NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.2081 8.2493 123.5839 52.0353 19.4612 176.4161 *2 K 4.1383 8.5386 112.0533 56.6322 34.5996 175.6013 3 D 4.6539 7.7470 119.5770 52.4805 41.8140 174.5144 4 P 4.2533 0.0000 0.0000 65.5924 31.4075 178.7366 5 L 4.0671 7.8772 118.7993 57.0386 41.5266 179.1036 6 L 3.9083 8.3063 120.3947 58.0250 42.0421 178.4301 7 N 4.3102 8.3989 117.1979 56.9585 38.8876 176.9994 8 S 4.1864 8.2421 116.4932 61.5192 62.8394 176.5045 9 L 3.9906 8.2278 123.2706 58.1487 41.7665 179.0557 10 I 3.7210 8.1740 120.2266 64.4187 36.9894 177.6481 11 Y 3.9436 8.1824 120.3642 60.8836 38.7343 178.5401 12 V 3.7660 8.0689 119.0982 65.9033 31.5294 177.6734 13 S 4.1694 8.5300 113.4642 61.7125 62.1387 176.5221 14 R 3.8674 8.2429 120.7183 59.3754 29.5450 178.3258 15 Y 3.8748 7.9306 118.8277 60.3671 38.4216 176.8889 16 Y 4.3650 8.0740 115.8505 57.0660 37.8461 176.2306 17 G 3.7807 8.0863 108.0947 46.2920 0.0000 173.4337 18 L 4.4230 8.0888 119.7202 52.5699 42.7541 176.1865 19 A 4.4091 8.4938 127.3090 51.1824 19.3562 176.3219 20 N 4.9535 8.3517 120.2194 50.9673 42.7858 174.6192 21 S 4.4362 8.6212 118.5642 57.6207 65.1068 173.3591 22 P 4.2363 0.0000 0.0000 65.9984 31.1487 178.4797 23 E 4.0813 8.2092 116.5691 59.5168 29.3815 178.8479 24 A 4.0044 8.0449 120.5632 55.4423 18.2153 179.6824 25 L 4.0162 7.9168 117.0684 56.9160 41.7125 178.9056 26 V 4.3411 7.3591 110.5595 59.6322 31.9685 175.0739 27 N 4.4310 7.2261 119.2919 55.0249 38.9789 174.9950 28 G 3.9320 8.9195 112.9788 45.6965 0.0000 172.6261 29 L 4.6063 7.6048 119.4953 52.3522 43.1346 175.6431 30 P 4.5529 0.0000 0.0000 61.3769 30.0463 175.8374 31 L 4.2218 7.9885 125.8318 55.4408 42.6770 176.9052 32 S 4.5690 8.7350 117.5865 57.8079 63.7573 174.2738 33 D 4.2780 9.6901 126.2785 55.3399 39.3738 174.0755 34 G 3.9744 8.5393 101.9763 45.4385 0.0000 173.9407 35 K 4.8767 7.7461 118.1061 53.7757 35.6877 176.1557 36 L 4.4508 9.1444 122.2158 55.1398 42.2688 176.4658 37 T 4.8295 8.0124 109.8003 58.4864 72.3558 173.0196 38 P 4.3475 0.0000 0.0000 65.7706 30.8624 178.9510 39 F 4.3297 7.7962 115.3135 59.7905 39.1186 176.7311 40 L 4.4734 8.0572 117.5398 55.5507 41.9707 178.4624 41 L 3.8397 7.4254 120.2551 57.5317 41.8896 176.9639 42 P 4.2933 0.0000 0.0000 65.7680 31.3710 178.7832 43 R 3.9508 7.9800 116.1415 58.9616 29.9239 178.7310 44 A 4.2326 8.4004 121.8533 54.5423 18.2863 179.4811 45 A 3.8845 8.4059 119.7192 55.2277 18.4518 179.2931 46 E 4.0704 8.1825 119.1202 59.0611 29.4727 179.4177 47 R 3.9764 7.7947 116.0912 58.6002 30.1589 178.1624 48 A 4.5408 6.9780 120.5498 51.9447 18.9703 178.0998 49 G 3.7917 8.2686 106.0059 45.3343 0.0000 172.7213 50 L 4.9952 8.0820 119.0408 52.4079 45.8809 175.3751 51 V 4.6155 8.8358 119.6011 61.1205 34.1394 174.0068 52 A 5.3436 8.7069 128.7729 50.0425 21.8670 174.9650 53 K 4.5992 9.0238 122.6810 54.5368 35.7446 174.8269 54 E 3.6426 8.5617 128.3383 55.6439 30.4296 174.9968 55 N 4.9027 8.3980 122.6482 51.5964 43.7173 173.0856 56 R 5.1335 8.2331 118.6474 54.8487 32.0145 175.7245 57 A 4.7339 8.7500 123.1968 50.8599 22.7210 176.2153 58 E 4.2616 8.8153 119.8603 56.0276 30.7071 177.9630 59 L 3.5325 8.9471 124.0909 58.4689 42.0123 178.6402 60 E 4.2719 8.0471 113.7174 57.1494 29.5213 177.1347 61 K 4.3254 7.9237 118.2091 56.2968 32.9182 176.7227 62 I 3.7220 7.1431 121.0480 60.4570 37.6184 175.8777 63 S 4.2190 8.4706 120.6782 57.7662 63.2072 174.7859 64 S 4.1304 8.8220 121.9525 61.4766 62.7134 176.5573 65 L 4.0253 7.9479 119.8373 57.0562 41.4022 177.6682 66 I 4.2297 7.4671 109.7625 60.8189 