NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.4574 8.3101 122.1379 54.0879 33.4072 175.4442 5 A 4.0519 8.8697 127.9447 51.2625 18.9467 175.7300 *6 H 4.9125 9.0719 117.8732 52.3304 32.8148 171.9380 7 R 4.4330 8.5025 123.1214 55.2222 30.6531 176.7200 8 L 4.3830 8.5755 123.6868 55.0883 42.4993 177.4546 9 S 4.5133 9.7411 118.1838 57.3632 64.9813 175.0318 10 A 4.0399 8.7860 123.5888 55.8594 17.9220 180.3617 11 E 3.9458 8.0510 116.3575 61.3862 29.9793 181.5805 12 E 4.1911 8.1048 119.9654 59.1677 29.4666 179.7534 13 R 3.8980 8.1953 118.1842 59.4921 29.9866 178.9329 14 D 4.3994 7.8597 116.5976 56.6737 40.7770 177.8873 15 Q 4.2230 7.6154 118.8708 57.8321 29.5491 176.7672 16 L 4.4091 8.3588 118.2230 55.7726 42.5688 178.3056 17 L 4.2292 8.0348 119.1695 56.3991 41.7797 176.9594 18 P 4.2649 0.0000 0.0000 66.0691 31.0596 178.1679 19 N 4.4156 8.1039 112.8860 56.2658 38.7669 177.0360 20 L 4.3152 7.7635 120.0133 57.7869 41.8799 179.4169 21 R 4.8813 8.7840 119.5902 58.7893 29.7676 178.8678 22 A 4.1777 8.0798 119.6682 54.1733 18.2605 178.4931 23 V 4.2213 7.4468 109.3576 61.5534 31.9788 176.8251 24 G 3.8692 8.0577 108.8922 44.8064 0.0000 174.7952 25 W 4.5003 8.1493 120.5259 56.6383 30.5417 175.0523 26 N 5.4888 9.3827 120.9093 51.3936 42.3575 173.7668 27 E 4.7546 8.8886 121.6188 56.2958 30.4660 176.7228 28 L 4.3036 9.0362 126.2876 55.2148 42.9442 177.7481 29 E 4.3998 9.4337 118.4562 58.0663 29.7278 175.2964 30 G 3.5945 7.9511 114.1807 44.4519 0.0000 172.1795 31 R 4.4999 7.3768 119.1786 55.1421 32.7637 174.3705 32 D 4.5582 8.5235 124.0934 53.2141 40.1112 174.4934 33 A 4.7634 7.7212 125.6608 50.9292 22.9992 174.3504 34 I 5.2494 8.5795 112.3987 59.3655 41.0055 174.5268 35 F 5.6969 9.7628 125.3098 57.0041 43.3605 173.1749 36 K 3.9371 7.5639 123.9161 55.0022 35.6917 174.1770 37 Q 4.5300 7.6935 125.4048 54.4446 30.3654 174.9368 38 F 4.5737 9.5345 124.3282 56.4186 42.6941 174.5986 *39 H 5.1383 8.1032 119.4944 53.4427 31.4584 171.9098 40 F 4.8136 8.9468 123.5314 54.9466 42.0663 176.4931 41 K 4.1804 8.8879 121.1030 57.6155 31.8637 174.5148 42 D 4.2338 7.4197 116.3677 51.0383 42.0956 175.3684 43 F 4.2128 7.7787 120.8439 60.6437 39.2214 176.4596 44 N 4.1010 8.1584 116.4427 56.8654 38.6239 176.9238 45 R 3.7070 8.2529 118.9650 58.9668 30.1782 178.7736 46 A 3.0451 7.5102 120.5638 54.9521 18.2841 179.4569 47 F 3.6855 8.2342 119.3067 60.5429 39.4197 177.8561 48 G 3.3791 7.5820 105.7209 47.4319 0.0000 175.4349 49 F 4.0353 8.0229 123.4599 61.3740 39.3485 177.1710 50 M 3.6746 7.5423 118.1358 58.2249 31.5430 178.9807 51 S 3.8828 7.6238 115.5858 61.5231 63.0010 176.9836 52 R 3.9341 7.6457 120.3599 59.2270 29.7111 179.3364 53 V 3.7087 7.7004 117.9433 65.7055 31.5898 177.9775 54 A 3.9674 8.5216 121.1457 55.1213 18.2411 179.5473 55 L 3.8942 7.8911 117.5099 58.0640 41.6396 179.6421 56 Q 3.6544 7.8583 118.6981 58.7196 28.8051 177.9796 57 A 4.0578 7.8064 123.6185 54.5434 18.1134 179.4194 58 E 3.9512 7.7450 115.8417 58.9710 29.6402 179.0018 59 K 4.0017 7.6764 119.2280 59.0239 32.4085 178.0995 60 L 4.2273 7.8151 116.2578 53.5623 42.5727 175.7028 61 D 4.3053 7.8381 117.6621 55.1028 40.1675 173.3200 62 H 4.7125 7.5932 116.3728 54.7680 32.5961 171.1296 63 H 4.7258 8.4750 123.7517 53.2209 31.1303 172.2800 64 P 4.5047 0.0000 0.0000 62.1251 33.2358 175.1239 65 E 4.7879 8.7953 120.7509 54.6011 30.9757 175.2335 66 W 6.0427 9.1181 121.0885 54.7538 31.7807 174.1543 67 F 5.1433 9.6474 124.1507 56.7103 41.7388 173.6582 68 N 5.7771 7.8215 122.4248 51.2944 42.3945 174.1839 69 V 4.1381 7.8721 124.4748 60.9431 35.0404 176.1069 70 Y 3.6922 9.0367 