NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *6 H 4.6296 8.4444 117.3724 53.4037 29.1057 171.5258 7 R 4.5824 7.8875 121.3243 55.4974 30.5145 174.9199 8 L 4.4708 8.5742 126.9056 55.3581 43.0154 176.4371 9 S 4.7619 9.0618 116.2244 56.9369 65.2379 175.1405 10 A 3.4519 8.6400 121.8287 54.6631 17.8424 179.6646 11 E 3.8661 8.0428 117.8017 59.2779 30.0310 177.8531 12 E 3.9314 8.1454 118.7136 59.7748 29.6076 179.7191 13 R 3.9012 8.7996 118.5514 59.6440 30.0393 178.9279 14 D 4.6531 8.1544 117.4204 56.6972 40.8401 178.0033 15 Q 4.4369 8.0651 116.1365 56.5882 29.6428 176.7589 16 L 4.4587 7.6108 119.7001 56.0985 43.1406 178.3051 17 L 4.1335 8.4902 119.4935 57.1114 41.6317 177.4642 18 P 4.2121 0.0000 0.0000 65.7606 30.7704 177.9469 19 N 4.3011 8.1614 114.4120 56.4509 38.4994 177.1822 20 L 4.1476 7.9109 119.6613 57.9115 41.7387 179.5620 21 R 4.2396 8.7747 119.3943 58.8293 29.8996 179.0145 22 A 4.1734 8.5129 119.1821 54.0044 18.2554 178.4495 23 V 4.1926 7.0526 114.3897 61.7501 31.5852 176.6544 24 G 3.7910 7.9327 107.6329 45.2017 0.0000 174.4467 25 W 4.1643 8.6819 121.6544 56.4317 30.3406 175.0034 26 N 5.1335 8.5975 122.3956 51.5540 40.8432 173.7623 27 E 4.9826 8.8094 122.3255 55.7292 30.6759 176.4846 28 L 4.3903 10.2268 124.3775 54.8840 42.2364 176.6219 29 E 4.4328 8.7731 118.9259 58.2576 30.8020 179.0262 30 G 3.4447 8.0238 105.5674 47.2940 0.0000 173.4034 31 R 4.5450 7.2444 114.9697 54.3143 32.5536 174.8321 32 D 4.7168 8.5524 120.0002 54.1181 41.2671 174.4296 33 A 4.9077 8.1249 124.8811 51.0045 22.6802 174.5605 34 I 5.2676 7.9985 112.6280 59.7031 40.7675 174.5168 35 F 5.7758 9.6930 117.8565 56.4748 41.7896 172.6724 36 K 3.6326 9.0465 119.7515 54.9284 35.6809 173.8396 37 Q 4.9556 7.7784 126.4485 54.4783 30.6980 174.4999 38 F 4.6294 9.6562 125.1127 55.9291 42.1974 174.0702 39 H 4.9909 8.0399 120.3915 54.5338 32.5540 172.1271 40 F 4.8989 9.0732 123.2912 55.3595 42.6374 175.4603 41 K 4.1609 9.0691 119.0328 59.4992 32.0933 176.5673 42 D 4.3690 7.5021 115.3399 51.1262 42.2710 175.2823 43 F 3.8996 8.3155 119.5103 61.6863 39.4121 176.3352 44 N 3.9249 8.2325 116.1794 57.0762 37.9943 176.5849 45 R 3.7698 8.2683 118.7180 58.6061 30.2655 178.4982 46 A 3.1302 7.2631 120.5254 55.0415 18.2978 179.5804 47 F 3.6496 8.1099 119.5116 60.8925 39.2138 177.4199 48 G 3.5771 7.6683 105.2827 47.9019 0.0000 175.3676 49 F 4.1301 8.9162 123.7795 61.1074 39.3057 177.0801 50 M 3.6500 7.8419 118.6985 58.4259 31.5713 178.9110 51 T 3.5905 7.5987 116.1396 66.6884 68.3577 177.0430 52 R 3.9643 7.5535 120.0311 59.1724 29.9315 179.3204 53 V 3.8153 7.6079 117.9865 65.6042 31.3875 177.9618 54 A 3.9868 8.4807 121.1037 55.1132 18.1366 179.6163 55 L 3.8637 7.8705 117.5369 57.7803 41.6696 179.5803 56 Q 3.5114 7.5296 117.9144 58.9575 29.0140 177.8049 57 A 3.8521 7.9110 122.1095 55.4724 17.7763 179.5404 58 E 3.8769 8.2901 117.1209 58.9762 29.2833 179.1278 59 K 3.7844 7.7436 119.6380 59.5812 32.2005 177.8726 60 L 3.9739 7.6887 116.2984 55.1647 42.2462 176.1394 61 D 4.2336 7.5173 116.0071 54.7498 39.3447 174.2230 62 H 4.5678 8.0073 117.7617 55.3671 32.4663 171.5837 63 H 4.6340 8.4526 124.3081 53.2179 30.7185 172.8546 64 P 4.4468 0.0000 0.0000 62.3673 33.2114 175.4762 65 E 4.7275 8.9163 120.1444 54.5351 30.4446 175.3106 66 W 5.9842 9.0314 120.7073 54.5982 31.9371 174.2826 67 F 5.0737 9.5581 123.3454 56.5843 41.9607 173.3810 68 N 5.3499 7.8462 122.7477 51.8847 42.4234 173.9171 69 V 4.1528 8.3479 124.3101 61.6813 34.7347 176.6055 70 Y 3.5840 8.6549 131.6142 59.0624 38.7549 170.4349 71 N 4.7332 9.3010 113.9507 52.2870 38.0758 173.8579 72 K 5.2075 8.1646 