NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6465 8.4201 117.7832 51.8911 39.6582 174.2793 0 A 3.8416 8.3473 121.6079 51.7819 19.4049 175.8788 2 S 3.0972 8.5934 113.1248 57.2158 67.8191 171.5469 3 Q 2.8933 7.8666 120.8164 57.3227 28.7381 178.6354 4 K 3.8396 7.6864 118.2467 59.4689 31.7044 178.4266 5 L 3.9929 7.4788 119.5451 58.6378 42.1824 178.4782 6 Y 4.8201 7.9383 116.3749 59.8496 38.6957 175.6918 7 N 5.1014 7.6799 118.0924 51.4826 37.6884 173.7943 *9 K 4.2037 7.7133 119.2860 55.5335 34.6976 175.2184 10 F 4.3786 9.2047 126.5703 61.6920 39.2371 177.5056 11 A 3.6838 8.0874 119.1215 55.0633 18.3382 179.1758 12 A 3.8423 7.8901 118.7485 55.2670 18.5532 179.7812 13 V 3.2507 7.3766 116.1194 66.2627 31.6367 177.6651 14 Y 3.9349 7.8515 119.5699 60.6138 38.4558 177.8632 15 L 3.8689 8.1687 120.0523 57.5354 41.6202 179.3504 16 A 3.8849 7.9261 120.9443 54.8098 18.2956 179.5679 17 L 3.8080 7.5197 117.0498 58.0756 41.7227 179.7222 18 I 3.5123 7.3225 119.2975 64.3266 36.9224 178.2977 19 A 3.9660 8.0929 121.6316 54.9962 18.2996 179.6529 20 K 3.7958 7.9228 116.9762 59.7748 32.1821 179.7377 21 V 3.6917 7.6411 118.1045 66.0540 31.4601 177.9448 22 E 4.2360 8.5250 120.1357 58.9508 29.0625 179.4919 23 R 4.0106 8.1623 117.4197 58.2807 30.0225 178.1422 24 K 4.5444 7.3255 115.3482 55.8164 32.7252 177.3950 25 G 3.8767 8.1718 107.2769 45.4197 0.0000 174.6715 26 G 3.9746 7.9252 109.4462 44.3927 0.0000 172.6270 27 K 4.6526 8.1647 116.7835 53.8248 35.3848 177.2197 28 A 3.8796 8.7348 124.5864 55.5298 18.2128 179.6037 29 E 3.9158 8.2223 117.0096 59.7438 29.5998 179.1670 30 S 4.3399 8.0614 115.0194 61.3924 62.8112 176.8522 31 V 3.6549 7.6734 120.4920 66.3662 31.3267 177.4934 32 H 4.9229 7.9356 117.0335 58.5704 28.5966 177.7511 33 Q 4.1248 8.3420 119.5817 59.3435 28.6613 179.4784 34 V 3.9393 8.0985 113.2526 64.4595 31.5576 178.9667 35 T 4.1599 8.4551 115.8750 66.7326 68.3671 176.4759 36 S 4.5759 8.5501 116.7549 60.5946 62.1764 175.8867 37 W 4.2321 8.2531 129.5286 60.5219 30.7538 177.3272 38 L 3.7729 8.4589 120.3270 58.0649 41.6448 178.4916 39 T 3.5032 8.1290 108.5957 61.2921 69.2106 176.5101 40 G 3.8181 8.0505 109.4986 45.1456 0.0000 173.4827 41 Y 4.1717 7.1015 117.9440 57.8047 38.6371 175.8134 42 E 4.2957 8.9755 123.6538 56.0098 31.5698 178.4527 43 V 3.6723 8.5552 121.6710 66.5482 31.4880 178.7082 44 S 4.1302 8.0560 113.2417 61.3148 62.9695 176.0966 45 D 4.2483 7.9220 122.0742 57.1421 40.4443 178.5610 46 V 3.3050 7.3819 117.2166 66.0773 31.9407 177.7646 47 L 4.1091 8.0517 118.4259 57.6840 41.4201 179.3411 48 A 4.0232 8.1376 120.8214 55.3459 18.4075 179.4186 49 C 4.1134 7.8895 114.4068 62.4268 27.8011 176.1356 50 L 4.2719 7.6844 119.7042 56.8795 41.1142 177.2026 51 D 4.8357 7.7700 116.5712 53.6883 41.1518 175.5900 52 R 4.7643 7.5891 115.2432 54.4947 33.1007 174.9995 53 D 4.8931 8.5101 118.2272 54.0819 41.1599 177.4090 54 V 3.7684 7.7379 119.7283 62.3748 31.8309 175.8064 55 T 4.7001 8.3503 112.4775 61.2995 71.2285 175.1217 56 Y 4.6900 8.9595 122.8095 61.1672 38.7792 178.7744 57 G 3.6804 8.6313 106.6592 48.1225 0.0000 175.5123 58 D 4.4711 8.5142 121.5464 56.5713 40.5239 178.5049 59 F 3.9064 8.2737 120.8567 61.5244 39.5328 176.9742 60 F 4.0586 8.3198 116.8524 60.5488 38.4848 177.9781 61 R 4.0138 8.4285 117.3084 58.4566 29.8371 178.0795 62 Q 4.3786 7.3566 114.5213 54.1490 29.3731 175.4961 63 A 2.5800 6.7356 124.2305 51.4610 18.6011 176.8804 64 P 4.0219 0.0000 0.0000 65.7087 31.6522 175.9022 65 Y 