NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.2796 8.1844 120.6342 54.4630 43.7642 176.2121 2 R 4.2667 7.7539 117.4825 53.7049 31.2012 173.5020 3 P 4.7310 0.0000 0.0000 63.0542 33.8878 174.6856 4 R 5.2817 9.5587 122.3698 54.5461 32.9195 175.0915 5 V 4.7836 9.3015 123.9046 61.0249 34.2776 173.8798 6 L 4.9054 8.9448 130.3173 53.5384 44.3627 174.6386 7 L 5.0109 8.8580 127.6808 53.4330 44.9821 175.1821 8 V 4.7092 8.8884 127.7117 61.2151 32.7357 173.3425 9 E 5.0224 8.9977 126.5426 54.2477 32.8625 176.7139 10 D 4.4690 8.9773 123.8434 55.8777 40.0885 177.0610 11 S 4.2946 7.9044 118.5752 58.4489 60.4868 174.1701 *12 T 4.3740 8.0793 116.9973 63.2941 68.5846 174.4699 13 S 4.5389 7.7065 119.2013 61.7973 63.4653 176.0825 14 L 3.6169 7.6344 122.0539 57.3495 41.6939 178.8095 15 A 3.9255 7.5977 120.7038 55.1164 18.2435 179.4741 16 I 3.6205 7.4297 117.8766 64.1112 37.2292 178.2351 17 L 3.5971 7.1929 120.9194 58.1854 41.5671 178.6698 18 Y 4.6038 7.6150 116.6658 60.9079 37.5382 178.3623 19 K 4.1709 7.9972 119.0395 59.1459 31.9331 178.8599 20 Q 4.0494 8.1439 120.3944 59.1448 28.6955 177.6712 21 Y 4.5485 7.7852 117.0650 60.6512 38.2948 178.2600 22 V 4.3530 7.3383 110.0431 61.1916 32.0461 177.9806 23 K 3.9411 7.5627 120.3791 58.8981 31.9317 177.5589 24 D 4.8887 7.8344 116.6956 54.0176 41.5426 175.6856 25 E 4.4666 7.3619 117.7964 54.0326 31.4622 174.6732 26 P 4.5726 0.0000 0.0000 62.4475 31.4217 175.0180 27 Y 5.0753 6.6340 114.1241 56.7709 41.7990 174.5384 28 D 4.6579 9.0837 120.5686 53.5177 42.6309 175.2942 29 I 4.8499 7.9917 122.9536 59.2071 40.1007 174.4342 30 F 5.0573 9.1233 127.5072 55.8548 42.7037 173.5045 31 H 5.4241 8.8738 120.8585 54.5609 32.4171 172.9478 32 V 4.3899 8.5637 117.5447 59.8115 35.2740 176.0946 33 E 5.0758 8.9429 120.0857 56.2644 31.4118 176.2225 34 T 4.8054 7.3778 108.0389 59.2692 72.9941 175.1557 35 G 3.5730 9.2747 109.3691 47.8222 0.0000 176.3709 36 R 3.8561 8.3856 118.3867 59.0107 29.6060 178.6978 37 D 4.3487 7.9325 119.5593 56.7006 40.6857 178.5068 38 A 3.9004 7.7809 121.0266 55.2791 18.4620 179.4521 39 I 3.3621 7.4756 118.1417 64.8626 36.9777 178.7803 40 Q 3.9846 7.9461 118.4432 58.6544 28.4786 178.5353 41 F 3.9717 8.1570 121.9998 61.0847 38.9289 177.3851 42 I 3.8183 8.1208 119.6681 64.5909 36.7506 178.3696 43 E 4.1010 8.2462 118.1308 59.2388 29.2922 178.2597 44 R 4.1296 7.4736 118.0826 58.5430 30.4652 177.6380 45 S 3.8371 7.8793 116.5715 59.2324 63.5431 174.7106 46 K 3.8752 7.2483 117.6969 56.6428 29.1797 172.8107 47 P 4.6648 0.0000 0.0000 62.4952 32.8148 177.5248 48 Q 4.2716 8.9167 118.7265 58.5085 29.8646 176.1231 49 L 5.0075 7.7886 119.0482 53.4534 46.1698 174.7525 50 I 4.8628 8.9150 125.9743 59.6409 40.2164 174.7204 51 I 4.4932 8.9414 128.6991 60.0624 38.2739 174.2435 52 L 4.7971 8.8695 130.9060 53.1047 43.8696 174.9550 53 D 5.5857 8.3946 126.5386 53.4579 41.6949 176.3517 54 L 4.1629 8.6170 124.8071 56.8488 43.2265 176.4652 55 K 4.4152 8.1521 120.0115 54.8747 31.0911 175.2662 56 L 4.9146 7.8082 124.6873 52.0176 45.0901 176.3561 57 P 4.3797 0.0000 0.0000 64.6686 31.6325 176.7173 58 D 4.7523 7.3190 117.6872 54.1332 39.6116 175.3149 59 M 4.5685 7.2855 115.0354 54.3228 34.0061 173.4158 60 S 4.5960 8.6131 113.2012 57.6163 63.6005 175.4260 61 G 3.6800 8.7006 111.3015 47.8221 0.0000 175.5941 62 E 4.0061 8.3592 121.3394 59.5192 29.2280 178.6673 63 D 4.4064 7.5129 116.6330 57.1005 40.9554 178.6443 64 V 3.7724 7.7839 119.1239 65.7878 31.6401 177.7793 65 L 4.0181 7.9593 119.6530 58.4392 42.0413 178.5002 66 D 4.4584 8.5474 119.0533 57.1635 40.6930 178.6542 67 W 4.1423 8.1141 129.0339 60.2766 30.7160 178.3020 68 I 3.8770 7.9101 119.6207 64.4452 36.4621 177.9728 69 N 4.4097 7.9050 115.9275 56.1631 38.3802 177.3383 70 Q 4.0738 7.7298 118.4152 58.4876 28.9565 