NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.7708 8.4201 118.1252 53.3969 41.2214 174.7446 0 A 4.4948 8.0282 124.2302 51.2799 17.4400 179.8257 2 N 4.8074 8.8153 122.5191 53.0722 40.9058 171.3378 3 S 4.0814 8.4717 121.4273 60.9049 62.7335 175.2790 4 A 3.9674 8.0526 122.8341 55.1586 18.2030 179.3371 5 A 3.9656 8.2142 119.2707 55.0800 18.3815 179.7004 6 L 3.8945 7.9647 119.0479 57.9109 42.1323 178.8405 7 K 3.8231 8.1422 119.7389 59.6919 32.1045 178.4348 8 S 4.0709 8.0269 113.1735 61.5755 62.1747 175.7826 9 C 4.0699 8.0582 121.1197 62.6129 31.3835 175.5143 10 L 3.9725 8.3166 120.9923 57.6953 41.0631 179.4285 11 E 3.9597 8.5868 118.9718 59.6331 29.4551 179.6876 12 R 3.9346 8.0082 118.0262 59.0911 29.9770 179.0583 13 E 3.9159 8.4510 118.7406 59.5201 29.5422 178.9490 14 N 4.2929 8.3607 116.8613 56.5469 38.9691 176.7857 15 A 4.0481 8.3064 122.5227 55.0066 18.4088 179.6615 16 L 3.9936 8.0047 117.7196 57.8427 41.6651 179.7852 17 V 3.6222 8.1599 118.6731 65.9609 31.4644 178.2022 18 V 3.5679 7.9209 117.9380 66.1745 31.2935 177.8890 19 E 4.0733 8.4079 118.2910 59.3449 29.1630 179.1425 20 F 3.9911 8.7177 121.2975 61.1483 39.4184 177.2267 21 L 4.0043 8.4620 119.2287 58.0313 41.3969 179.1889 22 H 4.2408 8.2163 115.9940 58.8480 28.5646 177.7155 23 A 3.9474 8.1885 122.7600 55.0225 18.0935 179.6748 24 L 3.7590 7.9134 117.7731 57.8812 41.6029 179.5405 25 E 3.9194 8.3374 118.3405 59.3549 29.3811 179.2479 26 A 3.9451 8.0146 120.7621 55.0379 18.3833 179.2336 27 E 3.8259 8.3017 118.0336 59.7421 29.4908 179.1926 28 T 3.8363 7.7707 114.4357 66.6881 68.6016 176.0206 29 E 4.0846 8.1226 119.0278 59.4846 29.5820 179.0493 30 A 4.1908 7.9003 119.4611 54.8902 18.5545 180.1801 31 L 4.3746 7.7522 116.3014 54.0145 42.1264 177.1627 *33 D 4.2885 7.9476 118.6112 54.7342 41.1310 174.8145 34 R 4.6105 8.1587 124.9093 56.0583 30.7925 178.1946 35 R 4.0652 8.2148 121.2299 59.5775 30.0320 178.7809 36 A 4.0198 7.9726 119.9051 55.2122 18.3522 178.9511 37 H 4.0781 8.1020 116.2588 59.5876 30.0473 177.1786 38 E 3.8709 8.4699 120.5920 59.4896 29.2412 179.5616 39 S 4.0908 8.1380 115.1449 61.3493 62.8240 176.3553 40 L 3.9060 8.0021 122.9828 58.4398 41.8758 178.9759 41 Q 3.9184 8.1282 117.6499 58.9862 28.6473 178.9990 42 A 3.9563 8.0448 121.4385 54.9701 18.4404 179.3906 43 A 3.9222 8.0990 119.4126 55.4869 18.4453 180.1124 44 V 3.5476 7.9908 116.7575 66.2169 31.5938 178.3129 45 Q 4.0038 8.2159 117.9153 58.7346 28.4996 178.6487 46 R 3.8723 8.1067 119.8080 59.3620 30.1256 178.6956 47 K 3.9303 8.1236 118.2742 59.3524 31.9939 178.8044 48 E 3.8992 8.1214 119.4849 59.7274 29.4858 179.1083 49 T 3.8649 7.7111 115.1343 66.5231 68.4968 176.7436 50 L 3.9449 7.9618 120.6524 57.7202 41.6006 179.2891 51 A 3.9912 8.5844 120.9504 55.3607 18.3927 179.3351 52 D 4.3024 8.2386 117.2684 57.8013 40.9143 178.9152 53 D 4.3733 8.3942 119.5804 57.0668 40.6355 178.6557 54 L 3.9128 8.4369 121.0661 58.2311 41.9718 178.8708 55 A 4.0327 8.0215 119.5028 55.3948 18.5722 179.3372 56 Q 4.0919 8.1023 116.3617 58.7484 28.7183 178.3112 57 L 4.1781 8.2148 121.2160 57.3433 41.9952 179.0635 58 G 3.6509 7.8850 105.6158 47.7505 0.0000 175.5464 59 A 3.9886 8.0783 123.0896 54.8353 18.2372 179.4259 60 E 3.8171 7.9121 117.8590 59.3401 29.6921 178.7183 61 R 3.8190 7.9948 118.2839 59.8816 30.0267 178.0478 62 D 4.2930 8.3756 118.3452 57.1494 40.8303 178.5478 63 A 4.0163 8.3868 121.8464 55.0918 18.4026 179.7816 64 L 3.9269 8.0601 117.5882 57.9187 41.7824 179.6338 65 L 3.9530 8.1536 119.3153 57.8123 41.6237 179.5826 66 S 4.2443 8.5777 113.7544 61.2406 62.0912 176.4789 67 G 3.6067 7.7950 107.0275 47.4295 0.0000 174.7126 