NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *5 S 4.4606 8.3193 117.1055 57.1653 63.8280 174.9716 6 P 4.3573 0.0000 0.0000 62.9317 32.3628 175.6119 7 T 4.1312 9.4637 121.9338 63.4561 69.8966 174.9348 8 I 4.8568 8.2981 126.2972 59.5978 40.4918 174.9194 9 R 4.7264 8.8565 125.4950 54.3078 33.3648 174.7825 10 L 5.1283 8.4272 121.8459 53.1731 43.6934 175.7328 11 E 4.7814 8.7821 122.6484 54.0573 34.0587 175.1564 12 R 4.3326 8.5627 123.2722 56.1932 30.9946 175.2244 13 Y 4.4911 8.8319 128.5771 58.4794 39.4156 175.2125 14 S 4.3524 8.6905 123.0429 56.7964 67.0089 174.6442 *15 E 3.9343 8.8239 115.4043 59.4169 29.0629 175.5354 16 R 4.1976 7.8236 112.7558 57.6503 29.6631 177.0041 17 H 4.8702 8.3188 116.0031 56.1654 29.8926 176.2887 18 V 3.8995 7.7113 120.5994 66.4373 31.2693 177.8129 19 E 4.1076 8.2473 117.6586 59.3333 29.4557 179.3606 20 G 3.5963 8.0507 105.3558 47.7729 0.0000 175.4034 21 L 3.9450 8.6928 123.0560 57.8910 41.5699 179.1934 22 T 4.0106 8.0160 115.8496 66.4215 68.1434 176.6261 23 A 4.0039 7.7897 121.8840 54.7052 18.5116 179.0556 24 L 3.8850 7.7773 118.9762 58.7233 41.9963 178.7181 25 Y 4.4489 7.4330 113.3937 59.5745 37.9871 176.5854 26 N 4.8492 7.5171 116.6183 52.1088 39.0895 174.0367 27 D 4.6077 7.5015 122.4422 52.3329 41.6389 174.8168 28 P 4.2074 0.0000 0.0000 66.0594 31.0918 178.2938 29 A 3.9633 7.9065 117.7038 54.7785 18.3673 179.5928 30 V 3.7851 7.8859 116.5141 65.9757 31.9381 178.1951 31 A 4.2025 8.0337 120.2147 55.0909 18.0216 179.5223 32 R 4.0294 8.2034 113.9922 58.8564 29.6263 178.0981 33 Q 4.7509 7.7737 116.4229 57.9381 29.5388 176.0867 34 V 4.6180 8.0824 114.5645 60.8553 33.5194 176.2840 35 L 4.7886 8.4720 126.4990 55.5251 42.5738 176.5596 36 Q 4.1225 7.8968 117.6902 56.0288 29.3406 175.3369 37 M 4.5376 8.0594 119.5348 53.2523 33.9214 174.5341 38 P 4.4605 0.0000 0.0000 62.3808 32.9851 175.3694 39 Y 3.6874 7.7966 114.0023 59.3829 35.2270 171.7306 40 Q 4.3679 8.6249 117.4500 55.4832 30.4363 176.8430 41 S 4.7382 8.3065 115.8459 57.0491 65.7207 175.4528 42 V 3.8045 8.6324 128.3495 65.9673 31.0549 178.8686 *43 E 3.9985 8.2505 119.9848 61.8338 29.7321 183.1682 44 Q 4.2496 8.1553 122.2880 60.2102 28.1220 180.9783 45 R 4.1657 8.0188 120.0784 59.0861 30.2008 179.1782 46 R 4.1297 8.2457 120.7859 59.3171 29.9477 179.5186 *47 K 4.0875 7.8671 123.9410 59.8907 31.8498 183.8459 48 R 4.1108 8.0902 119.7977 58.9033 29.7781 178.7527 49 L 3.9516 8.0784 119.2674 58.8574 42.1126 178.6274 50 H 4.5372 7.5733 115.4581 59.2337 28.7251 177.7436 51 D 4.5137 7.9505 122.4982 57.5751 40.0019 180.5296 52 S 4.2184 7.7417 117.6669 59.8333 63.9025 175.2023 *54 D 4.4505 8.2043 120.4366 53.2311 40.9123 174.8305 55 D 4.8700 7.4438 121.0773 52.3506 43.9906 175.6507 56 D 4.6616 8.7962 125.4501 55.8297 41.0740 177.3099 57 R 4.1236 8.0358 119.2564 57.2120 30.5646 175.3745 58 L 5.0749 7.6313 119.8849 52.9906 43.9710 175.3169 59 L 4.7939 9.2411 128.7458 53.2748 45.0616 174.8562 60 I 4.9968 8.4814 126.3720 59.5526 40.3220 174.6028 61 L 5.3004 9.1209 126.4684 53.0153 45.6572 175.8033 62 V 4.7967 8.5459 112.9618 59.6025 35.9551 174.5661 63 A 4.8599 8.7895 127.0524 50.8006 20.6226 176.0281 64 L 5.0967 9.0981 122.6226 53.0121 45.4431 175.2073 65 H 4.8904 8.9633 122.9904 54.3703 32.6090 173.4427 66 Q 3.5303 9.7017 126.8157 56.9832 26.2053 174.8629 67 G 4.1073 8.3897 106.2164 45.5835 0.0000 174.0748 68 D 4.5653 7.8156 119.7472 53.2505 41.7459 175.8681 69 V 4.1174 8.2569 123.5388 62.8226 31.8104 175.4310 70 I 4.0475 8.2833 120.6822 59.8822 