NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 N 4.6814 8.2833 119.1980 53.0981 38.9087 174.7567 -4 L 3.7309 8.0832 126.1869 56.2457 41.6731 176.5806 -3 Y 4.7342 8.0658 115.3011 57.3336 39.3330 175.1293 -2 F 4.3212 7.9689 124.0434 58.1917 39.8536 174.7064 -1 Q 4.4853 7.7325 126.4895 55.2358 32.1436 178.9313 0 G 3.6434 7.9549 111.7303 46.6168 0.0000 177.0811 -3 R 4.5242 8.1758 115.5011 55.4336 32.4330 175.5293 -2 F 4.3212 7.9689 124.0434 58.1917 39.8536 174.7064 -1 V 4.2653 7.4425 125.8895 61.7358 35.6436 179.2313 0 N 4.4234 8.0249 121.6303 54.6168 35.6525 177.3811 6 P 4.7213 0.0000 0.0000 62.9190 33.3505 175.1110 7 I 4.9691 8.0556 121.1758 58.4510 37.9737 172.6474 8 P 4.3134 0.0000 0.0000 62.6055 32.7905 175.1999 9 F 5.1586 8.4728 121.8483 57.2168 39.9440 175.5011 10 V 4.9263 8.6128 115.1552 59.7283 35.2334 177.0121 11 R 4.0545 9.8903 124.3540 58.7500 30.4410 176.6974 12 D 4.6298 7.9277 116.4352 51.6339 43.8176 175.1563 13 I 3.8488 8.4747 128.1173 64.1880 38.0764 177.3472 14 N 4.4240 8.2731 117.0575 56.1193 38.4928 177.0089 15 R 3.9656 8.6092 120.2850 59.6905 30.1249 178.7881 16 S 4.3261 8.2438 114.7170 61.5624 62.8637 176.3450 17 K 4.3098 8.8608 122.6706 60.1168 31.9363 178.8776 18 S 4.2138 8.4977 115.2739 61.4092 62.7137 176.3857 19 F 4.0167 8.4516 123.3297 61.7516 39.1352 176.9190 20 Y 3.8528 8.6301 116.6856 60.7045 37.1507 178.4989 21 R 4.4472 8.4259 121.2120 59.0559 30.1646 178.2464 22 D 4.3569 8.3098 117.5492 56.6430 40.9970 177.9011 23 R 4.0407 7.5490 117.0319 58.2335 30.6190 177.7857 24 L 3.9243 7.3204 114.3231 54.7651 42.0332 177.4773 25 G 3.8632 7.6023 105.9428 46.1550 0.0000 174.0209 26 L 4.3081 7.9214 119.3632 54.1267 42.5433 175.9045 27 K 4.9078 8.4673 120.1053 54.5600 34.5989 175.7235 28 I 3.8941 8.5031 126.4455 61.6857 37.0504 175.6965 29 L 4.1749 8.8217 130.5530 57.4553 42.6557 176.5148 30 E 4.4287 7.5563 117.8891 54.6979 33.2960 173.1535 31 D 4.8104 8.2032 125.1727 52.7385 42.6175 175.3632 32 F 4.5234 9.0130 125.3755 57.0385 39.2891 176.4323 33 G 4.2465 8.2110 115.7697 44.8937 0.0000 174.3037 34 S 4.4880 8.2796 114.7649 58.7746 65.3034 174.1156 35 F 5.4051 7.9974 123.2500 56.6684 43.0754 173.0039 36 V 4.4480 8.4837 125.0385 60.9641 34.6321 173.8019 37 L 4.6130 8.3221 128.1111 53.1819 43.5015 175.8087 38 F 5.2648 8.9925 122.3716 55.3840 41.9660 175.5103 39 E 4.1078 9.0597 121.4327 58.2508 29.7447 177.5871 40 T 3.3441 8.8024 110.6857 62.2340 66.7309 172.3648 41 G 3.8602 8.0145 106.7887 45.9368 0.0000 173.2791 42 F 5.0423 8.0483 120.8266 56.6902 41.7499 174.2512 43 A 5.0543 6.6676 124.5397 50.7519 22.5602 175.5019 44 I 4.8631 8.4727 111.8335 59.6743 41.7866 173.7445 45 H 5.4040 8.9716 122.0950 54.2343 33.5972 172.0918 46 E 4.3581 9.3559 126.9674 57.1869 30.1277 178.1123 47 G 3.2846 9.2395 115.5331 47.2480 0.0000 176.3454 48 R 4.0496 8.2539 120.5434 58.8812 30.1785 179.1561 49 S 4.0705 8.6495 114.4336 61.4113 62.9765 176.3909 50 L 3.6371 7.3730 123.9735 57.4241 41.6466 178.5842 51 E 4.3847 8.2210 119.0642 59.7424 29.4952 179.2432 52 E 4.0632 8.4251 118.5735 59.6811 29.2744 179.4947 53 T 3.7965 7.6409 114.7486 66.6121 68.5572 176.5303 54 I 3.5565 7.5528 120.2754 63.6184 37.3290 177.7640 55 W 4.6583 8.5480 117.6295 55.4409 29.6471 177.2479 56 R 4.3049 8.1064 116.4462 56.7410 27.7609 175.5583 57 T 4.7415 7.5522 109.7569 61.5252 70.5114 172.8207 58 S 4.7740 8.3212 119.0031 57.4651 66.6332 174.4556 59 S 4.6108 7.9677 115.5362 58.4027 61.1327 175.7536 *62 Q 4.0330 8.4909 115.8502 