38.2146 176.1210 67 L 4.3111 7.6225 121.9368 53.8781 42.1267 174.8097 68 P 4.7281 0.0000 0.0000 62.7928 32.2615 175.2300 69 A 4.9826 8.6428 123.2835 50.3313 23.0882 174.9255 70 I 4.8315 8.5338 120.1132 59.8316 39.4223 175.1551 71 L 4.9946 9.1034 128.2804 53.7184 43.7496 176.0106 72 V 4.4378 8.8582 123.6861 62.2300 32.6797 175.0034 73 L 5.2529 8.7431 127.8933 52.4179 44.8941 176.5437 74 K 3.8555 8.7959 120.5356 57.5668 33.2386 177.9345 75 G 3.6735 9.0209 110.2892 46.4999 0.0000 174.4104 76 G 3.8212 8.3659 105.0136 45.5207 0.0000 173.3884 77 D 4.9979 7.4147 119.2338 53.1100 43.3745 174.8970 78 S 5.2510 8.2361 113.8757 57.8409 66.4417 172.6874 79 C 4.6778 8.6999 114.5892 57.0286 33.6582 172.8084 80 V 4.3552 8.5561 119.9108 62.2284 32.8423 174.3610 81 L 4.5891 8.8423 130.3309 54.1197 42.6961 176.2347 82 N 4.5858 8.9396 125.1400 55.2435 39.8842 175.4624 83 S 4.5954 7.3173 110.0454 57.7444 66.0989 174.7078 84 I 4.9377 8.2143 120.5812 59.7265 40.6013 174.5654 85 N 4.6548 9.1717 125.3505 52.1502 41.6630 174.8787 *87 E 4.1702 8.7318 120.0812 56.3291 30.9480 176.6583 88 T 4.0799 7.8904 105.0255 61.5846 70.0992 174.1337 89 R 3.8428 7.9060 121.5280 57.7629 28.2562 175.2408 90 E 5.1709 7.6408 115.2950 54.4841 34.3915 176.3325 91 A 4.9638 9.0460 124.6618 50.1055 22.5636 174.6941 92 E 4.9605 9.0311 122.5663 54.8663 31.4889 175.3862 93 V 4.9014 8.8301 119.5210 59.8526 36.7458 174.5210 94 T 4.7955 8.5100 119.1311 62.0412 71.1832 173.7518 95 T 4.8591 8.5394 116.3750 59.2497 71.8922 175.1224 96 L 3.9824 8.5972 123.0913 58.2427 42.2392 177.9993 97 E 4.1643 8.1221 117.2760 59.0526 29.6201 178.0873 98 S 4.1848 8.0768 112.2908 59.0029 63.6031 174.9069 99 G 4.0280 8.0352 114.4609 45.5401 0.0000 173.7490 *101 V 3.9328 7.4028 118.9511 61.2503 32.2634 172.9312 102 P 4.6777 0.0000 0.0000 62.6323 32.0100 175.7397 103 I 4.7258 8.9108 116.2726 59.1747 41.4152 174.3168 104 S 5.1851 8.5798 119.4701 57.9716 63.9587 173.6101 105 I 4.7619 8.8413 116.7878 58.3047 41.7782 172.9236 106 P 4.8921 0.0000 0.0000 61.8681 32.0013 177.3588 107 L 3.9346 8.8042 125.1000 58.2732 41.9034 179.1124 108 E 3.9378 8.2363 116.9867 59.8727 29.0313 178.9199 109 D 4.3504 8.0275 119.3827 56.9022 40.8567 178.5379 110 L 4.0701 7.8163 120.4443 57.9980 41.9794 178.6448 111 L 4.0498 7.9682 118.3790 57.9892 41.6694 178.9772 112 E 4.0929 8.1823 117.9340 58.5885 29.7879 177.8993 113 Q 4.3904 7.7693 115.4711 55.5018 29.5337 174.8771 114 Y 4.6631 7.5470 122.1991 57.4719 39.3213 175.4852 115 T 3.8656 7.8640 116.8313 62.4383 69.6685 175.8528 116 G 3.6511 5.6940 110.5682 44.5014 0.0000 172.5741 117 R 5.2847 7.3369 119.0647 54.5031 33.3074 174.5784 118 Y 5.3841 8.6775 120.1311 55.8504 42.5890 173.3771 119 F 5.0046 9.6474 118.9017 55.5545 41.7073 174.8837 120 L 4.7521 8.6763 126.7589 54.6690 43.0974 175.4752 121 V 5.1989 8.5887 126.1006 61.0649 34.3054 174.3040 122 K 4.7848 8.7802 125.3495 54.4640 36.7588 174.9656 123 K 4.0545 8.1985 121.7019 55.7803 32.9780 176.5337 124 Q 4.2404 8.3835 124.5421 56.3989 28.2585 176.4808 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 0 A 8.25 4.21 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 *2 K 8.54 4.14 0.00 1.91 2.00 0.00 1.59 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.39 7.81 3 D 7.75 4.65 0.00 2.73 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 4 P 0.00 4.25 0.00 2.21 2.21 0.00 3.66 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.18 0.00 5 L 7.88 4.07 0.00 1.67 1.65 0.94 0.64 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 6 L 8.31 3.91 0.00 