NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4870 8.3049 120.3385 55.2739 33.7363 174.2093 2 S 4.7527 8.3303 117.1015 55.9122 65.4875 171.7219 3 H 4.6596 9.3806 124.9138 57.5442 31.1870 173.1979 4 T 5.3906 9.0656 119.1879 60.4428 71.1466 172.2330 5 I 5.0390 8.9740 128.7396 59.4244 40.6322 173.9895 6 L 5.2010 8.9942 128.8557 53.4231 44.4010 174.7255 7 L 5.3609 8.8792 126.7753 52.9801 44.2132 175.7936 8 V 4.9040 9.2317 123.8569 59.8704 34.8806 174.5688 9 Q 4.6954 9.1017 125.3578 53.6460 30.5514 173.5723 10 P 4.3738 0.0000 0.0000 64.9714 32.5226 176.4380 11 T 4.8112 7.6912 108.6933 59.5802 71.9758 174.2231 12 K 3.7916 8.7719 122.7223 57.4488 31.7551 175.6947 13 R 4.0544 7.7575 118.0275 55.8583 30.0515 175.0318 14 P 4.2860 0.0000 0.0000 66.0078 31.2146 178.0814 15 E 4.1829 8.1373 116.1690 57.8053 29.5451 177.7053 16 G 3.7335 7.9563 107.2659 46.6461 0.0000 174.1677 17 R 4.1214 7.5739 118.8307 57.5809 30.7151 175.7819 18 T 4.9397 9.4025 118.0835 60.6808 71.7667 171.4146 19 Y 5.5252 8.0306 119.7387 55.8724 41.3612 173.7631 20 A 4.7761 9.0714 120.8856 50.7947 23.2742 174.7472 21 D 5.4770 8.2660 117.6590 51.8849 42.6504 174.5272 22 Y 5.0980 9.1537 117.1842 56.4170 42.0773 176.3648 23 E 4.3398 9.9018 120.5736 58.2222 30.2264 177.3712 24 S 5.2823 7.6180 114.1681 56.2500 67.1346 175.1071 25 V 3.7145 8.4100 121.1785 66.3823 31.3423 177.7551 26 N 4.3198 8.1570 115.7810 56.1631 38.3276 176.9183 27 E 3.9507 8.1498 120.5104 59.0882 29.6479 178.1892 28 C 2.4500 7.9127 118.7780 62.4456 31.5894 175.5765 29 M 4.0188 8.1510 120.2291 58.4697 31.4423 178.6672 30 E 4.1077 8.3141 118.9116 59.1574 29.6180 179.3689 31 G 3.6850 8.0949 106.1677 47.9364 0.0000 175.6159 32 V 3.7217 7.9017 120.9162 66.2029 31.4270 178.0014 33 C 4.2997 7.9850 115.8253 62.6823 27.9941 176.2010 34 K 3.9876 8.3912 120.3778 59.4094 31.5669 178.9237 35 M 4.0487 8.2362 118.6038 58.9521 32.1230 177.7342 36 Y 3.3560 7.7088 119.2672 60.5096 38.9182 177.5718 37 E 3.6479 8.2381 119.7044 59.3771 29.4197 179.1672 38 E 4.0249 7.9708 117.9314 59.0228 29.7735 178.4276 39 H 4.0823 8.0235 118.4001 59.4421 29.9169 177.3971 40 L 3.8421 7.9608 123.3773 57.9388 41.0541 180.4298 41 K 3.9904 7.8181 125.5496 60.5219 31.8088 182.7724 42 R 4.1660 7.8546 121.1174 62.0119 29.3582 179.8785 43 M 4.3710 7.8293 117.7896 57.0275 33.9453 176.1808 44 N 5.0666 7.8356 115.2550 50.7155 39.1073 173.0383 45 P 4.2034 0.0000 0.0000 65.4575 32.0686 177.7274 46 N 4.8081 7.9742 112.1326 52.7531 38.7677 174.6262 47 S 4.4428 7.7490 114.2006 56.6998 63.6268 172.1839 48 P 4.1955 0.0000 0.0000 66.2411 31.5071 177.0105 49 S 4.3270 7.7301 119.8461 56.9401 63.3524 177.0502 50 I 4.2466 8.1083 121.4574 58.9198 34.7914 175.1419 51 T 4.6641 8.1612 123.1815 60.9827 70.7575 173.8106 52 Y 4.8564 7.5332 121.9312 55.7785 40.9547 173.8324 53 D 4.7553 8.4925 120.8033 51.9492 41.7778 177.2106 54 I 3.6941 7.9917 118.5388 63.7613 37.7865 177.5763 55 S 4.1042 7.9819 113.9312 61.3498 62.1436 176.0454 56 Q 4.0194 8.7358 121.0212 58.7364 28.4323 178.0647 57 L 3.0588 7.6870 120.9508 58.2715 42.0318 179.2470 58 F 4.6188 8.2389 117.4575 60.6987 38.8366 177.5609 59 D 4.3933 8.4747 118.8234 57.1642 40.3705 178.4411 60 F 4.0803 8.0780 120.4563 61.3115 39.6662 177.0179 61 I 3.6361 8.0547 119.5088 64.4215 36.7213 177.9056 62 D 4.3137 7.8681 118.3691 57.7054 40.7944 178.5064 63 D 4.3393 7.8798 116.6280 55.8900 41.5585 176.7293 64 L 4.0727 6.8102 118.8414 54.5126 42.1754 177.0018 65 A 4.1660 8.2109 124.8923 55.2163 18.9781 177.4581 66 D 4.5712 8.2219 112.0861 53.5737 45.3963 174.7996 67 L 5.1159 8.3506 126.0737 54.2339 45.1767 174.2438 68 S 5.0383 9.1527 120.2127 57.4007 67.2985 172.3668 69 C 5.4992 9.1074 114.0144 56.5688 33.4759 