NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3330 8.1733 120.0802 55.7882 34.5174 174.3382 3 T 4.8077 8.1649 115.2880 61.3381 71.1819 171.4868 4 I 4.7019 8.3556 126.3170 59.5134 41.2456 174.0503 5 C 5.3170 8.7357 128.6224 58.2497 31.8683 172.0524 6 V 5.4163 8.5814 126.3113 60.4069 33.1019 174.7977 7 F 5.1769 7.8021 120.3802 55.5200 41.4996 173.3444 8 A 4.7408 8.5102 121.7254 50.5052 22.4721 175.6189 9 G 3.6710 8.6909 105.9059 45.7412 0.0000 175.0018 10 S 4.3593 8.4222 114.9498 59.4903 64.1517 174.4613 11 N 4.6052 7.7932 117.5186 51.7521 39.1497 172.5753 12 P 4.4511 0.0000 0.0000 61.6597 32.3754 176.5225 13 G 3.7619 8.6704 112.8377 45.7727 0.0000 173.6199 14 G 4.0430 8.7794 110.5775 45.7295 0.0000 173.5000 15 N 5.0470 7.7623 118.5048 52.8372 39.7992 174.1531 16 E 4.3555 9.4440 111.5141 56.9989 32.5454 178.0027 17 A 4.0155 7.8823 119.4410 55.1600 18.0886 178.3661 18 Y 4.4106 7.4671 115.6883 60.9891 38.0282 178.1833 19 K 3.9567 8.0834 118.9836 59.7812 32.3167 179.0387 20 R 3.9273 7.8819 119.4529 59.1973 30.0017 178.4810 21 K 4.0410 8.6648 118.3236 59.4328 32.2298 179.1744 22 A 3.8754 8.4498 120.9423 55.2855 18.3267 179.5501 23 A 3.9296 7.8474 118.7205 55.0601 18.3006 179.3204 24 E 3.8803 8.2536 117.8639 59.6142 29.5575 178.7995 25 L 4.0982 8.0426 119.1239 58.0666 42.0178 179.1075 26 G 3.6297 7.6619 104.6918 48.0134 0.0000 176.0712 27 V 3.8280 8.4468 115.9052 63.5768 31.3384 176.8978 28 Y 4.8187 8.4388 120.0925 57.3963 38.6928 176.8847 *30 A 4.1547 7.8680 121.1621 51.7838 20.5962 178.8641 31 E 4.0549 7.6533 113.9082 59.8399 29.5626 179.1862 32 Q 4.0939 7.8774 115.0721 55.4373 28.6353 176.5274 33 G 3.9212 7.4674 104.4725 47.1040 0.0000 174.7526 34 I 5.0000 6.6598 116.0535 58.1103 40.3636 177.8512 35 G 3.8338 8.6938 114.4127 45.9959 0.0000 171.4337 36 L 4.9505 9.0648 123.4858 53.0844 44.9870 175.7061 37 V 5.0334 8.4889 124.8038 61.7078 34.1880 172.9549 38 Y 5.1399 9.3005 129.2135 55.8993 41.2548 176.2291 39 G 3.6545 9.1287 109.0839 45.8070 0.0000 174.6187 40 G 3.2141 5.9544 107.0796 44.8366 0.0000 173.9756 41 S 4.2277 7.8402 113.7335 58.6119 62.7534 173.8879 42 R 4.6775 8.6087 121.3071 55.7864 29.6009 174.9453 43 V 4.4643 7.2387 111.4161 59.9565 34.8817 176.1152 44 G 3.9856 8.3428 106.7706 45.4496 0.0000 175.1230 45 L 4.3452 7.6388 116.0087 54.4639 40.9685 179.3496 *47 G 3.9656 8.1424 109.0339 45.9994 0.0000 175.7645 48 T 3.9946 7.3114 117.0540 66.2069 68.3939 176.6602 49 I 3.6498 7.4122 120.4357 63.6311 37.0092 177.9091 50 A 3.7126 7.5894 120.8230 55.2178 18.4357 179.0871 51 D 4.4045 7.8540 115.6344 55.9632 39.6666 178.2743 52 A 4.1600 7.4774 122.5024 54.9555 18.3249 179.7013 53 I 4.0747 7.4284 117.2248 61.6471 37.3442 177.2101 *55 E 4.4014 8.0171 118.3930 55.8884 30.8558 175.1535 56 N 4.8907 7.4914 109.3167 53.0671 40.2029 174.9463 57 G 3.8500 8.4928 105.0515 46.0739 0.0000 175.0906 58 G 3.9139 7.9237 109.4619 44.7898 0.0000 173.1310 59 T 4.7941 8.2608 114.1368 61.6537 72.3647 173.3795 60 A 5.0650 9.0269 126.2795 50.4316 22.7275 174.8672 61 I 4.8958 9.5308 123.7801 59.3761 40.8950 174.8932 62 G 3.9557 8.5119 114.3787 44.1332 0.0000 172.5302 63 V 4.5046 8.0426 126.7258 61.2995 32.3638 173.7189 *65 P 4.3139 0.0000 0.0000 62.3663 32.1660 176.8405 66 S 4.1905 8.4413 116.0656 60.8131 64.2844 176.9445 67 G 3.9811 8.0290 105.5275 45.6724 0.0000 173.1813 68 L 4.3603 8.0214 120.7226 54.6451 42.1856 177.2732 69 F 4.7248 9.2936 121.9375 56.3781 40.5795 177.0352 70 S 4.0878 8.8996 119.3010 62.1520 62.6035 177.4088 71 G 3.8212 8.2581 