NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.2735 8.2531 123.5793 51.7328 20.8845 177.4638 4 G 3.8975 7.7773 101.3303 45.2654 0.0000 170.9540 5 V 4.0604 8.1541 124.9686 65.4252 32.0043 180.0297 6 A 4.3824 8.2830 119.3136 55.5241 17.8328 178.5287 7 A 4.1954 7.5532 114.7600 52.9633 18.9525 178.4664 8 W 4.6386 8.7083 118.2291 57.7379 29.8699 178.3341 9 L 4.0944 7.7046 118.8815 57.3768 41.0330 177.5797 10 P 4.1949 0.0000 0.0000 65.8349 30.6738 178.3702 11 F 4.3607 7.5596 116.2443 60.0604 38.9449 177.2444 12 A 4.2520 8.1203 122.8247 55.9041 18.4588 180.0943 13 R 3.8494 8.3977 119.0964 61.7449 29.3330 180.7391 14 A 4.1738 8.3044 119.5955 55.1061 18.1706 178.8098 15 A 4.2417 8.0903 116.8157 53.2128 19.0189 179.0062 16 A 3.0635 7.7150 122.5575 54.0175 18.6680 175.7590 17 I 3.6850 6.5443 116.3352 62.1837 34.8081 176.2594 18 G 3.6899 7.4989 118.8952 44.2822 0.0000 172.0548 19 W 4.5560 7.2450 122.8627 58.2097 32.7155 174.0648 20 M 3.2812 9.2612 118.2932 56.3930 28.2567 177.4589 *37 R 4.4234 8.6988 117.2864 57.7354 32.0923 174.6611 38 Q 4.9410 7.7735 114.6164 54.3012 30.0076 178.7290 39 D 5.0116 8.5075 113.4001 54.3657 44.5825 175.3194 40 E 5.1106 8.7020 123.4627 54.5117 33.8496 174.6567 41 L 4.7264 8.5526 121.8425 54.1676 42.8801 176.4283 42 I 4.6232 9.0214 117.1316 59.3617 40.8710 174.5669 43 V 4.6179 8.5400 122.7121 61.4862 34.0085 174.2991 44 L 5.1609 9.5363 130.6021 52.9523 42.8415 174.9864 45 N 4.7949 9.4451 124.3379 53.7287 39.9538 173.9105 46 V 4.3148 8.7996 128.4450 61.1833 32.3978 174.7577 47 S 3.7394 8.6908 119.1754 58.2816 62.5122 171.5171 48 G 3.6650 7.7641 111.8862 46.2926 0.0000 175.2413 49 R 3.6701 7.9779 122.8604 56.0761 30.0432 176.2474 50 R 4.6405 8.1198 123.3352 54.9077 29.7559 176.1626 51 F 4.3817 9.0611 123.4775 57.3743 40.3969 174.5769 52 Q 5.1324 8.6037 120.2430 54.6893 32.2864 174.4132 53 T 4.5720 8.4550 116.1187 60.4993 71.7595 172.8448 54 W 4.8985 8.6595 125.6911 56.4000 30.2726 177.3094 55 R 3.9947 9.5497 123.8925 59.9981 29.3870 178.7795 56 T 4.0790 8.2332 108.9223 65.6368 68.4414 175.6739 57 T 4.0074 8.0780 118.3416 66.6898 68.6077 176.2920 58 L 4.2522 8.1842 120.4806 57.6364 41.6081 179.0867 59 E 4.1526 7.8668 117.5374 58.9640 29.3782 178.8399 60 R 4.0905 7.5962 117.7514 58.0562 30.8642 175.8123 61 Y 4.4361 7.7518 116.2203 54.8131 37.9925 172.9096 62 P 4.6980 0.0000 0.0000 62.3976 32.6466 177.2620 63 D 4.9348 8.8643 114.3855 53.9189 37.8882 173.3350 64 T 4.5815 6.7652 109.1231 60.8985 70.8191 175.8692 65 L 3.6012 7.9394 125.0876 57.8142 43.8425 178.7391 66 L 3.9631 7.9313 118.3517 57.6876 42.0183 179.1595 67 G 4.4544 8.2692 106.9071 47.4755 0.0000 172.9296 68 S 5.1080 7.6037 115.0385 57.6915 65.1659 173.9089 69 T 4.1598 8.3973 111.4292 64.5004 67.1866 176.9639 70 E 4.1594 8.3916 121.6511 59.5213 29.4788 178.7117 71 K 4.3201 7.9973 118.0270 59.8732 32.3430 178.2748 72 E 4.1697 8.5693 121.1711 59.3570 29.2545 178.1791 73 F 4.6630 8.3890 116.1826 59.0734 39.1020 175.5052 74 F 4.8551 8.8495 117.0708 56.9629 40.6915 174.5457 75 F 4.4556 8.3405 121.8440 57.5883 40.3899 174.2753 76 N 4.5280 7.5920 124.6404 51.7034 39.9216 174.6989 77 E 3.8530 8.9814 127.7360 59.5870 29.2168 177.4123 78 D 4.4273 7.5618 118.0937 56.6205 41.2854 177.6356 79 T 3.7494 7.7657 113.0530 62.6972 69.0201 173.8778 80 K 3.5979 7.4517 122.3702 56.4373 31.2431 174.0441 81 E 4.7680 6.6800 111.8799 54.8610 33.2630 173.6260 82 Y 4.7053 8.5832 119.4031 57.9492 39.2749 174.4398 83 F 5.2799 8.9538 126.2171 56.3503 42.5183 173.9882 84 F 4.9121 8.3397 124.2994 55.0721 42.1749 175.1103 