NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4848 8.2644 123.5879 52.3385 19.8871 176.5798 2 T 3.9679 7.9030 118.7541 61.0714 69.1663 172.4615 3 K 5.3309 9.1463 128.8164 54.7001 36.4611 174.4071 4 A 5.2966 8.7804 123.9377 50.4353 23.2749 175.1247 5 V 5.0420 8.7033 117.4540 60.5807 35.6810 173.9796 6 C 4.8744 8.8627 121.8557 58.1786 35.4550 172.6723 7 V 4.5754 8.4791 126.5779 61.5864 32.8274 174.3942 8 L 4.6311 8.7084 129.1974 54.2518 43.1030 176.3761 9 K 4.8545 8.9946 121.6763 55.3092 37.0287 176.3115 10 G 4.6282 8.0022 108.7589 44.4426 0.0000 171.7766 11 D 4.4999 8.8613 117.9690 55.9018 41.7007 176.5922 12 G 4.1989 7.6048 108.4115 43.9576 0.0000 171.8351 13 P 4.5195 0.0000 0.0000 62.9134 31.7438 175.8299 14 V 4.1880 7.5537 120.4752 63.1383 31.9077 175.0816 15 Q 4.8181 8.8114 125.4202 55.0572 32.6908 173.9851 16 G 4.2358 8.1464 106.0272 46.2106 0.0000 171.8810 17 I 5.1097 8.1400 119.7332 59.4153 40.7628 175.1983 18 I 4.4828 8.8513 127.6140 59.4997 40.5705 174.3092 19 N 4.8231 8.6307 125.2267 51.4734 40.9118 174.0904 20 F 5.3818 8.7954 120.1437 55.8787 43.3042 173.8302 21 E 5.1778 9.6842 122.7460 55.0364 33.4771 173.6913 22 Q 4.8410 9.2033 127.3568 54.3105 31.0420 175.7396 23 K 4.0975 8.9993 127.3848 58.1194 32.8266 177.6708 24 E 4.7233 7.9303 116.7264 53.8392 31.8609 176.6892 25 S 4.4151 8.9905 118.1407 60.6801 62.8869 174.6878 26 N 4.8819 8.1948 116.8373 52.2371 37.3089 173.8190 27 G 4.2338 8.1036 108.3723 43.1441 0.0000 171.2268 28 P 4.7213 0.0000 0.0000 62.8239 32.5885 175.7530 29 V 4.6827 8.8588 120.8500 61.2098 33.7156 174.6714 30 K 5.0608 9.3265 128.5672 55.9187 33.5994 176.1377 31 V 4.9666 9.2004 124.9987 59.6749 34.0851 174.6361 32 W 5.3896 7.9700 119.9619 54.9540 31.5969 174.9305 33 G 4.1352 7.7269 107.9435 46.3828 0.0000 171.1726 34 S 5.0077 7.8322 116.0070 56.8096 66.3871 173.9045 35 I 5.0273 8.7509 127.7387 59.3569 39.9799 174.9794 36 K 4.8211 9.2991 125.7970 55.5342 35.9880 176.9927 37 G 3.8020 8.9386 106.4724 45.4440 0.0000 173.3171 38 L 4.4340 7.6099 120.0358 53.1311 42.9020 176.3699 39 T 4.2259 8.5525 112.6444 61.5798 69.1253 173.4991 40 E 3.9222 8.4049 124.4163 56.4036 30.4399 174.6205 41 G 4.2921 9.0944 112.0074 43.8253 0.0000 171.5134 42 L 5.0258 8.3180 123.6431 53.6192 44.2138 176.7159 43 H 5.1500 9.5766 124.4172 53.5611 32.1669 173.9271 44 G 4.0845 9.0275 110.4542 46.7176 0.0000 172.7447 45 F 5.6305 8.9763 124.2433 57.2613 42.4536 172.8661 46 H 5.1632 9.0895 123.2742 53.9273 33.4195 173.0830 47 V 4.3098 8.8491 123.3794 62.9819 32.6691 174.8027 48 H 5.2622 9.2788 124.4874 53.8589 31.6709 175.0708 49 E 3.8129 9.2298 121.6486 58.5993 29.8312 177.0002 50 F 5.0237 8.3271 117.4487 54.8961 42.4666 176.5382 51 G 4.4620 8.4479 109.4223 44.4173 0.0000 173.3543 52 D 4.9090 8.0291 117.7365 52.2984 43.6341 174.5514 53 N 5.3049 8.4065 121.7189 52.1609 40.1306 175.5000 54 R 3.8675 8.7027 116.9777 59.1907 30.1171 178.9632 55 A 4.6551 8.0949 118.7752 51.6884 20.0187 177.5699 56 G 3.8638 7.9738 109.0919 46.3663 0.0000 174.4222 57 C 4.3249 8.7224 114.6088 60.1758 38.4160 175.7335 58 T 3.7894 7.9490 116.6638 65.8596 67.8082 175.6614 59 S 4.1799 7.9513 114.8461 59.3316 63.6008 175.2241 60 A 4.4983 7.0038 124.4159 54.3810 18.1261 178.4824 61 G 4.1591 7.9549 104.6544 44.7880 0.0000 171.0581 62 P 4.6500 0.0000 0.0000 62.1777 33.3424 175.6131 63 H 4.3942 8.6223 116.8033 56.2366 29.5750 175.3170 64 F 4.3194 9.2716 125.5691 58.0046 39.7831 174.8864 65 N 4.7834 7.7710 125.1212 50.6943 38.7893 172.4735 66 P 4.0778 0.0000 0.0000 65.0760 31.7971 177.7624 67 L 4.3229 7.5563 116.2378 55.7267 43.8672 176.4756 *80 H 4.7155 7.7134 113.6044 55.3477 29.9371 173.8003 81 V 3.4208 8.5603 124.2341 66.2485 31.3714 177.5827 82 G 3.7505 7.9992 106.1452 46.7866 0.0000 172.6853 83 D 4.5939 7.9262 120.1650 54.8331 39.5240 175.4743 84 L 4.6583 8.2813 123.6122 54.2087 43.2913 178.1215 85 G 4.0789 7.8352 112.6906 46.3947 0.0000 176.0370 86 N 5.5643 8.6939 118.7925 51.3264 42.4922 172.4839 87 V 4.3394 8.8848 114.0044 59.9236 35.6541 175.0470 88 T 4.8390 8.1103 117.8100 61.8462 71.3544 173.1839 89 A 4.6582 10.0858 130.0314 51.1447 20.4197 177.6333 90 D 4.5993 9.0925 122.7243 52.5738 40.8350 177.0773 91 K 4.2035 8.4369 116.7561 59.7357 32.7513 177.9096 92 D 4.3107 8.0673 116.5515 55.0555 40.9185 177.2775 93 G 4.3806 8.1751 107.8526 44.6228 0.0000 172.9032 94 V 4.6289 7.8843 120.4657 61.3246 33.4873 174.4388 