NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2799 8.2644 123.5809 51.8907 19.4856 176.1538 2 K 4.0129 8.4504 116.6397 56.0544 32.9875 175.9620 3 L 4.2666 8.9842 125.0871 55.0429 43.1951 175.8743 4 E 4.9092 8.2128 120.3868 54.6788 33.9880 175.0036 5 T 4.0936 8.5207 112.8674 62.1132 69.5323 173.5744 6 V 4.3719 8.6216 127.2059 61.4045 33.6792 174.5522 7 T 5.0114 8.4436 117.2669 60.0479 70.8768 172.9442 8 L 4.5487 9.0852 128.0082 53.2570 43.3325 176.3299 9 G 4.2126 8.5166 110.1412 44.5671 0.0000 172.0724 10 N 4.9367 8.4828 116.1522 53.4335 35.4310 172.9307 11 I 4.4662 8.5887 120.9746 59.7460 41.5005 176.3685 12 G 4.2625 8.5625 106.9057 44.7699 0.0000 174.3682 13 K 3.7733 8.6457 119.4458 59.6240 31.7781 177.3834 14 D 4.4477 8.1481 114.4615 53.4494 39.9612 176.2263 15 G 3.9843 8.5695 111.3560 47.4044 0.0000 174.9973 16 K 4.4468 8.5892 119.6588 54.5937 33.2628 178.7691 17 Q 4.8864 8.4259 120.2954 55.3997 31.9880 174.6790 18 T 5.0991 8.2445 109.5873 59.9884 72.0761 172.7704 19 L 4.7427 9.1550 125.9973 53.2329 45.4375 175.1185 20 V 4.7745 8.3722 125.0968 61.3545 34.0392 173.7215 21 L 5.2328 9.2241 128.9289 53.2644 44.1254 175.5242 22 N 5.3859 9.0460 120.2951 50.4852 41.9269 172.4125 23 P 4.4968 0.0000 0.0000 62.9018 31.9337 176.3146 24 R 4.4989 8.9770 122.6605 55.7389 31.8528 176.8034 25 G 3.9738 8.6301 105.4557 45.3252 0.0000 172.7638 26 V 4.7032 7.7473 117.3075 60.5501 34.0454 174.3301 27 N 4.5414 8.7225 126.3575 52.4007 38.7013 173.8982 28 P 4.6334 0.0000 0.0000 65.4992 31.7201 177.8390 29 T 4.0805 8.0217 115.7723 65.9097 68.4616 174.5441 30 N 4.8892 7.9902 114.2205 51.0435 38.8057 174.0021 31 G 3.7494 8.5791 107.1382 46.9660 0.0000 174.1817 32 V 4.4515 7.9098 119.8104 60.7089 33.3068 175.0195 33 A 4.5418 9.0600 131.1725 52.0796 19.7722 176.2207 34 S 5.1475 8.8394 116.1641 56.8442 67.2987 173.3267 35 L 5.4835 9.0243 123.0168 53.4740 46.3656 175.3634 36 S 5.0189 8.3018 112.4464 57.4761 66.6824 173.8201 37 Q 5.2066 9.0422 123.5542 55.1482 29.4154 175.6129 38 A 4.1250 8.9196 128.8164 52.6972 17.5533 176.8066 39 G 3.9715 8.6016 109.2336 44.1943 0.0000 172.3463 40 A 4.0142 8.5838 122.3452 54.3007 18.6957 178.2588 41 V 4.3044 7.5195 116.4447 60.1603 33.2464 174.0564 42 P 4.6352 0.0000 0.0000 65.2286 30.9408 178.2992 43 A 4.0215 8.0174 119.8899 53.9834 18.3850 177.7006 44 L 4.5914 7.8097 114.5478 54.4562 41.9923 176.2014 45 E 4.3100 8.1222 120.0077 55.5775 30.4082 176.0437 46 K 4.3925 8.4294 122.5189 56.4778 33.6014 176.2248 47 R 5.2289 9.0050 122.4903 54.5754 34.9515 174.4533 48 V 5.1166 8.6759 119.6409 61.7163 35.4784 173.8657 49 T 5.2086 9.3215 117.1155 59.9609 72.3192 172.8602 50 V 5.1666 8.9137 123.1728 61.4152 35.5857 174.4945 51 S 4.8141 8.9042 120.8547 57.2157 66.5578 172.9722 52 V 4.7343 8.4229 124.8550 60.6000 31.7015 174.6458 53 S 4.2846 9.2932 124.4073 58.7624 62.8553 174.9578 54 Q 4.2734 8.9673 125.1459 56.8104 30.3408 175.8963 55 P 4.3656 0.0000 0.0000 62.4701 30.9903 179.0183 *61 N 4.7052 9.0012 126.3205 54.2854 40.0007 171.9211 62 Y 4.6493 9.0769 121.9412 57.0504 40.3974 174.8050 63 K 4.8778 8.4915 123.6159 54.9877 35.5878 174.8204 64 V 4.9071 8.8489 128.5430 61.4847 33.6688 174.2557 65 Q 5.1128 9.4669 129.1106 54.3148 32.3776 173.8791 66 V 5.0455 9.0934 125.9265 61.1391 34.8832 174.3152 67 K 5.2498 8.9681 125.6376 54.8528 36.6677 175.0933 68 I 5.0656 8.5428 122.0839 59.8007 41.8829 173.5072 69 Q 4.7988 9.0119 127.8276 54.1214 32.2490 174.2853 70 N 5.1161 8.7476 120.9504 50.6102 41.4477 172.2216 71 P 4.8173 0.0000 0.0000 62.7500 