NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 M 4.4749 8.2893 118.7933 54.0562 33.4581 175.6054 1 V 3.8428 7.9745 120.6555 60.5857 32.4689 174.2251 2 L 4.2566 8.1664 124.7621 53.9318 43.4185 178.6445 3 S 4.5008 8.8423 117.7350 57.6263 65.2458 175.0783 4 E 4.2401 8.8967 122.9846 59.7028 29.3062 179.1581 5 G 3.6967 8.1681 105.0413 47.9474 0.0000 175.2772 6 E 3.8930 8.2105 120.8896 58.8952 29.3798 179.3988 7 W 4.3961 8.2261 119.1329 60.1381 29.0728 178.6241 8 Q 4.1871 8.6825 118.2019 58.9770 27.7843 178.9088 9 L 4.0528 8.0973 120.2448 57.5398 41.5964 179.5998 10 V 3.7895 7.9377 118.2867 66.3079 31.5632 178.2412 11 L 4.2528 8.5261 118.9451 58.0593 41.2288 179.2164 12 H 4.2287 8.6231 116.1751 58.4783 28.9064 177.7744 13 V 3.8495 7.8339 121.0038 64.2595 31.5123 178.3027 14 W 3.7937 8.4876 128.8883 60.0544 30.2633 177.6813 15 A 4.0038 8.0663 120.1500 55.0215 18.0061 179.4286 16 K 3.9528 7.8662 117.0777 59.1895 32.1863 179.4487 17 V 2.6601 7.1627 118.0282 65.8435 30.9954 177.3830 18 E 4.0099 7.5913 114.9066 57.6751 29.3198 178.4552 19 A 4.2019 7.5430 121.2771 54.3509 20.0360 177.6896 20 D 4.6860 7.8657 115.5080 52.3480 43.2359 175.8162 21 V 3.5787 7.8654 123.9437 64.1644 31.8388 178.2098 22 A 4.0553 8.0085 121.0922 54.9982 18.3035 179.7140 23 G 3.5407 8.4818 104.1998 46.0648 0.0000 175.7214 24 H 4.1665 8.2408 118.3931 58.4177 28.5738 178.0818 25 G 3.5205 8.3757 107.9647 47.7998 0.0000 175.7206 26 Q 4.0287 8.1042 120.4089 58.9492 28.7455 178.7326 27 D 4.4166 7.9681 119.7709 57.3202 40.7117 179.0271 28 I 3.6162 7.8566 120.4089 64.4633 37.0448 178.0402 29 Y 3.6858 7.8842 117.7241 61.0286 37.6488 178.7570 30 I 3.7228 7.9169 120.8536 64.3114 37.1147 178.4361 31 R 3.7780 8.0301 119.4892 59.2306 29.8452 178.2132 32 L 3.8996 7.9609 120.3458 58.4375 41.9836 179.1064 33 F 4.5697 8.2068 117.9437 60.3842 38.5482 177.9993 34 K 4.0327 8.0992 117.7498 59.5362 32.0036 179.3217 35 S 4.2702 8.0655 114.5857 60.4204 64.1935 174.5690 36 H 4.6824 8.2045 118.3853 51.9501 29.4543 171.7911 37 P 4.5798 0.0000 0.0000 64.6104 31.4478 177.5578 38 E 4.2668 8.2504 116.2250 59.5062 29.5105 179.1527 39 T 3.7783 8.1093 111.0623 64.5176 68.7739 176.2386 40 L 3.7815 8.0805 123.0955 57.7173 41.7465 178.5469 41 E 4.1596 7.9247 117.1012 58.5004 29.4502 178.5754 42 K 4.4457 8.0337 117.0657 56.9994 32.8157 177.5162 43 F 4.5300 8.2056 119.1895 55.6838 38.8909 175.7634 44 D 4.4162 8.5517 124.4916 57.2160 40.9203 178.6476 45 R 3.9283 7.6569 116.0126 57.4387 30.4833 176.7922 46 F 4.9789 7.7609 114.8396 56.6779 40.4135 176.8178 47 K 4.0603 8.0855 119.8468 58.9420 32.6300 177.5925 48 H 4.4212 8.1020 114.2269 56.9980 29.1054 175.6537 49 L 4.0970 7.5305 121.6604 54.9426 41.7199 176.9499 50 K 4.3517 9.2884 123.0899 57.2226 33.6134 176.9211 51 T 4.7445 7.3026 107.7176 58.8061 73.2304 174.1885 52 E 3.9276 8.6908 121.1815 59.2781 29.6016 178.5862 53 A 3.9810 7.9741 120.3963 55.3409 18.2528 179.3308 54 E 3.9372 7.9453 115.8433 59.7361 29.6972 179.1848 55 M 4.1387 8.1201 118.7979 58.2973 31.8099 178.7731 56 K 3.9534 8.2409 118.8680 59.1211 32.4703 178.0964 57 A 4.4412 7.7932 119.0315 52.3188 18.9498 177.7418 58 S 4.2556 7.5296 112.6777 57.5309 62.8308 173.9892 59 E 3.9708 8.7345 131.0934 59.4648 29.5043 178.2224 60 D 4.4671 8.1407 118.5702 57.2458 40.9380 178.3203 61 L 2.9397 8.0837 121.0454 57.4336 41.9562 178.7583 62 K 3.8537 7.9724 119.6140 59.6194 32.1496 178.8099 63 K 3.9846 8.2072 118.6243 59.4623 31.8902 179.0245 64 Q 4.2197 8.4311 120.0175 59.4152 28.9989 178.8152 65 G 3.6060 8.5583 106.6883 47.4815 0.0000 175.9395 66 V 3.6045 7.8723 120.7359 65.8342 31.5739 178.0859 67 R 3.9126 8.1194 118.4688 59.3931 29.9889 178.5632 68 V 3.6477 8.0676 118.1173 