NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 T 4.4634 8.1749 110.9483 61.4277 69.8428 175.1096 -4 E 5.3302 8.8546 115.5629 55.6762 30.7878 173.2042 -3 F 4.8678 9.0190 121.5573 56.5135 43.4261 173.5424 -2 K 4.0969 7.2231 125.1963 53.7556 36.1109 176.0411 -1 A 4.1803 7.3263 123.3414 51.8070 19.6634 177.4508 -4 G 4.9402 8.7646 104.1629 44.1762 0.0000 171.5042 -3 S 4.7178 9.0290 116.9573 57.1135 67.6261 172.3424 -2 A 4.0969 7.1731 128.5963 50.0555 22.1110 177.2411 -1 K 4.1803 7.3763 119.9414 55.5070 33.6634 176.2508 5 K 4.1250 8.1747 119.5713 59.5666 31.9937 178.7831 6 G 3.7117 8.1536 105.2468 47.6527 0.0000 175.3602 7 A 2.5800 7.6040 122.7870 54.6905 18.4542 179.6307 8 T 3.9177 7.6523 107.5363 64.1798 69.0180 176.7679 9 L 3.8826 7.8534 123.6482 57.9440 42.1392 178.3048 10 F 3.8626 8.2229 120.8595 61.3311 39.0012 177.1407 11 K 3.9329 7.7512 116.4989 59.8839 32.0328 179.2704 12 T 4.0604 7.8378 108.0735 63.7427 68.9164 175.8955 13 R 4.4940 7.9907 118.6611 55.9866 32.4294 176.7372 14 C 4.2565 7.6313 115.5674 59.9912 29.5627 175.8060 15 L 4.1131 7.1042 122.6486 57.3695 41.3157 178.5274 16 Q 3.7417 7.9281 118.3756 58.5641 29.2247 176.2061 17 C 4.8187 8.0634 115.2531 59.6340 30.8463 173.7281 18 H 5.3608 7.9756 115.0216 54.1564 33.1381 172.5698 19 T 4.8183 8.6313 110.2610 60.3915 71.4706 174.9509 20 V 4.1770 8.3357 114.0598 61.1877 34.1558 176.4254 21 E 4.1166 7.8566 118.1317 55.2745 30.2742 176.0281 22 K 3.9119 8.0391 122.5433 57.8103 32.5318 177.1434 23 G 3.8943 8.9870 114.1727 45.3445 0.0000 173.4065 24 G 3.8161 7.7017 108.5979 44.1337 0.0000 172.3711 25 P 4.5577 0.0000 0.0000 61.5571 32.7131 175.7352 26 H 4.6386 8.3592 116.3076 56.0765 30.2687 175.7032 27 K 4.6677 8.4716 122.0874 56.1812 32.3971 177.9791 28 V 3.7068 9.0398 126.2183 66.6541 31.3507 175.8142 29 G 3.9850 8.0155 106.6439 43.4344 0.0000 171.0704 30 P 4.4665 0.0000 0.0000 61.7657 32.2525 175.7844 31 N 4.4997 9.0756 120.2165 54.2494 39.6305 174.4407 32 L 4.4075 8.7748 124.3959 54.4383 42.2493 175.9296 33 H 4.0596 8.1619 119.5918 57.7086 30.0321 175.1050 34 G 3.9225 8.9804 113.5566 46.3214 0.0000 175.3792 35 I 3.4979 7.4300 122.4428 63.3912 38.0560 176.5546 36 F 4.5720 6.9336 116.6718 58.7683 38.8844 175.7324 37 G 3.9858 9.7432 115.2216 45.0932 0.0000 173.1766 38 R 4.5369 7.6194 119.8379 55.5334 32.1687 175.2237 39 H 5.1528 8.5794 120.2970 54.4870 30.4418 175.3401 40 S 4.2898 8.2072 115.7226 59.2984 63.5383 174.3789 41 G 2.3571 7.8321 108.1860 46.1960 0.0000 174.1514 42 Q 4.5365 7.8967 115.1068 54.7513 30.4237 175.8234 43 A 4.2413 8.1068 122.8361 51.9241 18.8732 177.3186 44 E 4.2888 8.7684 121.4468 57.1285 30.7461 177.0992 45 G 3.9889 9.1718 109.0903 45.5307 0.0000 172.1696 46 Y 4.3089 7.5710 119.4128 55.4349 40.9418 175.9603 47 S 4.3157 6.9111 121.8854 56.8508 61.0175 173.0896 48 Y 4.6737 8.0852 122.8345 57.1661 38.3850 176.5468 49 T 4.2865 8.4506 112.0342 61.4797 70.8227 175.2329 50 D 4.3895 8.7138 121.9192 57.6092 40.6841 178.7853 51 A 4.0317 8.0477 119.3489 55.3614 18.2431 178.7948 52 N 4.4196 8.1839 115.1414 56.9728 38.9360 177.0233 53 I 3.5364 7.3223 120.1277 64.3062 37.0168 178.1658 54 K 3.9851 7.5169 116.6144 57.8734 32.1855 178.7691 55 K 3.8968 7.6139 119.3267 56.9660 32.6730 175.8561 56 N 3.9290 7.4585 116.3123 53.9657 38.0599 174.2599 57 V 3.4102 7.0659 117.0276 62.6820 33.0213 174.6698 58 L 4.2511 7.9961 129.7143 53.5514 43.1016 175.7251 59 W 4.8337 8.6537 127.8313 56.1940 30.0851 175.4897 60 D 5.4561 8.8250 123.9367 50.3344 41.7786 176.2838 61 E 3.8032 8.7321 118.5664 59.6927 29.0092 179.2374 62 N 4.4216 9.0257 117.7954 55.8903 38.8144 176.8811 63 N 4.3958 8.4628 117.9801 56.9128 39.1205 176.2501 64 M 4.2271 8.1698 119.4240 58.9194 32.0330 178.1743 65 S 4.1365 7.5018 111.3162 61.4446 62.7575 175.7223 66 E 4.1358 7.8533 120.1055 59.2968 29.2085 178.3591 67 Y 4.0615 8.2628 119.8769 60.9542 