54.8896 29.2238 174.3260 63 E 4.0712 8.3444 118.1965 55.4063 30.4843 176.3899 64 A 3.9520 8.2144 121.9462 52.7252 18.7747 177.8298 65 Y 4.3232 8.4536 118.1932 60.4497 38.3609 176.5463 66 G 3.9078 7.9969 109.2653 45.2287 0.0000 173.6504 67 R 4.6396 8.2861 124.9976 56.2087 31.9332 175.2260 68 R 3.8624 8.3503 113.4488 57.8413 27.6934 176.2783 69 N 4.8984 7.9352 108.8376 52.4557 38.3631 173.4378 *71 L 4.2419 7.8344 119.3161 55.6636 43.3185 175.7046 72 L 4.5701 8.8939 126.4904 53.6769 43.2676 174.7113 73 Y 5.1172 8.4785 125.8550 55.9211 40.3078 174.6553 74 F 4.7323 8.9413 125.0410 55.5553 42.9902 174.0711 75 E 5.1709 8.5547 119.1372 54.9189 32.1488 174.8379 76 H 4.9137 9.0690 121.0173 54.1850 33.0023 174.3428 77 A 4.2102 8.8404 127.4655 54.7546 18.6396 177.1495 78 D 4.8210 7.9241 112.3991 51.2354 41.4349 175.9263 79 V 3.7617 8.0980 124.7136 64.2660 31.6338 178.0876 80 D 4.3132 8.1926 119.0183 57.1832 40.7218 178.3296 81 A 3.9536 8.3124 121.0732 54.9996 18.3350 179.4269 82 A 3.8319 8.0948 119.4484 55.3071 18.3830 179.6347 83 F 3.2417 8.3674 119.2518 61.2179 39.1565 177.0959 84 Q 3.6616 7.7843 118.0504 58.9747 28.8652 177.4966 85 D 4.3323 7.9337 118.2416 57.1139 41.5665 177.5384 86 I 3.9193 7.5892 119.3803 63.2007 37.6842 177.7172 87 A 3.5947 7.4390 121.9082 54.8015 17.7922 177.9115 88 P 4.1033 0.0000 0.0000 64.6718 31.3993 176.8102 89 H 4.8628 7.6982 113.1833 55.4154 29.2333 174.3372 90 V 4.6806 7.1735 112.2631 59.2603 35.9980 175.3036 91 E 4.3543 8.8622 123.5789 55.5754 30.0595 175.7415 92 L 4.7064 8.5414 127.5193 55.2442 42.0822 177.6703 93 I 4.1828 8.6435 124.6722 64.3435 37.4156 175.8039 94 H 4.9718 7.7567 114.9165 53.9860 31.7032 171.8643 95 P 4.8208 0.0000 0.0000 61.8046 33.5405 174.7686 96 L 4.1951 7.0396 121.9835 55.4577 42.2470 176.4250 97 E 4.6576 9.0924 125.8513 54.1727 34.1293 175.1316 98 R 4.2047 8.5232 124.6058 56.6501 30.7873 176.4911 99 Q 3.8232 8.7218 125.8597 54.2740 29.7019 176.7571 100 A 3.8491 7.7302 121.6753 54.6695 18.3540 178.4264 101 W 4.6585 7.5074 110.6015 56.3850 28.5440 177.1789 102 G 3.9051 7.9803 108.8825 45.1409 0.0000 173.7056 103 Q 4.4491 7.3618 121.4417 55.5662 30.8654 174.6341 104 R 4.7952 9.3867 125.9890 55.7849 31.4978 176.0527 105 V 5.2513 8.6845 116.5214 59.7139 36.7376 174.2190 106 F 5.4517 9.1824 116.6244 55.3779 41.5921 174.0366 107 R 5.0981 8.3330 117.2758 54.8948 34.6787 174.2446 108 F 5.0664 8.3255 116.0064 56.8216 41.8103 171.8891 109 Y 5.3445 8.5818 117.1045 56.3827 39.6988 176.2656 110 D 4.1289 8.9450 123.0640 51.5749 40.7955 175.5239 111 P 4.0623 0.0000 0.0000 65.0703 31.3242 177.2072 112 D 4.6245 8.7774 116.8390 53.9679 41.3169 177.8275 113 G 4.0486 8.4443 108.9020 45.3746 0.0000 173.4219 114 H 4.4652 8.2089 116.7717 55.5379 29.5949 174.0047 115 A 4.7303 8.6275 124.7769 51.4687 20.1125 176.2730 116 I 4.8860 8.5023 123.3040 59.2230 40.8518 174.2010 117 E 4.8570 9.1474 126.8410 54.2488 32.7846 174.5615 118 V 4.6166 8.4046 126.4635 61.0973 33.9926 174.5175 119 G 4.7853 8.7884 115.1204 43.7974 0.0000 172.0298 120 E 4.7717 8.8217 119.2142 56.0794 30.3746 177.1333 121 S 4.5154 8.7209 117.3349 58.8485 63.8220 174.4904 122 L 4.3627 8.5643 122.4834 54.9745 41.6499 176.4268 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 N 8.28 4.68 0.00 2.85 2.85 0.00 0.00 7.09 5.78 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 -4 L 8.08 3.73 0.00 0.61 1.14 0.75 0.45 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 -3 Y 8.07 4.73 0.00 3.11 2.93 