NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 L 4.3573 8.0276 122.4994 55.1354 44.2876 178.9072 9 K 3.8871 7.8454 118.0007 58.9978 32.3596 177.0957 10 H 4.4778 8.3876 119.0375 59.1727 30.4979 177.2951 11 Y 4.1536 7.9480 121.0176 60.7372 38.7658 177.7562 12 L 3.9942 8.3936 120.1027 57.7783 41.4448 179.1579 13 E 3.9463 7.8221 117.3988 58.8042 29.4663 178.5928 14 K 4.3748 7.2508 114.9158 55.4498 33.9345 177.6983 15 Q 4.0948 7.2829 122.0621 54.8397 26.7428 173.9658 16 I 4.4669 7.1838 111.6974 58.2148 40.3266 174.0671 17 P 4.5467 0.0000 0.0000 61.0549 32.5751 175.7519 18 A 4.0310 8.3767 122.8890 52.7722 18.7862 177.7366 19 R 4.4668 8.0875 120.9404 54.3896 32.1269 176.5431 20 D 4.4498 8.5143 117.9543 54.9481 42.6664 176.9939 21 Q 4.0350 8.9204 124.2707 60.0069 28.0264 178.8402 22 Y 3.9548 8.0371 119.9162 60.4417 38.8971 177.6676 23 I 3.9964 7.8305 119.3775 64.5628 37.6385 177.7045 24 E 4.4742 8.2968 120.7330 58.6632 29.2595 179.5309 25 Q 3.8446 8.1341 118.9000 56.2172 28.8147 177.8692 *27 E 3.9918 8.1586 118.5862 55.9633 31.6525 178.6263 28 R 3.9064 7.8030 117.6116 59.0676 29.9422 178.7958 29 E 3.8563 8.2742 118.9681 59.1194 29.5844 178.6244 30 A 3.9295 7.8597 120.3136 55.3854 18.5660 178.8873 31 H 4.0435 8.1023 116.7841 59.4702 29.8206 177.3611 32 E 3.9166 8.3814 118.3463 58.7632 29.3780 178.0079 33 Q 4.3458 7.9693 115.8451 54.1802 30.1246 175.2195 34 Q 3.2884 7.4500 117.9596 56.7926 26.8746 174.0722 35 V 4.1911 7.8711 116.1968 60.2580 33.2305 173.4245 36 P 4.3248 0.0000 0.0000 63.6155 32.5421 173.7865 37 I 4.3373 7.4982 126.0821 60.1761 39.4006 176.1027 *39 D 4.4340 8.5965 116.0578 52.4490 40.0917 175.1493 40 L 4.1706 8.5830 122.7641 58.4246 42.6972 178.4127 41 L 4.1350 8.1174 118.3138 57.8861 41.8608 180.2841 42 G 3.6299 8.6063 105.0481 46.2561 0.0000 174.9760 *44 E 4.2989 8.3141 121.2401 56.2471 31.6943 178.5771 45 S 4.1371 8.0906 114.6331 61.4410 62.7349 176.4176 46 L 3.9370 8.3507 123.4187 58.2711 41.7536 179.0709 47 L 3.9253 7.8476 118.3688 57.9719 41.3663 178.8366 48 H 4.1036 8.0300 117.3724 59.2477 29.8953 177.0328 49 L 4.1757 7.9377 119.8106 57.6776 41.6435 179.1365 50 L 4.1761 8.1896 119.2217 57.5787 41.3363 180.9391 51 K 4.1242 7.8475 115.5807 56.6723 32.1451 177.9416 *53 A 4.1507 8.0638 123.3955 50.4573 20.7441 177.2365 54 A 3.7493 8.1429 118.1315 52.6079 16.4552 175.7491 55 P 4.4594 0.0000 0.0000 63.0657 32.8458 176.4077 56 A 4.4854 9.0953 121.7735 53.3595 20.8112 177.4000 57 R 5.1390 8.1240 114.0757 54.7847 34.4239 174.4422 58 I 5.0810 9.1909 124.7991 59.3414 40.9587 174.1286 59 L 4.6857 8.7469 128.7896 52.9432 44.4485 174.4655 60 E 5.0086 8.8852 126.9644 54.3697 32.7903 174.3363 61 I 3.6485 8.0968 127.8076 61.6533 38.3487 176.5950 62 G 4.0411 8.7186 118.2376 46.6237 0.0000 172.6485 63 T 4.1215 8.2410 116.2750 62.8406 69.3704 175.6656 64 A 3.6458 8.0805 123.1582 53.6305 18.1066 177.4967 65 I 4.2446 8.6570 113.3967 63.1752 37.6864 176.7774 66 G 4.1149 8.6250 109.2906 46.3331 0.0000 175.1524 67 Y 4.0712 8.1970 121.1211 60.9260 38.5933 178.3709 68 S 4.1069 8.2488 113.8267 61.3464 63.1210 176.0402 69 A 4.1855 7.9749 122.0637 55.2343 18.4430 179.2148 70 I 3.8422 7.8724 118.2751 64.5215 37.2418 180.4548 71 R 4.1155 7.8203 117.5550 56.2925 29.9427 178.6880 *73 A 4.2911 8.0150 123.5988 52.4271 20.5276 180.0672 74 Q 4.0547 8.2742 113.7623 58.8933 28.8847 177.8811 75 A 4.1777 7.9584 120.0067 53.9973 18.9561 177.5111 76 L 4.7525 7.2535 114.7508 51.9513 41.6491 175.3475 77 P 4.2700 0.0000 0.0000 64.8420 31.8573 177.6030 78 E 4.1714 8.0785 115.6885 57.4327 30.0133 176.2659 79 A 4.8212 7.8627 120.7410 51.3186 20.1736 176.7298 80 T 4.8998 8.9552 109.5738 59.9769 72.1933 173.1850 81 I 5.0853 8.8832 124.0440 59.6038 40.9544 174.4751 82 V 4.9019 8.9756 126.2429 61.2093 34.2842 174.2612 83 S 5.0492 9.2253 121.5886 56.6156 66.4536 172.3216 84 I 4.9819 8.3008 126.3059 59.4709 40.1820 174.1885 85 E 5.0165 9.1729 