172.7658 70 L 5.2951 9.2122 120.0008 53.0214 44.8069 175.6863 71 V 5.0013 8.9426 123.5162 61.1258 34.7086 173.8293 72 Y 4.0604 9.0661 129.7395 57.3631 40.2179 174.1677 73 R 4.3762 8.1180 125.7531 54.0485 31.6924 176.7644 74 A 3.6565 8.4748 128.0627 55.0534 18.7074 178.4019 75 D 4.3623 7.8935 114.5257 57.5028 41.0482 177.6625 76 T 4.2710 7.4238 107.1578 61.6895 69.2306 175.0889 77 Q 3.1011 7.2934 118.3346 55.7077 25.8790 176.7876 78 T 4.8976 6.8780 111.1935 60.7561 73.4793 172.2819 79 Y 5.0286 8.5366 118.3182 56.3018 40.1735 175.4144 80 Q 4.3345 9.0839 126.7468 54.2393 30.6519 172.8621 81 P 4.9488 0.0000 0.0000 62.5758 33.0866 174.9188 82 Y 4.7601 8.4031 118.5839 56.6064 42.9458 174.8415 83 N 4.8869 8.7226 120.6631 51.7412 40.3124 175.6346 84 K 3.9508 8.7595 118.2409 60.0484 32.2738 178.3508 85 D 4.2963 8.1058 118.6425 56.9786 40.7708 178.4415 86 W 4.0193 8.2486 128.4792 60.4196 30.8209 177.7555 87 I 3.8025 8.0425 119.7074 64.6395 36.5250 178.6052 88 K 3.8206 7.8392 118.9204 59.1132 31.6873 179.1417 89 E 3.8538 7.8497 119.4698 59.1902 29.5786 178.9446 90 K 3.6659 7.4052 118.4007 59.4494 32.0001 179.4394 91 I 3.7238 7.8688 120.0224 64.3521 36.9682 177.3823 92 Y 4.1669 8.4919 120.8365 61.1074 38.4414 178.6997 93 V 3.4122 8.0744 118.6013 65.7741 31.8009 177.4487 94 L 3.8658 7.7093 119.9366 58.5229 42.0551 179.1849 95 L 3.9928 8.4457 118.7397 57.2756 41.3876 179.6940 96 R 3.6429 7.8501 119.2777 59.2698 30.0349 178.1925 97 R 3.8437 7.9137 118.0772 59.6808 30.2240 178.5640 98 Q 3.9410 7.8631 116.5872 59.2129 28.5833 179.2401 99 A 3.9999 7.6590 122.0699 55.8486 18.4341 179.7530 100 Q 4.1591 8.0375 120.5232 61.3712 28.2091 181.2467 101 Q 4.3524 7.8270 121.1502 59.5212 28.3936 179.4002 102 A 4.6695 7.6629 121.0065 52.1210 19.9314 177.5282 *103 G 3.6736 8.1163 116.1290 47.1018 0.0000 173.4953 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 1 M 8.30 4.49 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.63 0.00 2 S 8.33 4.75 0.00 3.97 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 3 H 9.38 4.66 0.00 3.26 3.27 0.00 5.80 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 4 T 9.07 5.39 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 1.49 0.00 0.00 5 I 8.97 5.04 1.73 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 1.02 0.37 0.82 0.00 0.00 6 L 8.99 5.20 0.00 2.05 1.82 1.09 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.88 5.36 0.00 1.66 1.58 0.89 0.47 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 8 V 9.23 4.90 2.15 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 0.93 0.00 0.00 0.99 0.00 0.00 9 Q 9.10 4.70 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 10 P 0.00 4.37 0.00 2.03 2.07 0.00 3.98 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.00 0.00 11 T 7.69 4.81 4.23 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 1.21 0.00 0.00 12 K 8.77 3.79 0.00 1.79 1.82 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.04 7.81 13 R 7.76 4.05 0.00 1.87 1.87 0.00 3.13 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.90 0.00 14 P 0.00 4.29 0.00 2.26 2.31 0.00 3.75 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 15 E 8.14 4.18 0.00 1.97 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 0.00 2.32 2.37 0.00 16 G 7.96 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.57 4.12 0.00 1.83 1.98 0.00 3.12 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 18 T 9.40 4.94 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 1.23 0.00 0.00 19 Y 8.03 5.53 0.00 3.01 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 20 A 9.07 4.