00 3.82 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 86 A 7.90 3.99 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 87 A 7.75 4.30 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 88 R 7.37 4.25 0.00 1.85 1.85 0.00 3.13 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 89 G 8.78 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 90 Q 7.27 4.06 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 91 G 8.54 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 92 L 8.40 4.32 0.00 1.80 1.90 0.97 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.13 3.72 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 0.00 0.00 0.00 94 H 8.31 4.59 0.00 3.31 3.67 0.00 5.76 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.60 4.03 0.00 2.52 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.17 0.00 96 L 7.86 4.29 0.00 2.22 1.73 1.14 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 *98 E 8.03 4.25 0.00 2.07 1.85 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 2.23 2.36 0.00 99 R 7.50 3.87 0.00 1.67 1.70 0.00 2.21 0.00 0.00 2.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.24 0.00 100 A 8.19 3.98 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 0.00 101 L 7.91 4.03 0.00 1.88 1.78 1.09 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 8.09 3.92 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 103 A 8.19 3.95 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 0.00 104 A 8.53 4.23 1.56 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 0.00 0.00 105 E 8.59 3.92 0.00 2.13 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 0.00 2.31 2.34 0.00 106 R 7.74 3.97 0.00 1.96 1.99 0.00 3.01 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 107 L 7.30 3.77 0.00 0.49 0.13 0.34 0.11 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 0.00 108 W 8.38 5.18 0.00 3.41 2.96 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 0.00 0.00 0.00 0.00 109 L 7.68 4.14 0.00 1.70 1.64 0.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.88 4.51 0.00 2.91 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 0.00 111 T 8.05 4.31 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 1.18 0.00 0.00 112 P 0.00 4.65 0.00 2.13 2.19 0.00 3.66 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 2.08 1.98 0.00 113 V 8.57 4.89 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 1.18 0.00 0.00 1.03 0.00 0.00 114 Y 10.14 5.38 0.00 3.03 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 0.00 115 L 7.27 4.67 0.00 1.34 1.33 -0.07 -0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 116 S 8.39 4.47 0.00 4.02 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 0.00 117 A 8.25 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 Q 8.83 3.73 0.00 1.78 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 2.03 2.26 0.00 119 A 8.63 3.98 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 0.00 120 H 8.09 4.26 0.00 3.22 3.43 0.00 5.76 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 8.33 4.58 0.00 1.74 1.76 1.06 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 122 Q 8.44 4.10 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 123 A 8.08 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.15 4.13 0.00 2.82 2.92 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 0.00 125 Y 7.95 4.43 0.00 3.19 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 0.00 126 G 8.74 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 0.00 0.00 0.00 0.00 127 R 7.44 4.07 0.00 1.54 1.64 0.00 3.18 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 128 Y 8.70 4.45 0.00 3.47 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 0.00 129 G 8.56 3.97 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 0.00 0.00 0.00 130 F 8.16 4.46 0.00 3.25 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 0.00 131 V 8.35 4.81 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 0.79 0.00 0.00 0.98 0.00 0.00 132 A 8.81 4.43 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 0.00 133 V 8.75 4.30 2.17 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 0.84 0.00 0.00 1.20 0.00 0.00 134 T 7.69 4.73 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 1.33 0.00 0.00 135 E 8.36 4.56 0.00 2.03 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 2.29 2.32 0.00 136 V 8.12 4.17 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 0.77 0.00 0.00 0.95 0.00 0.00 137 Y 8.91 5.03 0.00 3.06 2.98 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 0.00 138 L 8.62 4.82 0.00 1.58 1.68 0.90 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 0.00 139 E 8.88 4.45 0.00 1.71 1.52 0.00 0.00 0.00 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 2.38 0.00 140 D 9.44 4.54 0.00 2.69 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 0.00 141 D 8.37 4.47 0.00 2.80 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 0.00 142 I 7.46 4.63 2.00 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 1.26 0.98 0.90 0.00 0.00 143 P 0.00 4.65 0.00 2.05 2.15 0.00 3.61 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 144 H 9.23 5.20 0.00 2.23 2.58 0.00 5.80 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 I 8.93 4.83 1.85 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.56 0.90 0.00 0.00 146 G 9.76 4.61 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 0.00 0.00 0.00 *148 R 8.30 5.00 0.00 2.23 2.47 0.00 3.05 0.00 0.00 3.46 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 149 R 8.46 4.61 0.00 1.57 1.59 0.00 2.52 0.00 0.00 2.85 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 150 A 8.33 3.96 1.27 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.