4.1715 7.0560 117.5430 56.6285 40.5051 173.1108 66 Y 4.3424 8.0918 123.8569 57.3410 39.0970 176.1002 67 V 3.7203 8.2525 124.3580 60.8870 32.1952 175.6262 68 P 4.2676 0.0000 0.0000 65.7583 31.2679 178.1003 69 E 4.3642 8.0487 115.3450 57.5869 29.5369 178.6624 70 R 4.0978 7.8873 117.1289 58.7834 29.3100 178.7048 71 I 3.7763 7.3694 119.9944 63.9217 37.1221 177.3261 72 A 4.5425 7.8060 119.8326 52.7532 19.3370 178.4614 73 I 3.9017 7.4158 119.0125 60.5977 35.1362 175.1290 74 T 4.6225 8.2183 114.6902 59.3074 71.8450 173.1490 75 G 3.8254 9.2149 106.3020 44.3332 0.0000 172.4647 76 K 4.9900 8.0847 117.2470 55.0970 34.0866 175.7743 77 I 4.2866 8.5558 120.1512 61.4138 41.0887 173.8343 78 C 4.3087 9.9373 121.3844 60.6054 25.6954 174.5675 79 G 3.9989 8.8595 107.1828 45.2674 0.0000 174.2969 80 V 4.4642 7.7723 112.1635 59.1362 35.6659 174.5903 81 R 4.6151 8.2985 121.9316 55.5699 30.7100 177.1579 82 I 3.7227 8.8984 127.8101 64.5063 37.2047 178.3405 83 E 4.1083 8.1986 115.7241 58.3409 29.4797 177.0259 84 E 4.4469 7.8117 117.9043 55.9973 29.9541 175.8166 85 I 3.9626 7.5560 121.7266 61.0926 37.4238 175.8821 86 D 4.3650 8.7793 126.2527 57.1312 40.9936 176.4904 87 D 4.4739 7.9645 119.2302 53.1991 41.3001 173.9735 88 P 4.3039 0.0000 0.0000 65.6677 31.8231 178.0257 89 L 4.1357 7.8454 118.9879 55.3991 41.6546 178.1176 *91 Q 4.2278 8.2110 119.8418 55.6521 30.8838 176.9926 92 E 3.9953 7.8315 117.2491 59.3285 29.3742 179.3610 93 I 2.9470 7.3460 119.7315 64.3453 37.1789 178.7972 94 R 4.2236 7.8846 118.2170 59.0310 29.9281 179.1517 95 R 3.9916 8.0796 118.2743 59.0858 29.9929 178.6750 96 L 4.2144 8.2290 120.1873 58.4412 42.0596 178.6732 97 D 4.4413 8.3344 118.8349 57.3106 40.7302 178.8094 98 K 3.9008 8.2586 120.0189 59.5378 32.1836 178.8829 99 L 4.4106 8.1444 119.3554 58.0231 41.4903 179.7485 100 V 3.7484 8.2991 118.4161 65.7673 31.4651 177.5389 101 D 4.2561 8.3945 118.3348 57.0827 41.0026 178.1563 102 W 4.4694 8.0671 119.3898 59.9951 29.0872 178.4219 103 L 4.3339 8.2924 119.5208 57.3827 40.8856 179.5517 104 A 4.0814 8.1797 119.5407 54.4500 18.3159 178.7643 105 K 4.3977 7.7902 115.1089 56.4162 32.3798 177.6378 106 G 4.0736 8.1118 107.9164 44.9815 0.0000 174.4884 107 K 4.3676 8.1915 120.0538 56.1246 32.9533 177.0597 108 T 4.3958 8.7879 113.7525 60.9525 71.1704 176.2222 109 S 4.1275 8.4431 116.2108 61.4406 62.8890 176.0987 110 Q 3.8536 8.0412 122.6765 59.2684 28.7847 178.3811 111 Q 3.8361 8.0631 118.8642 58.7063 28.8225 179.0034 112 V 3.2503 7.7081 119.2192 65.9205 31.5554 178.0651 113 L 3.2965 7.7662 118.8302 57.6889 41.1604 179.4380 114 E 3.8634 8.0262 117.6489 59.0925 29.3599 178.9647 115 K 3.6600 7.4127 119.1154 58.7636 32.1928 176.9436 116 Y 4.6532 6.8508 112.9246 57.9822 39.5857 175.7222 117 E 4.3663 8.4143 120.9156 55.8325 29.9433 176.1373 118 K 4.5586 8.6113 123.2418 54.7772 34.4451 175.2641 119 H 5.0794 8.2919 119.6565 53.4929 31.4895 174.4932 120 K 4.1786 8.6460 120.3342 56.9590 31.8331 177.0505 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 -1 N 8.42 4.65 0.00 2.76 2.76 0.00 0.00 6.68 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 A 8.35 3.84 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 2 S 8.59 3.10 0.00 4.00 4.33 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 3 Q 7.87 2.89 0.00 1.93 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.87 0.00 0.00 0.00 0.00 0.00 1.99 2.19 0.00 4 K 7.69 3.84 0.00 1.70 1.85 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.41 