33.0014 175.8626 72 T 4.6401 8.9351 117.5802 61.8619 71.6758 172.8149 73 A 5.1417 8.6879 128.0203 50.5436 21.1710 175.3206 74 C 4.8975 8.7226 120.4987 57.9357 35.1916 173.4556 75 T 4.5487 8.2751 119.2826 62.6274 69.9324 174.8406 *80 C 4.6044 8.3546 119.5783 59.4028 30.0017 173.9449 81 D 4.9849 7.6112 117.4086 51.4822 43.2366 174.3224 82 P 4.7113 0.0000 0.0000 62.9241 32.5548 175.5330 83 S 4.6693 8.4998 114.1878 56.8395 66.8674 173.4599 84 V 4.3812 8.3514 122.4822 62.6275 31.1015 175.8582 85 T 4.1342 8.8720 120.3174 64.4195 69.3614 174.7241 86 R 4.6438 7.2384 115.4933 55.4316 32.3701 173.7857 87 Q 4.9523 8.6007 117.3762 54.1387 33.0812 174.2825 88 A 4.7754 8.6173 123.5413 50.5652 21.3801 175.5956 89 Y 5.3530 8.6962 118.1233 56.2675 42.2560 175.1854 90 A 4.6633 8.7448 122.5663 50.6618 22.7612 174.5444 91 D 5.2721 8.8770 122.3261 52.4610 43.7397 175.1434 92 V 4.5462 9.0159 125.8515 61.2720 35.0467 174.2243 93 T 5.1213 7.9237 115.3746 60.1059 72.0436 172.8697 94 F 4.7466 9.5361 122.1910 55.6582 42.8889 173.9066 95 S 5.0884 8.0036 116.2867 56.5024 65.0658 173.0620 96 F 5.2445 8.8960 124.6994 56.0780 43.5228 174.5086 97 T 5.2622 9.0731 113.0134 60.3393 70.4805 175.2085 98 Q 4.6228 8.6540 117.0555 57.3746 28.1109 175.9958 99 Y 4.8119 7.5375 112.6146 57.9245 39.0022 175.7501 100 S 5.0118 8.4697 115.5736 57.7728 64.0787 173.2329 101 T 4.6970 7.9494 110.0566 59.4038 72.9881 173.3835 102 D 4.1955 8.7511 119.3164 57.6396 40.5521 178.9391 103 E 3.9407 8.0227 117.7783 59.9273 29.8693 179.4440 104 E 3.9570 7.9209 117.8690 59.5403 29.4936 179.5620 105 R 3.5143 7.8904 117.3906 59.1236 30.1178 178.6894 106 A 3.9020 7.9783 120.6354 55.4740 18.2666 178.9452 107 F 3.8539 8.3420 120.1230 60.8233 39.2797 177.1772 108 V 3.8485 8.1531 117.3402 66.3763 31.3585 177.6547 109 R 3.9439 8.3142 118.5458 59.9317 29.5195 178.3409 110 T 3.7804 8.3070 109.5629 64.7209 68.6666 175.5638 111 E 3.8052 8.6070 122.7221 58.8433 29.5441 178.3579 112 L 3.9256 8.2218 120.0800 58.2672 41.9023 178.4954 113 A 3.9798 7.7205 118.6894 55.3691 18.5352 178.8925 114 A 4.0776 8.4015 119.1543 55.4804 18.4013 179.7059 115 L 3.9231 8.4701 117.5170 58.1049 41.5556 179.7893 116 L 4.0578 8.1459 117.1661 56.7980 41.5632 178.3571 117 A 4.4552 7.8079 119.4157 51.6764 20.1604 177.3856 118 S 4.1486 7.6978 113.8954 57.4415 63.2407 172.8742 119 P 4.2212 0.0000 0.0000 66.2168 30.4908 177.9660 120 L 3.8974 8.0179 119.4131 58.2332 41.7470 178.9841 121 L 4.0773 7.8628 118.1905 57.4321 41.7652 179.0777 122 I 3.6872 7.9133 113.2653 64.1900 37.2937 177.8548 123 D 4.2996 8.5776 119.9301 56.8589 41.0528 178.0338 124 A 4.7014 7.6086 122.7762 55.2824 18.3715 178.8870 125 I 3.9679 8.2050 118.8290 63.2189 37.1307 177.7699 126 D 4.3774 8.2861 121.3102 57.4345 41.0680 178.2589 127 Q 4.4119 8.0331 113.5497 54.6176 29.7221 175.2592 128 L 4.1805 7.5068 116.9419 55.0419 39.8630 175.3950 129 N 4.8351 7.7749 116.5839 50.7253 40.2924 171.8921 130 P 4.6494 0.0000 0.0000 62.8006 32.0428 175.4446 131 A 4.8043 8.2605 122.0586 51.1648 20.7042 176.9513 132 Y 4.4044 7.8619 117.8223 57.4347 37.8391 174.8088 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 A 8.26 4.28 1.24 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 0.00 0.00 2 K 8.45 4.01 0.00 1.81 1.72 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.52 7.81 3 L 8.98 4.27 0.00 1.66 1.59 0.93 0.84 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 4 E 8.21 4.91 0.00 1.79 1.79 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 2.36 2.25 0.00 5 T 8.52 4.09 