128.4617 58.8137 38.6421 171.0959 71 N 4.7761 9.5547 119.0545 53.3047 38.7746 175.0072 72 K 5.1642 8.2197 123.7184 53.7893 34.9676 180.5874 73 V 4.9748 9.0402 123.5292 61.1637 34.9231 173.5758 74 H 5.5527 9.8938 125.9238 54.2591 31.2935 173.5832 75 I 5.3216 8.6771 124.0782 59.8811 40.5548 174.6169 76 T 5.5398 9.4901 123.3469 61.8728 71.8696 173.0081 77 L 5.1992 9.3159 125.7221 53.1931 44.9849 175.5453 78 S 4.9550 8.5483 115.8732 57.9297 65.8535 173.4734 79 T 4.5846 8.5535 120.8185 62.1077 69.9501 175.3278 80 H 4.0689 9.0830 126.9287 59.1508 30.3446 176.5821 81 E 3.9470 8.4153 118.8996 58.7264 29.3250 176.9379 82 C 4.5982 7.9031 109.3728 56.6342 30.5966 173.4851 83 A 3.6597 7.7357 121.4233 52.1101 16.1061 176.2556 84 G 3.9589 7.1931 109.0186 45.1875 0.0000 171.2948 85 L 4.5507 7.9790 119.6527 54.7129 42.1954 176.8814 86 S 4.9413 9.0252 118.6342 56.2502 66.4994 175.2338 87 E 3.9968 8.6388 118.2883 61.2195 29.1266 176.2502 88 R 3.9639 7.6949 116.9436 59.5665 29.9493 178.8459 89 D 4.3476 7.8738 118.7928 57.1535 40.8404 178.8337 90 I 3.5228 7.5145 119.8542 64.3460 37.2055 178.0879 91 N 4.2979 8.2182 117.4013 56.3016 38.3914 177.3323 92 L 3.9664 7.9574 121.4892 57.9398 42.1585 178.7842 93 A 3.8381 7.9925 120.8991 55.2375 18.0547 179.8360 94 S 4.1402 8.1136 113.6597 61.5278 62.8558 176.7347 95 F 4.0591 8.3379 123.4092 61.3576 39.1314 177.0916 96 I 3.8299 8.4492 119.9045 64.5881 36.7475 178.0871 97 E 4.2454 8.5354 119.2120 59.7529 29.1448 179.4916 98 Q 3.9855 7.5928 116.4375 59.0175 29.1536 178.8417 99 V 3.6299 7.6140 119.0048 65.7361 31.4028 177.7642 100 A 4.0645 8.4057 120.7615 55.4808 18.0512 179.8611 101 V 3.8878 7.6445 111.0798 63.9769 31.7785 178.4767 102 S 4.6676 7.5934 116.8569 60.2836 62.3857 179.3335 103 M 4.5372 7.7811 127.0908 56.5355 32.3531 175.4323 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 4 K 8.31 4.46 0.00 1.79 1.68 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.02 7.81 5 A 8.87 4.05 1.28 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 0.00 0.00 *6 H 9.07 4.91 0.00 2.87 2.78 0.00 7.21 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 7 R 8.50 4.43 0.00 1.68 1.89 0.00 3.36 0.00 0.00 3.43 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 8 L 8.58 4.38 0.00 1.50 1.59 0.89 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 9 S 9.74 4.51 0.00 3.85 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 10 A 8.79 4.04 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 8.05 3.95 0.00 1.99 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 2.31 1.97 0.00 12 E 8.10 4.19 0.00 2.13 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 2.32 2.34 0.00 13 R 8.20 3.90 0.00 2.00 1.98 0.00 3.18 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 1.81 0.00 14 D 7.86 4.40 0.00 2.83 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 15 Q 7.62 4.22 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 16 L 8.36 4.41 0.00 1.62 1.66 0.89 1.03 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 8.03 4.23 0.00 1.85 1.72 0.94 0.82 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 18 P 0.00 4.26 0.00 2.16 2.14 0.00 3.55 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.22 0.00 19 N 8.10 4.42 0.00 2.70 2.91 0.00 0.00 6.93 7.85 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 20 L 7.76 4.32 0.00 1.82 1.63 0.64 0.79 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 21 R 8.78 4.88 0.00 2.02 2.04 0.00 3.18 0.00 0.00 3.32 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.78 0.00 22 A 8.08 4.18 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.45 