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 0.00 0.00 0.00 -2 F 7.97 4.32 0.00 2.92 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 -1 Q 7.73 4.49 0.00 1.83 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.65 0.00 0.00 0.00 0.00 0.00 2.43 2.21 0.00 0 G 7.95 3.64 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 0.00 0.00 0.00 -3 R 8.18 4.52 0.00 1.94 1.71 0.00 2.21 0.00 0.00 3.15 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 -2 F 7.97 4.32 0.00 2.92 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 -1 V 7.44 4.27 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 0.85 0.00 0.00 0.93 0.00 0.00 0 N 8.02 4.42 0.00 2.76 1.85 0.00 0.00 6.61 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 6 P 0.00 4.72 0.00 2.23 2.41 0.00 3.80 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.21 0.00 7 I 8.06 4.97 1.97 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 1.50 0.71 1.11 0.00 0.00 8 P 0.00 4.31 0.00 2.09 1.73 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.19 0.00 9 F 8.47 5.16 0.00 1.86 1.72 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 10 V 8.61 4.93 2.40 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 0.98 0.00 0.00 1.12 0.00 0.00 11 R 9.89 4.05 0.00 1.97 2.06 0.00 3.24 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 12 D 7.93 4.63 0.00 2.75 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 13 I 8.47 3.85 1.95 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.14 1.04 0.00 0.00 14 N 8.27 4.42 0.00 2.97 2.91 0.00 0.00 6.77 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 15 R 8.61 3.97 0.00 1.93 2.30 0.00 3.12 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 16 S 8.24 4.33 0.00 4.19 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 0.00 17 K 8.86 4.31 0.00 2.01 2.18 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.58 1.66 7.81 18 S 8.50 4.21 0.00 4.06 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 19 F 8.45 4.02 0.00 3.19 3.18 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 20 Y 8.63 3.85 0.00 3.14 2.50 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 0.00 21 R 8.43 4.45 0.00 2.22 2.10 0.00 3.19 0.00 0.00 3.36 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 22 D 8.31 4.36 0.00 2.71 2.65 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 0.00 0.00 0.00 0.00 23 R 7.55 4.04 0.00 1.15 1.53 0.00 3.12 0.00 0.00 3.03 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.53 0.00 24 L 7.32 3.92 0.00 1.42 1.41 0.34 0.38 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 25 G 7.60 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 0.00 0.00 0.00 26 L 7.92 4.31 0.00 1.64 1.61 0.51 0.66 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 27 K 8.47 4.91 0.00 1.74 1.76 0.00 1.72 0.00 0.00 1.88 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.42 7.81 28 I 8.50 3.89 1.80 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 0.76 0.54 0.72 0.00 0.00 29 L 8.82 4.17 0.00 1.57 1.76 0.89 0.74 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 30 E 7.56 4.43 0.00 1.80 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 1.47 1.89 0.00 31 D 8.20 4.81 0.00 2.44 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 32 F 9.01 4.52 0.00 3.20 3.08 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 33 G 8.21 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 0.00 0.00 0.00 0.00 34 S 8.28 4.49 0.00 3.90 4.13 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 35 F 8.00 5.41 0.00 2.60 