1.90 1.81 0.92 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.40 4.31 0.00 2.90 2.98 0.00 0.00 7.25 8.10 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 8 S 8.24 4.19 0.00 4.06 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 9 L 8.23 3.99 0.00 1.76 1.79 0.88 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.17 3.72 2.12 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 1.57 0.74 0.95 0.00 0.00 11 Y 8.18 3.94 0.00 3.18 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 12 V 8.07 3.77 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 1.18 0.00 0.00 1.18 0.00 0.00 13 S 8.53 4.17 0.00 3.92 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 14 R 8.24 3.87 0.00 1.83 1.86 0.00 3.34 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.75 0.00 15 Y 7.93 3.87 0.00 2.62 3.11 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 16 Y 8.07 4.37 0.00 3.22 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 17 G 8.09 3.78 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 0.00 0.00 0.00 18 L 8.09 4.42 0.00 1.78 1.62 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.49 4.41 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 20 N 8.35 4.95 0.00 2.71 2.67 0.00 0.00 6.85 7.57 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 21 S 8.62 4.44 0.00 4.05 3.99 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 22 P 0.00 4.24 0.00 2.04 2.20 0.00 3.69 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 2.22 0.00 23 E 8.21 4.08 0.00 2.01 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 2.40 2.38 0.00 24 A 8.04 4.00 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 25 L 7.92 4.02 0.00 1.78 1.71 0.92 1.13 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 26 V 7.36 4.34 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 0.78 0.00 0.00 1.02 0.00 0.00 27 N 7.23 4.43 0.00 2.77 2.74 0.00 0.00 7.15 7.84 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 28 G 8.92 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 29 L 7.60 4.61 0.00 1.79 1.60 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.55 0.00 2.17 2.08 0.00 3.78 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 1.97 1.98 0.00 31 L 7.99 4.22 0.00 1.66 1.87 0.96 0.99 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 32 S 8.73 4.57 0.00 3.91 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 33 D 9.69 4.28 0.00 2.75 2.70 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 34 G 8.54 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 35 K 7.75 4.88 0.00 1.96 1.67 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.57 7.81 36 L 9.14 4.45 0.00 1.57 1.58 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.01 4.83 4.48 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 0.00 0.00 0.00 1.31 0.00 0.00 38 P 0.00 4.35 0.00 1.85 2.31 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 2.08 2.26 0.00 39 F 7.80 4.33 0.00 3.07 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 40 L 8.06 4.47 0.00 1.79 1.71 1.01 0.52 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 41 L 7.43 3.84 0.00 1.68 1.17 0.70 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.29 0.00 2.24 2.24 0.00 3.65 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.48 0.00 43 R 7.98 3.95 0.00 2.01 1.98 0.00 3.14 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 44 A 8.40 4.23 1.31 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 0.00 0.00 45 A 8.41 3.88 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 46 E 8.18 4.07 0.00 2.12 