4.22 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 0.77 0.00 0.00 1.34 0.00 0.00 24 G 8.06 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 25 W 8.15 4.50 0.00 3.39 3.20 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 26 N 9.38 5.49 0.00 2.72 2.74 0.00 0.00 6.78 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 27 E 8.89 4.75 0.00 1.91 1.93 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 2.37 2.41 0.00 28 L 9.04 4.30 0.00 1.73 1.60 0.94 0.61 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 29 E 9.43 4.40 0.00 1.96 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 2.13 1.84 0.00 30 G 7.95 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.38 4.50 0.00 1.75 1.77 0.00 3.26 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 32 D 8.52 4.56 0.00 2.81 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 33 A 7.72 4.76 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 34 I 8.58 5.25 2.22 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.09 0.99 0.00 0.00 35 F 9.76 5.70 0.00 3.18 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 36 K 7.56 3.94 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 2.13 0.00 0.00 0.00 0.00 0.30 0.40 7.81 37 Q 7.69 4.53 0.00 1.66 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.49 0.00 0.00 0.00 0.00 0.00 1.73 2.09 0.00 38 F 9.53 4.57 0.00 2.90 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 0.00 0.00 0.00 *39 H 8.10 5.14 0.00 2.63 2.77 0.00 7.14 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.95 4.81 0.00 2.80 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 41 K 8.89 4.18 0.00 1.77 1.73 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.00 7.81 42 D 7.42 4.23 0.00 2.79 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 7.78 4.21 0.00 2.83 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 44 N 8.16 4.10 0.00 2.81 2.92 0.00 0.00 7.24 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 8.25 3.71 0.00 1.78 1.88 0.00 3.22 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 46 A 7.51 3.05 1.28 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 0.00 0.00 47 F 8.23 3.69 0.00 1.77 2.48 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 48 G 7.58 3.38 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 0.00 49 F 8.02 4.04 0.00 2.44 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 50 M 7.54 3.67 0.00 1.17 1.29 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 2.43 1.36 0.00 51 S 7.62 3.88 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 52 R 7.65 3.93 0.00 1.95 2.03 0.00 3.10 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 53 V 7.70 3.71 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 0.77 0.00 0.00 0.50 0.00 0.00 54 A 8.52 3.97 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 55 L 7.89 3.89 0.00 1.85 1.68 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 7.86 3.65 0.00 1.35 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.77 0.00 57 A 7.81 4.06 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 58 E 7.74 3.95 0.00 2.07 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 0.00 2.35 2.46 0.00 59 K 7.68 4.00 0.00 1.65 1.82 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.40 7.81 60 L 7.82 4.23 0.00 1.51 1.58 0.73 0.87 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 61 D 7.84 4.31 0.00 2.74 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 62 H 7.59 4.71 0.00 3.09 2.97 0.00 5.88 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.48 4.73 0.00 3.00 3.03 0.00 5.94 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 64 