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 36 V 8.48 4.45 1.86 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 0.17 0.00 0.00 0.91 0.00 0.00 37 L 8.32 4.61 0.00 1.37 1.39 1.01 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 38 F 8.99 5.26 0.00 3.24 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 39 E 9.06 4.11 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 2.37 2.45 0.00 40 T 8.80 3.34 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 41 G 8.01 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 0.00 0.00 0.00 42 F 8.05 5.04 0.00 3.00 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 43 A 6.67 5.05 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.47 4.86 2.01 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.88 0.83 0.00 0.00 45 H 8.97 5.40 0.00 3.34 3.06 0.00 5.60 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 9.36 4.36 0.00 2.09 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 2.40 2.50 0.00 47 G 9.24 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 0.00 0.00 0.00 48 R 8.25 4.05 0.00 2.02 2.03 0.00 3.19 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.93 0.00 49 S 8.65 4.07 0.00 4.03 4.14 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 50 L 7.37 3.64 0.00 0.94 0.84 0.55 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.22 4.38 0.00 2.25 2.38 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 2.76 2.55 0.00 52 E 8.43 4.06 0.00 2.10 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 2.51 2.51 0.00 53 T 7.64 3.80 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 1.04 0.00 0.00 54 I 7.55 3.56 1.04 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 1.10 0.26 -0.68 0.00 0.00 55 W 8.55 4.66 0.00 3.59 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 56 R 8.11 4.30 0.00 2.04 2.05 0.00 3.36 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 57 T 7.55 4.74 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 1.33 0.00 0.00 58 S 8.32 4.77 0.00 4.12 3.84 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 59 S 7.97 4.61 0.00 3.82 3.18 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 *62 Q 8.49 4.03 0.00 1.94 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.81 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 63 E 8.34 4.07 0.00 2.00 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 2.21 2.23 0.00 64 A 8.21 3.95 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 65 Y 8.45 4.32 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 66 G 8.00 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 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76 H 9.07 4.91 0.00 3.18 3.11 0.00 5.59 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 77 A 8.84 4.21 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 78 D 7.92 4.82 0.00 2.69 2.59 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 79 V 8.10 3.76 2.19 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 0.82 0.00 0.00 1.20 0.00 0.00 80 D 8.19 4.31 0.00 2.87 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 81 A 8.31 3.95 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 82 A 8.09 3.83 1.32 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 0.00 0.00 0.00 83 F 8.37 3.24 0.00 2.58 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 84 Q 7.78 3.66 0.00 2.05 2.20 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 2.28 2.26 0.00 85 D 7.93 4.33 0.00 2.91 2.65 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 