NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1638 8.0249 120.7873 60.8293 39.1800 174.6802 3 Q 4.5031 8.4118 124.3131 52.3173 32.2754 173.3181 4 S 4.9382 9.1422 116.4683 56.6740 67.1581 173.1986 5 Q 4.5406 8.7622 121.6360 54.9887 29.8680 175.8810 6 I 4.4258 8.1396 110.6418 60.0686 39.1117 174.7355 7 N 4.8925 7.8542 120.2853 51.1394 40.6863 174.8148 8 R 3.9730 8.5731 123.5965 59.1764 29.4856 178.3132 9 N 4.3325 8.6742 117.5226 55.9813 38.3707 177.3613 10 I 3.6991 7.4592 121.4544 64.5597 37.1980 178.6478 11 R 4.0349 7.8948 118.2255 58.9222 30.0191 178.8802 12 L 4.0289 8.1986 119.1865 57.5551 41.5855 179.1373 13 D 4.3404 8.4379 119.4676 57.1437 40.7244 178.3127 14 L 3.9292 7.9686 120.6969 58.1258 41.9470 178.8340 15 A 4.1186 8.1272 120.6812 55.4515 18.3402 179.3092 16 D 4.2918 8.1035 117.0033 57.5085 40.8949 179.0065 17 A 4.0208 8.1149 121.2763 55.0412 18.3296 179.6321 18 I 3.6592 8.1901 118.8092 64.7371 37.2510 178.7188 19 L 4.0629 8.2716 119.9509 57.3954 41.2943 179.3455 20 L 3.9201 7.9823 120.4924 58.2036 42.1053 178.9288 21 S 4.0338 8.0921 113.0489 61.2891 62.2905 175.9365 22 K 3.8212 8.4479 122.4879 59.5172 31.9191 178.6439 23 A 3.9609 8.0816 120.9973 55.0280 18.0773 179.7929 24 K 3.9699 8.1582 116.4332 59.0171 32.2066 178.8056 25 K 4.1878 7.9767 116.0497 55.2814 33.1779 175.7757 26 D 4.2738 7.5602 118.1252 55.1136 39.9935 172.8558 27 L 4.7589 7.7849 117.4098 53.5648 44.0963 177.4503 28 S 4.6492 8.5330 116.0901 56.8416 66.4342 175.4800 29 F 4.1568 8.3793 121.2755 60.5853 38.6114 177.8474 30 A 4.1192 8.0794 120.3308 55.2169 18.1137 179.3915 31 E 3.9719 8.2646 114.9352 59.4055 29.7610 179.0779 32 I 3.8600 7.5297 120.2066 64.0909 37.4553 177.7445 33 A 4.2699 8.2225 121.6514 53.3629 18.3356 177.2781 34 D 4.4888 7.6610 117.3612 56.2013 41.4915 176.5768 35 G 4.0648 9.0943 114.9440 45.7207 0.0000 174.1986 36 T 4.0626 7.7785 115.1917 64.1495 68.8045 176.1959 37 G 3.9767 8.4033 108.2896 45.0781 0.0000 172.9565 38 L 4.6991 7.3437 118.1873 52.2291 44.4572 176.7470 39 A 4.1765 8.2788 123.1392 52.0145 20.3406 178.4555 40 E 3.8879 8.8812 122.7082 59.5945 29.7220 179.4997 41 A 3.9535 7.9449 120.2086 54.8486 18.5028 179.3294 42 F 3.9317 8.1267 118.8778 61.4181 39.6047 177.4894 43 V 3.6013 8.2091 118.1456 66.2505 31.3274 178.1181 44 T 3.7721 8.0749 115.3045 66.5538 68.2348 176.4283 45 A 3.8350 7.8207 122.4278 54.9538 18.3303 179.5213 46 A 4.1940 7.5907 120.4681 54.8398 18.2379 179.7373 47 L 4.0027 7.7820 116.2570 57.7686 41.7355 178.8529 48 L 4.4699 7.6760 116.2148 54.5727 41.6829 177.6282 49 G 3.9474 8.1507 107.3368 45.4613 0.0000 174.3538 50 Q 4.4995 8.1890 116.7146 55.5504 29.8760 174.7113 51 Q 4.6277 7.4139 116.0222 54.3803 33.9396 172.9463 52 A 4.9155 8.4720 121.6593 50.4883 20.9548 176.5331 53 L 4.6577 8.8153 122.5064 52.9301 43.5971 175.3233 54 P 4.3873 0.0000 0.0000 62.3583 32.3024 177.3026 55 A 4.0046 8.7094 121.9679 55.7008 18.2536 179.9519 56 D 4.2823 8.1173 116.5800 57.4512 40.9437 178.7530 57 A 4.0313 8.0171 120.6342 54.9911 18.4947 179.3334 58 A 3.9866 8.3610 119.6425 55.4998 18.4237 180.1351 59 R 3.9181 8.3196 116.8202 59.0371 30.0501 179.1562 60 L 3.9274 7.9519 120.1972 58.4451 42.2179 179.5899 61 V 3.8432 8.3995 112.7556 64.0146 31.3994 178.9150 62 G 3.5834 8.2841 105.7403 47.5520 0.0000 175.6989 63 A 4.0195 8.2394 123.2914 54.9908 18.2145 179.8807 64 K 3.9360 7.9163 115.8228 58.8181 32.1861 178.5361 65 L 4.4459 7.6678 116.0472 53.2439 42.6021 175.8349 66 D 4.3888 7.5728 117.5835 55.2784 38.7571 174.0140 67 L 4.2875 8.1540 118.0172 54.2752 42.9310 177.6420 68 D 4.7484 8.2018 121.2599 52.4236 42.3608 177.2703 69 