38.8537 175.0616 71 G 4.0341 7.3434 109.4943 46.7863 0.0000 172.0116 72 S 5.0907 8.2787 113.3134 57.5705 66.4274 172.9060 73 A 5.0052 8.4544 124.1034 51.1422 22.9517 175.4812 74 S 5.1370 8.4718 113.2688 56.5832 67.4182 172.4928 75 L 5.2004 9.1604 122.7703 53.4183 45.5114 174.7281 76 E 5.1870 9.1105 126.3785 54.2869 32.7540 174.2760 77 Q 4.4773 8.9995 129.6272 55.9481 29.5779 175.4202 78 H 4.1926 8.9852 126.6507 55.4901 30.4373 174.5853 79 P 4.3455 0.0000 0.0000 65.1912 31.6950 176.7873 80 R 4.2760 8.0676 119.0625 55.1120 31.3276 176.5323 81 I 3.6514 8.7444 123.3761 64.5039 37.8462 177.5192 82 R 4.2932 7.9779 115.0083 57.5609 30.0562 176.9467 83 R 4.5536 8.1897 116.5886 55.4962 31.8028 177.2355 84 S 4.5018 8.0584 111.8380 59.9211 63.0412 174.6102 85 H 4.7027 8.1676 116.6755 56.6285 29.6843 174.7393 86 S 5.2865 8.2518 114.6716 56.7620 66.3893 173.1681 87 G 4.5928 8.9595 106.6063 44.7758 0.0000 171.3717 88 S 5.3126 9.0819 115.5661 56.0358 65.8713 174.3345 89 I 5.1754 8.1256 118.1555 59.2457 38.9422 176.4969 90 G 3.7018 7.6357 113.0621 47.9448 0.0000 175.6678 91 M 4.8878 8.1968 123.7516 54.5090 32.4115 176.6199 92 G 4.3824 7.7440 104.2857 45.5821 0.0000 173.1461 93 V 4.4316 8.3279 114.4516 60.1819 33.5262 175.6183 94 A 4.6988 8.8978 126.9476 50.4040 20.7870 175.9698 95 V 4.4184 8.1890 121.8618 61.3302 33.8995 175.2199 96 A 4.1191 8.7439 130.4671 54.7350 18.8573 177.9686 97 W 4.6436 8.0340 117.8400 55.6687 28.8758 175.9216 98 Q 4.2924 8.6355 123.2742 56.1341 29.1618 176.9790 99 G 3.9578 8.9452 110.0234 45.7731 0.0000 173.7317 100 K 4.3247 8.0820 117.5551 56.1350 32.3636 177.4773 101 G 4.0166 8.2627 107.7106 45.8317 0.0000 175.9034 102 V 3.6808 7.8035 120.1693 65.7834 31.5355 178.1575 103 G 3.5969 8.0205 105.0914 47.7028 0.0000 175.8041 104 S 4.2662 8.0474 117.0181 61.4575 62.8681 176.6697 105 R 3.9335 7.8536 120.4433 59.2292 29.9115 178.8218 106 L 3.9072 7.7212 118.4218 57.9899 41.7336 179.5682 107 L 3.9443 7.9891 120.1421 58.0144 42.0361 179.2096 108 G 3.6173 8.0784 105.9701 47.5842 0.0000 175.3456 109 E 3.9656 8.3743 121.7793 59.2033 29.6506 178.9805 110 L 4.0336 7.9380 119.0057 57.8167 41.6284 179.5630 111 L 4.0441 8.1580 118.9490 57.4651 41.4046 179.1017 112 D 4.4043 7.9833 117.8996 57.3475 41.1430 178.2887 113 I 3.9194 7.8385 120.0225 64.5409 37.0786 178.3156 114 A 4.0615 8.3717 121.8085 55.0967 18.1452 179.4264 115 D 4.3594 8.4051 117.3470 57.5833 41.0254 178.6027 116 N 4.4024 8.3719 114.9278 54.0729 38.8015 175.8758 117 W 4.5152 8.0601 117.5848 58.5067 31.0288 177.0479 118 M 4.1937 8.5436 116.1125 55.7939 32.0065 175.7689 119 N 4.6317 8.0428 115.1135 53.3277 37.3717 173.9200 120 L 4.2857 8.5618 116.7326 54.8538 42.9461 177.4901 121 R 4.4035 8.9411 121.5835 57.3401 31.9643 176.0222 122 R 5.0585 7.8301 118.2330 54.3521 34.0510 173.8752 123 V 4.8870 8.5828 125.1512 61.2824 34.4213 174.1416 124 E 5.4148 9.3349 127.5393 55.0763 32.7024 174.7374 125 L 4.8223 8.0299 119.8480 55.4322 44.2903 173.4731 126 T 5.4877 8.8611 109.8883 58.9250 72.3680 173.1750 127 V 4.6114 7.8312 121.2341 60.1298 35.3138 173.6178 128 Y 4.7501 8.3775 120.9788 58.2619 38.3867 177.5077 129 T 3.6438 8.4167 113.5659 64.0029 68.8151 174.6725 130 D 4.8001 8.0196 119.1443 53.2955 40.2701 177.4093 131 N 4.6886 8.0293 120.9194 52.0388 36.1060 174.5495 132 A 4.0157 8.0057 127.1208 54.5281 19.0030 177.2791 133 P 4.1364 0.0000 0.0000 65.6881 31.3388 178.6924 134 A 3.5746 7.8528 119.2599 55.0125 18.2743 179.6012 135 L 4.0198 7.9308 117.3072 57.9365 