102.9994 46.6877 0.0000 173.3432 72 E 4.6341 8.3426 117.5857 55.7882 30.9802 176.5686 73 V 4.3012 8.0207 118.3220 62.9069 33.5721 177.8152 74 V 3.6820 7.8668 112.2611 65.1612 31.4071 177.3669 75 H 4.4424 7.7570 114.6705 58.0018 28.9610 176.2846 76 Q 4.0761 7.2728 117.1288 56.4880 28.8719 176.5151 77 N 4.8799 8.5385 119.4695 51.4083 39.4036 172.9087 78 L 5.0187 7.9098 121.9790 52.6221 45.8052 176.9573 79 T 4.2664 8.8624 116.9827 66.0026 69.1282 175.0577 80 E 4.6392 7.8853 120.7004 54.8766 33.3144 173.7479 81 L 4.8078 8.5641 128.0757 53.3809 43.7047 174.5507 82 I 4.3270 8.0141 126.7441 59.9501 38.7072 174.7962 83 E 4.6650 8.7342 126.5560 55.1362 30.8890 175.6048 84 V 4.5914 8.1133 114.7180 59.8371 36.9364 173.9726 85 N 5.1208 9.3841 119.9398 53.0178 40.7780 175.1552 86 G 3.8996 8.1657 111.6598 45.9822 0.0000 174.4497 *88 H 4.6070 8.8205 120.8790 56.0188 31.4005 174.8491 89 E 3.8640 8.1334 118.2530 59.4176 28.9714 179.3097 90 R 3.8431 7.3134 117.1795 59.3437 30.2538 178.4295 91 K 4.0870 7.8815 116.5161 59.3700 32.3885 178.7802 92 A 4.1103 8.1476 121.3966 54.6658 18.0255 180.2126 93 K 4.1422 7.8444 115.6781 57.0231 32.4008 178.0325 *95 S 4.7373 8.0460 115.1513 58.2002 64.5887 175.6605 96 E 4.1217 8.5347 119.1316 57.9379 29.4915 176.9959 97 L 4.4363 7.5772 116.4239 56.2282 43.4486 177.0487 98 A 4.3299 7.6665 119.4782 52.0535 19.0535 176.4190 99 D 4.8676 8.1814 118.1561 53.7198 42.4537 176.3216 100 G 4.0062 6.8372 103.8085 45.5181 0.0000 172.6375 101 F 5.8373 9.2140 119.8149 54.7709 42.0549 174.4102 102 I 4.7311 8.3203 124.6415 59.8584 39.7074 174.8096 103 S 4.6854 8.6393 119.4837 54.4090 66.4592 170.4213 *105 P 3.7148 0.0000 0.0000 62.0669 32.2540 176.1464 106 G 4.3896 7.1438 109.3191 45.1777 0.0000 175.0545 107 G 3.7135 7.5776 110.5104 44.8337 0.0000 173.1241 108 F 4.4066 7.9419 114.5222 61.2399 38.9958 177.4448 109 G 4.0934 8.3690 104.0449 48.8904 0.0000 175.3746 110 T 4.0584 7.8963 117.3200 66.3372 68.4238 176.2776 111 Y 4.2224 8.4676 118.6835 60.1203 37.8832 177.5622 112 E 4.1612 8.0966 120.5071 59.3264 29.9249 178.3681 113 E 3.7718 8.0378 118.1501 58.6372 29.2510 179.2193 114 L 4.1099 7.4764 120.8168 58.1875 42.2191 178.8555 115 F 4.4511 7.8242 117.6919 60.6312 38.9690 176.9302 116 E 4.0109 8.4399 119.0743 59.7910 28.8319 179.3199 117 V 3.5615 7.7851 117.7874 65.8079 31.2657 178.0188 118 L 4.0696 7.8940 118.3775 57.6709 41.4994 178.6528 119 C 3.9188 8.1224 116.3423 62.8016 28.0664 175.9603 120 W 4.4667 7.5941 117.5191 57.8928 28.7095 178.2035 121 A 4.2477 7.5476 119.7119 55.4421 17.7697 178.5568 122 Q 4.0486 7.7337 116.0060 56.9949 29.1204 176.2305 123 I 3.7243 7.3100 122.6533 62.7723 38.4806 175.1967 124 G 3.9424 8.0950 108.9649 44.8498 0.0000 173.0968 125 I 4.7506 8.1591 114.9837 61.6823 42.1093 176.6427 126 H 4.2801 8.7740 116.4929 58.2810 29.1342 174.3828 127 Q 3.2605 8.1473 119.8922 56.4694 25.7486 172.8063 128 K 4.7348 8.3658 120.6164 54.6625 33.9098 175.3893 129 P 4.6056 0.0000 0.0000 62.9146 33.2070 175.9145 130 I 5.1252 8.4715 122.3894 59.9021 40.3317 175.0655 131 G 4.3226 9.1346 115.1808 45.1092 0.0000 171.4855 132 L 4.8555 8.3886 120.1155 52.7006 44.5238 175.5848 133 Y 4.6683 9.0873 127.5147 57.2345 36.8327 173.0287 134 N 4.8028 8.8968 119.7683 52.9040 39.0898 173.5285 135 V 4.1975 8.2484 125.5486 61.8263 34.0767 176.7056 136 N 3.7936 8.5198 124.2460 54.2985 38.2223 174.4126 137 G 4.0261 8.6193 105.0546 44.4598 0.0000 171.3523 138 Y 4.4227 8.1125 124.9187 58.8071 41.0578 176.7793 139 F 4.9179 8.3733 115.8962 