NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 R 4.2040 8.1127 119.0373 55.4423 31.1089 174.4622 7 V 3.5854 8.1132 123.2042 63.3193 31.7128 174.3040 8 G 3.9499 9.5056 117.9958 45.5242 0.0000 173.8123 9 E 4.1745 8.1337 118.8257 57.0815 30.5792 181.7905 10 R 5.4215 8.7279 122.9252 53.6202 33.1385 175.1961 11 F 5.0229 9.4363 124.2303 56.8424 42.9519 173.5389 12 T 4.9194 7.3805 120.7423 62.0844 72.1649 173.2026 13 H 4.4532 8.5092 123.5498 55.2901 33.1482 171.8129 14 D 5.3119 8.4006 125.5461 52.8730 43.4007 176.2804 15 F 4.4886 8.6016 124.2324 57.0802 42.7588 173.3345 16 V 3.8755 7.7225 127.4917 62.2822 32.2321 175.5525 17 V 3.5254 8.5640 129.6868 62.1199 32.3016 173.9335 18 P 4.7540 0.0000 0.0000 60.8818 32.6755 175.1841 19 P 4.2625 0.0000 0.0000 65.5272 31.2842 177.0447 20 H 4.1382 7.8814 111.7667 55.2227 28.8651 175.3279 21 K 3.4906 7.7609 119.1637 56.3840 32.4783 176.4715 22 T 5.6058 7.6159 109.1438 59.6499 70.6412 175.4879 23 V 3.4150 8.6832 121.3826 66.1132 31.1856 178.2575 24 R 4.1555 7.9959 113.3570 58.6302 29.4672 176.8681 25 H 4.6423 8.0950 114.9493 57.0954 29.5172 176.4776 26 L 3.8167 8.0085 120.9592 57.6044 42.0269 176.9223 27 Y 4.6916 7.6241 118.6469 55.1248 38.6963 174.0236 28 P 4.4583 0.0000 0.0000 64.8637 31.8332 178.0656 29 E 3.9949 8.3461 116.7070 58.2074 29.5418 176.5050 30 S 4.4871 7.6838 113.7150 55.8171 62.4043 171.6772 31 P 4.4448 0.0000 0.0000 65.6349 31.3998 178.9422 32 E 4.0347 8.0778 116.3977 59.1142 29.5831 177.9655 33 F 4.8090 8.1254 116.3426 58.6971 39.5545 177.6388 34 A 4.1044 7.9051 125.3354 55.1489 18.2025 178.1161 35 E 4.9079 8.0041 111.1979 55.5547 31.2190 180.4283 36 F 4.3970 8.5441 118.6129 57.1264 39.7084 174.1048 37 P 4.4119 0.0000 0.0000 63.2239 31.7215 177.6738 38 E 4.4581 8.5180 121.4787 55.9403 27.6106 176.2276 39 V 4.8346 7.4761 114.6220 58.5932 36.8757 174.5105 40 F 5.0318 9.3831 125.4377 58.9758 39.5816 174.9592 41 A 4.1434 8.7653 128.3306 52.0418 19.0084 178.2882 42 T 3.6524 8.7643 118.2993 66.7162 69.1216 176.1511 43 G 3.5763 7.9041 109.6555 48.5971 0.0000 174.7978 44 F 4.6327 7.2588 117.8619 57.8913 38.5712 177.6545 *46 V 3.9289 8.0213 121.8750 62.9075 33.0755 176.8102 47 G 3.7404 7.8121 108.1567 48.5082 0.0000 174.9866 48 L 4.1862 8.1360 121.1134 55.4671 41.8122 178.4797 *50 E 4.1208 8.3409 118.1364 55.6297 31.5977 178.1047 51 W 4.2300 8.2985 127.7630 60.3655 30.6526 177.5805 52 A 3.7901 7.7749 120.3198 55.6427 17.5597 179.5147 53 C 2.9157 7.5520 113.0309 62.3444 28.1663 175.9500 54 V 3.6628 7.6614 119.3228 66.1051 31.1764 178.0558 55 R 3.9635 7.8071 116.5343 58.8438 29.8520 179.1404 56 A 3.5222 6.9165 115.2826 53.0397 18.2483 177.8622 *58 A 4.3668 7.9165 124.9821 53.0626 20.3713 178.0905 59 P 4.2391 0.0000 0.0000 64.6695 31.3945 176.5225 60 Y 4.5655 7.7395 113.8127 57.6498 38.9111 175.6158 61 L 4.3808 7.5087 120.9784 53.9879 42.7978 176.7394 62 E 4.3445 8.8993 122.3423 54.8704 30.4100 174.7286 63 P 4.4163 0.0000 0.0000 64.2763 31.9689 177.4598 64 G 4.0136 8.9594 109.4028 45.4764 0.0000 172.8144 65 E 5.0034 7.8064 119.0106 55.0678 31.4949 175.8287 66 G 4.2761 8.8704 108.4099 45.5364 0.0000 171.1315 67 S 5.2275 8.4730 112.5180 56.9093 66.2772 173.4212 68 L 4.7598 8.4784 120.5219 52.6073 45.4538 176.1131 69 G 4.1381 8.7236 109.8331 46.6345 0.0000 173.3523 70 T 4.7896 8.9992 114.0357 61.6139 70.9396 174.0890 71 A 4.7128 7.6330 122.4635 50.9521 22.7714 174.9570 72 I 4.9768 8.2736 120.5080 59.6754 41.2284 174.2484 73 C 4.7368 9.3957 129.4017 57.8550 33.5903 172.6953 74 V 5.1278 8.1246 117.6333 59.6211 35.5826 175.2882 75 T 4.3901 8.6487 113.4266 61.4865 71.0147 173.4748 76 H 5.2889 8.7353 122.1529 55.0768 31.0103 172.4959 77 T 4.5987 9.5397 115.9308 61.8240 69.9659 