127.0573 54.6364 32.5355 176.1056 86 R 4.1162 8.8863 121.9394 56.9574 30.8748 176.2332 87 D 4.7326 8.8542 120.1628 53.2326 42.2098 176.2108 88 E 3.6554 8.9761 127.9280 59.2250 29.8155 178.5081 89 R 3.8689 8.0399 118.2422 59.5515 30.2187 178.5301 90 R 3.9253 8.7518 118.1847 59.3694 30.0367 178.2386 91 Y 4.1477 8.2988 119.4754 61.0082 38.7859 178.2371 92 E 3.5934 8.1856 119.2727 59.1238 29.4373 179.0694 93 E 3.7751 8.1913 119.1776 59.1631 29.7474 178.5315 94 A 4.4478 8.2728 122.6039 54.9569 18.3761 179.0904 95 H 3.9251 8.0971 116.6573 59.2004 29.8582 177.7302 96 K 3.9289 7.7881 119.8592 59.7655 31.7050 179.0437 97 H 4.4889 8.3017 116.6357 58.8977 28.6505 177.9812 98 V 3.6076 7.9747 120.0294 65.9921 31.3721 178.2583 99 K 3.8865 7.9763 117.9431 59.3568 31.6519 178.8996 100 A 3.8775 8.1056 120.3665 54.6974 18.2329 178.1965 101 L 4.1491 7.2519 113.8511 54.0785 41.9463 176.8959 102 G 3.8218 7.8742 106.5436 46.8500 0.0000 174.5621 103 L 4.5359 7.7872 117.3161 53.9741 42.0391 178.3497 104 E 3.9534 8.0672 121.2567 58.9211 29.6433 177.8346 105 S 4.4020 7.9912 111.3597 59.7414 63.6526 174.3573 106 R 4.6618 8.3290 118.5905 55.5662 32.6808 174.9005 107 I 4.8828 7.8253 119.3110 59.4289 39.9333 174.4117 108 E 4.5995 9.5584 129.7703 54.7018 31.1202 174.3868 109 L 5.2057 8.7065 127.2062 53.2358 43.7657 175.7906 110 L 4.8077 9.2986 124.0058 52.9019 44.5267 175.1295 111 F 4.9168 8.6444 126.0671 56.6824 40.2863 175.0865 112 G 3.4997 7.5964 113.5768 46.0913 0.0000 170.9117 113 D 4.5895 7.6569 119.2121 52.8941 41.6901 176.6070 114 A 3.9778 8.7121 130.3756 55.3311 18.4623 178.8895 115 L 4.3710 8.5967 114.3620 56.8249 41.8147 178.2354 116 Q 4.5327 8.1733 116.4503 55.7611 29.6024 176.2894 117 L 4.7314 7.5646 119.9093 54.2211 42.0878 178.0105 118 G 3.6011 7.9949 107.9548 48.2362 0.0000 175.8722 119 E 4.1709 8.0753 119.3946 58.6349 29.6603 178.9907 120 K 4.1951 8.0157 119.4341 59.6452 32.4715 178.8042 121 L 4.1295 8.1574 119.0981 57.4888 41.3233 179.0451 122 E 4.1210 8.3671 118.2643 59.5102 29.3947 179.0908 123 L 4.1985 7.7981 118.0614 56.8203 41.9153 177.4682 124 Y 4.2309 7.5719 115.5949 56.7087 38.5260 173.8342 125 P 4.4017 0.0000 0.0000 62.0437 32.0938 176.6529 126 L 4.0815 8.1439 120.0124 55.3932 42.2687 176.9259 127 F 4.7268 8.5322 119.7448 56.6807 40.7433 176.5346 128 D 4.5514 9.1877 121.5600 56.4742 42.2076 176.6896 129 V 4.9420 7.8171 117.4284 61.0312 35.5104 173.4386 130 L 5.0882 9.1616 129.5547 53.1433 44.9825 174.5017 131 F 5.7753 9.3495 129.1582 56.6068 41.8931 173.9532 132 I 4.7785 9.1001 118.9933 59.1572 42.1986 173.5235 133 D 5.0106 8.5665 120.0547 52.2519 43.2656 175.9409 134 A 2.6449 8.6524 129.5251 53.4883 18.3567 177.4807 135 A 4.4098 8.6852 117.7963 52.0726 19.8976 177.5070 136 K 4.4769 7.5427 115.2131 54.6105 32.3880 177.0569 137 G 3.6666 8.3162 109.5483 47.0104 0.0000 174.0261 138 Q 3.4238 8.5966 117.5185 56.8275 26.2852 174.9580 139 Y 4.4145 7.4693 121.0754 61.3745 38.6230 178.8124 140 R 3.2963 7.8020 118.0128 59.0794 29.9175 179.1479 141 R 3.8163 7.5161 116.3467 59.1268 30.1492 178.6274 142 F 4.8880 8.0118 117.2082 60.5484 39.2359 177.0649 143 F 4.1983 8.4346 120.3511 61.4626 38.9306 177.5826 144 D 4.3598 7.8524 112.7930 55.6660 40.4242 177.0383 *146 Y 4.5541 7.8022 117.6189 57.5546 39.8202 176.5799 147 S 4.1091 7.8680 114.3436 60.6152 63.4754 174.0229 148 P 4.4863 0.0000 0.0000 61.9221 29.9392 176.3688 *150 V 4.3511 7.4331 116.8858 62.5418 32.8711 175.8698 151 R 4.2452 8.8631 124.1378 55.3238 30.8222 174.1476 152 P 4.3560 0.0000 0.0000 64.5518 31.4463 177.0918 153 G 3.8956 9.3861 112.8407 45.3059 0.0000 173.6799 154 G 4.0729 7.9727 107.5104 45.7327 0.0000 172.3484 155 L 5.4808 8.9043 118.7882 52.8826 45.5393 176.1555 156 I 4.9026 8.8867 123.9101 59.6563 39.6624 174.3987 157 L 5.1984 9.1745 127.9361 53.1425 44.1418 175.5859 158 S 5.3739 9.0918 120.5709 56.8094 65.4312 173.5684 159 D 4.8295 9.1574 125.0890 