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.27 5.48 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 22 Y 9.15 5.10 0.00 2.87 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 23 E 9.90 4.34 0.00 2.03 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 0.00 2.41 2.49 0.00 24 S 7.62 5.28 0.00 4.08 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 25 V 8.41 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 1.35 0.00 0.00 1.14 0.00 0.00 26 N 8.16 4.32 0.00 2.79 2.85 0.00 0.00 6.76 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 27 E 8.15 3.95 0.00 2.11 2.04 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 2.59 2.44 0.00 28 C 7.91 2.45 0.00 2.90 3.04 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 29 M 8.15 4.02 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.94 0.00 30 E 8.31 4.11 0.00 2.18 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 2.34 2.43 0.00 31 G 8.09 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 32 V 7.90 3.72 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 1.14 0.00 0.00 1.01 0.00 0.00 33 C 7.98 4.30 0.00 3.24 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 34 K 8.39 3.99 0.00 2.00 1.91 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.50 7.81 35 M 8.24 4.05 0.00 2.41 2.20 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.83 0.00 36 Y 7.71 3.36 0.00 2.46 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 37 E 8.24 3.65 0.00 2.15 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 2.51 2.43 0.00 38 E 7.97 4.02 0.00 2.01 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 2.51 0.00 39 H 8.02 4.08 0.00 3.21 3.34 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.96 3.84 0.00 1.50 1.46 0.37 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.82 3.99 0.00 1.89 1.72 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.32 7.81 42 R 7.85 4.17 0.00 1.89 1.90 0.00 3.24 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 43 M 7.83 4.37 0.00 2.04 1.97 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 2.57 2.54 0.00 44 N 7.84 5.07 0.00 2.82 2.65 0.00 0.00 6.88 8.11 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 45 P 0.00 4.20 0.00 2.02 2.11 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.21 0.00 46 N 7.97 4.81 0.00 2.69 2.81 0.00 0.00 6.90 7.57 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 47 S 7.75 4.44 0.00 4.17 3.85 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 48 P 0.00 4.20 0.00 2.18 2.15 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 49 S 7.73 4.33 0.00 3.65 3.68 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 50 I 8.11 4.25 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 1.14 0.91 0.00 0.00 51 T 8.16 4.66 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 1.13 0.00 0.00 52 Y 7.53 4.86 0.00 3.18 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 53 D 8.49 4.76 0.00 2.86 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 54 I 7.99 3.69 1.71 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.87 0.79 0.00 0.00 55 S 7.98 4.10 0.00 3.95 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 56 Q 8.74 4.02 0.00 2.55 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.52 0.00 0.00 0.00 0.00 0.00 2.50 2.64 0.00 57 L 7.69 3.06 0.00 1.68 1.72 0.85 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 58 F 8.24 4.62 0.00 3.06 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 59 D 8.47 4.39 0.00 2.88 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 60 F 8.08 4.08 0.00 2.72 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 61 I 8.05 3.64 2.03 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.19 0.86 0.00 0.00 62 D 7.87 4.31 0.00 2.77 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 63 D 7.88 4.34 0.00 2.61 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 64 