174.6472 78 A 4.6304 7.9174 122.9761 50.7063 22.2829 174.7486 79 A 4.8174 8.3324 121.3448 50.9302 21.4347 177.0075 80 T 4.6719 8.3581 116.2028 61.0982 72.2554 172.1783 81 P 5.0023 0.0000 0.0000 61.3166 33.2676 174.2465 82 P 4.4873 0.0000 0.0000 63.8429 31.7840 175.9914 83 G 4.0051 8.9428 109.0950 45.4792 0.0000 174.4902 84 L 4.2274 7.2509 118.0270 54.8168 43.5751 176.3291 85 T 4.6857 8.1829 117.9223 62.1360 70.5890 173.8246 86 V 4.3807 8.9958 128.5513 62.2472 33.2486 174.6289 87 T 4.8497 8.8802 125.6123 62.0440 70.5928 173.6443 88 V 4.7968 8.7030 127.7555 61.6624 33.7146 174.4141 89 T 5.0645 8.9916 124.9904 61.8539 70.7706 173.2141 90 A 5.3124 9.1404 128.6971 50.0781 21.9320 174.4284 91 E 5.1521 9.7344 124.2915 53.9573 32.5599 174.8899 92 L 3.5879 8.7879 130.2959 55.4971 42.3404 177.2927 93 R 4.2944 8.6040 125.0369 56.8759 32.4197 176.3332 94 S 4.5090 7.4359 111.0782 57.4783 65.8234 174.7413 95 V 4.3975 8.3582 128.1715 61.4449 32.0507 173.6760 96 E 4.5287 9.0328 125.3768 53.3049 30.5999 175.4221 97 G 4.1049 8.0437 116.1669 44.0446 0.0000 174.2674 98 R 4.1798 8.9002 126.9094 57.2056 31.3904 174.5243 99 R 4.9716 7.8513 119.3434 54.6963 32.0717 175.1605 100 L 5.0076 9.0117 124.4744 52.8465 45.0182 175.4017 101 S 5.1548 8.7946 117.4425 56.2883 65.3610 172.5541 102 W 5.1898 9.3662 126.9953 54.8317 32.3994 174.6719 103 R 4.7848 9.2182 125.1226 55.9095 30.9957 175.5094 104 V 5.1251 8.8828 119.3772 59.9012 35.5320 174.6211 105 S 5.2143 9.0103 116.9611 57.0178 66.3970 172.5986 106 A 5.4659 9.2687 127.5534 50.5175 22.6207 174.6015 107 H 5.3519 9.0661 115.7522 53.7055 32.4919 173.4493 108 D 5.3415 8.4931 118.4746 52.4147 39.4136 177.3714 109 G 4.0782 8.6626 109.9192 45.6862 0.0000 174.4906 110 V 4.1940 7.9851 115.9049 63.8882 33.4884 175.0092 111 D 5.0414 8.7171 118.7177 51.7301 44.0255 174.9737 112 E 4.4316 8.7714 122.9869 56.5300 30.1855 176.4433 113 I 4.4547 8.9163 119.2277 60.4816 40.1256 175.5887 114 G 4.7790 7.8317 110.7597 46.1174 0.0000 172.1522 115 S 5.1714 8.2431 116.6292 56.0350 66.9723 174.1832 116 G 4.2499 7.5712 107.0837 46.7703 0.0000 171.5810 117 T 5.2323 8.3638 118.6866 62.0635 73.0996 172.7337 118 H 5.4397 9.4768 124.3879 54.5384 33.3589 171.8566 119 E 5.3648 9.0294 124.4024 54.7925 32.7277 175.2397 120 R 5.1590 8.9938 120.4918 54.4577 35.1725 173.8016 121 A 5.1588 8.6641 123.9042 49.9352 21.6287 176.0667 122 V 4.2766 8.6970 124.1687 62.8208 32.3787 175.3615 123 I 4.6949 8.7479 120.4651 59.3759 41.7257 173.7247 124 H 5.0944 8.5399 120.3007 54.9998 29.7133 176.2234 125 L 4.0861 9.0272 124.6778 58.0694 41.4097 179.4199 126 E 3.9451 8.2728 117.9753 59.4237 29.2782 179.3059 127 K 3.9951 8.0537 119.1308 59.3196 32.3639 178.6293 128 F 4.1750 8.4169 121.0181 61.4452 39.4086 176.8576 129 N 4.1997 9.0736 116.3698 56.3781 38.2118 177.2492 130 A 3.9625 7.7421 122.1060 55.0248 18.2612 179.8822 131 K 3.9176 7.4677 116.2643 59.1171 32.2150 179.7256 132 V 3.4857 7.3513 118.7600 66.0234 31.5484 177.9602 133 R 3.9230 7.8159 119.1842 58.8239 29.7987 178.4635 134 Q 4.1940 7.7801 116.7293 57.4084 29.0648 176.4261 135 K 4.5058 7.7058 117.0986 56.9251 33.0145 176.0132 136 T 4.1199 7.6839 118.0288 62.7688 69.0349 173.1500 137 P 4.4107 0.0000 0.0000 62.8688 31.3161 176.2225 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 6 R 8.11 4.20 0.00 1.75 1.90 0.00 3.23 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 7 V 8.11 3.59 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 0.83 0.00 0.00 0.80 0.00 0.00 8 G 9.51 3.95 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 0.00 9 E 8.13 4.17 0.00 1.68 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 2.25 2.18 0.00 10 R 8.73 5.42 0.00 1.72 1.91 0.00 3.15 