38.9201 178.4700 68 L 4.0357 8.2052 119.3540 57.5926 41.1121 179.6940 69 T 4.3440 7.6774 117.7637 65.0418 69.1528 172.6679 70 N 4.4822 8.0919 114.0255 52.2117 41.2861 172.5478 71 P 3.8855 0.0000 0.0000 63.3457 32.1536 177.9464 *73 K 4.2694 8.0330 120.7806 56.7113 33.7853 176.4794 74 Y 4.0815 8.4524 118.6423 60.0100 39.0415 175.7513 75 I 4.4732 8.4967 122.6199 58.1969 37.5905 171.5158 76 P 4.5374 0.0000 0.0000 63.6361 31.7837 177.0904 77 G 4.0306 8.9982 111.4426 45.1831 0.0000 173.5243 78 T 4.1260 7.8259 114.5751 62.0661 67.8143 173.8763 79 K 4.3377 8.5862 125.3607 56.8647 33.0531 176.2568 80 M 4.1723 7.8714 119.9564 55.8700 31.6589 176.4664 81 A 4.4400 8.3048 132.5927 50.5542 17.3536 174.8915 82 F 4.8555 7.8381 121.0066 55.4130 42.7340 174.7321 83 G 3.3448 8.3141 117.5089 48.8227 0.0000 172.6600 84 G 4.0486 5.3800 102.3381 43.5294 0.0000 173.2595 85 L 4.6270 8.7299 121.4879 52.5362 42.2283 177.8707 86 K 4.1088 8.4770 124.0005 58.4393 32.7024 178.6876 87 K 4.3382 7.8843 119.2316 55.2257 33.5243 177.1068 88 E 4.0158 8.9327 125.0825 59.3352 29.5814 179.0532 89 K 4.0248 8.0268 118.3750 59.9342 32.5800 178.8250 90 D 4.3639 8.0400 119.5106 57.2910 40.8705 178.6214 91 R 4.0237 7.9953 118.4844 59.4394 30.1119 178.9019 92 N 4.7052 8.6746 116.4884 56.5036 38.6861 176.8997 93 D 4.4461 8.2051 120.2034 57.5205 41.0244 178.8034 94 L 4.1163 8.3633 120.7074 58.5102 42.1074 179.1399 95 I 3.9499 8.3922 120.0884 64.5348 36.4241 178.5100 96 T 3.9435 8.2268 116.7688 66.9144 68.3159 175.9854 97 Y 4.0112 8.0032 120.8374 60.5405 38.7591 177.9011 98 L 3.6737 8.4990 120.3101 57.5201 41.5599 178.9877 99 K 3.1448 8.1281 118.9193 59.5898 31.9940 178.4546 100 K 3.9765 7.2677 115.9458 59.3181 32.1818 178.9435 101 A 4.0334 7.6595 119.4106 53.9565 18.7062 178.3166 102 C 4.1488 7.9069 114.3330 59.8005 28.1690 173.5126 103 E 4.0863 7.7862 127.0246 56.2667 29.3324 175.6895 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 -5 T 8.17 4.46 4.59 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 1.43 0.00 0.00 -4 E 8.85 5.33 0.00 2.09 1.98 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 2.25 2.37 0.00 -3 F 9.02 4.87 0.00 3.02 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 -2 K 7.22 4.10 0.00 1.46 1.38 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.70 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.17 1.26 7.81 -1 A 7.33 4.18 1.22 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 0.00 0.00 0.00 -4 G 8.76 4.94 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 0.00 -3 S 9.03 4.72 0.00 3.77 3.97 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 -2 A 7.17 4.10 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 -1 K 7.38 4.18 0.00 1.60 1.50 0.00 0.61 0.00 0.00 1.78 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.31 7.81 5 K 8.17 4.13 0.00 1.87 2.05 0.00 1.61 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.79 1.58 7.81 6 G 8.15 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 7 A 7.60 2.58 0.97 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 0.00 0.00 8 T 7.65 3.92 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 1.17 0.00 0.00 9 L 7.85 3.88 0.00 1.96 1.79 0.94 0.85 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 10 F 8.22 3.86 0.00 3.07 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 11 K 7.75 3.93 0.00 1.76 1.85 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.62 7.81 12 T 7.84 4.06 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 1.22 0.00 0.00 13 R 7.99 4.49 0.00 1.67 1.99 0.00 3.40 0.00 0.00 3.28 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.80 0.00 14 C 7.63 4.26 0.00 1.23 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 0.00 0.00 0.00 0.00 15 L 7.10 4.11 0.00 1.67 1.73 1.17 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 7.93 3.74 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.62 