85 D 4.8944 8.7724 125.0922 54.5895 41.3648 175.6984 86 R 4.3978 7.4146 116.6549 53.7617 32.3875 175.8567 87 D 4.4778 8.3529 118.5549 54.1169 41.5539 175.2499 88 P 4.3369 0.0000 0.0000 65.4864 32.2839 177.2989 89 E 4.1922 8.6180 119.7417 59.2629 29.9862 178.7082 90 V 3.6931 9.5766 119.7046 65.8531 32.0273 177.5527 91 F 3.3351 7.8460 121.2969 61.2693 38.7955 177.1944 92 R 3.9685 8.1601 117.6405 59.6962 29.8730 178.7091 93 C 4.1403 8.2533 116.2816 62.7611 27.9656 176.0964 94 V 3.3304 7.4084 117.9222 65.8477 31.1806 177.3038 95 L 3.7228 7.4996 119.9953 58.2940 41.7860 178.6432 96 N 4.3790 8.5181 116.5781 56.2543 38.1595 177.1065 97 F 4.5113 8.1281 123.1658 60.8070 39.5086 176.5474 98 Y 3.8960 8.2035 115.4590 61.0179 37.6780 177.0042 99 R 4.2460 7.6311 119.7298 57.2055 30.8021 176.5615 100 T 4.2551 7.1100 108.6048 60.8850 70.4337 176.1932 101 G 3.7113 8.6146 112.0364 48.3751 0.0000 173.9722 102 K 4.2654 7.5580 118.7555 55.7473 33.1832 175.9542 103 L 4.7267 8.6722 126.7859 54.2481 43.4653 174.6381 104 H 4.9385 8.8617 123.3300 54.3320 31.1742 174.1289 105 Y 4.1400 8.4844 123.2880 55.0731 38.5859 173.2513 106 P 3.8029 0.0000 0.0000 63.4537 30.3519 178.7302 107 R 3.8642 7.9957 122.6888 56.2491 28.7517 174.4615 108 Y 4.6296 7.9984 117.9781 59.2633 39.8989 176.2170 109 E 4.0977 6.6796 118.0474 55.8142 30.2968 176.6656 110 C 4.3977 8.2821 121.1711 59.2611 33.3530 174.0348 111 I 3.8343 8.6150 128.7220 65.1370 36.8479 178.0731 112 S 4.0922 8.1757 112.4302 61.7632 61.9798 175.9750 113 A 4.0655 7.6633 121.7451 55.0619 18.1343 178.1378 114 Y 4.4753 8.2902 115.9040 58.2787 39.8471 177.6248 115 D 4.1929 8.1608 119.6952 57.5383 41.0774 177.5915 116 D 4.4266 7.9442 119.2257 57.8304 40.9561 179.2083 117 E 3.9709 7.6942 118.4668 59.4485 29.4843 179.4514 118 L 3.9149 7.6572 118.5867 57.6215 41.3641 179.4393 119 A 3.9544 8.3523 121.2417 54.8923 18.0589 179.3617 120 F 3.9910 7.7129 117.7331 61.7158 39.3283 176.5451 121 Y 4.2875 7.8439 114.1390 58.1346 37.4572 176.8203 122 G 3.7726 7.5263 106.7882 45.9996 0.0000 173.1651 123 I 4.1088 7.3369 120.0063 58.9617 38.6363 175.7555 124 L 4.1115 8.3763 125.2505 54.4277 42.3110 176.4585 125 P 3.8399 0.0000 0.0000 65.0370 32.0911 176.6286 126 E 4.5385 7.6256 112.9962 55.2993 28.9950 175.7806 127 I 4.1644 7.6064 116.2656 61.8724 37.8256 177.0058 128 I 3.9360 6.7973 121.9167 60.4167 37.5213 176.7960 129 G 3.8674 8.4835 111.4389 44.6370 0.0000 174.1873 130 D 4.4795 8.5568 120.0550 57.1407 40.7834 178.5667 131 C 4.3350 8.1500 114.2349 60.8045 29.9737 174.6266 132 C 4.8697 8.0497 119.5447 60.9191 29.6117 175.8638 *133 Y 4.3815 8.0161 121.6496 60.7882 36.3456 182.3208 134 E 4.2451 8.0913 118.2479 60.5989 29.7308 178.9233 135 E 4.1497 8.2118 117.8756 59.2334 29.4596 178.5380 136 Y 3.7676 8.5548 122.0685 61.0543 39.0292 178.3766 137 K 4.0338 7.8250 123.7549 59.5954 31.7631 181.6063 138 D 4.8487 7.9550 119.2220 55.4920 40.9762 177.0312 139 R 4.6625 7.6659 117.3784 56.4078 30.1131 176.0066 140 K 4.0132 8.0077 125.6606 55.7332 32.5188 178.2231 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 3 A 8.25 4.27 1.29 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 0.00 0.00 4 G 7.78 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 0.00 0.00 0.00 5 V 8.15 4.06 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 0.83 0.00 0.00 0.93 0.00 0.00 6 A 8.28 4.38 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 A 7.55 4.20 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 8 W 8.71 4.64 0.00 3.51 3.41 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 