E 3.9794 8.5381 118.3244 59.7193 29.3620 179.3262 70 D 4.4007 8.1068 118.4292 57.4381 40.8975 178.9053 71 S 4.1553 8.7916 116.1604 61.6117 62.6191 176.7592 72 I 3.7359 7.6940 121.6129 64.1966 37.1055 177.8519 73 L 4.1001 8.0505 121.2464 58.2270 41.6700 179.1279 74 L 4.0565 7.8156 118.0331 57.6191 41.7784 179.1653 75 L 4.1488 8.0238 118.8678 56.7477 42.5592 177.3663 76 Q 4.6350 7.4685 119.3662 53.7554 27.3780 174.8540 *78 I 4.0845 7.3262 119.2360 60.3786 39.2107 174.8865 79 P 4.6672 0.0000 0.0000 62.3200 32.7844 176.2760 80 L 4.3247 8.3181 123.3415 54.2022 41.5404 176.4270 81 R 4.1926 8.4638 125.0379 55.4120 31.0195 175.1003 82 G 3.0932 8.1931 108.8809 44.8771 0.0000 173.1477 83 C 4.3253 8.1185 122.4007 58.2868 30.6902 174.0791 84 I 4.0465 7.4640 122.1865 60.3797 37.5313 174.6614 85 D 4.4899 8.9365 125.8230 57.0988 41.4543 176.6685 86 D 4.6347 7.2974 114.7740 53.1130 41.4255 173.7546 87 R 4.2422 8.1282 127.1013 56.6122 29.1262 176.9442 88 I 4.0315 7.1668 116.0076 58.3673 38.9059 174.1039 89 P 4.4449 0.0000 0.0000 62.9356 31.8149 176.3818 90 T 4.2382 8.2768 110.7307 62.9200 69.8694 175.0037 91 D 4.5373 7.9404 121.5612 53.1240 42.2627 173.9036 92 P 4.4986 0.0000 0.0000 66.3096 31.5038 179.0123 93 T 3.8521 7.5710 108.5066 65.0133 68.0084 174.2807 *95 Y 4.6809 7.8765 125.1536 57.7031 40.4608 177.3062 96 R 4.0275 8.0603 117.8835 59.2953 30.0653 178.7161 97 F 4.1859 8.1403 116.3993 60.2805 39.2709 176.6323 98 Y 4.1683 7.9659 119.0231 60.2305 38.8925 178.5717 99 E 4.1065 8.0871 122.5867 55.6608 29.2639 178.5030 *101 L 4.2391 7.9267 119.0541 54.6948 43.8827 179.7013 102 Q 3.7880 7.6002 116.5606 58.3149 28.4944 178.3352 103 V 3.7327 7.6166 118.4258 64.6644 32.2249 176.6662 104 Y 4.8241 7.6360 113.2034 57.3842 38.8326 177.5299 105 G 3.7022 8.2517 108.8400 48.2677 0.0000 176.0676 106 T 3.9871 7.8574 112.0109 64.5669 68.7864 176.6688 107 T 3.9020 7.9316 118.2273 66.3608 68.4701 176.3433 108 L 3.9833 8.5200 121.3061 57.6110 41.6775 179.3661 109 K 3.7749 8.1383 119.1825 59.5104 32.1747 178.5499 110 A 4.0370 8.1922 121.0196 55.3929 18.2721 179.6871 111 L 4.0478 8.3383 117.7413 57.5538 41.5847 179.9545 112 V 3.8056 8.1245 118.8055 66.3966 31.3673 177.8387 113 H 5.0003 8.2101 117.3539 58.3129 28.2890 177.4526 114 E 3.9329 8.1025 120.1614 59.4232 29.6532 178.7680 115 K 3.9758 8.1944 117.0842 58.0114 32.1834 178.1401 116 F 4.2513 8.4776 115.9361 60.5674 41.3097 174.4286 117 G 3.8797 7.5873 102.9433 43.5856 0.0000 172.1691 118 D 4.6381 8.7327 119.0416 54.4762 42.1492 176.3481 119 G 4.1637 7.8879 111.7324 45.3070 0.0000 172.0928 120 I 4.7816 8.1344 113.8152 59.2754 41.8712 174.5532 121 I 4.5625 8.1071 123.5464 59.7832 37.8207 175.9668 122 S 4.1627 9.1047 123.2447 58.4940 62.7631 173.8123 123 A 3.9041 8.4667 127.6281 51.9132 19.2549 176.6833 124 I 4.3117 7.8791 116.2647 63.5514 39.3464 176.9896 125 N 4.7825 7.8041 122.5273 51.9704 37.5884 171.9506 126 F 5.4617 7.9614 122.0057 56.5554 42.8979 172.5739 127 K 4.5844 8.2849 124.1681 54.8753 36.2413 174.8955 128 L 5.3110 8.1198 120.6009 54.1727 43.6816 174.9981 129 D 4.8316 8.7248 118.7672 52.0240 43.5277 173.9075 130 V 4.8486 8.3351 118.9243 61.1319 33.8876 174.7105 131 K 4.7323 9.0009 126.7170 54.4183 35.8735 174.8510 132 K 4.8987 8.6109 124.7223 55.2319 33.5018 175.6878 133 V 4.5904 8.7985 127.0684 60.5451 34.8718 174.5318 134 A 4.3655 8.6548 128.6727 52.1361 19.2606 176.3528 135 D 4.6129 8.8752 121.9794 52.3799 42.0583 175.8996 136 P 4.2538 0.0000 0.0000 65.5767 31.5028 176.9617 137 E 4.1369 8.5812 117.1274 56.1377 29.6746 176.6385 138 G 4.0921 8.5516 108.3872 45.7350 0.0000 175.5922 139 G 3.9648 