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 11 F 9.44 5.02 0.00 3.08 2.88 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 12 T 7.38 4.92 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 1.05 0.00 0.00 13 H 8.51 4.45 0.00 2.97 3.10 0.00 5.75 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.40 5.31 0.00 2.47 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 15 F 8.60 4.49 0.00 2.87 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.72 3.88 1.75 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 0.56 0.00 0.00 0.75 0.00 0.00 17 V 8.56 3.53 1.85 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 0.79 0.00 0.00 0.24 0.00 0.00 18 P 0.00 4.75 0.00 1.97 1.98 0.00 3.70 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 19 P 0.00 4.26 0.00 2.06 2.18 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 20 H 7.88 4.14 0.00 3.09 3.21 0.00 5.49 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.76 3.49 0.00 1.85 1.53 0.00 0.82 0.00 0.00 0.61 0.00 0.00 2.85 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.07 1.61 7.81 22 T 7.62 5.61 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 1.35 0.00 0.00 23 V 8.68 3.42 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 -0.10 0.00 0.00 0.99 0.00 0.00 24 R 8.00 4.16 0.00 2.00 2.30 0.00 3.07 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.54 0.00 25 H 8.09 4.64 0.00 3.51 3.60 0.00 5.86 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.01 3.82 0.00 1.29 1.69 -0.16 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.62 4.69 0.00 3.29 2.94 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 0.00 0.00 0.00 28 P 0.00 4.46 0.00 2.08 2.15 0.00 3.68 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 2.05 2.16 0.00 29 E 8.35 3.99 0.00 2.13 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 2.40 2.42 0.00 30 S 7.68 4.49 0.00 3.72 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.44 0.00 2.20 2.09 0.00 3.59 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 32 E 8.08 4.03 0.00 1.57 1.90 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 2.21 2.35 0.00 33 F 8.13 4.81 0.00 3.06 2.84 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 34 A 7.91 4.10 1.44 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 0.00 0.00 35 E 8.00 4.91 0.00 1.94 1.76 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 2.11 1.85 0.00 36 F 8.54 4.40 0.00 3.14 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 37 P 0.00 4.41 0.00 2.09 2.02 0.00 3.54 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.08 0.00 38 E 8.52 4.46 0.00 2.01 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 2.38 2.33 0.00 39 V 7.48 4.83 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.09 0.00 0.00 40 F 9.38 5.03 0.00 3.05 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.77 4.14 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 42 T 8.76 3.65 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 1.18 0.00 0.00 43 G 7.90 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 0.00 0.00 0.00 44 F 7.26 4.63 0.00 2.74 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *46 V 8.02 3.93 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 0.71 0.00 0.00 0.90 0.00 0.00 47 G 7.81 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.14 4.19 0.00 2.02 1.78 0.62 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 *50 E 8.34 4.12 0.00 2.22 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 1.87 2.39 0.00 51 W 8.30 4.23 0.00 3.45 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 52 A 7.77 3.79 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 53 C 7.55 2.92 0.00 2.66 1.77 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 54 V 7.66 3.66 2.25 