NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 P 4.4163 0.0000 0.0000 62.6802 31.6665 175.2119 8 I 4.3393 8.1467 116.9117 56.3972 39.8316 172.6647 9 P 4.9655 0.0000 0.0000 60.3256 34.7942 175.5625 10 N 4.3424 8.5150 116.3813 53.6629 38.9670 174.7583 11 R 4.2731 8.3032 122.0612 54.6296 31.0882 174.4947 12 P 4.2843 0.0000 0.0000 62.6081 31.9532 175.8374 13 V 4.1182 8.1234 122.0558 61.2286 32.0429 175.7703 14 L 4.3888 8.2502 127.6282 53.9838 42.8169 177.1101 15 T 4.3330 8.3017 112.9973 61.7301 70.9734 176.0698 16 R 3.9232 8.6406 122.8582 62.0491 29.3248 178.9964 17 A 4.4106 8.5775 122.8969 54.5774 18.2862 180.0423 18 R 4.1537 8.0128 114.8895 59.0304 29.9437 178.7457 19 A 4.0413 8.4656 120.5023 55.4872 18.5192 179.7297 20 S 4.3837 8.0896 110.0057 59.1260 63.2074 174.2815 21 L 3.2203 7.1811 124.8100 54.5999 41.9311 175.0592 22 P 4.2878 0.0000 0.0000 63.2205 31.8534 177.9958 23 L 4.0832 8.2431 120.1049 56.9335 41.3484 179.2714 24 V 4.2334 7.7632 109.2530 62.0196 31.3869 175.0379 25 L 5.4319 7.4649 118.8885 53.3112 45.6072 175.3801 26 Y 4.8949 8.2589 118.4914 55.6277 42.0984 173.7898 27 I 4.5593 8.3097 121.5364 59.8633 38.8200 174.8898 28 D 4.6931 8.6842 130.5403 53.8435 41.2406 177.9520 29 R 3.9723 8.5025 125.6755 58.4843 29.9015 174.1444 30 F 4.4111 9.1435 117.3062 60.4147 39.2829 177.3281 31 L 4.5178 8.3856 117.3343 52.9275 41.9711 176.1373 32 G 4.0383 8.9304 111.3698 46.8108 0.0000 174.1049 33 G 4.0756 8.7346 106.1006 45.7409 0.0000 172.1041 34 V 4.4969 7.9235 118.0571 61.3989 33.7982 174.5464 35 F 5.0584 8.4854 126.6628 56.4235 44.0735 174.1370 36 S 5.0563 8.2814 121.5019 58.2562 63.1140 177.1054 37 K 4.3997 9.4131 132.1528 57.6255 32.2572 174.2761 38 R 4.8664 7.8568 119.5992 55.5400 34.0815 179.0150 39 R 4.3773 8.6679 116.6733 58.7817 30.2018 173.1801 40 I 4.5475 8.4674 124.3070 57.9267 39.9396 173.6442 41 P 4.8614 0.0000 0.0000 61.8620 32.0690 176.2754 42 K 3.8328 9.1550 122.8927 57.7544 32.5117 176.4494 43 R 4.0296 8.6808 124.1571 56.8838 29.2915 175.6454 44 T 4.1440 7.8473 113.6088 63.0060 69.7806 173.2709 45 Q 4.8939 8.3853 127.0558 54.5785 30.7222 174.6769 46 F 4.9791 9.5969 125.5139 56.4842 42.4354 175.5381 47 G 3.7823 9.3163 106.2248 43.4940 0.0000 171.0712 48 P 4.0437 0.0000 0.0000 61.6635 32.2749 176.6030 49 V 2.9722 7.2964 122.1409 63.6278 31.7337 175.0491 50 E 4.5989 8.6142 125.8282 54.0222 33.1011 173.1355 51 G 4.0001 9.2478 111.8382 45.4012 0.0000 176.2879 *61 D 4.0127 8.5918 120.9377 53.2774 41.5063 175.5598 62 C 4.8011 6.4412 114.5562 55.3912 29.1705 175.0350 63 Y 4.6910 6.9855 119.4952 56.7294 40.0405 175.1831 64 I 3.7688 8.7421 119.2278 61.1632 35.9237 175.6972 65 H 5.1439 8.3142 121.0546 54.7785 29.6789 174.8150 66 L 5.1859 9.3110 125.9677 53.6270 44.2125 176.7366 67 K 3.6493 8.2505 130.1517 55.3046 32.1742 173.4829 68 V 4.1387 7.8566 117.1718 61.9085 34.2055 176.6274 *85 W 5.4633 7.5409 117.5927 56.1691 30.0408 175.0560 86 F 4.4801 9.0175 122.7497 58.1305 39.0559 177.2122 87 E 4.4669 8.5531 123.1277 54.7312 28.1152 172.7958 88 L 4.0936 6.3373 125.9266 54.5845 41.9994 179.0697 89 S 4.2668 7.8340 115.2554 60.4070 63.7021 173.7352 90 D 4.7282 7.5858 120.5439 52.3752 42.2971 176.5580 91 E 4.0794 8.6850 124.8415 58.1177 29.9190 177.9910 92 T 4.5143 7.7063 107.6013 61.5589 69.8785 175.3210 93 L 4.3608 7.7978 120.7835 55.3874 43.0094 175.9019 94 C 5.1015 7.7217 114.8057 56.5482 31.1563 173.2587 95 N 4.7799 7.9566 119.1842 51.2127 38.7445 175.6767 96 W 4.7471 8.7695 116.6721 59.4951 27.6963 177.8827 97 M 3.3189 6.8977 118.5604 57.0778 30.8780 177.9175 98 M 3.9320 7.1937 116.6487 57.3799 31.2108 177.4261 99 F 4.9894 8.0908 117.4877 56.9994 39.9225 175.6710 100 V 3.9869 7.3934 119.1377 62.1837 31.5134 176.1978 101 R 4.3499 8.6232 127.8164 55.4483 31.4598 174.3839 102 P 5.0561 0.0000 0.0000 62.4395 32.1907 176.0102 103 A 4.2175 8.8713 128.8776 53.1213 18.4900 178.0821 104 Q 4.0923 9.1576 119.7989 55.1531 29.0209 173.2052 105 N 4.6682 7.2107 112.4344 53.1194 39.6571 174.6364 106 H 4.3935 8.5098 113.0150 57.8172 29.1735 176.5486 107 L 4.0748 7.8047 119.9356 57.1292 41.4869 177.6511 108 E 4.3412 7.9766 114.3858 56.7171 30.7610 176.3401 109 Q 4.0250 7.5755 121.3100 56.6034 29.3498 175.2166 110 N 5.1612 9.0097 119.8362 52.2061 39.4825 173.5412 111 L 5.4247 7.9287 