58.4420 39.5085 176.8168 140 E 4.1735 7.8691 121.1399 59.1784 29.3338 175.5127 141 P 4.3254 0.0000 0.0000 62.6902 29.9597 175.8592 *144 K 4.0678 7.9806 122.9138 56.0220 34.0423 177.6606 *146 V 4.0939 7.7889 118.3421 62.3979 33.4245 177.4980 147 K 4.0120 8.0906 118.6382 59.6002 31.8094 178.4785 148 Y 4.1337 7.9247 119.6370 60.6730 38.7362 177.9802 149 S 4.0439 8.1675 113.5117 61.6779 62.4470 176.1396 150 I 3.7453 7.7816 122.3137 64.2216 36.5013 178.5637 151 Q 3.9251 7.7161 118.2282 59.0501 28.7885 178.4238 152 E 3.8560 7.7155 117.9082 57.4237 29.3398 178.0737 153 G 3.6762 7.3167 106.9805 45.8600 0.0000 174.3029 154 F 4.8521 7.7948 117.5113 57.6405 40.4049 176.8730 155 S 4.7466 7.5865 118.2148 57.9238 63.6338 172.1084 156 N 5.0088 8.5997 124.7498 53.3474 42.6713 173.7829 157 E 4.2685 8.6054 117.5969 58.7064 30.2799 179.4371 158 S 4.1524 7.9488 113.1260 61.2808 63.5413 176.0653 159 H 4.2130 8.1645 118.4029 58.7524 28.2299 176.8716 160 L 4.2305 7.5867 118.2064 55.9290 41.4999 178.4789 161 K 4.0719 7.7477 118.6292 58.1490 33.0522 177.2784 162 L 4.3393 7.5688 119.8100 56.1470 43.7368 177.0477 163 I 4.1105 7.5855 118.3245 61.3724 38.7896 175.0022 164 H 5.1245 9.0186 124.8494 54.3971 33.5484 172.7819 165 S 4.7796 8.5289 114.8565 57.9880 64.6437 172.7193 166 S 4.4416 8.6745 126.6082 58.5319 67.3403 175.6248 167 S 4.0514 8.6912 114.8529 58.7536 65.8258 175.7964 168 R 4.3912 7.6510 119.5937 55.0401 30.9321 174.7695 169 P 4.2727 0.0000 0.0000 65.4930 31.4597 177.9382 170 D 4.2148 7.2628 118.6217 56.0440 39.3750 178.1760 171 E 3.9328 7.9867 120.5553 58.5479 29.2878 178.5286 172 L 4.2608 8.4204 119.7246 58.8529 42.2157 179.1164 173 I 3.9235 7.7074 118.7932 63.7291 37.1724 178.0004 174 E 4.1888 8.2785 120.9397 59.2126 29.2501 179.2380 175 Q 4.0899 8.5306 114.8073 56.7026 27.8535 177.0687 *177 Q 4.3343 8.0565 121.1030 55.9322 30.6989 176.5410 178 N 4.2533 7.8883 114.0323 55.6989 39.2489 174.1150 179 Y 4.2094 7.5084 119.9420 58.0389 38.4324 175.1884 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 2 K 8.17 4.33 0.00 1.86 1.86 0.00 1.59 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.41 7.81 3 T 8.16 4.81 4.30 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 1.19 0.00 0.00 4 I 8.36 4.70 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.49 0.89 0.00 0.00 5 C 8.74 5.32 0.00 2.98 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 6 V 8.58 5.42 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 0.52 0.00 0.00 0.90 0.00 0.00 7 F 7.80 5.18 0.00 3.18 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 8 A 8.51 4.74 1.16 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 0.00 0.00 9 G 8.69 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 10 S 8.42 4.36 0.00 4.02 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 11 N 7.79 4.61 0.00 2.68 2.73 0.00 0.00 6.94 8.02 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 12 P 0.00 4.45 0.00 2.18 2.06 0.00 3.76 0.00 0.00 3.64 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 13 G 8.67 3.76 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 0.00 0.00 0.00 14 G 8.78 4.04 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 0.00 0.00 0.00 15 N 7.76 5.05 0.00 2.50 1.89 0.00 0.00 6.74 7.93 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 16 E 9.44 4.36 0.00 1.81 1.71 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 2.15 2.33 0.00 17 A 7.88 4.02 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 7.47 4.41 0.00 2.97 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 