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 1.28 0.00 0.00 6 V 8.62 4.37 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 0.97 0.00 0.00 0.97 0.00 0.00 7 T 8.44 5.01 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 8 L 9.09 4.55 0.00 1.59 1.62 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.52 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 10 N 8.48 4.94 0.00 2.88 2.96 0.00 0.00 7.07 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 11 I 8.59 4.47 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.83 0.91 0.00 0.00 12 G 8.56 4.26 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 0.00 13 K 8.65 3.77 0.00 1.72 1.88 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.46 7.81 14 D 8.15 4.45 0.00 2.81 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 15 G 8.57 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 16 K 8.59 4.45 0.00 1.51 1.64 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.27 1.25 7.81 17 Q 8.43 4.89 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 18 T 8.24 5.10 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 1.21 0.00 0.00 19 L 9.16 4.74 0.00 1.70 1.51 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.37 4.77 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 0.96 0.00 0.00 0.93 0.00 0.00 21 L 9.22 5.23 0.00 1.59 1.55 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 22 N 9.05 5.39 0.00 2.56 2.68 0.00 0.00 6.84 8.04 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 23 P 0.00 4.50 0.00 1.93 2.00 0.00 3.62 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 2.03 2.27 0.00 24 R 8.98 4.50 0.00 1.72 1.88 0.00 3.34 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 25 G 8.63 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 26 V 7.75 4.70 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 0.89 0.00 0.00 0.94 0.00 0.00 27 N 8.72 4.54 0.00 2.81 2.85 0.00 0.00 6.59 7.65 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 28 P 0.00 4.63 0.00 2.22 2.18 0.00 3.83 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 29 T 8.02 4.08 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 30 N 7.99 4.89 0.00 2.79 2.85 0.00 0.00 6.99 6.98 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 31 G 8.58 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 4.45 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 0.96 0.00 0.00 1.00 0.00 0.00 33 A 9.06 4.54 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 34 S 8.84 5.15 0.00 3.78 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 35 L 9.02 5.48 0.00 1.51 1.51 0.93 0.71 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 36 S 8.30 5.02 0.00 3.94 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 37 Q 9.04 5.21 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.19 0.00 0.00 0.00 0.00 0.00 2.36 2.15 0.00 38 A 8.92 4.13 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 39 G 8.60 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 40 A 8.58 4.01 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 41 V 7.52 4.30 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 1.12 0.00 0.00 0.93 0.00 0.00 42 P 0.00 4.64 0.00 2.25 2.31 0.00 3.92 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.95 0.00 43 A 8.02 4.02 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 44 L 7.81 4.59 0.00 1.73 1.66 0.91 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.12 4.31 0.00 2.09 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 2.45 2.50 0.00 46 K 8.43 4.39 0.00 1.70 1.90 0.00 1.59 0.00 0.00 1.80 