NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 E 4.3107 8.4449 116.7551 55.2052 32.2524 175.6705 26 D 4.6676 7.9028 118.7998 51.9467 41.6596 174.1982 27 K 4.3764 8.2564 126.6097 55.8260 33.2159 176.2835 28 G 4.1078 7.5377 105.2201 43.9256 0.0000 171.7463 29 P 4.3419 0.0000 0.0000 61.4367 32.6209 175.9271 30 A 4.1147 8.1961 121.6640 51.8558 19.0687 178.2774 31 C 4.2209 8.8317 119.2039 60.2014 40.3994 175.7825 32 Y 4.0683 8.0232 115.6617 58.8929 37.7935 176.4963 33 Q 3.8639 7.7374 119.1415 56.6851 29.2849 175.7376 34 V 4.1550 7.1839 118.9089 61.2426 32.3910 176.4346 35 S 4.4062 8.7088 122.8047 57.9315 65.0090 174.8843 36 D 4.2805 8.5323 122.3522 57.6118 40.5526 178.7802 37 E 3.7293 8.0084 119.1208 59.4141 29.7856 178.7906 38 Q 3.9888 8.1370 117.8705 58.6666 28.7361 178.5536 39 A 3.9964 8.0809 121.9215 55.3501 18.4950 180.0005 40 R 3.1565 7.8398 116.6783 59.2613 29.8530 179.4710 41 T 3.8778 7.7796 115.7442 66.2647 68.2747 176.6535 42 F 3.7915 7.9357 122.1740 61.1841 39.4991 177.5604 43 V 3.6731 7.7735 117.9182 65.7527 31.2884 177.7711 44 K 3.8519 8.2781 119.3386 59.6552 32.0771 178.1189 45 N 4.1693 8.0041 117.2086 56.6876 38.7736 176.3163 46 D 4.0998 8.1743 119.5098 57.4520 41.3486 177.4741 47 Y 3.8398 8.5514 120.3431 60.7926 38.5737 178.1637 48 L 3.6237 7.7445 118.5139 57.4210 41.4692 179.0802 49 Q 3.8831 7.6022 119.4496 59.1390 29.0542 178.2388 50 R 3.2984 7.3919 118.6152 58.3215 29.7338 178.2428 51 M 3.4265 7.1769 118.6789 58.3765 31.6883 178.0582 52 K 3.7232 6.8540 117.3423 59.5137 32.3922 178.5862 53 R 4.5495 7.4838 115.0165 55.7378 31.0327 176.9162 54 W 4.8057 7.5192 119.4584 55.6915 28.3723 176.8439 55 D 4.3507 8.8069 124.2974 57.2989 40.5814 177.8728 56 N 4.2809 8.2312 117.0212 57.0606 38.8778 176.4391 57 D 4.4907 8.1474 119.6760 57.2133 41.0394 178.8188 58 V 3.6302 7.9782 118.9171 66.1653 31.3735 178.1293 59 Q 4.0908 8.1221 116.7802 58.7293 28.5600 178.4456 60 L 4.1010 7.5912 120.3011 58.2212 42.5914 178.6641 61 L 4.3501 8.3664 118.0509 54.7861 41.4903 178.2417 62 G 3.7085 9.1545 106.7497 45.9216 0.0000 173.1493 63 T 4.4859 7.3884 110.3535 60.8426 69.8851 173.3941 64 E 4.1701 8.7431 126.2264 58.1157 30.0962 177.3370 65 I 4.4467 7.2378 119.4091 58.2321 37.2184 173.0778 66 P 4.6518 0.0000 0.0000 62.1798 32.8830 176.5637 67 K 4.2673 8.9549 122.5572 56.1864 33.4771 175.4320 68 I 4.9581 8.1703 127.1950 59.5280 39.8489 174.8905 69 T 4.4111 8.2650 116.4456 59.5882 71.3745 173.5096 70 W 5.2740 8.7385 125.1253 56.2583 30.7692 175.0486 71 E 4.8414 8.6830 121.4552 53.9521 32.3802 175.7687 72 K 4.0182 8.5479 122.0217 56.5701 32.5562 176.1062 73 I 4.0704 8.3188 127.6622 60.7489 37.2201 175.1223 74 E 4.3894 8.7504 125.9865 55.3969 30.2528 176.2568 75 R 4.6836 8.1831 122.3846 53.8827 32.8484 175.9364 76 S 4.2426 8.1495 115.5523 58.2926 62.8959 174.4509 77 L 4.1574 8.4917 128.3790 56.7947 42.3300 176.7406 78 T 4.5741 7.3075 107.0051 60.5654 71.3768 173.0886 79 D 4.3247 8.5494 119.7175 55.3928 38.3708 176.3739 80 V 3.5288 7.7359 119.9891 66.1924 31.8634 177.3302 81 E 3.1742 7.7624 116.4248 57.7908 29.3189 176.7725 82 D 4.5875 7.5217 117.1419 54.0776 41.9872 176.1051 83 E 4.0096 7.6728 120.1441 56.9109 29.8101 176.3893 84 K 4.3826 8.6227 124.1799 56.7516 33.7851 175.9321 85 T 4.8201 7.4850 107.7024 59.6736 71.7378 173.2065 86 L 4.6405 8.6341 124.9099 53.0681 44.0191 175.1228 87 L 4.7501 8.5434 126.1493 54.2589 43.2910 176.0481 88 V 4.5485 9.4567 127.9100 60.4758 33.2615 172.1862 89 P 5.2561 0.0000 0.0000 62.3669 33.2356 175.0657 90 F 5.2455 8.4613 115.6884 56.0004 41.6507 172.9171 91 K 4.9123 8.8065 119.8729 55.1754 34.3552 175.3248 92 A 5.2491 8.9872 125.5279 50.1305 21.8043 174.7210 93 E 5.0439 9.4962 123.9566 54.5432 32.8414 175.4222 94 G 4.4229 8.8212 115.4024 43.3459 0.0000 170.1500 95 P 4.3542 0.0000 0.0000 65.1658 31.2846 177.1407 96 D 4.7934 7.7674 114.8475 53.8366 41.8159 175.9906 97 G 4.1069 7.3471 106.5239 44.9704 0.0000 172.3808 98 K 5.0417 8.3372 120.0609 54.6314 35.4781 175.3997 99 R 4.5566 8.5949 124.9818 55.0815 33.9035 173.3542 100 M 4.4459 8.3826 125.9345 55.3586 33.3025 174.7334 101 Y 4.4558 8.4315 122.7504 56.2895 42.3604 174.2992 102 Y 4.8183 8.7362 120.7074 56.0296 39.8577 173.9467 103 G 3.9631 9.2693 112.3312 46.1712 0.0000 170.4908 104 M 4.7866 9.5515 128.2472 54.0360 32.7807 174.4736 105 Y 4.7471 8.9420 126.4593 57.6336 39.8382 174.1930 106 H 4.5871 9.0408 126.4863 54.4560 28.1815 175.6963 107 C 2.8524 7.8695 