9.7725 107.6267 44.6008 0.0000 171.9246 140 E 5.1853 8.3074 120.3598 55.0021 34.0466 175.0771 141 R 4.8136 9.3632 119.8489 54.4343 34.5444 174.1280 142 A 5.1050 8.5994 123.2243 50.4109 21.1814 176.4136 143 V 4.2072 9.0007 123.4278 61.4200 33.4023 174.3795 144 I 4.8877 8.4077 129.2899 59.9950 39.0928 175.2722 145 T 4.5646 8.7330 124.2866 61.7663 70.7643 173.2914 146 L 4.7559 8.5613 126.6728 53.1182 43.6664 175.7087 147 D 4.6019 8.5529 123.5058 52.4719 43.6933 174.1204 148 G 4.6595 8.5387 112.1420 43.7785 0.0000 170.8197 149 K 4.3032 8.8069 124.4641 56.2647 33.5501 175.2261 150 Y 4.7710 8.6185 128.6731 57.3163 39.7688 174.1557 151 L 4.4842 8.4712 127.3338 52.0245 44.1268 174.2065 152 P 4.5962 0.0000 0.0000 62.7432 32.6967 175.8363 153 T 4.4861 8.6050 119.4482 62.4552 69.6774 174.3038 154 K 4.6979 8.5434 125.5178 53.3683 35.6625 174.4009 155 P 4.4651 0.0000 0.0000 62.7251 32.0640 176.4361 156 F 4.5401 7.8058 113.8502 57.1616 37.9831 174.6280 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 2 I 8.02 4.16 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.36 0.91 0.00 0.00 3 Q 8.41 4.50 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.64 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 4 S 9.14 4.94 0.00 3.91 3.77 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 5 Q 8.76 4.54 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 6 I 8.14 4.43 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.66 0.91 0.00 0.00 7 N 7.85 4.89 0.00 2.76 2.68 0.00 0.00 6.96 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 8 R 8.57 3.97 0.00 2.06 2.31 0.00 3.14 0.00 0.00 3.32 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 9 N 8.67 4.33 0.00 2.86 2.91 0.00 0.00 6.85 6.88 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 10 I 7.46 3.70 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.81 0.91 0.00 0.00 11 R 7.89 4.03 0.00 1.80 1.96 0.00 3.28 0.00 0.00 3.50 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 12 L 8.20 4.03 0.00 1.68 1.70 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.44 4.34 0.00 2.87 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 14 L 7.97 3.93 0.00 1.77 1.82 0.92 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.13 4.12 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 16 D 8.10 4.29 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 17 A 8.11 4.02 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 18 I 8.19 3.66 2.06 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 1.53 0.73 0.95 0.00 0.00 19 L 8.27 4.06 0.00 1.84 1.74 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.98 3.92 0.00 1.77 1.80 0.92 0.76 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 21 S 8.09 4.03 0.00 3.93 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 22 K 8.45 3.82 0.00 1.79 1.92 0.00 1.12 0.00 0.00 1.19 0.00 0.00 2.32 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.21 7.81 23 A 8.08 3.96 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 24 K 8.16 3.97 0.00 1.87 1.87 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.61 7.81 25 K 7.98 4.19 0.00 1.70 1.81 0.00 1.82 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.57 7.81 26 D 7.56 4.27 0.00 2.75 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 27 L 7.78 4.76 0.00 1.55 1.43 0.99 0.62 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 28 S 8.53 4.65 0.00 4.03 3.94 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 29 F 8.38 4.16 0.00 3.25 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 30 A 8.08 4.12 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.26 3.97 0.00 2.13 