54.0538 42.8195 175.2988 160 N 4.6231 8.6372 116.5030 54.6724 35.8103 176.1825 161 V 3.8108 7.7143 112.1776 62.8112 32.3069 177.5547 162 L 4.2975 8.0230 118.6808 55.3525 42.9458 177.0831 163 F 4.8068 7.6443 115.6585 57.1688 39.8409 175.4109 *188 N 4.4622 8.0602 116.4251 52.5250 40.8732 176.7271 189 Q 3.9594 8.1140 118.7483 58.8783 28.4838 178.7888 190 W 4.2409 7.9154 116.2360 59.3116 28.1455 177.8345 191 L 2.6950 6.1859 120.5472 57.4259 41.2875 178.8219 192 L 4.0240 7.6146 117.5958 56.3806 41.5284 177.6235 193 E 4.5528 7.4469 114.0021 55.7370 30.0357 175.3819 194 H 4.2425 7.8826 120.3432 55.8374 29.8065 173.4695 195 P 4.4055 0.0000 0.0000 65.8413 31.6333 177.3792 196 Q 4.3286 8.3617 117.6505 56.2851 29.0797 173.8512 197 Y 5.0823 7.6365 112.3552 56.6665 42.2136 174.7406 198 D 4.8424 9.2134 122.8198 53.2846 42.6791 174.7899 199 T 5.1618 8.4756 122.4646 61.7848 71.0890 174.0972 200 R 4.7454 8.6167 123.9366 54.4055 34.7356 174.1718 201 I 4.7745 8.3372 121.8428 59.8278 39.3291 174.9590 202 F 5.1792 9.1921 126.9682 54.9355 40.6786 175.0249 203 P 4.9186 0.0000 0.0000 61.5700 30.3002 175.8436 204 V 4.5373 7.0979 120.2553 61.3880 35.8052 176.6682 205 G 3.6926 8.2988 110.6151 47.6672 0.0000 173.7231 206 D 4.8710 8.9881 124.8510 53.6931 41.0861 175.0021 207 G 4.1906 8.8938 110.3660 46.0223 0.0000 172.8646 208 I 5.0963 8.4168 123.7310 59.4414 40.5900 174.4572 209 A 4.7473 8.9183 129.6238 51.0768 20.6532 176.0204 210 I 4.6062 8.6367 123.4390 59.7657 39.8255 174.8414 211 S 5.0921 9.1523 125.0765 57.0398 64.8133 173.5182 212 I 4.8284 8.8674 126.9345 59.4422 39.0382 175.1644 213 K 3.9582 9.0803 130.0389 56.2042 32.9278 176.7701 214 R 4.1896 8.5366 127.1593 57.0147 31.0095 177.9440 215 E 3.8923 9.0326 123.5112 57.4358 28.3499 178.5069 *226 E 4.4713 9.1999 111.9983 56.1494 33.3496 177.1974 227 G 3.8620 8.3834 107.4459 45.7997 0.0000 175.9832 228 H 4.2890 9.4809 126.9502 58.8064 29.1931 176.5993 229 H 4.2560 8.1776 115.5246 59.2014 28.6745 176.0346 230 H 4.3045 8.4937 118.0019 58.4959 29.8526 175.4968 231 H 4.0462 7.6632 115.3854 56.5659 29.1302 176.3754 232 H 3.9756 9.3637 117.0189 56.2703 29.0196 174.5365 233 H 4.4307 9.2888 119.8275 56.1887 29.3049 174.1985 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 8 L 8.03 4.36 0.00 1.74 1.74 0.93 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 9 K 7.85 3.89 0.00 2.17 2.08 0.00 1.47 0.00 0.00 1.95 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.66 7.81 10 H 8.39 4.48 0.00 3.17 3.42 0.00 5.93 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 7.95 4.15 0.00 3.08 3.15 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 12 L 8.39 3.99 0.00 1.75 1.72 0.96 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.82 3.95 0.00 2.09 1.92 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 2.29 2.62 0.00 14 K 7.25 4.37 0.00 1.50 1.69 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.49 7.81 15 Q 7.28 4.09 0.00 1.73 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.64 0.00 0.00 0.00 0.00 0.00 2.28 2.13 0.00 16 I 7.18 4.47 1.85 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 1.61 0.72 0.88 0.00 0.00 17 P 0.00 4.55 0.00 2.20 2.07 0.00 3.77 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 1.96 1.94 0.00 18 A 8.38 4.03 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 19 R 8.09 4.47 0.00 1.79 1.93 0.00 3.44 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 20 D 8.51 4.45 0.00 2.81 2.60 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 0.00 0.00 0.00 21 Q 8.92 4.03 0.00 2.34 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.69 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 22 Y 8.04 3.95 0.00 3.00 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 23 I 7.83 4.00 2.08 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.97 1.03 0.00 0.00 24 E 8.30 4.47 0.00 2.17 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 2.37 2.40 0.00 