119.0079 53.3139 46.0074 175.6644 112 V 4.9792 8.7889 114.3017 59.6774 35.4079 174.5697 113 A 5.8613 8.7081 124.6253 50.3165 22.0113 175.2006 114 Y 3.9606 7.3166 116.1215 56.3336 41.4374 172.3899 115 Q 4.8587 8.4979 121.1749 55.1961 29.8234 173.7240 116 Y 4.7592 9.3826 127.6651 59.1274 41.4362 176.1376 117 G 3.8575 8.5698 104.9426 46.7357 0.0000 174.9731 *118 H 4.9966 9.0160 116.3684 53.6301 29.1314 175.2078 119 H 5.0411 7.8053 116.1509 55.0084 33.8634 173.1537 120 V 4.6053 8.1178 121.0817 61.6417 33.4390 174.2419 121 Y 4.9127 8.5227 124.7124 56.2390 42.2702 173.9213 122 Y 5.5443 8.7626 118.0094 56.8160 41.2940 175.1904 123 T 5.4232 9.3891 120.7700 61.7424 73.0295 173.5882 124 T 4.8670 9.0470 116.2726 61.8097 70.0840 174.7867 125 I 4.6242 8.6351 116.7026 60.7837 38.6817 175.1959 126 K 4.7856 7.6868 121.2433 54.7853 36.8736 175.1435 127 N 4.7712 9.0230 122.8387 54.2709 39.5197 175.5768 128 V 4.3994 9.0293 123.2117 59.3813 34.1219 172.9764 129 E 4.4552 8.8728 125.8586 54.8910 30.2345 175.6030 130 P 4.5287 0.0000 0.0000 63.5540 32.3223 176.9937 131 K 4.1592 8.9841 125.3245 57.0292 29.4201 175.5997 132 Q 5.0555 7.8815 119.3293 54.1572 32.3683 176.9619 133 E 3.2592 8.3946 123.4481 54.8561 31.0686 175.6276 134 L 4.3869 8.1339 127.7962 54.8910 42.3225 176.7196 135 K 4.9338 9.3554 122.9575 54.5278 36.7630 175.7711 136 V 4.8730 8.4186 121.5398 60.0848 35.1687 174.0498 137 W 5.1626 8.4420 130.7228 56.0244 34.9398 173.0601 138 Y 4.8560 6.2099 119.8366 58.1614 37.8720 176.6796 139 A 4.3553 9.5685 125.7544 51.7493 18.9879 178.3186 140 A 4.0149 9.1599 123.4664 55.5146 17.7796 180.2739 141 S 4.1756 8.0996 111.4764 61.0502 63.7575 175.5244 142 Y 4.5916 8.3867 122.4943 60.7776 38.4478 178.0758 143 A 3.4607 8.6011 124.0451 55.8002 18.3146 179.7486 144 E 3.9123 7.4047 115.0540 61.5045 29.6968 180.9384 145 F 4.5936 7.5357 119.0749 61.2346 39.7336 177.4636 146 V 3.1853 7.4460 118.8057 65.4784 31.0829 176.0219 147 N 4.5669 7.5043 119.3196 52.2617 38.4555 178.6407 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 7 P 0.00 4.42 0.00 2.19 2.18 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 8 I 8.15 4.34 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 1.47 0.65 0.91 0.00 0.00 9 P 0.00 4.97 0.00 2.16 2.05 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.94 0.00 10 N 8.52 4.34 0.00 2.73 2.81 0.00 0.00 6.87 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 11 R 8.30 4.27 0.00 1.77 1.83 0.00 3.24 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 12 P 0.00 4.28 0.00 2.08 1.97 0.00 3.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 13 V 8.12 4.12 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 0.83 0.00 0.00 0.94 0.00 0.00 14 L 8.25 4.39 0.00 1.71 1.64 0.93 0.96 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 15 T 8.30 4.33 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 16 R 8.64 3.92 0.00 1.83 2.02 0.00 3.26 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.31 0.00 17 A 8.58 4.41 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 18 R 8.01 4.15 0.00 2.01 2.02 0.00 3.24 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.91 0.00 19 A 8.47 4.04 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.09 4.38 0.00 4.28 4.13 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 21 L 7.18 3.22 0.00 1.67 1.56 0.60 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.29 0.00 2.02 1.92 0.00 2.34 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.94 0.00 23 L 8.24 4.08 0.00 1.66 1.58 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.76 4.23 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 0.71 0.00 0.00 1.02 0.00 0.00 25 L 7.46 5.43 0.00 1.37 1.23 0.91 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 8.26 4.89 0.00 3.05 2.98 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 27 I 8.31 4.56 1.67 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.45 0.51 0.00 0.00 28 D 8.68 4.69 0.00 2.63 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 29 R 8.50 3.97 0.00 1.87 1.83 0.00 3.31 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 30 F 9.14 4.41 0.00 3.05 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 31 L 8.39 4.52 0.00 1.65 1.55 0.92 0.75 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 32 G 8.93 4.04 