41.7141 179.6386 136 A 3.9802 8.1889 120.7923 55.0094 18.3902 179.3761 137 L 3.9252 7.7541 118.7534 58.6437 42.2437 178.9304 138 Y 4.6104 7.7837 116.8380 61.3077 37.8546 178.5833 139 R 4.4258 8.3633 120.4813 58.6691 29.8989 179.1400 140 K 3.9743 7.9756 117.6406 59.2551 32.0972 178.3203 141 F 4.6541 7.7037 113.8185 57.4117 39.1046 176.6409 142 G 4.0586 8.0741 106.8151 44.9219 0.0000 174.4402 143 F 4.6366 8.5025 119.1757 57.4236 40.4391 174.4786 144 E 4.8235 9.0621 120.9492 54.5383 33.6647 175.3784 145 T 4.3912 8.5904 119.9950 64.0985 68.4663 173.9610 146 E 4.5710 9.4113 125.3941 57.0525 32.1580 175.9818 147 G 4.1521 7.6014 104.2195 45.4443 0.0000 171.9442 148 E 5.1100 8.7983 120.6225 54.6180 32.2932 174.5760 149 M 4.5889 9.1137 127.8368 53.7449 33.9003 175.9102 150 R 5.2206 8.6389 123.1383 55.9524 31.4111 176.2086 151 D 4.5331 9.0809 121.1687 55.5232 38.7929 174.7535 152 Y 4.1910 8.1072 120.2284 60.3466 39.3783 175.2102 153 A 4.7191 7.7897 119.9208 50.6230 22.3822 174.6812 154 V 4.4078 8.2635 119.6361 62.2247 32.5093 175.8127 155 R 4.3865 9.1096 126.7046 56.3386 33.1686 174.4406 156 D 4.4989 9.5206 125.0727 55.6039 38.3117 174.2224 157 G 3.8056 8.9623 102.8445 45.8429 0.0000 173.6165 158 R 4.1459 7.3366 114.9170 54.4174 32.5829 173.3395 159 F 5.2288 8.1011 117.0675 56.9196 39.9445 176.0518 160 V 4.6257 9.0954 116.7655 59.6474 35.7070 174.6804 161 D 5.3889 8.5260 121.3577 53.7954 43.1762 175.9854 162 V 4.7330 8.3307 112.5533 60.0140 36.6781 174.0996 163 Y 4.9905 8.9711 121.0874 57.1224 40.0197 174.6374 164 S 4.6872 9.3530 119.1802 57.3636 64.0468 172.8646 165 M 5.4275 9.0127 126.7236 53.8858 35.8138 174.6884 166 A 5.2402 8.9437 120.6207 50.8814 23.6203 175.2941 167 R 4.4876 8.6951 121.3979 54.4189 32.3396 174.3880 168 L 4.9788 8.4023 126.3333 53.3744 43.6434 176.8624 169 R 4.4324 9.0202 124.1412 54.4219 30.1376 175.6984 170 R 4.1683 8.1171 121.5796 55.8167 30.2882 176.5753 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 *5 S 8.32 4.46 0.00 3.65 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.36 0.00 2.46 2.18 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 7 T 9.46 4.13 4.28 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 1.23 0.00 0.00 8 I 8.30 4.86 1.88 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 1.34 0.88 0.83 0.00 0.00 9 R 8.86 4.73 0.00 1.72 1.78 0.00 3.08 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 10 L 8.43 5.13 0.00 1.47 1.54 0.98 0.79 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 11 E 8.78 4.78 0.00 1.83 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 0.00 2.22 2.21 0.00 12 R 8.56 4.33 0.00 1.79 1.83 0.00 3.32 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 13 Y 8.83 4.49 0.00 2.88 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 14 S 8.69 4.35 0.00 3.86 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 *15 E 8.82 3.93 0.00 1.91 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 2.33 1.92 0.00 16 R 7.82 4.20 0.00 1.83 2.00 0.00 2.89 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.19 0.00 17 H 8.32 4.87 0.00 3.57 3.49 0.00 5.66 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.71 3.90 2.14 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 1.17 0.00 0.00 0.98 0.00 0.00 19 E 8.25 4.11 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 2.40 1.94 0.00 20 G 8.05 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 21 L 8.69 3.95 0.00 1.62 1.70 0.31 0.92 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 22 T 