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 0.85 0.00 0.00 0.96 0.00 0.00 55 R 7.81 3.96 0.00 1.43 1.52 0.00 3.07 0.00 0.00 2.94 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.85 0.00 56 A 6.92 3.52 1.16 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 *58 A 7.92 4.37 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 59 P 0.00 4.24 0.00 1.34 1.86 0.00 3.83 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 1.88 1.99 0.00 60 Y 7.74 4.57 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 61 L 7.51 4.38 0.00 1.61 1.61 0.93 0.99 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 62 E 8.90 4.34 0.00 2.05 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 63 P 0.00 4.42 0.00 2.05 2.00 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 64 G 8.96 4.01 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 0.00 0.00 0.00 65 E 7.81 5.00 0.00 2.28 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 66 G 8.87 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 0.00 0.00 0.00 0.00 67 S 8.47 5.23 0.00 3.81 3.78 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 0.00 0.00 0.00 0.00 68 L 8.48 4.76 0.00 1.48 1.45 0.58 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.72 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 70 T 9.00 4.79 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 1.26 0.00 0.00 71 A 7.63 4.71 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 72 I 8.27 4.98 1.90 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 1.21 0.86 0.92 0.00 0.00 73 C 9.40 4.74 0.00 3.01 2.78 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 0.00 0.00 0.00 0.00 74 V 8.12 5.13 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 0.82 0.00 0.00 0.93 0.00 0.00 75 T 8.65 4.39 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 1.24 0.00 0.00 76 H 8.74 5.29 0.00 3.12 3.22 0.00 5.73 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 9.54 4.60 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 1.25 0.00 0.00 78 A 7.92 4.63 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 79 A 8.33 4.82 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 80 T 8.36 4.67 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 1.14 0.00 0.00 81 P 0.00 5.00 0.00 2.12 2.19 0.00 3.71 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 2.06 2.00 0.00 82 P 0.00 4.49 0.00 2.03 1.95 0.00 3.65 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 83 G 8.94 4.01 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 0.00 0.00 0.00 84 L 7.25 4.23 0.00 1.87 1.50 0.88 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.18 4.69 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 1.10 0.00 0.00 86 V 9.00 4.38 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 0.99 0.00 0.00 0.66 0.00 0.00 87 T 8.88 4.85 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 1.19 0.00 0.00 88 V 8.70 4.80 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 1.03 0.00 0.00 0.97 0.00 0.00 89 T 8.99 5.06 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 1.25 0.00 0.00 90 A 9.14 5.31 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 91 E 9.73 5.15 0.00 2.07 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 92 L 8.79 3.59 0.00 0.87 1.18 -0.12 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.60 4.29 0.00 1.72 1.88 0.00 3.40 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 94 S 7.44 4.51 0.00 3.77 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 95 V 8.36 4.40 1.84 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 0.54 0.00 0.00 0.79 0.00 0.00 96 E 9.03 4.53 0.00 2.00 1.77 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 2.16 2.09 0.00 97 G 8.04 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 