9 L 7.70 4.09 0.00 1.93 1.74 0.93 0.90 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 10 P 0.00 4.19 0.00 1.92 2.14 0.00 3.47 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 1.54 1.80 0.00 11 F 7.56 4.36 0.00 3.32 3.13 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 12 A 8.12 4.25 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 13 R 8.40 3.85 0.00 1.80 1.99 0.00 3.28 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 14 A 8.30 4.17 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 15 A 8.09 4.24 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 16 A 7.71 3.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 6.54 3.68 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 1.23 0.73 0.91 0.00 0.00 18 G 7.50 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.24 4.56 0.00 3.51 2.88 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 0.00 0.00 0.00 0.00 20 M 9.26 3.28 0.00 2.24 1.58 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.09 0.00 *37 R 8.70 4.42 0.00 1.85 1.92 0.00 3.20 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 38 Q 7.77 4.94 0.00 2.04 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.69 0.00 0.00 0.00 0.00 0.00 2.19 1.88 0.00 39 D 8.51 5.01 0.00 2.51 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 40 E 8.70 5.11 0.00 2.05 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 2.36 2.40 0.00 41 L 8.55 4.73 0.00 1.34 1.36 0.79 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 42 I 9.02 4.62 2.18 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.84 1.07 0.00 0.00 43 V 8.54 4.62 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 1.06 0.00 0.00 1.00 0.00 0.00 44 L 9.54 5.16 0.00 1.69 1.77 1.11 0.59 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 45 N 9.45 4.79 0.00 2.89 3.02 0.00 0.00 6.42 7.75 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 46 V 8.80 4.31 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 0.80 0.00 0.00 0.02 0.00 0.00 47 S 8.69 3.74 0.00 4.23 4.21 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 48 G 7.76 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 49 R 7.98 3.67 0.00 1.76 1.38 0.00 3.17 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 50 R 8.12 4.64 0.00 1.63 1.88 0.00 3.19 0.00 0.00 3.22 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 51 F 9.06 4.38 0.00 3.11 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 52 Q 8.60 5.13 0.00 1.84 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 53 T 8.45 4.57 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 1.24 0.00 0.00 54 W 8.66 4.90 0.00 3.56 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 55 R 9.55 3.99 0.00 2.14 2.07 0.00 3.18 0.00 0.00 3.48 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.74 0.00 56 T 8.23 4.08 4.28 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 1.28 0.00 0.00 57 T 8.08 4.01 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 1.41 0.00 0.00 58 L 8.18 4.25 0.00 1.88 1.67 0.75 0.32 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 59 E 7.87 4.15 0.00 2.10 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 0.00 2.40 2.53 0.00 60 R 7.60 4.09 0.00 2.15 2.14 0.00 3.33 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.56 0.00 61 Y 7.75 4.44 0.00 2.79 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 62 P 0.00 4.70 0.00 2.25 2.25 0.00 3.94 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.92 0.00 63 D 8.86 4.93 0.00 3.01 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 64 T 6.77 4.58 4.45 