95 A 5.4130 8.9133 129.8131 49.5398 21.1494 174.6928 96 D 4.9959 8.6728 122.7210 53.6503 42.5010 176.2746 97 V 4.2758 8.7184 123.7131 61.0928 34.0219 174.4344 98 S 4.8520 8.5736 121.8615 57.0361 64.9621 172.8395 99 I 4.8054 9.2491 128.1468 59.4846 41.5628 173.9738 100 E 5.1988 8.9344 126.3510 54.4683 31.9262 174.3644 101 D 4.9848 9.1244 125.8663 52.6133 44.6448 175.9151 102 S 4.6900 8.8715 119.3691 58.5445 63.6785 174.7894 103 V 4.0915 8.3908 121.1282 64.5881 32.0381 176.5774 104 I 3.9735 7.7491 111.5033 61.4633 38.1535 174.5596 105 S 4.6413 8.5263 114.2491 57.4770 65.4127 174.2976 106 L 4.4920 8.9391 123.8280 54.4725 41.5314 176.4831 107 S 4.4713 7.8017 111.9443 58.2759 66.3091 175.4769 108 G 3.8354 8.5191 108.3603 44.8369 0.0000 173.5636 109 D 4.4447 8.6925 117.2247 57.4097 41.2537 176.8498 110 H 5.0431 8.1258 114.8499 55.6026 28.9651 174.1618 111 C 5.0281 8.3102 120.1716 59.0708 31.8717 173.3709 112 I 3.9051 7.9202 117.4514 60.3651 39.0755 175.6014 113 I 3.6823 7.4159 122.1275 63.1302 37.4261 176.2835 114 G 3.8328 9.5365 113.2613 45.3936 0.0000 173.1947 115 R 4.8346 7.5301 119.3721 55.0323 33.3765 174.6118 116 T 5.0067 7.8697 115.6475 62.2215 71.6270 173.4371 117 L 4.6849 8.8845 128.8024 53.8922 43.7961 175.2131 118 V 5.0403 9.0136 126.8805 60.9825 34.6706 174.2808 119 V 5.1338 8.7522 126.9445 60.5515 33.4521 174.8810 120 H 5.2293 9.2866 122.7307 54.0290 30.6639 174.8363 121 E 4.1755 8.7904 120.7404 58.7070 30.0874 176.6711 122 K 4.8039 8.0190 116.8215 54.0127 35.9724 175.8251 123 A 4.5593 8.4044 123.8841 52.1244 18.9775 177.8014 124 D 4.4544 9.0471 121.2632 52.9988 40.1246 174.9152 *142 S 4.2710 8.0030 118.3588 57.7339 64.2315 171.8083 143 R 4.7020 8.5873 125.3631 54.9969 30.9191 175.8075 144 L 4.5651 8.8332 124.0530 56.0632 44.1129 176.5853 145 A 4.9144 7.5303 117.3882 51.1458 22.5348 174.3451 146 C 5.8448 8.6090 115.5527 53.8050 44.6145 172.7279 147 G 4.4037 8.1173 104.8787 45.6416 0.0000 172.1354 148 V 4.3379 8.1932 120.4551 62.6334 32.4086 175.3648 149 I 4.1941 8.8023 129.8488 60.8845 38.1353 175.2941 150 G 4.4719 8.8086 113.7713 43.7394 0.0000 171.8778 151 I 4.2124 8.4016 121.3339 61.4175 37.4750 175.5170 152 A 4.8299 8.3586 128.0849 49.5945 22.0760 176.0787 153 Q 4.0690 8.5506 119.0748 56.4358 29.1901 176.1246 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 A 8.26 4.48 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 2 T 7.90 3.97 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 3 K 9.15 5.33 0.00 1.92 1.71 0.00 1.74 0.00 0.00 1.96 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.59 7.81 4 A 8.78 5.30 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 5 V 8.70 5.04 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 0.69 0.00 0.00 0.90 0.00 0.00 6 C 8.86 4.87 0.00 3.15 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 7 V 8.48 4.58 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 0.94 0.00 0.00 0.93 0.00 0.00 8 L 8.71 4.63 0.00 1.64 1.59 1.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.99 4.85 0.00 1.66 1.62 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.38 7.81 10 G 8.00 4.63 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 11 D 8.86 4.50 0.00 2.68 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 12 G 7.60 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 0.00 0.00 0.00 0.00 13 P 0.00 4.52 0.00 2.18 2.15 0.00 3.76 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 2.12 1.94 0.00 14 V 7.55 4.19 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 0.80 0.00 0.00 0.95 0.00 0.00 15 Q 8.81 4.82 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.40 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 16 G 8.15 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 0.00 0.00 0.00 0.00 17 I 8.14 5.11 1.82 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.94 0.84 0.00 0.00 18 I 8.85 4.48 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.44 0.42 0.00 0.00 19 N 8.63 4.82 0.00 1.44 1.42 0.00 0.00 6.36 8.01 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 20 F 8.80 5.38 0.00 2.93 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 21 E 9.68 5.18 0.00 2.59 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 2.50 2.51 0.00 22 Q 9.20 4.84 0.00 2.21 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.48 2.62 0.00 23 K 9.00 4.10 0.00 1.81 1.88 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.39 7.81 