7.81 5 L 7.48 3.99 0.00 1.67 1.81 0.85 1.13 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 6 Y 7.94 4.82 0.00 3.17 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 7 N 7.68 5.10 0.00 2.76 2.85 0.00 0.00 6.99 8.79 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 *9 K 7.71 4.20 0.00 1.83 1.86 0.00 1.89 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.48 1.49 7.81 10 F 9.20 4.38 0.00 3.42 3.26 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 11 A 8.09 3.68 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 12 A 7.89 3.84 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 13 V 7.38 3.25 1.50 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 -0.18 0.00 0.00 0.78 0.00 0.00 14 Y 7.85 3.93 0.00 1.98 2.24 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 15 L 8.17 3.87 0.00 1.66 1.63 0.93 0.80 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 16 A 7.93 3.88 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 17 L 7.52 3.81 0.00 1.61 1.58 1.12 0.89 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 18 I 7.32 3.51 1.83 0.00 0.00 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 1.21 0.02 0.83 0.00 0.00 19 A 8.09 3.97 1.30 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 20 K 7.92 3.80 0.00 2.00 1.85 0.00 1.67 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.51 7.81 21 V 7.64 3.69 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 1.03 0.00 0.00 0.92 0.00 0.00 22 E 8.52 4.24 0.00 1.97 1.96 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 2.46 2.33 0.00 23 R 8.16 4.01 0.00 1.96 1.98 0.00 3.12 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 24 K 7.33 4.54 0.00 1.77 1.87 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.56 7.81 25 G 8.17 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 26 G 7.93 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 27 K 8.16 4.65 0.00 1.78 1.67 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.39 7.81 28 A 8.73 3.88 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 29 E 8.22 3.92 0.00 2.12 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 2.43 2.53 0.00 30 S 8.06 4.34 0.00 4.05 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 31 V 7.67 3.65 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 0.94 0.00 0.00 0.87 0.00 0.00 32 H 7.94 4.92 0.00 3.49 3.45 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.34 4.12 0.00 2.35 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.59 0.00 34 V 8.10 3.94 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 0.95 0.00 0.00 1.19 0.00 0.00 35 T 8.46 4.16 4.69 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 1.52 0.00 0.00 36 S 8.55 4.58 0.00 4.06 4.22 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 37 W 8.25 4.23 0.00 3.45 3.55 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 38 L 8.46 3.77 0.00 2.13 2.08 1.04 0.92 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 39 T 8.13 3.50 3.55 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 1.09 0.00 0.00 40 G 8.05 3.82 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 0.00 0.00 0.00 41 Y 7.10 4.17 0.00 2.90 2.68 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 0.00 0.00 0.00 0.00 42 E 8.98 4.30 0.00 2.12 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 0.00 2.33 2.46 0.00 43 V 8.56 3.67 2.13 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 1.13 0.00 0.00 1.03 0.00 0.00 44 S 8.06 4.13 0.00 4.08 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 