NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9754 8.3549 109.7359 45.2151 0.0000 172.8883 3 F 4.0674 8.7983 117.9400 56.3693 39.7360 174.6216 4 Q 4.0255 9.5658 125.9547 59.6554 29.4458 177.6795 5 Y 4.1951 9.1560 120.8951 60.9017 38.5095 178.4444 6 K 4.1887 8.0015 118.4645 59.0076 32.2235 178.8860 7 E 4.1453 8.0200 118.1442 59.2502 29.6784 178.2394 8 D 4.5052 7.9798 116.9992 55.1904 41.1145 176.3647 9 H 4.7013 7.0580 115.6347 52.3885 32.9865 172.3220 10 P 4.4884 0.0000 0.0000 62.2793 33.2046 176.8252 11 F 4.0565 8.9292 121.3297 61.9712 39.1985 177.2939 12 E 3.9714 8.5807 119.7279 60.4198 29.2794 179.6304 *13 Y 4.0118 7.7849 120.0555 61.9464 36.9887 179.9511 14 R 4.2913 7.9287 120.1584 59.1083 30.1331 179.1618 15 K 4.2045 7.9762 121.0059 58.9325 32.1724 178.9628 16 K 4.2299 7.9920 120.1630 58.9302 31.8779 178.9555 17 E 4.1220 8.5958 119.7439 59.2041 29.6279 179.1136 18 G 3.2160 8.5360 106.0426 47.5134 0.0000 175.3280 19 E 3.6293 8.4571 121.2243 59.0504 29.4949 179.3097 20 K 3.8653 7.9597 119.2803 59.7321 32.1818 178.8327 21 I 3.8060 7.8752 120.0156 64.5314 36.7913 178.7303 22 R 3.8593 7.8465 120.2943 59.4641 29.8419 179.7659 23 K 4.0270 7.7443 122.8417 59.7269 31.8859 181.5471 24 K 4.1452 7.8663 120.0376 57.6179 33.5753 176.4825 25 Y 4.6657 7.8731 117.4044 55.0635 37.9211 174.1593 26 P 4.2073 0.0000 0.0000 64.5475 32.2539 176.9822 27 D 4.7694 8.0965 116.1850 53.7070 41.2984 174.9228 28 R 5.1068 7.5441 115.2076 54.1877 33.1746 175.6925 29 V 4.1267 8.4418 114.9669 58.6913 34.9686 173.2055 30 P 5.0076 0.0000 0.0000 62.4412 32.9860 175.1910 31 V 4.8787 8.9503 123.4715 61.1237 35.1813 173.8299 32 I 4.7277 8.3990 128.6924 59.6965 39.0363 174.6487 33 V 5.0923 9.2844 127.4324 61.3498 34.0392 174.2058 34 E 5.0338 9.3681 126.2685 54.2071 34.4825 174.7446 35 K 3.2902 8.3019 122.2370 55.5988 33.0611 176.5549 36 A 4.0616 8.5634 129.3033 51.2181 19.0142 176.7431 37 P 4.0774 0.0000 0.0000 65.4052 31.2028 177.4090 38 K 4.3421 7.8417 114.3572 55.6583 32.7256 176.3729 39 A 4.2656 7.8952 125.2668 52.9558 19.1764 178.9987 40 R 4.6627 8.7881 119.4028 54.3464 29.1831 175.0689 41 V 4.6673 7.1359 114.1493 58.8065 36.5321 173.6485 42 P 4.4627 0.0000 0.0000 62.9549 31.6954 176.3027 43 D 5.0320 8.3428 119.9811 53.0043 42.0404 176.1014 44 L 4.7665 8.2657 121.3519 53.3665 43.6049 176.8868 45 D 4.4608 8.6480 121.1393 56.2490 41.2165 176.7000 46 K 4.4014 7.9578 120.4090 54.8128 33.2906 175.5410 47 R 5.0042 8.4187 121.3797 55.3222 32.3666 175.2812 48 K 4.8042 7.8113 119.2037 55.0770 33.2674 175.4193 49 Y 4.4921 9.2990 123.2877 56.0057 41.4759 175.0307 50 L 4.8969 8.5219 123.7651 53.3411 43.5726 175.3912 51 V 4.5283 8.3202 118.6022 58.1378 35.1947 173.5680 52 P 4.7119 0.0000 0.0000 62.9741 31.8197 177.8181 53 S 4.0486 8.8473 118.6116 61.3851 63.0178 175.8646 54 D 4.4769 7.8895 118.3521 54.9345 41.2790 176.3162 55 L 4.1369 7.7524 123.2527 55.3137 42.7503 176.5039 56 T 4.6919 8.9162 116.7371 61.0460 71.2042 175.8698 57 V 3.8154 9.0388 122.6133 66.5378 31.4941 178.7239 58 G 3.9261 8.5070 105.2328 48.1639 0.0000 175.7014 59 Q 4.1772 8.4058 120.4556 58.5838 28.6165 178.6764 60 F 4.4377 8.4726 121.9057 61.4785 39.4678 176.5914 61 Y 4.0996 8.6468 116.9663 61.2272 37.7702 178.4592 62 F 4.1275 8.4336 121.2356 61.4556 39.4377 177.2532 63 L 3.7596 8.0663 118.2604 57.8137 41.4580 179.6319 64 I 3.3331 7.5981 119.8035 64.0814 36.9962 178.3184 65 R 3.6685 8.1996 119.9061 59.3575 29.8596 178.3758 66 K 3.7250 7.4657 118.6628 59.6109 31.9293 178.9834 67 R 3.9135 7.6265 117.1212 57.9738 29.9131 177.9396 68 I 4.1564 7.1142 111.0988 59.7757 38.1716 175.0019 69 H 4.0242 7.5253 115.3333 57.1629 26.6907 175.0278 70 L 4.4462 7.6058 117.4833 54.0410 42.7645 177.5191 71 R 4.2741 9.2316 120.8284 54.8729 30.9685 176.0515 72 P 4.1164 0.0000 0.0000 65.7291 31.3350 177.1966 73 E 4.2368 7.9459 112.7935 56.6781 30.2354 176.1794 74 D 4.4878 7.9047 120.6309 53.6328 41.6673 176.0242 75 A 3.9336 8.2193 124.9282 52.1250 19.1285 176.6727 76 L 4.4999 7.1622 122.0901 53.7021 45.3923 174.6799 77 F 5.0853 