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 17 C 8.06 4.82 0.00 2.74 2.71 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 18 H 7.98 5.36 0.00 2.93 3.24 0.00 5.57 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.63 4.82 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 20 V 8.34 4.18 1.80 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 0.04 0.00 0.00 0.73 0.00 0.00 21 E 7.86 4.12 0.00 2.07 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 2.34 2.22 0.00 22 K 8.04 3.91 0.00 1.16 1.53 0.00 1.61 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.41 7.81 23 G 8.99 3.89 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 0.00 0.00 0.00 24 G 7.70 3.82 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 0.00 0.00 0.00 25 P 0.00 4.56 0.00 2.20 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 1.98 1.98 0.00 26 H 8.36 4.64 0.00 3.29 3.41 0.00 5.64 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.47 4.67 0.00 1.83 1.04 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.50 7.81 28 V 9.04 3.71 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 0.79 0.00 0.00 0.93 0.00 0.00 29 G 8.02 3.98 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 0.00 0.00 0.00 30 P 0.00 4.47 0.00 1.77 0.91 0.00 3.46 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.13 0.00 31 N 9.08 4.50 0.00 2.99 2.77 0.00 0.00 6.96 7.78 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 32 L 8.77 4.41 0.00 1.62 1.45 0.81 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.16 4.06 0.00 3.21 3.22 0.00 6.06 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.98 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 0.00 0.00 0.00 35 I 7.43 3.50 1.68 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.74 0.10 0.00 0.00 36 F 6.93 4.57 0.00 3.22 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.74 3.99 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 0.00 0.00 0.00 38 R 7.62 4.54 0.00 1.98 1.98 0.00 3.14 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 39 H 8.58 5.15 0.00 2.96 3.08 0.00 5.95 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 40 S 8.21 4.29 0.00 4.03 3.61 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 41 G 7.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 7.90 4.54 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 43 A 8.11 4.24 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 44 E 8.77 4.29 0.00 2.17 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 2.32 2.36 0.00 45 G 9.17 3.99 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 0.00 0.00 0.00 46 Y 7.57 4.31 0.00 2.35 2.35 0.00 0.00 0.00 0.00 0.00 0.00 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 6.91 4.32 0.00 3.68 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 48 Y 8.09 4.67 0.00 3.05 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 49 T 8.45 4.29 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 50 D 8.71 4.39 0.00 2.76 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 51 A 8.05 4.03 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 52 N 8.18 4.42 0.00 2.95 2.95 0.00 0.00 7.28 7.83 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 53 I 7.32 3.54 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.84 0.86 0.00 0.00 54 K 7.52 3.99 0.00 1.68 1.82 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.70 7.81 55 K 7.61 3.90 0.00 1.68 2.01 0.00 1.63 0.00 0.00 1.39 0.00 0.00 2.68 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.32 1.28 7.81 56 N 7.46 3.93 0.00 2.79 2.67 0.00 0.00 7.15 7.59 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 57 V 7.07 3.41 0.67 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 0.15 0.00 0.00 0.61 0.00 0.00 58 L 8.00 4.25 0.00 1.45 1.40 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 59 W 8.65 4.83 0.00 3.34 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 