66.2770 31.6137 178.0876 69 L 4.2010 8.1649 118.7150 58.0151 41.4379 179.7041 70 T 4.0419 8.3038 115.7788 66.4994 68.4779 176.5784 71 A 3.9966 8.1616 122.7618 55.0314 18.3368 179.4556 72 L 3.6695 8.0965 118.9519 58.1335 42.1236 179.3286 73 G 3.1868 8.5028 105.8141 47.6502 0.0000 175.4516 74 A 3.9523 7.8283 122.0969 54.7836 18.7193 179.5116 75 I 3.7461 7.4852 118.0577 64.6733 37.2194 178.7163 76 L 3.9973 7.8986 120.0322 57.6675 41.1594 179.7017 77 K 3.9271 7.8224 117.2517 58.6332 32.1864 178.9151 78 K 3.9051 7.7826 118.2392 56.2758 32.5992 176.6275 79 K 2.0000 8.1409 118.1724 56.3217 29.6202 175.9261 80 G 3.8934 7.7225 105.7678 45.7102 0.0000 173.3940 81 H 4.5683 7.4629 119.1451 55.5544 27.8438 175.5252 82 H 5.3970 7.2911 112.9754 54.8076 29.3600 175.7231 83 E 3.9434 8.2283 123.7692 60.1186 29.2142 178.5175 84 A 4.0255 7.9122 118.7678 55.3205 18.4196 179.0265 85 E 4.0997 8.1371 116.5965 59.4061 29.6196 179.3063 86 L 4.2691 8.2036 119.0081 57.1033 41.6252 179.5210 87 K 3.9565 7.7828 119.1250 59.0770 32.0739 177.5453 88 P 4.3206 0.0000 0.0000 65.5760 31.2752 178.2218 89 L 4.0088 7.5745 120.3269 57.8904 42.0296 178.6174 90 A 4.1779 8.4443 121.1967 55.3332 18.3659 179.3043 91 Q 3.9331 8.2705 118.1661 59.4375 29.1241 178.7627 92 S 4.0660 8.2740 115.2715 61.8984 62.9971 176.1618 93 H 4.2779 8.7600 119.7940 58.0738 28.2214 177.7664 94 A 2.7314 8.2206 122.5006 54.6771 18.3454 178.9539 95 T 3.9926 7.4505 111.9860 64.4619 69.4767 176.1315 96 K 4.0933 7.4828 120.0022 58.7579 32.9041 177.2057 97 H 4.2933 8.0792 114.6406 56.1848 29.4873 175.5126 98 K 3.2740 7.5122 116.9488 57.0355 28.4546 175.7792 99 I 4.3259 7.9068 118.6783 58.8808 38.2153 175.0366 100 P 4.5381 0.0000 0.0000 62.0306 32.0850 177.7456 101 I 3.7200 8.4791 121.2158 64.6963 36.9314 178.6074 102 K 3.9338 7.8075 121.0942 59.0637 31.9482 178.2814 103 Y 4.2887 7.9573 117.1454 60.8325 37.8425 177.9852 104 L 4.2077 8.0589 119.6391 57.7198 41.2651 179.2115 105 E 4.0257 8.4501 118.9669 59.3963 29.4103 179.2848 106 F 4.5451 7.8919 117.8276 60.8214 38.9143 177.6344 107 I 3.8156 8.2267 118.2052 63.9835 37.6740 178.1002 108 S 4.1755 8.3162 116.2825 61.6002 62.6235 176.1745 109 E 3.9903 8.5517 121.8030 59.3208 29.3695 178.7651 110 A 3.9986 8.1847 120.7681 55.0548 18.3539 179.5386 111 I 3.6342 8.0772 118.6305 64.6932 37.1724 178.5636 112 I 3.7980 7.9988 120.5481 64.7743 37.0131 177.8858 113 H 4.0966 8.5700 119.2239 59.3714 29.6239 177.4834 114 V 3.5775 7.9760 119.9584 65.9815 31.2926 178.0252 115 L 3.7680 7.9385 118.9693 57.7977 41.0264 178.9071 116 H 4.4024 8.1471 117.9200 59.2419 29.8730 177.2343 117 S 4.1978 7.8451 115.0948 61.5816 63.1793 176.4126 118 R 3.9650 8.0707 121.1122 57.5347 31.1436 176.7306 119 H 5.0405 8.1996 114.9521 54.0637 29.1046 173.2390 120 P 4.3667 0.0000 0.0000 65.3581 31.8656 178.6074 121 G 3.7502 8.1595 107.3817 47.8476 0.0000 173.8111 122 N 5.1244 8.4512 114.4604 52.6951 40.1422 174.4624 123 F 4.9108 7.9791 119.6019 56.3659 39.6623 174.6030 124 G 3.8695 7.9132 107.7755 43.8719 0.0000 172.6971 125 A 3.8928 8.4009 120.6883 55.4018 18.3042 179.6296 126 D 4.1792 7.9586 116.5206 57.4602 40.9216 178.7529 127 A 3.9239 7.7587 120.7729 55.0588 18.3947 179.2942 128 Q 2.9637 7.8385 118.5238 58.7876 28.9348 178.5970 129 G 3.5548 8.1623 106.8444 47.7029 0.0000 175.4969 130 A 3.8219 7.9372 123.2092 54.9958 18.3446 179.3186 131 M 3.9715 8.1529 116.8570 58.8279 32.3122 177.8268 132 N 4.2852 8.5739 117.5667 56.6057 39.1129 176.5477 133 K 3.8043 8.2310 120.9278 59.5934 32.2040 178.5824 134 A 3.8704 8.0297 121.0167 55.0913 18.1703 179.6524 135 L 4.1095 8.2946 117.8091 57.8540 41.6652 179.5046 136 E 3.9747 8.7051 119.2188 59.1029 29.2721 179.1025 137 L 3.9341 