118.6887 54.9720 35.8213 175.3473 73 V 4.9877 9.0700 123.4800 61.6459 34.7793 173.4512 74 H 5.3719 9.9395 129.4129 55.0363 31.5908 173.5470 75 I 5.4702 9.3992 126.9483 60.0301 40.4369 174.7541 76 T 5.5428 9.1401 122.2433 61.9161 72.5624 172.9405 77 L 5.2188 9.0550 124.7183 53.2844 45.4277 175.8925 78 S 4.9179 8.6610 117.6886 57.8367 67.5666 173.0295 79 T 4.6292 7.8582 116.4794 62.5853 69.7821 174.6207 80 H 4.4214 9.0782 125.3311 58.8274 30.7101 175.9918 81 E 4.0570 8.1703 119.0408 58.9286 30.1977 176.8340 82 C 4.0426 7.8241 111.4441 57.9464 29.2255 172.5144 83 A 4.4947 7.9739 127.1150 50.8225 22.8986 178.0379 84 G 4.1218 7.2724 103.1320 45.4327 0.0000 172.0996 85 L 3.7964 8.0662 120.0376 55.3720 42.1713 176.5061 86 S 5.0275 8.5369 117.1887 55.5776 67.6056 174.8249 87 E 3.8956 8.6385 121.0191 59.6323 29.0925 179.4601 88 R 3.8247 7.9544 117.4095 59.7037 30.0503 178.2907 89 D 4.2967 7.5085 116.5662 57.4721 40.7529 178.9351 90 I 3.5143 7.5209 120.0290 64.5823 37.0962 177.8292 91 N 4.2124 8.6782 117.4022 56.4273 37.7778 176.9630 92 L 3.8904 7.8581 121.0421 58.2448 42.0907 178.6379 93 A 4.0042 7.9073 120.5758 55.4127 18.0637 179.8466 94 S 4.0487 7.6847 112.9329 61.7246 62.9511 176.3451 95 F 3.9101 8.3868 123.3130 61.5027 39.0927 176.7825 96 I 3.8122 9.3787 119.4921 65.0088 36.8784 178.0699 97 E 4.3187 8.5625 117.7776 59.7291 29.0994 179.3883 98 Q 4.1066 8.3977 118.5291 58.8515 28.9116 178.6676 99 V 3.4979 7.5467 119.0831 65.9851 31.0143 177.8853 100 A 4.0319 8.2850 120.4708 55.1651 17.9040 179.7464 101 V 3.7006 7.4521 115.7924 65.8077 31.6301 178.0944 102 S 4.2839 7.8251 113.3709 60.8064 62.9000 174.6611 103 M 4.0123 7.9905 120.6134 56.2313 31.3900 176.2097 104 T 4.0911 8.8757 116.4672 62.7382 68.5646 174.6226 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 *6 H 8.44 4.63 0.00 2.95 2.97 0.00 7.21 0.00 0.00 0.00 0.00 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 7.89 4.58 0.00 1.89 1.92 0.00 3.04 0.00 0.00 3.88 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 8 L 8.57 4.47 0.00 1.56 1.59 0.90 1.02 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 9 S 9.06 4.76 0.00 3.87 4.12 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 10 A 8.64 3.45 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 11 E 8.04 3.87 0.00 2.05 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 2.36 2.39 0.00 12 E 8.15 3.93 0.00 2.28 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 2.33 2.39 0.00 13 R 8.80 3.90 0.00 1.92 1.98 0.00 3.23 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 14 D 8.15 4.65 0.00 2.86 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 15 Q 8.07 4.44 0.00 2.18 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 16 L 7.61 4.46 0.00 1.68 1.70 0.89 0.73 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 17 L 8.49 4.13 0.00 1.78 1.72 0.97 0.96 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 18 P 0.00 4.21 0.00 2.16 2.13 0.00 3.56 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 2.10 2.34 0.00 19 N 8.16 4.30 0.00 2.73 2.88 0.00 0.00 7.08 6.74 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 20 L 7.91 4.15 0.00 1.64 1.46 0.66 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.77 4.24 0.00 2.05 2.02 0.00 3.17 0.00 0.00 3.30 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 22 A 8.51 4.17 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 23 V 7.05 4.19 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 1.03 0.00 0.00 1.01 0.00 0.00 24 G 7.93 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 25 W 8.68 4.16 0.00 3.34 