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 1.23 0.00 0.00 65 L 7.94 3.60 0.00 1.75 1.63 0.34 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.93 3.96 0.00 1.24 1.42 0.55 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.27 4.45 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 0.00 68 S 7.60 5.11 0.00 4.05 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 69 T 8.40 4.16 4.26 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 1.25 0.00 0.00 70 E 8.39 4.16 0.00 2.20 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 0.00 2.76 2.72 0.00 71 K 8.00 4.32 0.00 2.17 2.32 0.00 0.61 0.00 0.00 1.45 0.00 0.00 2.68 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.44 1.53 7.81 72 E 8.57 4.17 0.00 2.21 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 2.21 2.32 0.00 73 F 8.39 4.66 0.00 3.26 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 74 F 8.85 4.86 0.00 3.16 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 75 F 8.34 4.46 0.00 2.81 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 76 N 7.59 4.53 0.00 2.56 2.39 0.00 0.00 6.64 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 77 E 8.98 3.85 0.00 1.93 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 2.31 2.44 0.00 78 D 7.56 4.43 0.00 2.61 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 0.00 0.00 0.00 0.00 79 T 7.77 3.75 4.28 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 1.08 0.00 0.00 80 K 7.45 3.60 0.00 2.00 1.85 0.00 1.88 0.00 0.00 2.02 0.00 0.00 3.26 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.51 7.81 81 E 6.68 4.77 0.00 2.25 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 2.14 2.37 0.00 82 Y 8.58 4.71 0.00 3.25 2.99 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 83 F 8.95 5.28 0.00 2.94 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 84 F 8.34 4.91 0.00 2.82 2.86 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 85 D 8.77 4.89 0.00 2.98 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 86 R 7.41 4.40 0.00 1.87 2.03 0.00 3.16 0.00 0.00 2.41 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.71 0.00 87 D 8.35 4.48 0.00 2.80 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.34 0.00 2.37 2.47 0.00 3.90 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 89 E 8.62 4.19 0.00 2.18 2.27 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 2.57 2.57 0.00 90 V 9.58 3.69 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 1.07 0.00 0.00 1.12 0.00 0.00 91 F 7.85 3.34 0.00 3.02 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 92 R 8.16 3.97 0.00 2.34 2.09 0.00 3.33 0.00 0.00 3.68 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.06 0.00 93 C 8.25 4.14 0.00 3.12 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 94 V 7.41 3.33 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 0.00 0.00 0.14 0.00 0.00 0.49 0.00 0.00 95 L 7.50 3.72 0.00 1.33 1.49 0.70 0.82 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 96 N 8.52 4.38 0.00 3.05 2.94 0.00 0.00 6.75 7.87 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 97 F 8.13 4.51 0.00 2.85 3.14 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 98 Y 8.20 3.90 0.00 3.06 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 99 R 7.63 4.25 0.00 1.98 1.91 0.00 3.23 0.00 0.00 3.36 8.