98 R 8.90 4.18 0.00 1.73 2.10 0.00 3.26 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 99 R 7.85 4.97 0.00 1.73 1.83 0.00 3.32 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 100 L 9.01 5.01 0.00 1.68 1.21 0.92 0.36 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 0.00 101 S 8.79 5.15 0.00 3.78 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 0.00 102 W 9.37 5.19 0.00 3.38 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 R 9.22 4.78 0.00 1.91 1.87 0.00 3.07 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 104 V 8.88 5.13 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 0.77 0.00 0.00 1.00 0.00 0.00 105 S 9.01 5.21 0.00 3.90 3.68 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 0.00 106 A 9.27 5.47 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 0.00 107 H 9.07 5.35 0.00 3.33 3.36 0.00 5.23 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.49 5.34 0.00 2.72 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 0.00 109 G 8.66 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 0.00 110 V 7.99 4.19 2.20 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 0.88 0.00 0.00 0.93 0.00 0.00 111 D 8.72 5.04 0.00 2.68 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.77 4.43 0.00 1.95 1.90 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 2.33 2.26 0.00 113 I 8.92 4.45 2.17 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.87 1.04 0.00 0.00 114 G 7.83 4.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.24 5.17 0.00 3.84 3.95 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 0.00 116 G 7.57 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.36 5.23 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 1.31 0.00 0.00 118 H 9.48 5.44 0.00 3.22 3.18 0.00 5.73 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 0.00 119 E 9.03 5.36 0.00 1.95 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 2.37 2.29 0.00 120 R 8.99 5.16 0.00 1.85 1.83 0.00 3.02 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.50 0.00 121 A 8.66 5.16 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 0.00 122 V 8.70 4.28 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 0.75 0.00 0.00 0.95 0.00 0.00 123 I 8.75 4.69 1.81 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.88 0.78 0.00 0.00 124 H 8.54 5.09 0.00 3.22 3.30 0.00 5.82 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 9.03 4.09 0.00 1.74 1.79 0.94 0.63 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 0.00 126 E 8.27 3.95 0.00 2.04 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 2.43 2.40 0.00 127 K 8.05 4.00 0.00 1.88 2.05 0.00 1.80 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.52 7.81 128 F 8.42 4.18 0.00 3.22 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 N 9.07 4.20 0.00 2.79 2.87 0.00 0.00 6.97 7.67 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 0.00 130 A 7.74 3.96 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 0.00 131 K 7.47 3.92 0.00 1.62 1.77 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.59 7.81 132 V 7.35 3.49 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 1.01 0.00 0.00 0.20 0.00 0.00 133 R 7.82 3.92 0.00 2.00 1.96 0.00 3.16 0.00 0.00 3.17 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 134 Q 7.78 4.19 0.00 1.99 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.96 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 135 K 7.71 4.51 0.00 1.82 1.80 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.53 1.31 7.81 136 T 7.68 4.12 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 137 P 0.00 4.41 0.00 2.03 1.96 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 * Residues marked with a * may have inaccurate shift predictions.