0.00 0.00 0.00 0.00 86 I 7.59 3.92 1.90 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 1.29 0.33 0.39 0.00 0.00 87 A 7.44 3.59 0.27 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 88 P 0.00 4.10 0.00 1.52 1.89 0.00 3.22 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.89 0.00 89 H 7.70 4.86 0.00 3.14 3.27 0.00 5.60 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.17 4.68 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 0.73 0.00 0.00 0.77 0.00 0.00 91 E 8.86 4.35 0.00 2.19 2.17 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 2.68 2.49 0.00 92 L 8.54 4.71 0.00 1.68 1.80 1.03 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 93 I 8.64 4.18 1.86 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 0.89 -0.22 0.94 0.00 0.00 94 H 7.76 4.97 0.00 3.24 3.41 0.00 5.64 0.00 0.00 0.00 0.00 6.53 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 4.82 0.00 2.01 2.29 0.00 4.03 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 96 L 7.04 4.20 0.00 0.27 0.67 0.98 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 97 E 9.09 4.66 0.00 1.80 1.63 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 2.14 2.27 0.00 98 R 8.52 4.20 0.00 1.72 1.73 0.00 3.15 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.66 0.00 99 Q 8.72 3.82 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.56 0.00 0.00 0.00 0.00 0.00 2.08 1.87 0.00 100 A 7.73 3.85 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 0.00 101 W 7.51 4.66 0.00 3.37 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 0.00 102 G 7.98 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 0.00 0.00 0.00 103 Q 7.36 4.45 0.00 2.36 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.99 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 104 R 9.39 4.80 0.00 1.84 1.81 0.00 3.08 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 105 V 8.68 5.25 2.31 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 0.93 0.00 0.00 1.05 0.00 0.00 106 F 9.18 5.45 0.00 3.36 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 0.00 107 R 8.33 5.10 0.00 1.54 1.65 0.00 3.29 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 108 F 8.33 5.07 0.00 3.29 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 0.00 109 Y 8.58 5.34 0.00 3.01 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 0.00 110 D 8.95 4.13 0.00 2.36 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 0.00 111 P 0.00 4.06 0.00 1.98 2.07 0.00 3.11 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.49 0.00 112 D 8.78 4.62 0.00 2.93 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 0.00 113 G 8.44 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 0.00 114 H 8.21 4.47 0.00 3.64 3.38 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.63 4.73 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 0.00 116 I 8.50 4.89 0.73 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 1.23 0.73 0.39 0.00 0.00 117 E 9.15 4.86 0.00 2.06 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 2.40 2.45 0.00 118 V 8.40 4.62 1.07 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 0.98 0.00 0.00 0.75 0.00 0.00 119 G 8.79 4.79 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 0.00 0.00 0.00 120 E 8.82 4.77 0.00 2.05 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 2.53 2.38 0.00 121 S 8.72 4.52 0.00 3.82 3.88 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 0.00 122 L 8.56 4.36 0.00 1.75 1.62 1.06 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.