45 D 7.92 4.25 0.00 3.01 2.68 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 0.00 0.00 0.00 0.00 46 V 7.38 3.30 2.18 0.00 0.00 0.00 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 1.03 0.00 0.00 47 L 8.05 4.11 0.00 1.83 1.69 0.90 0.81 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 48 A 8.14 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 49 C 7.89 4.11 0.00 2.73 2.45 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 50 L 7.68 4.27 0.00 1.84 1.80 1.03 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 51 D 7.77 4.84 0.00 2.64 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 52 R 7.59 4.76 0.00 1.98 1.80 0.00 3.17 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 53 D 8.51 4.89 0.00 2.70 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 54 V 7.74 3.77 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 0.95 0.00 0.00 0.98 0.00 0.00 55 T 8.35 4.70 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 56 Y 8.96 4.69 0.00 3.22 3.41 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 57 G 8.63 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.51 4.47 0.00 2.93 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 59 F 8.27 3.91 0.00 2.70 3.26 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 60 F 8.32 4.06 0.00 3.16 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.43 4.01 0.00 1.75 1.98 0.00 3.34 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 62 Q 7.36 4.38 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 63 A 6.74 2.58 0.28 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 64 P 0.00 4.02 0.00 1.99 1.95 0.00 2.80 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 1.70 1.49 0.00 65 Y 7.06 4.17 0.00 2.82 2.66 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 0.00 0.00 0.00 0.00 66 Y 8.09 4.34 0.00 2.77 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 67 V 8.25 3.72 1.63 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 -0.57 0.00 0.00 0.59 0.00 0.00 68 P 0.00 4.27 0.00 2.21 2.17 0.00 3.59 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.25 0.00 69 E 8.05 4.36 0.00 2.35 2.51 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 2.69 2.56 0.00 70 R 7.89 4.10 0.00 2.05 2.07 0.00 2.90 0.00 0.00 3.31 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 71 I 7.37 3.78 1.90 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 1.66 0.80 0.93 0.00 0.00 72 A 7.81 4.54 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.42 3.90 1.88 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 -0.03 0.16 0.85 0.00 0.00 74 T 8.22 4.62 4.57 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 75 G 9.21 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 76 K 8.08 4.99 0.00 1.73 1.71 0.00 1.95 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.34 7.81 77 I 8.56 4.29 1.85 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.17 0.98 0.00 0.00 78 C 9.94 4.31 0.00 3.10 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 79 G 8.86 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 0.00 0.00 0.00 80 V 7.77 4.46 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 0.69 0.00 0.00 1.00 0.00 0.00 81 R 8.30 4.62 0.00 1.85 1.81 0.00 3.54 0.00 0.00 3.51 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.66 0.00 82 I 8.90 3.72 1.90 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 1.37 0.39 0.95 0.00 0.00 83 E 8.20 4.11 0.00 2.09 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 