9.1203 123.8326 55.7896 43.3003 173.6926 78 F 5.5794 9.4487 121.2725 56.4450 41.2093 174.7328 79 F 5.5187 9.4847 122.6141 56.0889 41.2867 175.0034 80 V 4.5973 9.1430 124.1562 60.8773 34.0973 175.2888 81 N 4.4034 9.9218 130.8578 55.2660 35.8977 174.8907 82 N 4.3845 8.4469 106.7990 53.1418 35.6600 175.9000 83 T 4.7461 7.7836 107.1954 60.9689 72.0054 172.8508 84 I 5.2781 8.4626 122.9961 58.2176 37.9785 174.2424 85 P 4.6073 0.0000 0.0000 61.6075 32.3883 174.6011 86 P 4.6577 0.0000 0.0000 62.5287 32.3596 177.4804 87 T 4.1454 8.6972 110.3639 64.8376 68.7367 176.1457 88 S 4.2710 8.0851 114.6359 59.6345 63.8444 174.3682 89 A 4.3239 7.9041 125.3027 52.2360 18.8818 176.8057 90 T 4.7679 8.6591 111.6615 61.1372 71.5567 176.3253 91 M 4.0459 9.1644 123.1089 58.4131 31.9144 179.4171 92 G 3.6329 8.3457 106.4046 47.9301 0.0000 175.8162 93 Q 4.0388 8.1064 120.5687 58.6517 28.9119 178.5488 94 L 4.0082 8.2836 121.7418 58.1357 41.9796 178.4475 95 Y 3.9130 8.3546 119.8166 60.8212 38.6031 177.8382 96 E 4.0892 8.2692 118.1574 59.5332 29.6324 178.6049 97 D 4.5138 8.1199 117.1792 56.3244 41.4187 176.3015 98 N 4.9452 7.6691 112.7802 52.2323 40.7151 174.4023 99 H 4.1439 7.8416 114.5616 55.5363 28.9103 175.2546 100 E 4.3732 8.9417 121.9838 55.5555 30.3705 177.4598 101 E 3.9857 8.6256 118.5072 58.3344 29.5771 177.6232 102 D 4.3048 8.2539 118.1104 53.1636 39.8896 176.9972 103 Y 3.9243 7.9514 116.4354 58.7988 36.1026 168.8315 104 F 4.8184 8.5624 119.0828 56.0012 41.5939 174.4681 105 L 4.8269 8.5759 123.8494 54.0012 43.9584 174.6248 106 Y 4.7952 8.5794 122.9907 56.0756 40.3647 175.1317 107 V 4.7327 9.0870 123.9597 61.1656 34.7289 173.9544 108 A 5.4652 9.3148 130.0414 50.5957 21.4491 174.9903 109 Y 5.3907 8.2193 118.6437 55.5682 41.2607 174.6449 110 S 4.6629 8.8758 114.9915 56.8965 66.6808 173.7835 111 D 4.6019 8.6534 123.0384 53.6834 39.5309 176.2060 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 2 G 8.35 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 3 F 8.80 4.07 0.00 3.22 3.39 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 4 Q 9.57 4.03 0.00 2.27 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.85 0.00 0.00 0.00 0.00 0.00 2.48 2.72 0.00 5 Y 9.16 4.20 0.00 3.25 3.16 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 0.00 6 K 8.00 4.19 0.00 1.95 1.90 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.61 1.57 7.81 7 E 8.02 4.15 0.00 2.10 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 2.35 0.00 8 D 7.98 4.51 0.00 2.42 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 0.00 0.00 0.00 0.00 9 H 7.06 4.70 0.00 2.68 2.96 0.00 5.66 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.49 0.00 2.31 2.21 0.00 3.73 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 2.09 2.03 0.00 11 F 8.93 4.06 0.00 3.18 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 12 E 8.58 3.97 0.00 2.06 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 2.54 2.42 0.00 *13 Y 7.78 4.01 0.00 2.32 2.30 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 14 R 7.93 4.29 0.00 1.98 2.35 0.00 3.28 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.92 0.00 15 K 7.98 4.20 0.00 0.93 1.57 0.00 1.59 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.60 1.29 7.81 16 K 7.99 4.23 0.00 1.87 1.87 0.00 1.85 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.39 7.81 17 E 8.60 4.12 0.00 2.28 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 2.46 2.44 0.00 18 G 8.54 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 0.00 0.00 0.00 19 E 8.46 3.63 0.00 2.23 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 2.22 2.70 0.00 20 K 7.96 3.87 0.00 2.02 2.02 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.46 7.81 21 I 7.88 3.81 1.84 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 1.60 0.66 0.86 0.00 0.00 22 R 7.85 3.86 0.00 1.63 1.76 0.00 2.99 0.00 0.00 2.75 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 23 K 7.74 4.03 0.00 1.87 1.72 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.31 7.81 24 K 7.87 4.15 0.00 1.53 1.46 0.00 1.50 0.00 0.00 1.49 