120.8069 59.6027 38.9779 176.6904 108 E 4.1402 7.8511 117.6537 58.8401 29.1623 177.6132 109 E 4.5415 7.8165 116.1963 56.0201 30.7716 176.5939 110 G 4.3607 8.5414 107.6178 44.6916 0.0000 171.6250 111 Y 5.3232 7.4281 115.9544 55.8142 42.5648 174.6587 112 V 5.1264 8.8705 118.4318 61.2706 34.5977 174.1810 113 E 5.0964 9.2086 125.1521 54.8187 33.4313 174.4436 114 Y 5.3241 8.5859 118.3692 56.2367 41.1938 175.6446 *115 A 4.1968 8.8361 126.4294 52.5150 19.0491 175.9732 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 25 E 8.44 4.31 0.00 2.01 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 2.13 1.91 0.00 26 D 7.90 4.67 0.00 2.72 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 27 K 8.26 4.38 0.00 1.63 1.84 0.00 2.00 0.00 0.00 1.81 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.43 7.81 28 G 7.54 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 0.00 0.00 0.00 29 P 0.00 4.34 0.00 2.03 1.97 0.00 3.66 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.88 0.00 30 A 8.20 4.11 1.23 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 0.00 0.00 0.00 31 C 8.83 4.22 0.00 3.08 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 32 Y 8.02 4.07 0.00 3.03 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 33 Q 7.74 3.86 0.00 1.83 1.95 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 1.71 1.27 0.00 34 V 7.18 4.15 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 0.85 0.00 0.00 0.80 0.00 0.00 35 S 8.71 4.41 0.00 4.07 3.95 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 36 D 8.53 4.28 0.00 2.64 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 37 E 8.01 3.73 0.00 1.95 1.88 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 2.31 2.31 0.00 38 Q 8.14 3.99 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 39 A 8.08 4.00 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 40 R 7.84 3.16 0.00 1.22 0.66 0.00 2.53 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.10 0.00 41 T 7.78 3.88 4.34 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 1.20 0.00 0.00 42 F 7.94 3.79 0.00 3.06 2.55 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 0.00 43 V 7.77 3.67 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 1.00 0.00 0.00 1.01 0.00 0.00 44 K 8.28 3.85 0.00 2.37 2.00 0.00 1.87 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.46 7.81 45 N 8.00 4.17 0.00 2.71 2.66 0.00 0.00 6.96 8.54 0.00 0.00 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 D 8.17 4.10 0.00 2.61 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 47 Y 8.55 3.84 0.00 3.10 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 48 L 7.74 3.62 0.00 1.61 1.57 0.87 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.60 3.88 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 50 R 7.39 3.30 0.00 0.93 0.80 0.00 3.38 0.00 0.00 3.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.39 0.00 51 M 7.18 3.43 0.00 1.73 1.23 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 52 K 6.85 3.72 0.00 1.64 1.78 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.33 7.81 53 R 7.48 4.55 0.00 1.79 1.99 0.00 3.30 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.75 0.00 54 W 7.52 4.81 0.00 3.36 3.01 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 0.00 0.00 0.00 0.00 55 D 8.81 4.35 0.00 2.73 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 56 N 8.23 4.28 0.00 2.83 2.81 0.00 0.00 7.15 8.49 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 57 D 8.15 4.49 0.00 3.24 3.01 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 0.00 0.00 0.00 0.00 58 V 7.98 3.63 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 1.03 0.00 0.00 1.04 0.00 0.00 59 Q 8.12 4.09 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.73 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 60 L 7.59 4.10 0.00 1.87 1.91 0.91 0.96 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 61 L 8.37 4.35 0.00 1.81 1.76 1.18 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 62 G 9.15 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 63 T 7.39 4.49 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 1.28 0.00 0.00 64 E 8.74 4.17 0.00 1.95 1.90 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 2.25 2.29 0.00 65 I 7.24 4.45 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.56 0.87 0.00 0.00 66 P 0.00 4.65 0.00 2.16 2.20 0.00 3.53 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 2.26 2.20 0.00 67 K 8.95 4.27 0.00 1.83 1.69 0.00 1.56 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.38 7.81 68 I 8.17 4.96 1.43 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.65 -0.37 0.00 0.00 69 T 8.27 4.41 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 1.15 0.00 0.00 70 W 8.74 5.27 0.00 3.24 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 71 E 8.68 4.84 0.00 1.96 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 2.31 2.38 0.00 72 K 8.55 4.02 0.00 1.76 1.78 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.49 7.81 73 I 8.32 4.07 2.