L 6.81 4.07 0.00 1.65 1.46 0.73 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.21 4.17 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 66 D 8.22 4.57 0.00 2.74 2.45 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 67 L 8.35 5.12 0.00 1.61 1.48 1.04 0.89 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 68 S 9.15 5.04 0.00 4.11 3.92 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 69 C 9.11 5.50 0.00 3.21 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 70 L 9.21 5.30 0.00 1.43 1.61 0.76 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.94 5.00 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 1.08 0.00 0.00 1.11 0.00 0.00 72 Y 9.07 4.06 0.00 2.56 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 73 R 8.12 4.38 0.00 1.39 1.62 0.00 3.49 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 74 A 8.47 3.66 1.27 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 0.00 0.00 75 D 7.89 4.36 0.00 2.54 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 76 T 7.42 4.27 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 1.14 0.00 0.00 77 Q 7.29 3.10 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.25 2.12 0.00 78 T 6.88 4.90 4.23 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 1.25 0.00 0.00 79 Y 8.54 5.03 0.00 2.86 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 80 Q 9.08 4.33 0.00 1.89 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.93 0.00 0.00 0.00 0.00 0.00 1.42 1.95 0.00 81 P 0.00 4.95 0.00 1.94 1.89 0.00 3.47 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 1.74 1.85 0.00 82 Y 8.40 4.76 0.00 2.38 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 0.00 0.00 0.00 83 N 8.72 4.89 0.00 2.83 3.01 0.00 0.00 5.85 6.46 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 84 K 8.76 3.95 0.00 2.01 1.84 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.50 7.81 85 D 8.11 4.30 0.00 2.77 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 86 W 8.25 4.02 0.00 3.42 3.40 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 87 I 8.04 3.80 2.13 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.15 0.97 0.00 0.00 88 K 7.84 3.82 0.00 1.62 0.85 0.00 1.45 0.00 0.00 1.30 0.00 0.00 2.13 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.93 1.37 7.81 89 E 7.85 3.85 0.00 2.00 1.64 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 2.25 2.21 0.00 90 K 7.41 3.67 0.00 1.47 1.52 0.00 1.17 0.00 0.00 1.18 0.00 0.00 2.43 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 91 I 7.87 3.72 2.24 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.69 1.09 0.00 0.00 92 Y 8.49 4.17 0.00 3.34 3.31 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 93 V 8.07 3.41 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 0.97 0.00 0.00 1.02 0.00 0.00 94 L 7.71 3.87 0.00 1.94 1.72 0.91 0.67 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 95 L 8.45 3.99 0.00 1.63 1.59 0.91 0.81 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 96 R 7.85 3.64 0.00 1.31 1.76 0.00 2.83 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 97 R 7.91 3.84 0.00 1.97 1.95 0.00 3.17 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.86 0.00 98 Q 7.86 3.94 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 99 A 7.66 4.00 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 0.00 100 Q 8.04 4.16 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 101 Q 7.83 4.35 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.55 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 102 A 7.66 4.67 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 *103 G 8.12 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 * Residues marked with a * may have inaccurate shift predictions.