177.3493 71 N 4.5162 7.6101 114.0504 51.5636 39.9756 175.0155 72 D 4.3133 7.8156 118.9246 55.2823 38.3463 173.8249 73 I 4.1742 7.6271 118.3937 60.1216 38.5016 176.3590 74 P 4.6054 0.0000 0.0000 61.8806 29.5045 173.8456 75 T 4.8002 7.6519 115.4630 61.5218 72.4922 173.6807 76 S 4.3037 8.7292 123.6422 58.5000 64.3450 173.3996 77 V 4.8453 8.4643 124.1395 61.0462 33.9685 173.8458 78 I 4.8196 8.6104 122.0585 59.2651 40.0343 174.7090 79 I 4.6554 8.6818 126.6922 60.1823 39.3050 174.7736 80 A 4.8450 8.7940 127.2012 49.4365 21.8188 174.8871 81 T 4.9732 8.0350 115.1471 61.2425 71.3540 172.3577 82 A 4.7729 8.5769 126.5796 50.4612 21.1155 176.1587 83 H 3.8790 8.4927 116.7727 57.4369 28.0594 174.8521 84 G 4.3625 7.8648 107.1458 43.9010 0.0000 172.6524 85 S 4.6791 8.1646 118.3929 56.1728 66.8062 175.4959 86 V 3.3963 7.9748 119.8438 66.3140 31.2016 177.3377 87 D 4.2965 7.9841 118.0300 57.4697 40.6825 178.7742 88 L 3.9745 7.6082 118.5128 57.4247 41.5186 179.3830 89 A 2.8582 7.4387 120.7183 54.7011 18.1743 179.6004 90 V 3.4348 7.5988 116.7512 66.5350 31.6500 178.1124 91 N 4.3470 8.0855 115.8474 56.0668 38.3272 177.5651 92 L 4.0917 7.9361 120.6804 57.7541 41.7904 179.4338 93 I 4.0050 7.9070 121.2993 64.0041 36.7964 178.4983 94 Q 4.0647 8.0873 118.0857 58.7437 28.6344 178.3082 95 K 4.3064 7.5767 116.2838 56.5841 32.2484 177.5009 96 G 4.0519 7.8058 106.7879 44.7846 0.0000 174.3214 97 A 4.2837 8.1980 122.6219 52.2612 19.0403 178.0473 98 E 4.4585 9.3058 121.4580 56.9353 30.9503 174.9264 99 D 4.5798 7.5554 116.8079 53.9015 45.0162 174.1057 100 F 4.9333 8.6333 123.6742 56.6190 40.9743 173.3035 101 L 4.5002 9.3064 126.9276 53.6735 43.4575 175.2739 102 E 4.7330 8.4880 123.1419 54.1307 31.3795 175.6176 103 K 4.3765 8.6106 127.5095 55.7399 32.7371 175.3461 104 P 4.5806 0.0000 0.0000 62.4223 32.4156 175.4278 105 I 4.4168 8.0892 121.1484 59.4812 38.9689 175.6444 106 N 4.4627 8.3747 121.2709 52.7225 39.6975 176.0661 107 A 2.6907 8.3135 122.7298 55.1358 18.4772 179.2023 108 D 4.7189 7.7212 112.7768 54.8365 41.9372 178.8334 109 R 3.9162 7.6293 119.7109 58.9968 30.2037 178.3242 110 L 3.8088 7.3763 119.9531 57.9764 42.0117 178.7119 111 K 3.9302 7.7601 119.1523 59.8563 31.9895 178.8548 112 T 3.8243 7.6175 115.9158 66.7227 68.4409 176.6249 113 S 4.0686 7.9120 114.8693 61.3665 62.4021 176.3371 114 V 3.4905 8.0647 120.8393 66.0298 31.2994 177.9037 115 A 4.0608 7.8417 120.3565 54.8950 18.1961 179.4083 116 L 3.8017 8.1419 119.0781 58.7917 42.1412 178.9507 117 H 4.3932 8.0945 115.6199 58.0384 28.6586 177.5870 118 L 3.9569 7.9650 122.8291 57.8159 41.8396 178.9832 119 K 3.9490 7.9973 118.4189 59.6319 32.1976 179.3507 120 R 3.9117 7.9155 117.9002 59.4330 29.8981 179.0915 121 A 4.0301 7.8128 120.5121 54.8737 18.3343 179.6682 122 K 3.8920 8.2283 118.2810 59.5973 32.1073 178.8777 123 L 3.9863 8.1069 119.9058 58.1857 42.0807 178.4439 124 E 4.1600 7.9710 116.9636 58.4732 29.7867 178.4384 125 D 4.4856 7.7809 118.9207 57.0201 41.2449 177.5121 126 L 4.3400 7.6576 116.6557 57.0279 40.6569 177.7958 127 V 3.9491 7.6596 112.7787 62.7520 32.8658 176.3580 128 E 4.6877 7.4470 119.1481 53.6520 28.8032 176.2303 129 G 4.0704 7.4466 103.6769 45.1782 0.0000 172.0385 130 H 4.4317 8.4330 118.2589 55.7920 28.4320 173.1635 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 L 8.18 4.28 0.00 1.68 1.82 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 2 R 7.75 4.27 0.00 1.89 1.89 0.00 3.27 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 3 P 0.00 4.73 0.00 2.24 2.00 0.00 3.88 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.19 0.00 4 R 9.56 5.28 0.00 1.99 2.16 0.00 3.17 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.73 0.00 5 V 9.30 4.78 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 0.95 0.00 0.00 