68 A 4.4011 7.7471 119.9364 51.4204 18.5586 177.4450 69 G 3.7943 7.7144 105.3597 46.8223 0.0000 173.9238 70 L 4.8146 7.9835 118.4102 52.0799 44.2949 176.6069 71 A 4.2907 8.3791 122.3201 52.2141 19.5157 177.5024 72 S 4.4011 8.6289 114.7674 57.9730 65.7141 174.2572 73 G 4.3209 9.0083 107.6141 45.2096 0.0000 172.0043 74 P 4.5345 0.0000 0.0000 65.7784 31.2268 178.2373 75 A 4.1124 8.0776 119.0831 55.3165 18.3871 179.7277 76 G 4.1238 7.6219 104.5849 47.8254 0.0000 175.9614 77 T 3.5388 7.5817 117.4435 66.0026 68.2519 176.6622 78 D 4.4858 8.3083 120.9848 57.3839 40.9371 178.6609 79 A 3.9721 7.9484 120.8794 55.1950 18.3431 179.5322 80 A 3.9497 8.1960 119.2905 55.3085 18.3042 179.7811 81 A 3.9414 8.2078 119.1923 54.9578 18.1801 179.7713 82 A 3.9478 7.9673 118.5472 55.4237 18.6111 179.4947 83 A 4.1852 7.9206 117.6777 53.6602 19.8925 177.4849 84 H 4.8201 8.1643 114.7304 52.4247 29.1918 172.2761 85 P 4.6152 0.0000 0.0000 64.2801 31.3029 177.1527 86 E 4.1814 8.1826 114.8360 58.1756 29.8653 177.7458 87 L 4.5659 8.2785 120.0684 54.9281 42.0007 178.5148 88 G 3.6556 8.0931 107.4954 47.5617 0.0000 174.1949 89 P 4.3427 0.0000 0.0000 64.8375 31.3058 178.5338 90 L 3.9928 7.9206 118.6643 57.9226 42.1303 178.7368 91 W 4.4777 8.3772 128.3760 60.5107 30.5995 177.9996 92 Q 3.6493 8.6624 118.2222 58.8559 28.2059 178.6127 93 A 3.9242 8.2605 122.0417 55.1071 18.3126 179.4097 94 L 3.8838 8.1594 118.9038 58.4566 42.1787 179.2393 95 Q 3.6989 7.6666 117.6947 58.6777 28.4611 178.7092 96 A 3.8745 7.9658 121.8014 55.2433 18.4423 179.3302 97 N 4.2092 8.6550 115.1291 56.4781 38.6068 177.5578 98 A 3.9520 8.3247 122.1395 55.0466 18.5015 179.4885 99 A 3.9125 8.0991 119.4241 55.3118 18.4141 179.6179 100 Q 3.8814 8.3237 117.9702 59.2946 29.1306 178.4083 101 A 4.0167 8.1081 121.8428 55.1725 18.4174 179.8606 102 R 3.8838 8.1456 116.5903 59.4228 30.1197 179.1319 103 E 3.9717 8.2062 118.3761 59.6706 29.3799 178.9799 104 H 4.1875 8.4023 118.2807 59.2435 29.8760 176.6941 105 N 4.2429 8.6362 119.3571 56.7277 38.7431 176.5714 106 Q 3.9278 8.2198 120.7919 59.2976 29.2268 178.2389 107 R 3.9507 8.3708 119.4894 59.6307 30.0557 178.8619 108 N 4.5156 8.6767 116.5601 56.1015 38.3807 177.6295 109 G 3.6705 8.4054 107.5223 48.2228 0.0000 175.8969 110 T 3.9382 7.9525 117.9035 66.3963 68.4738 176.9102 111 L 3.9887 8.0694 120.9595 57.7933 41.6062 179.4693 112 I 3.7508 8.0776 119.7758 64.4248 36.9245 178.3408 113 A 4.0011 7.7316 121.7124 54.9452 18.2089 179.8154 114 V 3.5266 8.0668 117.0637 66.3949 31.5711 178.1230 115 N 4.3999 8.6603 116.6058 56.1287 38.3448 177.2280 116 L 3.9393 8.1402 121.9447 57.9006 42.0635 178.9443 117 R 3.8538 8.2713 118.9573 59.8157 30.0514 177.8491 118 H 4.1174 8.3278 117.9114 59.6104 29.6972 177.2535 119 T 3.7620 8.1523 117.5275 66.6533 68.3514 176.3365 120 Q 3.9266 8.1283 121.3408 59.2389 29.0622 178.0845 121 E 3.9412 8.3904 119.7469 59.6745 29.4567 179.5581 122 S 4.0866 8.3327 115.3962 61.5502 62.8507 176.8159 123 L 3.9734 8.1748 121.8568 57.9789 41.1644 179.1900 124 D 4.3850 8.7035 118.8840 57.3536 40.7012 178.9325 125 A 4.0073 8.0788 121.2677 55.1196 18.1805 179.7118 126 L 3.9413 7.5095 116.1535 57.9449 41.7851 179.3841 127 R 4.0107 7.8232 117.5792 59.6247 29.9207 178.1880 128 Q 4.1064 7.5883 117.2064 58.4236 28.9891 176.3938 129 A 4.2944 8.0505 125.7387 52.6161 18.5799 176.9818 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 N 8.42 4.77 0.00 2.73 2.82 0.00 0.00 6.84 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 0 A 8.03 4.