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.30 0.94 7.81 25 Y 7.87 4.67 0.00 3.02 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 26 P 0.00 4.21 0.00 1.99 2.05 0.00 3.61 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 27 D 8.10 4.77 0.00 2.71 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 28 R 7.54 5.11 0.00 1.66 1.64 0.00 3.37 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 29 V 8.44 4.13 1.80 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 0.45 0.00 0.00 0.80 0.00 0.00 30 P 0.00 5.01 0.00 1.76 1.95 0.00 3.07 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.57 0.00 31 V 8.95 4.88 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 0.76 0.00 0.00 0.79 0.00 0.00 32 I 8.40 4.73 1.03 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 -0.36 0.87 0.00 0.00 33 V 9.28 5.09 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 1.01 0.00 0.00 0.83 0.00 0.00 34 E 9.37 5.03 0.00 1.83 1.73 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 2.43 2.65 0.00 35 K 8.30 3.29 0.00 1.28 1.43 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.15 0.91 7.81 36 A 8.56 4.06 1.16 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 0.00 0.00 0.00 37 P 0.00 4.08 0.00 2.17 2.16 0.00 3.78 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 38 K 7.84 4.34 0.00 2.07 1.90 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 0.98 7.81 39 A 7.90 4.27 1.17 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 0.00 0.00 40 R 8.79 4.66 0.00 1.79 1.72 0.00 3.24 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.43 0.00 41 V 7.14 4.67 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 0.92 0.00 0.00 1.09 0.00 0.00 42 P 0.00 4.46 0.00 2.09 2.04 0.00 3.73 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 2.28 2.15 0.00 43 D 8.34 5.03 0.00 2.72 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 44 L 8.27 4.77 0.00 1.77 1.67 0.76 1.06 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 45 D 8.65 4.46 0.00 2.66 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 46 K 7.96 4.40 0.00 1.62 1.65 0.00 1.53 0.00 0.00 1.54 0.00 0.00 2.21 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.48 1.08 7.81 47 R 8.42 5.00 0.00 2.11 2.27 0.00 3.42 0.00 0.00 3.48 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.48 0.00 48 K 7.81 4.80 0.00 1.52 1.69 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.91 1.32 7.81 49 Y 9.30 4.49 0.00 3.00 2.97 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 50 L 8.52 4.90 0.00 1.41 1.34 0.74 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.32 4.53 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 0.74 0.00 0.00 0.64 0.00 0.00 52 P 0.00 4.71 0.00 2.04 1.96 0.00 3.59 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 53 S 8.85 4.05 0.00 3.96 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 54 D 7.89 4.48 0.00 2.68 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 55 L 7.75 4.14 0.00 1.77 1.55 1.05 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.92 4.69 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 1.24 0.00 0.00 57 V 9.04 3.82 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 1.28 0.00 0.00 1.05 0.00 0.00 58 G 8.51 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 59 Q 8.41 4.18 0.00 2.36 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 60 F 8.47 4.44 0.00 3.14 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 61 Y 8.65 4.10 0.00 3.27 2.79 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 62 F 8.43 4.13 0.00 3.17 3.25 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 63 L 8.07 3.76 0.00 1.83 1.64 1.11 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 64 I 7.60 3.33 1.66 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.29 0.35 0.00 0.00 65 R 8.20 3.67 0.00 1.78 1.82 0.00 3.00 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 66 K 7.47 3.73 0.00 1.53 1.63 0.00 1.45 0.00 0.00 1.45 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.19 1.35 7.81 67 R 7.63 3.91 0.00 1.77 1.86 0.00 3.11 0.00 0.00 3.28 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 68 I 7.11 4.16 1.84 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.49 0.72 0.00 0.00 69 H 7.53 4.02 0.00 3.29 3.38 0.00 5.84 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.61 4.45 0.00 1.67 1.50 0.