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 2.30 2.36 0.00 47 R 7.79 3.98 0.00 2.02 2.08 0.00 3.32 0.00 0.00 3.48 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 48 A 6.98 4.54 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 49 G 8.27 3.79 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 0.00 0.00 0.00 50 L 8.08 5.00 0.00 1.61 1.52 0.89 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.84 4.62 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 0.97 0.00 0.00 0.90 0.00 0.00 52 A 8.71 5.34 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 53 K 9.02 4.60 0.00 1.81 1.58 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.20 1.30 7.81 54 E 8.56 3.64 0.00 1.16 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 1.69 1.47 0.00 55 N 8.40 4.90 0.00 1.52 2.41 0.00 0.00 6.67 7.66 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 56 R 8.23 5.13 0.00 1.65 1.83 0.00 3.20 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 57 A 8.75 4.73 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 58 E 8.82 4.26 0.00 2.08 1.94 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 2.45 2.34 0.00 59 L 8.95 3.53 0.00 1.51 1.61 0.31 0.82 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 60 E 8.05 4.27 0.00 1.98 1.94 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 2.26 2.29 0.00 61 K 7.92 4.33 0.00 1.84 1.83 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.54 7.81 62 I 7.14 3.72 1.68 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.32 0.53 0.00 0.00 63 S 8.47 4.22 0.00 3.83 3.71 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 64 S 8.82 4.13 0.00 4.01 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 0.00 65 L 7.95 4.03 0.00 1.66 1.80 0.93 0.82 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 66 I 7.47 4.23 1.95 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 1.44 0.56 0.96 0.00 0.00 67 L 7.62 4.31 0.00 1.72 1.64 0.87 0.74 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 68 P 0.00 4.73 0.00 2.06 1.83 0.00 3.53 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.22 0.00 69 A 8.64 4.98 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 70 I 8.53 4.83 2.03 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.78 0.97 0.00 0.00 71 L 9.10 4.99 0.00 1.66 1.82 0.71 0.50 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 72 V 8.86 4.44 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 0.97 0.00 0.00 1.10 0.00 0.00 73 L 8.74 5.25 0.00 1.57 1.59 0.93 1.02 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 74 K 8.80 3.86 0.00 1.85 1.74 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.59 7.81 75 G 9.02 3.67 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 0.00 0.00 0.00 76 G 8.37 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 77 D 7.41 5.00 0.00 2.94 2.57 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 78 S 8.24 5.25 0.00 4.06 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 79 C 8.70 4.68 0.00 3.16 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 80 V 8.56 4.36 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 0.85 0.00 0.00 0.88 0.00 0.00 81 L 8.84 4.59 0.00 1.66 1.43 0.87 0.23 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 82 N 8.94 4.59 0.00 2.63 2.77 0.00 0.00 6.92 7.18 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 83 S 7.32 4.60 0.00 3.80 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 84 I 8.21 4.94 1.80 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.57 0.86 0.00 0.00 85 N 9.17 4.65 0.00 2.67 2.65 0.00 0.00 6.48 