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 N 8.82 4.81 0.00 2.69 2.64 0.00 0.00 6.53 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 3 S 8.47 4.08 0.00 3.92 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 4 A 8.05 3.97 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 5 A 8.21 3.97 1.41 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 0.00 0.00 6 L 7.96 3.89 0.00 1.79 1.79 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.14 3.82 0.00 1.93 1.97 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.46 7.81 8 S 8.03 4.07 0.00 3.94 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 9 C 8.06 4.07 0.00 3.05 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 10 L 8.32 3.97 0.00 1.83 1.70 0.92 0.84 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 11 E 8.59 3.96 0.00 2.13 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 2.33 2.48 0.00 12 R 8.01 3.93 0.00 1.87 1.98 0.00 3.13 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 13 E 8.45 3.92 0.00 2.12 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 2.40 0.00 14 N 8.36 4.29 0.00 2.83 2.81 0.00 0.00 7.17 7.39 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 15 A 8.31 4.05 1.36 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 16 L 8.00 3.99 0.00 1.90 1.75 0.93 0.88 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 17 V 8.16 3.62 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 1.03 0.00 0.00 0.90 0.00 0.00 18 V 7.92 3.57 2.22 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 0.91 0.00 0.00 1.00 0.00 0.00 19 E 8.41 4.07 0.00 2.28 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 2.62 0.00 20 F 8.72 3.99 0.00 3.26 3.27 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 21 L 8.46 4.00 0.00 1.80 1.68 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 22 H 8.22 4.24 0.00 3.38 3.31 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.19 3.95 1.13 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 0.00 0.00 24 L 7.91 3.76 0.00 1.78 1.66 1.04 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.34 3.92 0.00 2.18 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 2.33 2.33 0.00 26 A 8.01 3.95 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 27 E 8.30 3.83 0.00 1.96 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 2.27 2.32 0.00 28 T 7.77 3.84 4.35 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 1.20 0.00 0.00 29 E 8.12 4.08 0.00 2.14 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 30 A 7.90 4.19 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 L 7.75 4.37 0.00 1.76 1.69 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 *33 D 7.95 4.29 0.00 2.77 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 34 R 8.16 4.61 0.00 1.87 1.93 0.00 3.29 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 35 R 8.21 4.07 0.00 1.98 1.99 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 36 A 7.97 4.02 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 37 H 8.10 4.08 0.00 3.19 3.47 0.00 5.68 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 38 E 8.47 3.87 0.00 2.20 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 2.35 2.52 0.00 39 S 8.14 4.09 0.00 4.07 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 40 L 8.00 3.91 0.00 1.83 1.86 0.91 0.77 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 41 Q 8.13 3.92 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 42 A 8.04 3.96 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 43 A 8.10 3.92 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 V 7.99 3.55 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 1.01 0.00 0.00 0.95 0.00 0.00 45 Q 8.22 4.00 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 46 R 8.11 3.87 0.00 2.05 2.04 