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.90 0.00 100 T 7.11 4.26 4.25 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 1.24 0.00 0.00 101 G 8.61 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 0.00 0.00 0.00 102 K 7.56 4.27 0.00 1.69 1.59 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.37 7.81 103 L 8.67 4.73 0.00 1.69 1.48 0.81 0.66 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 0.00 104 H 8.86 4.94 0.00 3.10 3.20 0.00 5.74 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Y 8.48 4.14 0.00 2.78 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 0.00 106 P 0.00 3.80 0.00 0.71 1.72 0.00 3.02 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 1.21 1.58 0.00 107 R 8.00 3.86 0.00 1.85 1.85 0.00 3.21 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 108 Y 8.00 4.63 0.00 2.77 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 0.00 109 E 6.68 4.10 0.00 1.40 1.81 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 2.23 2.11 0.00 110 C 8.28 4.40 0.00 3.04 2.85 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 0.00 111 I 8.62 3.83 1.84 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.75 0.82 0.00 0.00 112 S 8.18 4.09 0.00 3.90 3.91 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 0.00 113 A 7.66 4.07 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 4.48 0.00 3.11 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 0.00 115 D 8.16 4.19 0.00 2.78 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 0.00 116 D 7.94 4.43 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 0.00 117 E 7.69 3.97 0.00 1.95 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 2.48 2.59 0.00 118 L 7.66 3.91 0.00 1.64 1.67 0.16 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.35 3.95 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 0.00 120 F 7.71 3.99 0.00 2.77 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 0.00 121 Y 7.84 4.29 0.00 2.96 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 0.00 122 G 7.53 3.77 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 0.00 0.00 0.00 123 I 7.34 4.11 1.57 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.04 0.31 0.00 0.00 124 L 8.38 4.11 0.00 1.56 1.49 0.88 1.04 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 0.00 125 P 0.00 3.84 0.00 2.04 2.09 0.00 3.79 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 126 E 7.63 4.54 0.00 1.96 1.85 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 2.15 2.25 0.00 127 I 7.61 4.16 1.65 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 1.24 0.61 1.04 0.00 0.00 128 I 6.80 3.94 1.71 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.87 0.91 0.00 0.00 129 G 8.48 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 0.00 0.00 0.00 130 D 8.56 4.48 0.00 2.65 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 0.00 131 C 8.15 4.34 0.00 3.18 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 0.00 132 C 8.05 4.87 0.00 3.03 3.14 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 *133 Y 8.02 4.38 0.00 2.33 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 0.00 134 E 8.09 4.25 0.00 2.02 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 2.51 2.37 0.00 135 E 8.21 4.15 0.00 2.14 2.26 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 2.47 2.38 0.00 136 Y 8.55 3.77 0.00 2.77 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 0.00 137 K 7.82 4.03 0.00 1.85 1.76 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.35 7.81 138 D 7.95 4.85 0.00 2.63 2.76 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 0.00 0.00 0.00 139 R 7.67 4.66 0.00 1.89 1.93 0.00 3.08 0.00 0.00 3.46 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.54 0.00 140 K 8.01 4.01 0.00 1.76 1.55 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.27 1.21 7.81 * Residues marked with a * may have inaccurate shift predictions.