0.41 0.00 0.00 6 L 8.94 4.91 0.00 1.79 1.50 0.09 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.86 5.01 0.00 1.91 1.54 1.05 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.89 4.71 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 0.89 0.00 0.00 0.89 0.00 0.00 9 E 9.00 5.02 0.00 1.98 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 0.00 2.33 2.54 0.00 10 D 8.98 4.47 0.00 2.78 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 11 S 7.90 4.29 0.00 3.85 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 *12 T 8.08 4.37 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 13 S 7.71 4.54 0.00 3.76 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 14 L 7.63 3.62 0.00 1.56 1.57 0.61 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.60 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.43 3.62 1.75 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 1.44 0.61 0.84 0.00 0.00 17 L 7.19 3.60 0.00 1.58 1.39 0.48 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 7.62 4.60 0.00 3.21 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 19 K 8.00 4.17 0.00 1.87 1.83 0.00 1.66 0.00 0.00 1.59 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.57 7.81 20 Q 8.14 4.05 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 21 Y 7.79 4.55 0.00 3.28 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 22 V 7.34 4.35 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 1.13 0.00 0.00 1.16 0.00 0.00 23 K 7.56 3.94 0.00 1.91 1.85 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.68 1.61 7.81 24 D 7.83 4.89 0.00 2.61 2.61 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 25 E 7.36 4.47 0.00 1.48 1.12 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 2.14 2.28 0.00 26 P 0.00 4.57 0.00 2.19 2.09 0.00 3.56 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 27 Y 6.63 5.08 0.00 3.04 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 28 D 9.08 4.66 0.00 2.70 2.21 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 29 I 7.99 4.85 1.99 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.88 0.87 0.00 0.00 30 F 9.12 5.06 0.00 2.62 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 31 H 8.87 5.42 0.00 3.09 3.14 0.00 5.69 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.56 4.39 1.98 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 0.54 0.00 0.00 0.83 0.00 0.00 33 E 8.94 5.08 0.00 2.00 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 2.30 2.23 0.00 34 T 7.38 4.81 4.40 0.00 0.00 0.00 0.00 0.00 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 35 G 9.27 3.57 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 0.00 0.00 0.00 0.00 36 R 8.39 3.86 0.00 1.94 2.09 0.00 2.74 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 37 D 7.93 4.35 0.00 2.74 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 38 A 7.78 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 39 I 7.48 3.36 1.52 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.26 -0.19 0.00 0.00 40 Q 7.95 3.98 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 41 F 8.16 3.97 0.00 3.20 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 42 I 8.12 3.82 2.11 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 1.63 1.08 1.04 0.00 0.00 43 E 8.25 4.10 0.00 2.00 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 2.75 2.73 0.00 44 R 7.47 4.13 0.00 1.72 1.69 0.00 3.24 0.00 0.00 2.95 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.70 0.00 45 S 7.88 3.84 0.00 2.72 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 46 K 7.25 3.88 0.00 1.85 1.82 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.31 7.81 47 P 0.00 4.66 0.00 2.34 2.43 0.00 3.86 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.35 0.00 48 Q 8.92 4.27 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 