8.02 4.01 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 1.26 0.00 0.00 23 A 7.79 4.00 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 24 L 7.78 3.88 0.00 1.66 1.55 0.68 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 7.43 4.45 0.00 3.02 2.91 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 26 N 7.52 4.85 0.00 2.65 2.67 0.00 0.00 6.84 9.11 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 27 D 7.50 4.61 0.00 2.58 2.69 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 28 P 0.00 4.21 0.00 2.17 2.10 0.00 3.61 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 2.08 2.12 0.00 29 A 7.91 3.96 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 30 V 7.89 3.79 2.32 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 0.96 0.00 0.00 0.95 0.00 0.00 31 A 8.03 4.20 1.46 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 32 R 8.20 4.03 0.00 1.92 2.13 0.00 3.04 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.67 0.00 33 Q 7.77 4.75 0.00 2.13 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.63 0.00 0.00 0.00 0.00 0.00 2.43 2.61 0.00 34 V 8.08 4.62 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 0.80 0.00 0.00 1.19 0.00 0.00 35 L 8.47 4.79 0.00 1.58 1.64 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 7.90 4.12 0.00 1.98 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.53 6.81 0.00 0.00 0.00 0.00 0.00 1.99 1.20 0.00 37 M 8.06 4.54 0.00 2.02 1.98 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 2.53 2.47 0.00 38 P 0.00 4.46 0.00 2.13 1.90 0.00 3.88 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 39 Y 7.80 3.69 0.00 3.10 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 40 Q 8.62 4.37 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.65 0.00 0.00 0.00 0.00 0.00 2.58 2.44 0.00 41 S 8.31 4.74 0.00 4.07 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 42 V 8.63 3.80 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 1.26 0.00 0.00 0.97 0.00 0.00 *43 E 8.25 4.00 0.00 2.01 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 0.00 2.31 1.94 0.00 44 Q 8.16 4.25 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 45 R 8.02 4.17 0.00 1.95 2.14 0.00 3.18 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 46 R 8.25 4.13 0.00 2.03 2.02 0.00 3.11 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 *47 K 7.87 4.09 0.00 1.83 1.79 0.00 1.88 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.35 7.81 48 R 8.09 4.11 0.00 2.00 2.05 0.00 3.11 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 49 L 8.08 3.95 0.00 1.63 1.61 0.71 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 50 H 7.57 4.54 0.00 3.21 3.30 0.00 5.74 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 51 D 7.95 4.51 0.00 2.79 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 52 S 7.74 4.22 0.00 4.11 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 *54 D 8.20 4.45 0.00 2.72 2.54 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 55 D 7.44 4.87 0.00 2.61 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 56 D 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 A 8.45 5.01 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 74 S 8.47 5.14 0.00 3.94 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 75 L 9.16 5.20 0.00 1.70 1.50 0.95 0.90 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 76 E 9.11 5.19 0.00 2.03 1.72 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 2.18 2.22 0.00 77 Q 9.00 4.48 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 