P 0.00 4.50 0.00 1.48 1.60 0.00 3.25 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 65 E 8.80 4.79 0.00 2.23 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 2.29 2.26 0.00 66 W 9.12 6.04 0.00 3.44 3.17 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 67 F 9.65 5.14 0.00 3.32 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 68 N 7.82 5.78 0.00 2.51 2.37 0.00 0.00 7.11 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 7.87 4.14 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 0.88 0.00 0.00 0.99 0.00 0.00 70 Y 9.04 3.69 0.00 3.13 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 71 N 9.55 4.78 0.00 2.99 2.63 0.00 0.00 5.92 7.85 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 72 K 8.22 5.16 0.00 1.46 1.69 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.28 1.22 7.81 73 V 9.04 4.97 2.46 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 1.21 0.00 0.00 1.15 0.00 0.00 74 H 9.89 5.55 0.00 3.50 3.54 0.00 5.61 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.68 5.32 2.22 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.24 1.24 0.00 0.00 76 T 9.49 5.54 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 1.45 0.00 0.00 77 L 9.32 5.20 0.00 1.53 1.71 0.72 0.61 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 78 S 8.55 4.95 0.00 3.90 3.72 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 79 T 8.55 4.58 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 80 H 9.08 4.07 0.00 3.23 3.32 0.00 5.89 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.42 3.95 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 2.30 2.33 0.00 82 C 7.90 4.60 0.00 3.06 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 83 A 7.74 3.66 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 84 G 7.19 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 85 L 7.98 4.55 0.00 1.74 1.58 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 86 S 9.03 4.94 0.00 4.00 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 4.00 0.00 2.00 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 2.32 1.98 0.00 88 R 7.69 3.96 0.00 1.47 1.47 0.00 2.98 0.00 0.00 3.05 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 89 D 7.87 4.35 0.00 2.79 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 90 I 7.51 3.52 1.93 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.12 0.84 0.00 0.00 91 N 8.22 4.30 0.00 2.65 2.82 0.00 0.00 6.71 6.92 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 92 L 7.96 3.97 0.00 1.80 1.62 0.81 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.99 3.84 0.57 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 94 S 8.11 4.14 0.00 4.06 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 95 F 8.34 4.06 0.00 3.15 3.23 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 96 I 8.45 3.83 2.41 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.76 1.16 0.00 0.00 97 E 8.54 4.25 0.00 2.34 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 2.98 2.77 0.00 98 Q 7.59 3.99 0.00 1.88 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 99 V 7.61 3.63 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 1.09 0.00 0.00 0.40 0.00 0.00 100 A 8.41 4.06 1.36 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 0.00 101 V 7.64 3.89 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 0.77 0.00 0.00 1.05 0.00 0.00 102 S 7.59 4.67 0.00 3.74 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 0.00 103 M 7.78 4.54 0.00 1.68 1.96 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.73 0.00 * Residues marked with a * may have inaccurate shift predictions.