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 0.00 2.55 2.32 0.00 32 I 7.53 3.86 1.93 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.60 0.95 0.00 0.00 33 A 8.22 4.27 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 34 D 7.66 4.49 0.00 2.74 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 35 G 9.09 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 36 T 7.78 4.06 4.49 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 0.00 0.00 0.00 1.37 0.00 0.00 37 G 8.40 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.34 4.70 0.00 1.72 1.67 1.07 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.28 4.18 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 40 E 8.88 3.89 0.00 2.08 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 2.41 2.48 0.00 41 A 7.94 3.95 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 42 F 8.13 3.93 0.00 3.18 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 43 V 8.21 3.60 2.16 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 1.12 0.00 0.00 1.11 0.00 0.00 44 T 8.07 3.77 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 45 A 7.82 3.84 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 46 A 7.59 4.19 1.14 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 47 L 7.78 4.00 0.00 1.87 1.86 1.14 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.68 4.47 0.00 1.54 1.64 0.75 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.15 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 50 Q 8.19 4.50 0.00 1.88 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.71 6.64 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 51 Q 7.41 4.63 0.00 1.29 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.89 0.00 0.00 0.00 0.00 0.00 2.07 1.59 0.00 52 A 8.47 4.92 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 L 8.82 4.66 0.00 1.63 1.65 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.39 0.00 2.20 1.99 0.00 3.73 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 55 A 8.71 4.00 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 56 D 8.12 4.28 0.00 2.71 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 57 A 8.02 4.03 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 58 A 8.36 3.99 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 59 R 8.32 3.92 0.00 1.98 2.00 0.00 3.14 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 60 L 7.95 3.93 0.00 1.93 1.83 0.93 0.79 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 61 V 8.40 3.84 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 0.77 0.00 0.00 1.01 0.00 0.00 62 G 8.28 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 63 A 8.24 4.02 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 64 K 7.92 3.94 0.00 1.93 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.69 7.81 65 L 7.67 4.45 0.00 1.71 1.67 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 66 D 7.57 4.39 0.00 2.80 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 67 L 8.15 4.29 0.00 1.60 1.59 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.20 4.75 0.00 2.94 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 69 E 8.54 3.98 0.00 2.00 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 2.40 2.35 0.00 70 D 8.11 4.40 0.00 2.76 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 71 S 8.79 4.16 0.00 4.03 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 72 I 7.69 3.74 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.54 0.92 0.00 0.00 73 L 8.05 4.10 0.00 1.77 1.82 0.93 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.82 4.06 0.00 1.84 1.71 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.02 4.15 0.00 1.88 