49 L 7.79 5.01 0.00 1.61 1.33 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.92 4.86 1.88 0.00 0.00 0.91 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 0.69 0.93 0.00 0.00 51 I 8.94 4.49 1.82 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 1.01 0.68 0.75 0.00 0.00 52 L 8.87 4.80 0.00 1.68 1.61 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.39 5.59 0.00 2.97 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 54 L 8.62 4.16 0.00 1.64 1.72 1.05 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.15 4.42 0.00 1.72 1.74 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.45 7.81 56 L 7.81 4.91 0.00 1.89 1.47 0.90 0.80 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 57 P 0.00 4.38 0.00 2.16 2.17 0.00 3.71 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 1.97 1.94 0.00 58 D 7.32 4.75 0.00 2.89 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 M 7.29 4.57 0.00 2.16 2.36 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 60 S 8.61 4.60 0.00 3.93 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 61 G 8.70 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 62 E 8.36 4.01 0.00 2.09 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 0.00 2.43 2.47 0.00 63 D 7.51 4.41 0.00 3.00 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 64 V 7.78 3.77 2.22 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 1.00 0.00 0.00 0.90 0.00 0.00 65 L 7.96 4.02 0.00 1.80 1.85 1.01 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.55 4.46 0.00 3.03 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 67 W 8.11 4.14 0.00 3.54 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 68 I 7.91 3.88 2.12 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.95 0.99 0.00 0.00 69 N 7.90 4.41 0.00 2.72 2.88 0.00 0.00 7.11 7.70 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 70 Q 7.73 4.07 0.00 1.86 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.07 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 71 N 7.61 4.52 0.00 2.55 2.68 0.00 0.00 7.29 8.21 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 72 D 7.82 4.31 0.00 2.72 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 73 I 7.63 4.17 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.90 0.96 0.00 0.00 74 P 0.00 4.61 0.00 2.05 2.02 0.00 3.64 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 2.03 2.10 0.00 75 T 7.65 4.80 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 1.34 0.00 0.00 76 S 8.73 4.30 0.00 3.73 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 77 V 8.46 4.85 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 1.04 0.00 0.00 0.96 0.00 0.00 78 I 8.61 4.82 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.72 0.80 0.00 0.00 79 I 8.68 4.66 1.72 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.75 0.46 0.00 0.00 80 A 8.79 4.84 1.06 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 0.00 0.00 81 T 8.04 4.97 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 0.96 0.00 0.00 82 A 8.58 4.77 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 83 H 8.49 3.88 0.00 3.24 3.36 0.00 5.88 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 7.86 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 0.00 0.00 0.00 0.00 85 S 8.16 4.68 0.00 4.00 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 86 V 7.97 3.40 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 1.07 0.00 0.00 0.88 0.00 0.00 87 D 7.98 4.30 0.00 2.69 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 88 L 7.61 3.97 0.00 1.64 1.72 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.44 2.86 0.55 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 0.00 0.00 90 V 7.60 3.43 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 1.11 0.00 0.00 