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 0.00 0.00 0.00 33 G 8.73 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 0.00 0.00 0.00 34 V 7.92 4.50 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 0.95 0.00 0.00 1.10 0.00 0.00 35 F 8.49 5.06 0.00 1.71 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.28 5.06 0.00 3.39 3.74 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 37 K 9.41 4.40 0.00 1.50 1.76 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.27 7.81 38 R 7.86 4.87 0.00 1.52 1.69 0.00 3.24 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.18 0.00 39 R 8.67 4.38 0.00 1.59 1.76 0.00 3.17 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.24 0.00 40 I 8.47 4.55 1.98 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.04 1.05 0.00 0.00 41 P 0.00 4.86 0.00 1.93 1.99 0.00 3.73 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 2.02 2.09 0.00 42 K 9.16 3.83 0.00 1.78 1.77 0.00 1.72 0.00 0.00 1.50 0.00 0.00 2.94 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.49 1.51 7.81 43 R 8.68 4.03 0.00 2.02 2.06 0.00 3.29 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 44 T 7.85 4.14 4.15 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 0.76 0.00 0.00 45 Q 8.39 4.89 0.00 1.97 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.83 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 46 F 9.60 4.98 0.00 3.39 3.43 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 0.00 47 G 9.32 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 48 P 0.00 4.04 0.00 1.70 1.42 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.75 0.00 49 V 7.30 2.97 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 -0.52 0.00 0.00 0.18 0.00 0.00 50 E 8.61 4.60 0.00 1.72 1.68 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 2.23 2.14 0.00 51 G 9.25 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.59 4.01 0.00 2.74 2.58 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 62 C 6.44 4.80 0.00 2.66 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 63 Y 6.99 4.69 0.00 2.99 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 I 8.74 3.77 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 1.41 0.69 0.91 0.00 0.00 65 H 8.31 5.14 0.00 3.22 3.22 0.00 5.57 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 66 L 9.31 5.19 0.00 2.10 2.05 1.03 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.25 3.65 0.00 1.37 1.59 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.26 7.81 68 V 7.86 4.14 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 *85 W 7.54 5.46 0.00 3.27 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 86 F 9.02 4.48 0.00 3.13 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 87 E 8.55 4.47 0.00 1.98 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 2.17 1.88 0.00 88 L 6.34 4.09 0.00 0.45 1.24 0.78 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.83 4.27 0.00 4.01 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 90 D 7.59 4.73 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 91 E 8.68 4.08 0.00 2.10 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 2.29 2.29 0.00 92 T 7.71 4.51 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 1.22 0.00 0.00 93 L 7.80 4.36 0.00 1.61 1.73 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 94 C 7.72 5.10 0.00 2.72 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 95 N 7.96 4.78 0.00 2.97 2.90 0.00 0.00 5.66 8.88 0.00 0.00 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 W 8.77 4.75 0.00 3.81 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 97 M 6.90 3.32 0.00 1.06 1.29 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.81 0.00 98 M 7.19 3.93 0.00 1.75 1.99 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 2.20 0.00 99 F 8.09 4.99 0.00 3.31 3.10 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 0.00 0.00 0.00 100 V 7.39 3.99 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 0.73 0.00 0.00 1.16 0.00 0.00 101 R 8.62 4.35 0.00 1.81 1.85 0.00 3.31 0.00 0.00 3.46 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.71 0.00 102 P 0.00 5.06 0.00 2.28 2.33 0.00 3.82 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 103 A 8.87 4.22 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 0.00 104 Q 9.16 4.09 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.23 