24 E 7.93 4.72 0.00 2.07 2.02 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 2.26 2.21 0.00 25 S 8.99 4.42 0.00 4.01 4.08 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 26 N 8.19 4.88 0.00 2.83 2.92 0.00 0.00 5.76 7.00 0.00 0.00 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 G 8.10 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 0.00 0.00 0.00 0.00 28 P 0.00 4.72 0.00 2.14 2.11 0.00 3.76 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 29 V 8.86 4.68 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 1.22 0.00 0.00 1.02 0.00 0.00 30 K 9.33 5.06 0.00 2.03 1.88 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.49 1.46 7.81 31 V 9.20 4.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.82 0.00 0.00 32 W 7.97 5.39 0.00 3.45 3.25 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 33 G 7.73 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 0.00 0.00 0.00 34 S 7.83 5.01 0.00 3.99 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 35 I 8.75 5.03 1.81 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 1.27 0.50 0.95 0.00 0.00 36 K 9.30 4.82 0.00 1.75 1.90 0.00 1.32 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.30 1.35 7.81 37 G 8.94 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.61 4.43 0.00 1.90 1.57 0.89 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.55 4.23 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 1.24 0.00 0.00 40 E 8.40 3.92 0.00 2.03 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 41 G 9.09 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.32 5.03 0.00 1.56 1.48 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.58 5.15 0.00 3.03 3.42 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 44 G 9.03 4.08 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 0.00 0.00 0.00 45 F 8.98 5.63 0.00 3.01 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 9.09 5.16 0.00 3.27 2.99 0.00 5.86 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.85 4.31 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 0.70 0.00 0.00 0.87 0.00 0.00 48 H 9.28 5.26 0.00 3.03 3.42 0.00 5.67 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 9.23 3.81 0.00 1.63 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 1.47 2.13 0.00 50 F 8.33 5.02 0.00 3.18 2.86 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 51 G 8.45 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.03 4.91 0.00 2.65 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 53 N 8.41 5.30 0.00 2.78 2.68 0.00 0.00 7.65 7.65 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 54 R 8.70 3.87 0.00 1.89 2.00 0.00 3.16 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 55 A 8.09 4.66 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 56 G 7.97 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 57 C 8.72 4.32 0.00 2.96 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 7.95 3.79 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 1.23 0.00 0.00 59 S 7.95 4.18 0.00 3.96 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 60 A 7.00 4.50 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 61 G 7.95 4.16 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 0.00 62 P 0.00 4.65 0.00 2.10 2.21 0.00 3.73 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 63 H 8.62 4.39 0.00 3.07 3.29 0.00 5.72 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 64 F 9.27 4.32 0.00 3.00 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 65 N 7.77 4.78 0.00 2.57 2.42 0.00 0.00 6.91 7.71 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 66 P 0.00 4.08 0.00 2.10 2.10 0.00 3.02 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.50 0.00 67 L 7.56 4.32 0.00 1.55 1.68 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 *80 H 7.71 4.72 0.00 3.70 3.34 0.00 5.94 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 81 V 8.56 3.42 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 0.70 0.00 0.00 0.52 0.00 0.00 82 G 8.00 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 83 D 7.93 4.59 0.00 2.81 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 84 L 8.28 4.66 0.00 1.87 1.85 0.73 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 85 G 7.84 4.08 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 0.00 0.00 0.00 86 N 8.69 5.56 0.00 2.55 2.67 0.00 0.00 6.61 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 87 V 8.88 4.34 