8.1095 120.4304 58.0815 42.1588 178.5243 138 F 4.1104 8.4058 120.6407 61.7360 39.1878 177.4367 139 R 3.4099 8.2427 117.5592 58.6378 29.7723 178.8901 140 K 3.7917 8.3412 119.9674 59.7675 32.2130 178.6697 141 D 4.3188 8.2392 119.2686 57.2186 40.7319 178.8056 142 I 3.3539 7.6601 120.5589 64.1851 36.9899 178.3277 143 A 3.8485 7.9193 121.5752 54.8840 18.1906 179.5828 144 A 3.9379 7.8834 119.4382 55.2072 18.4365 180.0579 145 K 3.9617 8.0212 117.0636 59.6657 32.0340 178.9040 146 Y 4.5154 8.4510 117.4957 61.5174 37.8745 179.2234 147 K 4.0119 8.2322 118.9918 59.5882 31.9114 179.3057 148 E 4.0415 8.0082 117.7727 59.2243 29.4739 178.7980 149 L 4.2989 7.9192 117.1183 55.4912 41.9753 177.8571 150 G 4.0049 8.0443 107.1977 45.0229 0.0000 172.4308 151 Y 4.7932 8.2121 121.8156 55.3751 40.3100 176.4468 152 Q 3.7010 8.5144 126.4886 57.1401 29.1585 176.7862 153 G 3.6047 5.3800 107.4841 45.5829 0.0000 173.0270 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 *0 M 8.29 4.47 0.00 1.77 1.91 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 1 V 7.97 3.84 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 0.86 0.00 0.00 0.99 0.00 0.00 2 L 8.17 4.26 0.00 0.87 0.73 0.57 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.84 4.50 0.00 4.04 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 4 E 8.90 4.24 0.00 2.20 2.07 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 2.44 2.53 0.00 5 G 8.17 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.21 3.89 0.00 1.94 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 2.21 2.26 0.00 7 W 8.23 4.40 0.00 3.57 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 8 Q 8.68 4.19 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.68 2.63 0.00 9 L 8.10 4.05 0.00 1.89 1.74 0.88 0.84 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 10 V 7.94 3.79 2.49 0.00 0.00 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 0.95 0.00 0.00 11 L 8.53 4.25 0.00 1.83 1.77 0.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.62 4.23 0.00 3.26 3.45 0.00 5.65 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.83 3.85 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 1.14 0.00 0.00 0.87 0.00 0.00 14 W 8.49 3.79 0.00 3.68 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 15 A 8.07 4.00 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 16 K 7.87 3.95 0.00 1.44 1.59 0.00 1.67 0.00 0.00 1.51 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.46 7.81 17 V 7.16 2.66 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 0.00 0.00 0.06 0.00 0.00 0.15 0.00 0.00 18 E 7.59 4.01 0.00 2.04 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 2.22 0.00 19 A 7.54 4.20 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 20 D 7.87 4.69 0.00 2.72 2.51 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 0.00 0.00 0.00 0.00 21 V 7.87 3.58 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 0.88 0.00 0.00 0.87 0.00 0.00 22 A 8.01 4.06 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 23 G 8.48 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.24 4.17 0.00 3.26 3.20 0.00 5.82 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 25 G 8.38 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.10 4.03 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 27 D 7.97 4.42 0.00 2.77 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 28 I 7.86 3.62 1.73 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 1.45 0.71 0.72 0.00 0.00 29 Y 7.88 3.69 0.00 2.85 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 30 I 7.92 3.72 1.90 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 1.42 0.70 0.95 0.00 0.00 31 R 8.03 3.78 0.00 1.90 2.04 0.00 2.98 0.00 0.00 2.70 