25 Q 8.13 3.84 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.39 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 *27 E 8.16 3.99 0.00 2.20 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 1.90 2.51 0.00 28 R 7.80 3.91 0.00 1.83 1.95 0.00 3.10 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 29 E 8.27 3.86 0.00 2.11 1.87 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 2.28 2.29 0.00 30 A 7.86 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 H 8.10 4.04 0.00 3.16 3.40 0.00 5.60 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 32 E 8.38 3.92 0.00 2.09 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 2.50 2.43 0.00 33 Q 7.97 4.35 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.71 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 34 Q 7.45 3.29 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.63 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 35 V 7.87 4.19 2.06 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 0.79 0.00 0.00 0.98 0.00 0.00 36 P 0.00 4.32 0.00 2.08 2.02 0.00 3.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 37 I 7.50 4.34 1.72 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.42 0.79 0.00 0.00 *39 D 8.60 4.43 0.00 2.84 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 40 L 8.58 4.17 0.00 1.63 1.74 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.12 4.14 0.00 1.78 1.70 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.61 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 *44 E 8.31 4.30 0.00 2.04 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 2.53 2.29 0.00 45 S 8.09 4.14 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 46 L 8.35 3.94 0.00 1.80 1.60 0.78 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.85 3.93 0.00 1.87 1.69 0.88 0.96 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 48 H 8.03 4.10 0.00 3.28 3.48 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.94 4.18 0.00 1.84 1.77 1.12 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.19 4.18 0.00 1.81 1.68 0.78 1.12 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 51 K 7.85 4.12 0.00 1.78 1.79 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.64 7.81 *53 A 8.06 4.15 1.35 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 0.00 0.00 54 A 8.14 3.75 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 55 P 0.00 4.46 0.00 2.23 2.09 0.00 3.79 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 1.99 1.96 0.00 56 A 9.10 4.49 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.12 5.14 0.00 1.74 1.82 0.00 2.98 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 58 I 9.19 5.08 1.93 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 1.15 0.83 0.94 0.00 0.00 59 L 8.75 4.69 0.00 0.27 0.61 0.35 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.89 5.01 0.00 2.11 1.69 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 2.06 2.07 0.00 61 I 8.10 3.65 1.38 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.36 -0.26 0.00 0.00 62 G 8.72 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 63 T 8.24 4.12 4.27 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 1.33 0.00 0.00 64 A 8.08 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.66 4.24 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 1.39 0.91 1.06 0.00 0.00 66 G 8.63 4.11 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 0.00 0.00 0.00 67 Y 8.20 4.07 0.00 3.08 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 68 S 8.25 4.11 0.00 4.23 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 69 A 7.97 4.19 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.28 2.24 0.00 79 A 7.86 4.82 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 80 T 8.96 4.90 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 1.24 0.00 0.00 81 I 8.88 5.09 1.91 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 1.16 0.73 0.94 0.00 0.00 82 V 8.98 4.90 