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.73 0.00 0.00 88 T 8.11 4.84 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 1.22 0.00 0.00 89 A 10.09 4.66 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 9.09 4.60 0.00 2.85 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 91 K 8.44 4.20 0.00 1.89 2.23 0.00 1.19 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.42 7.81 92 D 8.07 4.31 0.00 2.85 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 93 G 8.18 4.38 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 0.00 94 V 7.88 4.63 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 0.80 0.00 0.00 0.93 0.00 0.00 95 A 8.91 5.41 1.18 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 0.00 0.00 96 D 8.67 5.00 0.00 2.54 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 97 V 8.72 4.28 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 0.74 0.00 0.00 0.61 0.00 0.00 98 S 8.57 4.85 0.00 3.87 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 99 I 9.25 4.81 2.00 0.00 0.00 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 1.17 0.60 1.01 0.00 0.00 100 E 8.93 5.20 0.00 1.98 1.83 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 2.21 2.31 0.00 101 D 9.12 4.98 0.00 2.89 2.52 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 0.00 102 S 8.87 4.69 0.00 3.91 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 0.00 103 V 8.39 4.09 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 0.78 0.00 0.00 0.95 0.00 0.00 104 I 7.75 3.97 1.92 0.00 0.00 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 1.52 0.79 1.06 0.00 0.00 105 S 8.53 4.64 0.00 3.93 3.85 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 0.00 106 L 8.94 4.49 0.00 1.80 1.65 1.03 0.69 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 0.00 107 S 7.80 4.47 0.00 3.95 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 0.00 108 G 8.52 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 0.00 0.00 0.00 109 D 8.69 4.44 0.00 2.68 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 H 8.13 5.04 0.00 3.23 3.42 0.00 5.64 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.31 5.03 0.00 3.06 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 I 7.92 3.91 1.57 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.13 0.93 0.00 0.00 113 I 7.42 3.68 1.75 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.31 0.87 0.00 0.00 114 G 9.54 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 0.00 115 R 7.53 4.83 0.00 1.54 1.86 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.24 0.00 116 T 7.87 5.01 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 0.00 117 L 8.88 4.68 0.00 1.75 1.55 0.23 0.64 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 0.00 118 V 9.01 5.04 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 0.79 0.00 0.00 0.79 0.00 0.00 119 V 8.75 5.13 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.00 0.00 0.00 120 H 9.29 5.23 0.00 3.09 3.35 0.00 5.66 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 0.00 121 E 8.79 4.18 0.00 2.20 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 2.37 2.32 0.00 122 K 8.02 4.80 0.00 1.76 1.70 0.00 1.74 0.00 0.00 1.85 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.45 7.81 123 A 8.40 4.56 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 9.05 4.45 0.00 2.71 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *142 S 8.00 4.27 0.00 3.99 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 0.00 143 R 8.59 4.70 0.00 1.69 1.76 0.00 3.21 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.63 0.00 144 L 8.83 4.57 0.00 1.71 1.67 0.87 0.89 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 0.00 145 A 7.53 4.91 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 0.00 146 C 8.61 5.84 0.00 2.93 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 G 8.12 4.40 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 0.00 148 V 8.19 4.34 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 0.80 0.00 0.00 0.96 0.00 0.00 149 I 8.80 4.19 1.76 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.55 0.34 0.00 0.00 150 G 8.81 4.47 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 0.00 151 I 8.40 4.21 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 1.25 0.53 0.90 0.00 0.00 152 A 8.36 4.83 1.20 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 0.00 0.00 153 Q 8.55 4.07 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.