19 K 8.08 3.96 0.00 1.82 1.88 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.56 7.81 20 R 7.88 3.93 0.00 1.88 2.01 0.00 3.10 0.00 0.00 3.22 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 21 K 8.66 4.04 0.00 2.14 2.29 0.00 1.71 0.00 0.00 1.88 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.54 7.81 22 A 8.45 3.88 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 A 7.85 3.93 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 24 E 8.25 3.88 0.00 2.13 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 2.36 2.36 0.00 25 L 8.04 4.10 0.00 1.17 1.56 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.66 3.63 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 0.00 27 V 8.45 3.83 2.11 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 0.99 0.00 0.00 1.05 0.00 0.00 28 Y 8.44 4.82 0.00 3.09 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 *30 A 7.87 4.15 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 31 E 7.65 4.05 0.00 2.12 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 2.32 2.49 0.00 32 Q 7.88 4.09 0.00 1.50 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.17 2.04 0.00 33 G 7.47 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 34 I 6.66 5.00 1.71 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.81 0.89 0.00 0.00 35 G 8.69 3.83 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 0.00 0.00 0.00 36 L 9.06 4.95 0.00 1.63 1.55 0.82 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.49 5.03 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 0.98 0.00 0.00 0.93 0.00 0.00 38 Y 9.30 5.14 0.00 3.08 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 39 G 9.13 3.65 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 0.00 0.00 0.00 40 G 5.95 3.21 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 0.00 0.00 0.00 0.00 41 S 7.84 4.23 0.00 3.92 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 42 R 8.61 4.68 0.00 1.96 2.01 0.00 3.07 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 43 V 7.24 4.46 2.09 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 0.72 0.00 0.00 0.99 0.00 0.00 44 G 8.34 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 45 L 7.64 4.35 0.00 1.61 1.63 0.71 1.40 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 *47 G 8.14 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 0.00 0.00 0.00 48 T 7.31 3.99 4.31 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 1.26 0.00 0.00 49 I 7.41 3.65 1.68 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.14 0.75 0.00 0.00 50 A 7.59 3.71 1.16 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 0.00 0.00 51 D 7.85 4.40 0.00 2.84 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 52 A 7.48 4.16 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.43 4.07 1.79 0.00 0.00 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0.00 0.00 133 Y 9.09 4.67 0.00 2.93 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 N 8.90 4.80 0.00 3.00 2.98 0.00 0.00 6.90 8.56 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 0.00 135 V 8.25 4.20 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 0.88 0.00 0.00 0.89 0.00 0.00 136 N 8.52 3.79 0.00 2.57 2.88 0.00 0.00 6.92 7.98 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 0.00 137 G 8.62 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 0.00 138 Y 8.11 4.42 0.00 2.88 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 0.00 139 F 8.37 4.92 0.00 3.40 3.03 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 0.00 140 E 