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 32 L 7.96 3.90 0.00 1.71 1.45 1.07 1.08 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 F 8.21 4.57 0.00 3.04 2.90 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 34 K 8.10 4.03 0.00 1.81 1.84 0.00 1.64 0.00 0.00 1.89 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.52 7.81 35 S 8.07 4.27 0.00 3.69 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.20 4.68 0.00 2.94 2.62 0.00 5.63 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 37 P 0.00 4.58 0.00 2.15 2.11 0.00 3.82 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 2.09 2.07 0.00 38 E 8.25 4.27 0.00 2.30 2.30 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 2.28 2.56 0.00 39 T 8.11 3.78 4.44 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 0.84 0.00 0.00 40 L 8.08 3.78 0.00 1.18 1.66 -0.12 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.92 4.16 0.00 2.20 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 0.00 2.37 2.38 0.00 42 K 8.03 4.45 0.00 1.93 1.71 0.00 1.90 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.77 1.97 7.81 43 F 8.21 4.53 0.00 3.37 3.24 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 0.00 44 D 8.55 4.42 0.00 2.62 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.66 3.93 0.00 0.67 1.17 0.00 2.96 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.43 0.00 46 F 7.76 4.98 0.00 2.91 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 47 K 8.09 4.06 0.00 1.86 2.23 0.00 1.59 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.44 7.81 48 H 8.10 4.42 0.00 3.30 3.46 0.00 5.53 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.53 4.10 0.00 1.54 1.55 0.88 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.29 4.35 0.00 1.78 1.83 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.52 7.81 51 T 7.30 4.74 4.23 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 1.20 0.00 0.00 52 E 8.69 3.93 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 2.37 2.37 0.00 53 A 7.97 3.98 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 54 E 7.95 3.94 0.00 2.09 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 2.34 0.00 55 M 8.12 4.14 0.00 2.08 2.26 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.55 0.00 56 K 8.24 3.95 0.00 1.69 1.96 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.48 7.81 57 A 7.79 4.44 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 58 S 7.53 4.26 0.00 3.88 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 59 E 8.73 3.97 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 2.40 2.49 0.00 60 D 8.14 4.47 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 61 L 8.08 2.94 0.00 0.99 1.48 -0.82 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.97 3.85 0.00 1.86 1.99 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.49 7.81 63 K 8.21 3.98 0.00 2.06 1.91 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.50 1.63 7.81 64 Q 8.43 4.22 0.00 2.46 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.73 2.77 0.00 65 G 8.56 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 66 V 7.87 3.60 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 1.01 0.00 0.00 0.98 0.00 0.00 67 R 8.12 3.91 0.00 2.02 2.15 0.00 3.24 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 68 V 8.07 3.65 2.07 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 0.95 0.00 0.00 1.19 0.00 0.00 69 L 8.16 4.20 0.00 1.79 1.92 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.30 4.04 4.33 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 1.26 0.00 0.00 71 A 8.16 4.00 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 72 L 8.10 3.67 0.00 1.55 1.68 0.25 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.50 