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.45 7.81 47 R 9.00 5.23 0.00 1.70 1.84 0.00 3.09 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 48 V 8.68 5.12 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 0.98 0.00 0.00 0.94 0.00 0.00 49 T 9.32 5.21 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 1.24 0.00 0.00 50 V 8.91 5.17 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 1.10 0.00 0.00 0.97 0.00 0.00 51 S 8.90 4.81 0.00 3.96 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 52 V 8.42 4.73 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 0.88 0.00 0.00 0.98 0.00 0.00 53 S 9.29 4.28 0.00 4.04 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 54 Q 8.97 4.27 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 55 P 0.00 4.37 0.00 1.99 1.01 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.04 0.00 *61 N 9.00 4.71 0.00 2.62 2.78 0.00 0.00 6.80 7.48 0.00 0.00 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 Y 9.08 4.65 0.00 3.07 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 63 K 8.49 4.88 0.00 1.97 1.67 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.75 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.37 7.81 64 V 8.85 4.91 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.12 0.00 0.00 65 Q 9.47 5.11 0.00 2.13 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.27 2.50 0.00 66 V 9.09 5.05 2.20 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 1.09 0.00 0.00 1.09 0.00 0.00 67 K 8.97 5.25 0.00 1.76 1.69 0.00 1.72 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.38 7.81 68 I 8.54 5.07 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.47 1.00 0.00 0.00 69 Q 9.01 4.80 0.00 1.97 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.52 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 70 N 8.75 5.12 0.00 2.50 2.65 0.00 0.00 6.42 7.55 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 71 P 0.00 4.82 0.00 2.03 1.98 0.00 3.64 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.08 0.00 72 T 8.94 4.64 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 1.20 0.00 0.00 73 A 8.69 5.14 1.20 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 0.00 0.00 74 C 8.72 4.90 0.00 2.99 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 75 T 8.28 4.55 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 *80 C 8.35 4.60 0.00 2.99 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 81 D 7.61 4.98 0.00 2.62 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.71 0.00 1.93 1.99 0.00 3.64 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 83 S 8.50 4.67 0.00 3.81 3.89 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 84 V 8.35 4.38 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 0.85 0.00 0.00 0.92 0.00 0.00 85 T 8.87 4.13 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 86 R 7.24 4.64 0.00 1.87 2.03 0.00 2.91 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 87 Q 8.60 4.95 0.00 1.47 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.75 0.00 0.00 0.00 0.00 0.00 2.12 2.27 0.00 88 A 8.62 4.78 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 89 Y 8.70 5.35 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 90 A 8.74 4.66 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 91 D 8.88 5.27 0.00 2.66 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 0.00 0.00 0.00 92 V 9.02 4.55 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 0.54 0.00 0.00 0.91 0.00 0.00 93 T 7.92 5.12 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 1.16 0.00 0.00 94 F 9.54 