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 47 K 8.12 3.93 0.00 2.01 1.83 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.55 7.81 48 E 8.12 3.90 0.00 2.18 2.10 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 2.31 2.36 0.00 49 T 7.71 3.86 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 1.21 0.00 0.00 50 L 7.96 3.94 0.00 1.84 1.71 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.58 3.99 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 D 8.24 4.30 0.00 2.93 2.73 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 53 D 8.39 4.37 0.00 2.80 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 54 L 8.44 3.91 0.00 1.81 1.89 0.95 0.98 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 55 A 8.02 4.03 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 56 Q 8.10 4.09 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 57 L 8.21 4.18 0.00 1.94 1.85 0.92 0.91 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 58 G 7.89 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 59 A 8.08 3.99 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 60 E 7.91 3.82 0.00 2.00 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 2.29 2.30 0.00 61 R 7.99 3.82 0.00 1.88 2.05 0.00 2.94 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 1.59 1.62 0.00 62 D 8.38 4.29 0.00 2.70 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 63 A 8.39 4.02 1.36 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 64 L 8.06 3.93 0.00 1.78 1.67 0.91 0.60 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 65 L 8.15 3.95 0.00 1.75 1.78 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.58 4.24 0.00 3.87 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 67 G 7.80 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 0.00 0.00 0.00 68 A 7.75 4.40 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 69 G 7.71 3.79 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 70 L 7.98 4.81 0.00 1.56 1.54 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.38 4.29 1.23 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 0.00 0.00 0.00 72 S 8.63 4.40 0.00 4.06 4.02 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 73 G 9.01 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 0.00 0.00 0.00 74 P 0.00 4.53 0.00 2.31 2.42 0.00 3.67 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 75 A 8.08 4.11 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 76 G 7.62 4.12 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 0.00 77 T 7.58 3.54 3.05 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 -0.45 0.00 0.00 78 D 8.31 4.49 0.00 2.96 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 79 A 7.95 3.97 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 80 A 8.20 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 81 A 8.21 3.94 1.45 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 0.00 0.00 82 A 7.97 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 83 A 7.92 4.19 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 84 H 8.16 4.82 0.00 3.28 3.48 0.00 5.83 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 85 P 0.00 4.62 0.00 2.17 2.13 0.00 3.88 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.01 0.00 86 E 8.18 4.18 0.00 2.14 2.10 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 2.30 2.36 0.00 87 L 8.28 4.57 0.00 1.72 1.75 0.