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 0.00 0.00 0.00 74 A 7.83 3.95 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 75 I 7.49 3.75 1.83 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 1.52 1.01 0.89 0.00 0.00 76 L 7.90 4.00 0.00 1.38 1.61 -0.06 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.82 3.93 0.00 1.75 1.79 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.52 7.81 78 K 7.78 3.91 0.00 1.87 1.78 0.00 1.73 0.00 0.00 1.58 0.00 0.00 3.16 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.57 1.75 7.81 79 K 8.14 2.00 0.00 1.20 0.74 0.00 1.43 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.45 1.02 7.81 80 G 7.72 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 81 H 7.46 4.57 0.00 3.14 3.21 0.00 5.82 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 82 H 7.29 5.40 0.00 3.33 3.47 0.00 5.65 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.23 3.94 0.00 2.12 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 2.40 2.47 0.00 84 A 7.91 4.03 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 85 E 8.14 4.10 0.00 2.23 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 2.39 2.46 0.00 86 L 8.20 4.27 0.00 1.86 1.70 1.01 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.78 3.96 0.00 1.94 1.88 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.78 7.81 88 P 0.00 4.32 0.00 2.31 2.34 0.00 3.94 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.05 0.00 89 L 7.57 4.01 0.00 1.98 1.77 0.97 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.44 4.18 1.47 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 0.00 0.00 0.00 91 Q 8.27 3.93 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 92 S 8.27 4.07 0.00 4.01 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 93 H 8.76 4.28 0.00 3.62 3.67 0.00 5.81 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 94 A 8.22 2.73 1.03 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 95 T 7.45 3.99 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 1.12 0.00 0.00 96 K 7.48 4.09 0.00 1.55 1.61 0.00 1.70 0.00 0.00 1.57 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.19 1.34 7.81 97 H 8.08 4.29 0.00 3.02 3.16 0.00 5.86 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 98 K 7.51 3.27 0.00 1.79 1.73 0.00 1.54 0.00 0.00 1.05 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.08 1.23 7.81 99 I 7.91 4.33 2.13 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 1.36 0.97 1.19 0.00 0.00 100 P 0.00 4.54 0.00 1.88 1.77 0.00 2.96 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 1.18 1.80 0.00 101 I 8.48 3.72 1.82 0.00 0.00 0.57 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 0.91 0.83 0.00 0.00 102 K 7.81 3.93 0.00 1.67 1.65 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.03 0.98 7.81 103 Y 7.96 4.29 0.00 3.28 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 0.00 104 L 8.06 4.21 0.00 1.86 1.84 0.78 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.45 4.03 0.00 2.03 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 2.32 2.43 0.00 106 F 7.89 4.55 0.00 3.22 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 0.00 107 I 8.23 3.82 2.01 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 1.51 1.59 1.07 0.00 0.00 108 S 8.32 4.18 0.00 4.21 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 0.00 109 E 8.55 3.99 0.00 2.16 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 2.39 2.42 0.00 110 A 8.18 4.00 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 0.00 111 I 8.08 3.63 2.10 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 1.57 0.72 1.04 0.00 0.00 112 I 8.00 3.80 2.13 0.00 0.00 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 1.72 0.90 1.14 0.00 0.00 113 H 8.57 4.10 