1.73 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 7.47 4.64 0.00 2.22 2.08 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 2.55 2.44 0.00 *78 I 7.33 4.08 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.75 0.92 0.00 0.00 79 P 0.00 4.67 0.00 2.12 2.03 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 80 L 8.32 4.32 0.00 1.81 1.65 0.91 0.93 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 81 R 8.46 4.19 0.00 1.82 1.88 0.00 3.25 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 82 G 8.19 3.09 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 0.00 0.00 0.00 0.00 0.00 0.00 83 C 8.12 4.33 0.00 3.05 3.02 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 84 I 7.46 4.05 1.85 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 1.29 0.53 0.89 0.00 0.00 85 D 8.94 4.49 0.00 2.60 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 86 D 7.30 4.63 0.00 2.58 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.13 4.24 0.00 1.98 2.06 0.00 3.22 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 88 I 7.17 4.03 1.74 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.72 0.53 0.00 0.00 89 P 0.00 4.44 0.00 2.18 2.04 0.00 3.36 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 2.07 2.08 0.00 90 T 8.28 4.24 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 1.19 0.00 0.00 91 D 7.94 4.54 0.00 2.68 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 92 P 0.00 4.50 0.00 2.26 2.13 0.00 3.69 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 93 T 7.57 3.85 4.50 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 1.35 0.00 0.00 *95 Y 7.88 4.68 0.00 3.19 3.22 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 96 R 8.06 4.03 0.00 1.59 1.76 0.00 3.41 0.00 0.00 3.38 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.79 0.00 97 F 8.14 4.19 0.00 3.06 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 98 Y 7.97 4.17 0.00 2.92 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 99 E 8.09 4.11 0.00 1.94 1.95 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 2.28 2.36 0.00 *101 L 7.93 4.24 0.00 1.65 1.58 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.60 3.79 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.89 0.00 0.00 0.00 0.00 0.00 1.67 2.35 0.00 103 V 7.62 3.73 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 0.09 0.00 0.00 0.82 0.00 0.00 104 Y 7.64 4.82 0.00 2.97 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 0.00 105 G 8.25 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 0.00 106 T 7.86 3.99 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 1.21 0.00 0.00 107 T 7.93 3.90 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 1.32 0.00 0.00 108 L 8.52 3.98 0.00 1.83 1.72 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.14 3.77 0.00 1.83 1.98 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.46 7.81 110 A 8.19 4.04 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 0.00 111 L 8.34 4.05 0.00 1.72 1.75 0.93 0.80 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 V 8.12 3.81 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 1.04 0.00 0.00 0.95 0.00 0.00 113 H 8.21 5.00 0.00 3.26 3.36 0.00 5.68 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 0.00 114 E 8.10 3.93 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 115 K 8.19 3.98 0.00 1.52 1.25 0.00 1.72 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.56 7.81 116 F 8.48 4.25 0.00 2.50 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 7.59 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 0.00 0.00 0.00 118 D 8.73 4.64 0.00 2.72 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 