4.75 0.00 2.95 2.60 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 95 S 8.00 5.09 0.00 3.71 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.90 5.24 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 97 T 9.07 5.26 4.38 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 1.34 0.00 0.00 98 Q 8.65 4.62 0.00 2.06 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.16 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 99 Y 7.54 4.81 0.00 3.08 2.93 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 0.00 100 S 8.47 5.01 0.00 3.97 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 0.00 101 T 7.95 4.70 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 1.23 0.00 0.00 102 D 8.75 4.20 0.00 2.74 2.67 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 0.00 0.00 0.00 103 E 8.02 3.94 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 2.43 2.55 0.00 104 E 7.92 3.96 0.00 2.09 2.03 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 2.30 2.34 0.00 105 R 7.89 3.51 0.00 1.49 1.41 0.00 2.64 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 106 A 7.98 3.90 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 107 F 8.34 3.85 0.00 3.30 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 0.00 108 V 8.15 3.85 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 1.39 0.00 0.00 1.35 0.00 0.00 109 R 8.31 3.94 0.00 1.83 2.05 0.00 3.28 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 110 T 8.31 3.78 4.09 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 1.15 0.00 0.00 111 E 8.61 3.81 0.00 1.88 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 2.36 2.33 0.00 112 L 8.22 3.93 0.00 1.93 2.00 0.96 1.70 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 0.00 113 A 7.72 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.40 4.08 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.47 3.92 0.00 1.95 1.75 0.95 0.61 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 0.00 116 L 8.15 4.06 0.00 1.80 1.75 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 117 A 7.81 4.46 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 0.00 118 S 7.70 4.15 0.00 3.87 3.96 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 0.00 119 P 0.00 4.22 0.00 2.29 2.32 0.00 3.77 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 2.08 2.04 0.00 120 L 8.02 3.90 0.00 1.68 1.73 0.92 0.64 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 0.00 121 L 7.86 4.08 0.00 2.03 1.70 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 122 I 7.91 3.69 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.82 0.93 0.00 0.00 123 D 8.58 4.30 0.00 2.89 2.86 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 0.00 124 A 7.61 4.70 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 0.00 125 I 8.21 3.97 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 1.53 0.72 0.92 0.00 0.00 126 D 8.29 4.38 0.00 2.83 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 0.00 127 Q 8.03 4.41 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 128 L 7.51 4.18 0.00 1.71 1.68 0.98 0.78 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 0.00 129 N 7.77 4.84 0.00 2.82 2.87 0.00 0.00 7.02 8.81 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 0.00 130 P 0.00 4.65 0.00 2.27 2.07 0.00 3.83 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 131 A 8.26 4.80 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 0.00 132 Y 7.86 4.40 0.00 3.09 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 * Residues marked with a * may have inaccurate shift predictions.