0.00 3.34 3.53 0.00 5.78 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 0.00 114 V 7.98 3.58 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 0.95 0.00 0.00 0.95 0.00 0.00 115 L 7.94 3.77 0.00 0.54 0.40 0.75 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.15 4.40 0.00 3.49 3.64 0.00 5.95 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.85 4.20 0.00 4.02 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 0.00 118 R 8.07 3.97 0.00 1.60 1.59 0.00 3.06 0.00 0.00 3.00 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 119 H 8.20 5.04 0.00 3.22 3.22 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.37 0.00 2.17 2.16 0.00 3.83 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 121 G 8.16 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 0.00 0.00 0.00 122 N 8.45 5.12 0.00 2.75 2.88 0.00 0.00 6.68 7.05 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 0.00 123 F 7.98 4.91 0.00 2.94 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 0.00 124 G 7.91 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 0.00 0.00 0.00 125 A 8.40 3.89 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 0.00 126 D 7.96 4.18 0.00 2.64 2.67 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 0.00 127 A 7.76 3.92 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 0.00 128 Q 7.84 2.96 0.00 1.14 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 129 G 8.16 3.55 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 0.00 0.00 0.00 130 A 7.94 3.82 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 0.00 131 M 8.15 3.97 0.00 2.52 2.42 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.92 0.00 132 N 8.57 4.29 0.00 2.85 2.93 0.00 0.00 6.87 6.47 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 0.00 133 K 8.23 3.80 0.00 1.90 1.71 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.38 7.81 134 A 8.03 3.87 1.25 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 0.00 135 L 8.29 4.11 0.00 1.76 1.83 1.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.71 3.97 0.00 2.17 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 2.34 2.46 0.00 137 L 8.11 3.93 0.00 1.80 1.95 1.03 0.98 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 0.00 138 F 8.41 4.11 0.00 3.14 3.31 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 0.00 139 R 8.24 3.41 0.00 1.82 1.82 0.00 3.18 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.98 0.00 140 K 8.34 3.79 0.00 1.80 1.98 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.45 7.81 141 D 8.24 4.32 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 0.00 142 I 7.66 3.35 1.14 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 -0.36 -0.07 0.00 0.00 143 A 7.92 3.85 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 0.00 144 A 7.88 3.94 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 0.00 145 K 8.02 3.96 0.00 1.92 1.91 0.00 1.82 0.00 0.00 1.65 0.00 0.00 3.15 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.63 1.61 7.81 146 Y 8.45 4.52 0.00 3.14 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 0.00 147 K 8.23 4.01 0.00 1.95 1.87 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.67 7.81 148 E 8.01 4.04 0.00 2.18 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 2.36 2.53 0.00 149 L 7.92 4.30 0.00 1.88 1.74 1.04 0.93 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 0.00 150 G 8.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.21 4.79 0.00 2.72 2.61 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 0.00 152 Q 8.51 3.70 0.00 1.75 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.61 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 153 G 5.38 3.60 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.