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 88 G 8.09 3.66 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 0.00 0.00 0.00 89 P 0.00 4.34 0.00 2.20 2.14 0.00 3.65 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 90 L 7.92 3.99 0.00 1.81 1.91 0.96 1.00 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 91 W 8.38 4.48 0.00 3.40 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 92 Q 8.66 3.65 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.63 2.52 0.00 93 A 8.26 3.92 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 94 L 8.16 3.88 0.00 1.91 2.02 0.98 1.42 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 95 Q 7.67 3.70 0.00 1.82 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 1.24 1.16 0.00 96 A 7.97 3.87 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 97 N 8.66 4.21 0.00 2.72 2.88 0.00 0.00 6.97 6.94 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 98 A 8.32 3.95 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 99 A 8.10 3.91 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 0.00 100 Q 8.32 3.88 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 101 A 8.11 4.02 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 0.00 102 R 8.15 3.88 0.00 2.02 1.99 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 103 E 8.21 3.97 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 2.32 2.51 0.00 104 H 8.40 4.19 0.00 3.33 3.39 0.00 5.61 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 N 8.64 4.24 0.00 3.00 2.92 0.00 0.00 6.89 7.43 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 0.00 106 Q 8.22 3.93 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.54 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 107 R 8.37 3.95 0.00 2.07 1.99 0.00 3.15 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 108 N 8.68 4.52 0.00 2.84 2.87 0.00 0.00 6.92 7.94 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 0.00 109 G 8.41 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 0.00 110 T 7.95 3.94 4.41 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 1.21 0.00 0.00 111 L 8.07 3.99 0.00 1.86 1.72 0.98 0.66 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 0.00 112 I 8.08 3.75 2.03 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 1.46 0.78 0.92 0.00 0.00 113 A 7.73 4.00 1.36 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 0.00 114 V 8.07 3.53 2.23 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 1.02 0.00 0.00 0.96 0.00 0.00 115 N 8.66 4.40 0.00 2.82 2.87 0.00 0.00 6.72 6.71 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 0.00 116 L 8.14 3.94 0.00 1.96 1.85 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.27 3.85 0.00 1.99 2.12 0.00 3.17 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 118 H 8.33 4.12 0.00 3.22 3.43 0.00 5.64 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 0.00 119 T 8.15 3.76 4.37 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 1.20 0.00 0.00 120 Q 8.13 3.93 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 121 E 8.39 3.94 0.00 2.17 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 2.33 2.52 0.00 122 S 8.33 4.09 0.00 3.88 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 0.00 123 L 8.17 3.97 0.00 1.83 1.70 0.91 1.33 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 0.00 124 D 8.70 4.39 0.00 2.81 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 0.00 125 A 8.08 4.01 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 0.00 126 L 7.51 3.94 0.00 1.75 1.74 0.91 1.37 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 0.00 127 R 7.82 4.01 0.00 1.89 2.14 0.00 3.25 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 128 Q 7.59 4.11 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.63 2.51 0.00 129 A 8.05 4.29 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 * Residues marked with a * may have inaccurate shift predictions.