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.67 0.99 0.00 0.00 74 E 8.75 4.39 0.00 1.99 1.91 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 2.31 2.37 0.00 75 R 8.18 4.68 0.00 1.78 1.83 0.00 3.22 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 76 S 8.15 4.24 0.00 3.78 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 77 L 8.49 4.16 0.00 1.62 1.67 0.92 0.89 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 78 T 7.31 4.57 4.22 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 1.20 0.00 0.00 79 D 8.55 4.32 0.00 2.85 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 80 V 7.74 3.53 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 0.96 0.00 0.00 0.94 0.00 0.00 81 E 7.76 3.17 0.00 1.68 1.56 0.00 0.00 0.00 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 1.67 0.00 82 D 7.52 4.59 0.00 2.57 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 83 E 7.67 4.01 0.00 1.94 1.84 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 2.35 2.25 0.00 84 K 8.62 4.38 0.00 1.76 1.76 0.00 1.64 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.57 1.32 7.81 85 T 7.48 4.82 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 0.81 0.00 0.00 86 L 8.63 4.64 0.00 1.64 1.66 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.54 4.75 0.00 1.69 1.65 1.07 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 88 V 9.46 4.55 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 1.14 0.00 0.00 1.06 0.00 0.00 89 P 0.00 5.26 0.00 2.27 2.12 0.00 3.71 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 90 F 8.46 5.25 0.00 2.80 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 91 K 8.81 4.91 0.00 1.71 1.73 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.33 1.33 7.81 92 A 8.99 5.25 1.48 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 0.00 0.00 0.00 93 E 9.50 5.04 0.00 2.00 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 2.38 0.00 94 G 8.82 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 0.00 0.00 0.00 0.00 95 P 0.00 4.35 0.00 2.06 2.13 0.00 3.85 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 2.03 2.11 0.00 96 D 7.77 4.79 0.00 2.66 2.69 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 97 G 7.35 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 0.00 0.00 0.00 98 K 8.34 5.04 0.00 1.66 1.62 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.41 7.81 99 R 8.59 4.56 0.00 1.81 1.56 0.00 2.96 0.00 0.00 2.54 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.34 0.00 100 M 8.38 4.45 0.00 1.92 1.81 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.50 0.00 101 Y 8.43 4.46 0.00 1.43 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 0.00 0.00 0.00 0.00 102 Y 8.74 4.82 0.00 2.93 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 0.00 103 G 9.27 3.96 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 0.00 0.00 0.00 104 M 9.55 4.79 0.00 1.87 2.23 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.69 0.00 105 Y 8.94 4.75 0.00 2.96 2.87 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 0.00 106 H 9.04 4.59 0.00 2.09 2.96 0.00 5.69 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 C 7.87 2.85 0.00 2.51 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 0.00 108 E 7.85 4.14 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 2.55 2.32 0.00 109 E 7.82 4.54 0.00 1.76 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 2.46 2.34 0.00 110 G 8.54 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.43 5.32 0.00 3.29 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 0.00 112 V 8.87 5.13 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 1.19 0.00 0.00 113 E 9.21 5.10 0.00 2.10 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 2.48 2.60 0.00 114 Y 8.59 5.32 0.00 3.03 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 *115 A 8.84 4.20 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 * Residues marked with a * may have inaccurate shift predictions.