78 H 8.99 4.19 0.00 3.20 3.18 0.00 5.64 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.35 0.00 2.21 2.14 0.00 3.37 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.89 0.00 80 R 8.07 4.28 0.00 1.95 1.92 0.00 3.22 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 81 I 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 -0.05 0.93 0.00 0.00 90 G 7.64 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 91 M 8.20 4.89 0.00 1.94 2.07 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.40 0.00 92 G 7.74 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 93 V 8.33 4.43 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 0.93 0.00 0.00 94 A 8.90 4.70 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 95 V 8.19 4.42 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 0.85 0.00 0.00 0.88 0.00 0.00 96 A 8.74 4.12 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 97 W 8.03 4.64 0.00 3.31 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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106 L 7.72 3.91 0.00 1.66 1.68 0.85 0.46 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 0.00 107 L 7.99 3.94 0.00 1.66 1.13 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.08 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 3.97 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 110 L 7.94 4.03 0.00 1.74 1.71 0.89 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.16 4.04 0.00 1.76 1.79 1.07 0.89 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 0.00 112 D 7.98 4.40 0.00 3.00 2.99 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 0.00 113 I 7.84 3.92 2.08 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.77 0.93 0.00 0.00 114 A 8.37 4.06 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 0.00 115 D 8.41 4.36 0.00 2.85 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 0.00 116 N 8.37 4.40 0.00 2.69 2.46 0.00 0.00 7.01 8.06 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 0.00 117 W 8.06 4.52 0.00 3.42 3.30 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 0.00 118 M 8.54 4.19 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.54 0.00 119 N 8.04 4.63 0.00 2.78 2.84 0.00 0.00 7.39 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 0.00 120 L 8.56 4.29 0.00 1.66 1.69 0.95 0.83 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 0.00 121 R 8.94 4.40 0.00 1.89 1.97 0.00 3.02 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 122 R 7.83 5.06 0.00 1.88 1.68 0.00 3.19 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 123 V 8.58 4.89 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 1.17 0.00 0.00 0.93 0.00 0.00 124 E 9.33 5.41 0.00 1.91 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 2.25 2.41 0.00 125 L 8.03 4.82 0.00 1.47 1.35 0.34 -1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 126 T 8.86 5.49 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 0.92 0.00 0.00 127 V 7.83 4.61 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 0.93 0.00 0.00 1.11 0.00 0.00 128 Y 8.38 4.75 0.00 3.07 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 0.00 129 T 8.42 3.64 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 0.32 0.00 0.00 130 D 8.02 4.80 0.00 2.82 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 0.00 131 N 8.03 4.69 0.00 2.97 2.98 0.00 0.00 7.05 7.82 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 0.00 132 A 8.01 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 0.00 133 P 0.00 4.14 0.00 2.15 2.11 