0.00 119 G 7.89 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 0.00 120 I 8.13 4.78 1.85 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 1.17 0.86 0.91 0.00 0.00 121 I 8.11 4.56 1.82 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.68 0.97 0.00 0.00 122 S 9.10 4.16 0.00 3.88 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 0.00 123 A 8.47 3.90 0.99 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 0.00 0.00 124 I 7.88 4.31 1.87 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 1.14 0.96 0.93 0.00 0.00 125 N 7.80 4.78 0.00 2.80 2.75 0.00 0.00 6.50 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 0.00 126 F 7.96 5.46 0.00 3.14 2.98 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 0.00 0.00 0.00 127 K 8.28 4.58 0.00 1.61 1.67 0.00 1.21 0.00 0.00 1.61 0.00 0.00 2.78 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.13 1.11 7.81 128 L 8.12 5.31 0.00 1.71 1.42 1.01 0.72 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 0.00 129 D 8.72 4.83 0.00 2.68 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 0.00 130 V 8.34 4.85 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 0.88 0.00 0.00 0.91 0.00 0.00 131 K 9.00 4.73 0.00 1.71 1.65 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.50 7.81 132 K 8.61 4.90 0.00 1.78 1.72 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.44 7.81 133 V 8.80 4.59 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 0.75 0.00 0.00 0.94 0.00 0.00 134 A 8.65 4.37 1.24 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 0.00 135 D 8.88 4.61 0.00 2.70 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 0.00 136 P 0.00 4.25 0.00 2.22 2.17 0.00 3.81 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 137 E 8.58 4.14 0.00 2.14 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 2.34 2.25 0.00 138 G 8.55 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 139 G 9.77 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 0.00 0.00 0.00 140 E 8.31 5.19 0.00 1.81 1.81 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 2.22 2.34 0.00 141 R 9.36 4.81 0.00 1.66 1.77 0.00 3.22 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 142 A 8.60 5.10 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 0.00 143 V 9.00 4.21 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 0.97 0.00 0.00 0.94 0.00 0.00 144 I 8.41 4.89 2.01 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.84 0.97 0.00 0.00 145 T 8.73 4.56 4.42 0.00 0.00 0.00 0.00 0.00 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 0.00 146 L 8.56 4.76 0.00 1.64 1.94 1.02 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.55 4.60 0.00 2.58 2.41 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 0.00 148 G 8.54 4.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 K 8.81 4.30 0.00 1.94 1.70 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.45 7.81 150 Y 8.62 4.77 0.00 2.41 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 0.00 151 L 8.47 4.48 0.00 1.43 1.38 0.86 1.04 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 0.00 152 P 0.00 4.60 0.00 2.03 1.92 0.00 3.46 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.89 0.00 153 T 8.60 4.49 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 1.30 0.00 0.00 154 K 8.54 4.70 0.00 1.75 1.73 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.41 7.81 155 P 0.00 4.47 0.00 2.12 1.99 0.00 3.48 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 1.99 2.06 0.00 156 F 7.81 4.54 0.00 3.11 2.96 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 * Residues marked with a * may have inaccurate shift predictions.