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 26 N 8.60 5.13 0.00 2.63 2.88 0.00 0.00 6.60 8.29 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 27 E 8.81 4.98 0.00 1.94 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 2.36 2.42 0.00 28 L 10.23 4.39 0.00 1.78 1.61 0.92 0.60 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 29 E 8.77 4.43 0.00 1.99 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 0.00 2.35 2.25 0.00 30 G 8.02 3.44 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 0.00 0.00 0.00 31 R 7.24 4.54 0.00 1.77 1.86 0.00 3.05 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 32 D 8.55 4.72 0.00 2.85 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 33 A 8.12 4.91 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 34 I 8.00 5.27 2.21 0.00 0.00 0.49 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 0.91 1.00 0.00 0.00 35 F 9.69 5.78 0.00 3.50 3.42 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 36 K 9.05 3.63 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.30 0.30 7.81 37 Q 7.78 4.96 0.00 2.05 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.54 0.00 0.00 0.00 0.00 0.00 2.24 2.45 0.00 38 F 9.66 4.63 0.00 2.94 2.39 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 39 H 8.04 4.99 0.00 2.99 2.91 0.00 5.67 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 9.07 4.90 0.00 3.02 2.92 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 41 K 9.07 4.16 0.00 1.82 1.94 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.49 7.81 42 D 7.50 4.37 0.00 2.83 2.81 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 0.00 0.00 0.00 0.00 43 F 8.32 3.90 0.00 2.79 3.07 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 44 N 8.23 3.92 0.00 2.79 3.10 0.00 0.00 7.13 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 45 R 8.27 3.77 0.00 1.73 1.73 0.00 3.26 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 46 A 7.26 3.13 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.11 3.65 0.00 2.07 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 48 G 7.67 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.92 4.13 0.00 2.73 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 50 M 7.84 3.65 0.00 1.14 1.49 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.08 0.00 51 T 7.60 3.59 4.18 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 1.14 0.00 0.00 52 R 7.55 3.96 0.00 1.88 2.04 0.00 3.12 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 53 V 7.61 3.82 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 0.94 0.00 0.00 0.39 0.00 0.00 54 A 8.48 3.99 1.44 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 0.00 0.00 55 L 7.87 3.86 0.00 1.68 1.67 0.91 0.98 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 56 Q 7.53 3.51 0.00 1.36 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 1.16 1.51 0.00 57 A 7.91 3.85 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 58 E 8.29 3.88 0.00 1.92 1.97 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 2.32 2.45 0.00 59 K 7.74 3.78 0.00 1.76 1.76 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.36 7.81 60 L 7.69 3.97 0.00 1.57 1.61 0.74 0.81 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 61 D 7.52 4.23 0.00 2.78 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 62 H 8.01 4.57 0.00 3.03 3.04 0.00 5.97 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.45 4.63 0.00 2.99 3.02 0.00 5.94 0.00 0.00 0.00 0.00 6.77 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 4.45 0.00 1.62 1.77 0.00 3.12 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.86 0.00 65 E 8.92 4.73 0.00 2.17 