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 *87 E 8.73 4.17 0.00 1.96 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 0.00 2.18 2.36 0.00 88 T 7.89 4.08 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 89 R 7.91 3.84 0.00 2.04 1.98 0.00 3.05 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 90 E 7.64 5.17 0.00 1.81 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 2.46 2.21 0.00 91 A 9.05 4.96 1.13 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 0.00 0.00 92 E 9.03 4.96 0.00 2.03 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 2.19 2.26 0.00 93 V 8.83 4.90 2.05 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 0.61 0.00 0.00 0.93 0.00 0.00 94 T 8.51 4.80 3.73 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 0.99 0.00 0.00 95 T 8.54 4.86 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 1.18 0.00 0.00 96 L 8.60 3.98 0.00 1.61 1.75 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.12 4.16 0.00 1.97 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 2.31 2.36 0.00 98 S 8.08 4.18 0.00 4.04 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 99 G 8.04 4.03 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 0.00 0.00 0.00 *101 V 7.40 3.93 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 0.83 0.00 0.00 0.97 0.00 0.00 102 P 0.00 4.68 0.00 1.96 1.86 0.00 3.72 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 2.11 1.97 0.00 103 I 8.91 4.73 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.16 0.96 0.00 0.00 104 S 8.58 5.19 0.00 3.76 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 0.00 105 I 8.84 4.76 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.25 0.89 0.00 0.00 106 P 0.00 4.89 0.00 2.30 2.00 0.00 4.01 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.02 0.00 107 L 8.80 3.93 0.00 1.69 1.72 0.87 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 108 E 8.24 3.94 0.00 2.23 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 2.36 2.42 0.00 109 D 8.03 4.35 0.00 2.93 2.75 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 0.00 110 L 7.82 4.07 0.00 1.72 1.76 0.91 0.55 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 0.00 111 L 7.97 4.05 0.00 1.85 1.76 0.92 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.18 4.09 0.00 1.97 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 2.33 2.41 0.00 113 Q 7.77 4.39 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.79 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 114 Y 7.55 4.66 0.00 2.95 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 0.00 115 T 7.86 3.87 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 1.17 0.00 0.00 116 G 5.69 3.65 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 0.00 117 R 7.34 5.28 0.00 1.66 1.74 0.00 3.07 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.38 0.00 118 Y 8.68 5.38 0.00 3.27 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 0.00 119 F 9.65 5.00 0.00 2.92 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 0.00 120 L 8.68 4.75 0.00 1.94 1.57 1.04 0.57 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 0.00 121 V 8.59 5.20 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 0.94 0.00 0.00 1.03 0.00 0.00 122 K 8.78 4.78 0.00 1.85 1.91 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.19 7.81 123 K 8.20 4.05 0.00 1.51 1.71 0.00 1.90 0.00 0.00 1.76 0.00 0.00 2.75 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.37 7.81 124 Q 8.38 4.24 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.32 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.