0.00 3.79 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 134 A 7.85 3.57 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 0.00 135 L 7.93 4.02 0.00 1.93 1.79 1.17 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.19 3.98 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 0.00 137 L 7.75 3.93 0.00 1.71 1.42 1.10 0.62 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 0.00 138 Y 7.78 4.61 0.00 3.03 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 0.00 139 R 8.36 4.43 0.00 2.00 2.04 0.00 3.27 0.00 0.00 3.28 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 140 K 7.98 3.97 0.00 2.11 1.64 0.00 1.67 0.00 0.00 1.84 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.47 7.81 141 F 7.70 4.65 0.00 3.35 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 0.00 142 G 8.07 4.06 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 0.00 143 F 8.50 4.64 0.00 3.26 3.01 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 0.00 0.00 0.00 144 E 9.06 4.82 0.00 1.90 1.79 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 2.22 2.27 0.00 145 T 8.59 4.39 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 1.10 0.00 0.00 146 E 9.41 4.57 0.00 1.94 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 2.24 2.24 0.00 147 G 7.60 4.15 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 0.00 0.00 0.00 148 E 8.80 5.11 0.00 2.23 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 2.16 2.13 0.00 149 M 9.11 4.59 0.00 2.02 1.75 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 150 R 8.64 5.22 0.00 1.71 1.87 0.00 3.42 0.00 0.00 3.90 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.52 0.00 151 D 9.08 4.53 0.00 2.66 2.45 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 0.00 152 Y 8.11 4.19 0.00 3.08 3.07 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 0.00 153 A 7.79 4.72 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 0.00 154 V 8.26 4.41 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.91 0.00 0.00 155 R 9.11 4.39 0.00 1.42 1.40 0.00 3.15 0.00 0.00 2.96 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.52 0.00 156 D 9.52 4.50 0.00 2.76 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 G 8.96 3.81 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 0.00 0.00 0.00 158 R 7.34 4.15 0.00 1.81 1.88 0.00 2.72 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 159 F 8.10 5.23 0.00 3.11 3.01 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 0.00 0.00 0.00 160 V 9.10 4.63 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 0.76 0.00 0.00 0.97 0.00 0.00 161 D 8.53 5.39 0.00 2.51 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 V 8.33 4.73 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 0.74 0.00 0.00 0.14 0.00 0.00 163 Y 8.97 4.99 0.00 2.91 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 S 9.35 4.69 0.00 3.77 3.73 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 0.00 165 M 9.01 5.43 0.00 2.08 1.84 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 166 A 8.94 5.24 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 0.00 167 R 8.70 4.49 0.00 0.67 0.86 0.00 2.55 0.00 0.00 2.60 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.22 0.00 168 L 8.40 4.98 0.00 1.52 1.53 0.91 0.87 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 0.00 169 R 9.02 4.43 0.00 1.68 1.78 0.00 3.27 0.00 0.00 3.30 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 170 R 8.12 4.17 0.00 1.82 1.80 0.00 3.27 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.