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 0.88 0.00 0.00 1.32 0.00 0.00 83 S 9.23 5.05 0.00 3.86 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 84 I 8.30 4.98 1.57 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.26 0.78 0.00 0.00 85 E 9.17 5.02 0.00 2.14 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 2.67 0.00 86 R 8.89 4.12 0.00 1.90 2.12 0.00 3.10 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 87 D 8.85 4.73 0.00 2.78 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 88 E 8.98 3.66 0.00 2.20 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 2.14 1.47 0.00 89 R 8.04 3.87 0.00 1.93 2.14 0.00 3.24 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 90 R 8.75 3.93 0.00 2.07 2.13 0.00 3.24 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 91 Y 8.30 4.15 0.00 3.20 3.12 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 92 E 8.19 3.59 0.00 2.10 1.89 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 2.53 2.40 0.00 93 E 8.19 3.78 0.00 2.01 2.03 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 2.13 2.19 0.00 94 A 8.27 4.45 1.42 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 0.00 0.00 0.00 95 H 8.10 3.93 0.00 2.73 3.16 0.00 5.59 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 V 7.82 4.94 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 1.04 0.00 0.00 0.95 0.00 0.00 130 L 9.16 5.09 0.00 1.71 1.45 0.74 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 131 F 9.35 5.78 0.00 2.95 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 0.00 132 I 9.10 4.78 2.17 0.00 0.00 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 1.35 1.21 0.92 0.00 0.00 133 D 8.57 5.01 0.00 2.52 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 0.00 134 A 8.65 2.64 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 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.69 4.41 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 0.00 136 K 7.54 4.48 0.00 1.90 1.86 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.53 7.81 137 G 8.32 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 0.00 138 Q 8.60 3.42 0.00 1.32 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.77 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 139 Y 7.47 4.41 0.00 3.33 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 0.00 140 R 7.80 3.30 0.00 1.54 1.33 0.00 2.27 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.37 0.00 141 R 7.52 3.82 0.00 1.61 1.88 0.00 3.09 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 142 F 8.01 4.89 0.00 3.24 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 0.00 143 F 8.43 4.20 0.00 3.05 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 0.00 144 D 7.85 4.36 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 *146 Y 7.80 4.55 0.00 3.14 2.97 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 0.00 147 S 7.87 4.11 0.00 3.72 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 0.00 148 P 0.00 4.49 0.00 2.07 2.11 0.00 3.62 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 2.00 2.08 0.00 *150 V 7.43 4.35 2.34 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 0.95 0.00 0.00 1.05 0.00 0.00 151 R 8.86 4.25 0.00 1.94 2.07 0.00 2.86 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.65 0.00 152 P 0.00 4.36 0.00 1.95 2.02 0.00 3.71 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 2.02 2.09 0.00 153 G 9.39 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 0.00 0.00 0.00 154 G 7.97 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 0.00 0.00 0.00 155 L 8.90 5.48 0.00 1.59 1.55 0.93 1.10 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 0.00 156 I 8.89 4.90 1.83 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.75 0.99 0.00 0.00 157 L 9.17 5.20 0.00 1.66 1.59 0.71 0.53 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 0.00 158 S 9.09 5.37 0.00 3.83 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 