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 0.00 2.27 2.26 0.00 66 W 9.03 5.98 0.00 3.48 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 67 F 9.56 5.07 0.00 3.29 3.08 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 68 N 7.85 5.35 0.00 2.56 2.39 0.00 0.00 6.76 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 69 V 8.35 4.15 2.17 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 0.95 0.00 0.00 0.93 0.00 0.00 70 Y 8.65 3.58 0.00 3.03 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 0.00 0.00 0.00 0.00 71 N 9.30 4.73 0.00 3.00 2.69 0.00 0.00 5.72 7.20 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 72 K 8.16 5.21 0.00 1.84 1.80 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.16 1.38 7.81 73 V 9.07 4.99 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 1.27 0.00 0.00 1.10 0.00 0.00 74 H 9.94 5.37 0.00 3.52 3.53 0.00 5.60 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 9.40 5.47 2.39 0.00 0.00 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 1.83 1.02 1.24 0.00 0.00 76 T 9.14 5.54 4.42 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 1.37 0.00 0.00 77 L 9.06 5.22 0.00 1.61 1.78 0.77 0.79 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 78 S 8.66 4.92 0.00 3.74 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 79 T 7.86 4.63 4.47 0.00 0.00 0.00 0.00 0.00 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 80 H 9.08 4.42 0.00 3.10 3.29 0.00 5.77 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 81 E 8.17 4.06 0.00 1.99 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 2.31 2.37 0.00 82 C 7.82 4.04 0.00 3.10 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 83 A 7.97 4.49 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 84 G 7.27 4.12 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 0.00 0.00 0.00 85 L 8.07 3.80 0.00 1.72 1.64 0.93 0.78 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 86 S 8.54 5.03 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 87 E 8.64 3.90 0.00 1.98 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 2.37 2.38 0.00 88 R 7.95 3.82 0.00 1.44 1.61 0.00 3.07 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 89 D 7.51 4.30 0.00 2.67 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 90 I 7.52 3.51 1.97 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.83 0.00 0.00 91 N 8.68 4.21 0.00 2.89 2.81 0.00 0.00 6.73 6.86 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 92 L 7.86 3.89 0.00 1.68 1.61 0.78 0.96 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 93 A 7.91 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 S 7.68 4.05 0.00 3.99 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 95 F 8.39 3.91 0.00 3.14 3.24 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 96 I 9.38 3.81 2.48 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.72 1.23 0.00 0.00 97 E 8.56 4.32 0.00 2.31 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 0.00 3.01 2.80 0.00 98 Q 8.40 4.11 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 99 V 7.55 3.50 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 1.22 0.00 0.00 0.35 0.00 0.00 100 A 8.28 4.03 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 0.00 101 V 7.45 3.70 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 0.90 0.00 0.00 1.03 0.00 0.00 102 S 7.83 4.28 0.00 4.11 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 0.00 103 M 7.99 4.01 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 104 T 8.88 4.09 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 1.12 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.