2.15 0.00 105 N 7.21 4.67 0.00 2.77 2.82 0.00 0.00 6.03 7.90 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 0.00 106 H 8.51 4.39 0.00 3.26 3.48 0.00 5.74 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 7.80 4.07 0.00 1.70 1.74 0.85 0.86 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 0.00 108 E 7.98 4.34 0.00 2.05 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 2.47 2.16 0.00 109 Q 7.58 4.02 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.88 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 110 N 9.01 5.16 0.00 2.90 2.97 0.00 0.00 6.34 6.17 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 0.00 111 L 7.93 5.42 0.00 1.58 1.48 0.92 1.17 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 0.00 112 V 8.79 4.98 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 0.83 0.00 0.00 1.16 0.00 0.00 113 A 8.71 5.86 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.32 3.96 0.00 3.05 3.10 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 0.00 0.00 0.00 115 Q 8.50 4.86 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.89 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 116 Y 9.38 4.76 0.00 3.22 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.57 3.86 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 0.00 0.00 0.00 *118 H 9.02 5.00 0.00 2.92 2.92 0.00 7.19 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 H 7.81 5.04 0.00 3.05 2.71 0.00 5.58 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 V 8.12 4.61 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 0.89 0.00 0.00 1.08 0.00 0.00 121 Y 8.52 4.91 0.00 2.37 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 0.00 122 Y 8.76 5.54 0.00 2.99 2.82 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 0.00 123 T 9.39 5.42 4.50 0.00 0.00 0.00 0.00 0.00 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 0.00 124 T 9.05 4.87 4.55 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 1.45 0.00 0.00 125 I 8.64 4.62 1.93 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 1.33 0.77 1.00 0.00 0.00 126 K 7.69 4.79 0.00 1.71 1.70 0.00 1.80 0.00 0.00 1.84 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.50 7.81 127 N 9.02 4.77 0.00 2.63 2.79 0.00 0.00 6.65 7.68 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 0.00 128 V 9.03 4.40 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 0.76 0.00 0.00 0.93 0.00 0.00 129 E 8.87 4.46 0.00 1.88 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 2.35 2.33 0.00 130 P 0.00 4.53 0.00 2.00 2.27 0.00 3.86 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 131 K 8.98 4.16 0.00 1.94 1.76 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.28 1.24 7.81 132 Q 7.88 5.06 0.00 1.69 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.09 0.00 0.00 0.00 0.00 0.00 2.24 1.88 0.00 133 E 8.39 3.26 0.00 1.30 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.47 0.00 134 L 8.13 4.39 0.00 1.53 1.55 0.71 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 135 K 9.36 4.93 0.00 1.76 1.59 0.00 1.54 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.25 1.23 7.81 136 V 8.42 4.87 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 0.37 0.00 0.00 0.23 0.00 0.00 137 W 8.44 5.16 0.00 3.28 2.95 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 0.00 138 Y 6.21 4.86 0.00 2.78 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 0.00 139 A 9.57 4.36 1.57 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 0.00 140 A 9.16 4.01 1.43 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 0.00 0.00 0.00 141 S 8.10 4.18 0.00 4.12 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 0.00 142 Y 8.39 4.59 0.00 3.22 3.45 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 0.00 143 A 8.60 3.46 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 E 7.40 3.91 0.00 1.90 1.92 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 2.27 2.22 0.00 145 F 7.54 4.59 0.00 2.98 3.28 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 0.00 0.00 0.00 0.00 146 V 7.45 3.19 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 0.76 0.00 0.00 -0.16 0.00 0.00 147 N 7.50 4.57 0.00 2.77 2.50 0.00 0.00 6.86 7.09 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 * Residues marked with a * may have inaccurate shift predictions.