0.00 159 D 9.16 4.83 0.00 3.09 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 0.00 160 N 8.64 4.62 0.00 3.00 3.01 0.00 0.00 6.97 7.68 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 0.00 161 V 7.71 3.81 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 0.69 0.00 0.00 0.93 0.00 0.00 162 L 8.02 4.30 0.00 1.66 1.19 0.94 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 163 F 7.64 4.81 0.00 3.02 2.98 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 *188 N 8.06 4.46 0.00 2.66 2.70 0.00 0.00 6.98 7.88 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 0.00 189 Q 8.11 3.96 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 190 W 7.92 4.24 0.00 3.50 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 0.00 191 L 6.19 2.69 0.00 0.27 1.07 0.02 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 192 L 7.61 4.02 0.00 1.56 1.65 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 193 E 7.45 4.55 0.00 2.08 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 2.53 2.24 0.00 194 H 7.88 4.24 0.00 3.45 3.45 0.00 5.76 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 P 0.00 4.41 0.00 2.30 2.33 0.00 3.71 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 2.14 1.98 0.00 196 Q 8.36 4.33 0.00 2.17 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.87 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 197 Y 7.64 5.08 0.00 3.05 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 0.00 198 D 9.21 4.84 0.00 2.73 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 0.00 199 T 8.48 5.16 4.20 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 1.11 0.00 0.00 200 R 8.62 4.75 0.00 1.58 1.82 0.00 3.15 0.00 0.00 3.30 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 201 I 8.34 4.77 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.51 0.93 0.00 0.00 202 F 9.19 5.18 0.00 2.99 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 0.00 203 P 0.00 4.92 0.00 2.23 2.15 0.00 3.68 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 1.97 1.97 0.00 204 V 7.10 4.54 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 0.98 0.00 0.00 205 G 8.30 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 0.00 206 D 8.99 4.87 0.00 2.88 2.98 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 0.00 207 G 8.89 4.19 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 0.00 0.00 0.00 208 I 8.42 5.10 1.96 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.83 0.95 0.00 0.00 209 A 8.92 4.75 1.19 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 0.00 0.00 210 I 8.64 4.61 1.46 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.54 0.81 0.00 0.00 211 S 9.15 5.09 0.00 3.78 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 0.00 212 I 8.87 4.83 1.92 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 1.14 0.71 0.94 0.00 0.00 213 K 9.08 3.96 0.00 1.94 1.78 0.00 1.73 0.00 0.00 1.91 0.00 0.00 2.74 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.24 0.77 7.81 214 R 8.54 4.19 0.00 1.65 1.78 0.00 3.34 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 215 E 9.03 3.89 0.00 1.91 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 2.28 2.29 0.00 *226 E 9.20 4.47 0.00 2.32 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 0.00 2.31 2.35 0.00 227 G 8.38 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 0.00 228 H 9.48 4.29 0.00 3.21 3.39 0.00 5.84 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 H 8.18 4.26 0.00 3.17 3.39 0.00 5.70 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 230 H 8.49 4.30 0.00 2.97 3.37 0.00 5.81 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 231 H 7.66 4.05 0.00 3.49 3.13 0.00 6.02 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 232 H 9.36 3.98 0.00 3.36 3.51 0.00 5.87 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 233 H 9.29 4.43 0.00 3.30 3.29 0.00 5.70 0.00 0.00 0.00 0.00 6.91 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.