60 D 8.83 5.46 0.00 2.89 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 61 E 8.73 3.80 0.00 1.16 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 62 N 9.03 4.42 0.00 3.07 2.95 0.00 0.00 6.48 7.56 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 63 N 8.46 4.40 0.00 3.01 3.00 0.00 0.00 6.80 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 64 M 8.17 4.23 0.00 2.47 2.27 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.65 0.00 65 S 7.50 4.14 0.00 4.14 4.10 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 66 E 7.85 4.14 0.00 2.21 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 2.47 2.43 0.00 67 Y 8.26 4.06 0.00 2.77 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 68 L 8.21 4.04 0.00 1.76 1.78 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 69 T 7.68 4.34 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 1.23 0.00 0.00 70 N 8.09 4.48 0.00 2.68 2.69 0.00 0.00 7.16 7.51 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 71 P 0.00 3.89 0.00 2.21 1.75 0.00 3.72 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 2.37 1.86 0.00 *73 K 8.03 4.27 0.00 1.91 2.15 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.57 7.81 74 Y 8.45 4.08 0.00 3.31 3.58 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 75 I 8.50 4.47 2.12 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.97 0.00 0.00 76 P 0.00 4.54 0.00 2.05 2.02 0.00 3.62 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 2.01 2.22 0.00 77 G 9.00 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.83 4.13 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 1.48 0.00 0.00 79 K 8.59 4.34 0.00 1.97 1.96 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.53 7.81 80 M 7.87 4.17 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.62 0.00 81 A 8.30 4.44 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 82 F 7.84 4.86 0.00 2.87 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 83 G 8.31 3.34 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 0.00 84 G 5.38 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.73 4.63 0.00 1.91 1.68 1.02 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.48 4.11 0.00 1.74 1.87 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.38 7.81 87 K 7.88 4.34 0.00 2.02 1.75 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.49 7.81 88 E 8.93 4.02 0.00 2.06 1.98 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 2.41 2.44 0.00 89 K 8.03 4.02 0.00 2.03 2.06 0.00 1.57 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.55 7.81 90 D 8.04 4.36 0.00 3.02 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 91 R 8.00 4.02 0.00 2.13 2.10 0.00 3.28 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.98 0.00 92 N 8.67 4.71 0.00 2.85 2.95 0.00 0.00 7.05 7.62 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 93 D 8.21 4.45 0.00 2.91 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 94 L 8.36 4.12 0.00 1.82 1.76 1.20 1.18 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 95 I 8.39 3.95 2.05 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.91 0.47 0.00 0.00 96 T 8.23 3.94 4.53 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 1.29 0.00 0.00 97 Y 8.00 4.01 0.00 3.34 3.26 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 98 L 8.50 3.67 0.00 1.84 1.91 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.13 3.14 0.00 1.28 1.94 0.00 1.71 0.00 0.00 1.59 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.26 1.19 7.81 100 K 7.27 3.98 0.00 1.72 1.74 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.53 7.81 101 A 7.66 4.03 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.91 4.15 0.00 3.09 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 0.00 103 E 7.79 4.09 0.00 1.83 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 2.21 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.