0.00 2.29 2.30 0.00 84 E 7.81 4.45 0.00 2.12 2.01 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 2.27 2.26 0.00 85 I 7.56 3.96 1.94 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 1.30 0.76 1.00 0.00 0.00 86 D 8.78 4.37 0.00 2.67 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 87 D 7.96 4.47 0.00 2.69 2.66 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 0.00 0.00 0.00 0.00 88 P 0.00 4.30 0.00 2.16 2.22 0.00 3.75 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.91 0.00 89 L 7.85 4.14 0.00 1.54 1.50 0.83 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 *91 Q 8.21 4.23 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.54 6.68 0.00 0.00 0.00 0.00 0.00 2.28 2.53 0.00 92 E 7.83 4.00 0.00 1.96 2.19 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 2.28 1.82 0.00 93 I 7.35 2.95 1.74 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 0.15 -0.17 1.02 0.00 0.00 94 R 7.88 4.22 0.00 1.83 1.99 0.00 3.31 0.00 0.00 3.57 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 95 R 8.08 3.99 0.00 2.13 2.05 0.00 3.31 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 96 L 8.23 4.21 0.00 2.25 2.19 1.25 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.33 4.44 0.00 2.97 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 98 K 8.26 3.90 0.00 1.92 2.07 0.00 1.29 0.00 0.00 1.60 0.00 0.00 3.27 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.74 7.81 99 L 8.14 4.41 0.00 2.10 1.93 1.32 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.30 3.75 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 1.08 0.00 0.00 1.10 0.00 0.00 101 D 8.39 4.26 0.00 2.87 2.52 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 0.00 0.00 0.00 102 W 8.07 4.47 0.00 3.74 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 0.00 103 L 8.29 4.33 0.00 1.87 1.77 0.99 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.18 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 0.00 105 K 7.79 4.40 0.00 1.98 1.95 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.43 7.81 106 G 8.11 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 0.00 107 K 8.19 4.37 0.00 1.93 1.71 0.00 1.57 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.80 1.55 7.81 108 T 8.79 4.40 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 0.00 109 S 8.44 4.13 0.00 4.08 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 0.00 110 Q 8.04 3.85 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 111 Q 8.06 3.84 0.00 2.21 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 112 V 7.71 3.25 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 1.14 0.00 0.00 1.04 0.00 0.00 113 L 7.77 3.30 0.00 1.72 1.38 0.49 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.03 3.86 0.00 1.96 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 2.29 2.37 0.00 115 K 7.41 3.66 0.00 1.29 1.18 0.00 0.61 0.00 0.00 0.68 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.79 7.81 116 Y 6.85 4.65 0.00 3.06 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 0.00 117 E 8.41 4.37 0.00 2.04 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 0.00 2.71 2.57 0.00 118 K 8.61 4.56 0.00 1.75 1.72 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.65 1.43 7.81 119 H 8.29 5.08 0.00 3.14 3.18 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 K 8.65 4.18 0.00 1.77 1.75 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.47 7.81 * Residues marked with a * may have inaccurate shift predictions.