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 71 R 9.23 4.27 0.00 1.86 2.01 0.00 3.30 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 72 P 0.00 4.12 0.00 2.01 2.15 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 73 E 7.95 4.24 0.00 2.04 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 2.22 2.25 0.00 74 D 7.90 4.49 0.00 2.70 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 75 A 8.22 3.93 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 76 L 7.16 4.50 0.00 1.36 1.10 0.99 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 77 F 9.12 5.09 0.00 2.99 3.09 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 78 F 9.45 5.58 0.00 3.04 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 79 F 9.48 5.52 0.00 3.03 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 80 V 9.14 4.60 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 1.10 0.00 0.00 1.06 0.00 0.00 81 N 9.92 4.40 0.00 3.03 2.85 0.00 0.00 7.09 8.00 0.00 0.00 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 N 8.45 4.38 0.00 2.92 2.80 0.00 0.00 6.72 7.71 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 83 T 7.78 4.75 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 1.32 0.00 0.00 84 I 8.46 5.28 2.03 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 1.46 1.65 1.26 0.00 0.00 85 P 0.00 4.61 0.00 2.32 2.17 0.00 4.25 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.13 0.00 86 P 0.00 4.66 0.00 2.32 2.30 0.00 3.80 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.02 0.00 87 T 8.70 4.15 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 1.37 0.00 0.00 88 S 8.09 4.27 0.00 4.04 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 0.00 89 A 7.90 4.32 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.66 4.77 4.43 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 1.22 0.00 0.00 91 M 9.16 4.05 0.00 1.77 2.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.69 0.00 92 G 8.35 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 8.11 4.04 0.00 2.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 94 L 8.28 4.01 0.00 1.90 1.82 0.98 0.85 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 95 Y 8.35 3.91 0.00 3.18 3.12 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 96 E 8.27 4.09 0.00 2.06 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 0.00 2.70 2.55 0.00 97 D 8.12 4.51 0.00 2.76 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 98 N 7.67 4.95 0.00 2.90 2.77 0.00 0.00 7.02 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 99 H 7.84 4.14 0.00 2.76 1.92 0.00 5.75 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 0.00 100 E 8.94 4.37 0.00 2.49 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 2.34 2.46 0.00 101 E 8.63 3.99 0.00 2.08 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 0.00 2.29 2.21 0.00 102 D 8.25 4.30 0.00 3.03 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 0.00 103 Y 7.95 3.92 0.00 3.09 3.04 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 0.00 0.00 0.00 104 F 8.56 4.82 0.00 3.02 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 0.00 105 L 8.58 4.83 0.00 1.89 1.76 0.91 0.94 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 0.00 106 Y 8.58 4.80 0.00 2.58 1.78 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 0.00 107 V 9.09 4.73 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 0.56 0.00 0.00 0.81 0.00 0.00 108 A 9.31 5.47 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 0.00 109 Y 8.22 5.39 0.00 3.12 3.29 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 0.00 110 S 8.88 4.66 0.00 3.40 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 0.00 111 D 8.65 4.60 0.00 2.88 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 * Residues marked with a * may have inaccurate shift predictions.