0.91 0.00 0.00 91 N 8.09 4.35 0.00 2.78 2.85 0.00 0.00 7.13 6.89 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 92 L 7.94 4.09 0.00 2.13 1.84 0.99 1.06 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 93 I 7.91 4.01 1.85 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 1.77 1.23 0.97 0.00 0.00 94 Q 8.09 4.06 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 95 K 7.58 4.31 0.00 2.00 1.88 0.00 1.70 0.00 0.00 1.87 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.62 7.81 96 G 7.81 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 97 A 8.20 4.28 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 98 E 9.31 4.46 0.00 1.89 1.74 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 2.27 2.24 0.00 99 D 7.56 4.58 0.00 2.57 2.38 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 0.00 100 F 8.63 4.93 0.00 3.00 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 0.00 101 L 9.31 4.50 0.00 1.47 1.48 0.80 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 102 E 8.49 4.73 0.00 2.06 1.87 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 2.25 2.40 0.00 103 K 8.61 4.38 0.00 1.80 1.78 0.00 1.80 0.00 0.00 1.87 0.00 0.00 3.16 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.43 7.81 104 P 0.00 4.58 0.00 2.23 2.09 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 2.01 2.01 0.00 105 I 8.09 4.42 1.89 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.68 0.81 0.00 0.00 106 N 8.37 4.46 0.00 2.82 2.65 0.00 0.00 7.01 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 0.00 107 A 8.31 2.69 1.08 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 0.00 108 D 7.72 4.72 0.00 2.65 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 0.00 109 R 7.63 3.92 0.00 1.88 1.90 0.00 3.27 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 110 L 7.38 3.81 0.00 1.55 1.48 0.68 0.60 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 0.00 111 K 7.76 3.93 0.00 2.08 1.77 0.00 1.70 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.55 7.81 112 T 7.62 3.82 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 1.20 0.00 0.00 113 S 7.91 4.07 0.00 3.99 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 0.00 114 V 8.06 3.49 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 0.58 0.00 0.00 0.92 0.00 0.00 115 A 7.84 4.06 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 0.00 116 L 8.14 3.80 0.00 1.76 1.73 0.87 1.24 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 0.00 117 H 8.09 4.39 0.00 3.29 3.50 0.00 5.87 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 7.96 3.96 0.00 2.02 1.77 0.83 0.45 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 0.00 119 K 8.00 3.95 0.00 2.14 1.84 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.65 7.81 120 R 7.92 3.91 0.00 1.93 2.00 0.00 3.19 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 121 A 7.81 4.03 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 0.00 122 K 8.23 3.89 0.00 2.01 1.99 0.00 1.55 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.50 7.81 123 L 8.11 3.99 0.00 1.88 1.69 0.92 0.89 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 0.00 124 E 7.97 4.16 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 2.35 2.51 0.00 125 D 7.78 4.49 0.00 2.78 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 0.00 126 L 7.66 4.34 0.00 1.85 1.78 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 127 V 7.66 3.95 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 0.79 0.00 0.00 1.01 0.00 0.00 128 E 7.45 4.69 0.00 1.93 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 2.25 2.27 0.00 129 G 7.45 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 0.00 130 H 8.43 4.43 0.00 3.18 3.23 0.00 5.76 0.00 0.00 0.00 0.00 6.91 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.