7.87 4.17 0.00 1.82 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 2.41 2.47 0.00 141 P 0.00 4.33 0.00 1.95 1.99 0.00 3.84 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 1.95 2.07 0.00 *144 K 7.98 4.07 0.00 1.87 1.96 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.47 7.81 *146 V 7.79 4.09 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 0.97 0.00 0.00 1.01 0.00 0.00 147 K 8.09 4.01 0.00 1.91 1.89 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.54 7.81 148 Y 7.92 4.13 0.00 3.15 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 0.00 149 S 8.17 4.04 0.00 3.97 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 0.00 150 I 7.78 3.75 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.81 0.95 0.00 0.00 151 Q 7.72 3.93 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 152 E 7.72 3.86 0.00 1.60 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 1.47 2.02 0.00 153 G 7.32 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 0.00 0.00 0.00 154 F 7.79 4.85 0.00 3.02 2.92 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 0.00 155 S 7.59 4.75 0.00 3.82 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 0.00 156 N 8.60 5.01 0.00 2.48 2.62 0.00 0.00 6.75 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 0.00 157 E 8.61 4.27 0.00 1.97 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 2.35 2.21 0.00 158 S 7.95 4.15 0.00 3.93 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 0.00 159 H 8.16 4.21 0.00 3.19 3.35 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 L 7.59 4.23 0.00 1.70 1.70 0.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 161 K 7.75 4.07 0.00 1.68 1.82 0.00 1.52 0.00 0.00 1.64 0.00 0.00 2.73 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.67 1.24 7.81 162 L 7.57 4.34 0.00 1.62 1.74 0.95 0.65 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 0.00 163 I 7.59 4.11 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.70 0.93 0.00 0.00 164 H 9.02 5.12 0.00 3.12 3.13 0.00 5.67 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 S 8.53 4.78 0.00 3.86 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 0.00 166 S 8.67 4.44 0.00 3.75 3.65 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 0.00 167 S 8.69 4.05 0.00 3.64 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 0.00 168 R 7.65 4.39 0.00 1.79 1.95 0.00 3.33 0.00 0.00 3.28 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 169 P 0.00 4.27 0.00 1.71 2.14 0.00 3.58 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 170 D 7.26 4.21 0.00 2.75 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 E 7.99 3.93 0.00 2.01 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 2.39 2.33 0.00 172 L 8.42 4.26 0.00 1.86 1.95 1.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 173 I 7.71 3.92 2.06 0.00 0.00 1.00 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 0.94 0.97 0.00 0.00 174 E 8.28 4.19 0.00 2.18 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 2.52 0.00 175 Q 8.53 4.09 0.00 1.85 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.35 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 *177 Q 8.06 4.33 0.00 2.34 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.90 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 178 N 7.89 4.25 0.00 2.82 3.00 0.00 0.00 6.97 7.42 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 0.00 179 Y 7.51 4.21 0.00 2.89 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 * Residues marked with a * may have inaccurate shift predictions.