NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.3222 8.0433 122.7546 53.8282 43.9401 175.0970 4 I 4.6405 7.5288 119.5299 58.9960 39.0372 169.4910 5 V 4.5231 9.6112 128.3452 61.1269 35.0667 173.4708 6 N 5.1227 9.0439 125.8209 52.2202 40.3295 174.1894 7 V 4.6839 8.6750 125.0302 61.5115 33.4582 174.3430 8 I 4.8597 8.9383 130.2955 59.6602 39.7141 174.4710 9 N 5.3837 9.1734 125.2428 51.7508 40.8367 175.4798 10 G 4.2820 9.1729 114.2670 43.8020 0.0000 170.8860 11 P 4.3698 0.0000 0.0000 64.4951 31.7627 176.4070 12 N 4.3422 9.0273 116.9971 53.9109 37.1131 175.7569 13 L 4.3482 7.6034 117.2812 55.7330 42.0540 177.7557 14 G 3.7371 7.9444 106.4207 46.4426 0.0000 174.3616 15 R 4.4038 7.5991 118.9640 55.6065 30.9017 176.2662 16 L 4.0223 7.6905 119.3779 56.6478 41.4177 176.4510 17 G 4.4329 8.4099 118.7827 45.3934 0.0000 173.7334 18 R 4.2958 7.4270 116.6613 55.5149 31.1848 177.9421 *25 G 4.0207 7.7553 109.0737 46.8217 0.0000 175.0349 26 G 4.1025 8.5596 110.0493 44.7589 0.0000 172.3382 27 T 4.1163 7.8923 117.7102 63.5979 69.0686 175.1175 28 T 4.8500 8.9116 119.3015 60.4742 71.3991 175.4888 29 H 4.0733 8.5661 119.8622 59.3754 29.9993 176.6010 30 D 4.3396 8.1369 120.2845 57.6386 40.5855 178.6477 31 E 3.9851 7.8147 117.7647 58.9902 29.3286 179.1210 32 L 3.7938 7.6921 120.5305 58.0163 42.1400 178.9948 33 V 3.3800 7.7072 118.0637 66.0282 31.3712 177.7714 34 A 3.9468 7.7415 119.7571 55.1312 18.2054 179.5631 35 L 3.8935 8.1266 117.7134 58.0092 41.6261 179.8923 36 I 3.6779 7.9299 119.9233 64.4454 37.0688 178.3703 37 E 3.9153 8.2261 119.4375 59.4029 29.1420 179.4532 38 R 3.8831 7.9677 118.7842 59.3791 29.6108 178.2407 39 E 3.9363 8.2957 119.0397 59.0779 29.6483 178.6388 40 A 4.0151 8.3913 121.0857 54.9855 18.2973 179.4288 41 A 3.9739 8.1179 119.3323 55.4559 18.2611 179.7708 42 E 3.9816 7.8789 115.8830 58.6922 29.5963 178.5455 43 L 4.4690 7.4435 116.1118 54.1403 42.3181 176.7915 44 G 3.8512 7.9598 106.9700 46.1825 0.0000 173.1617 45 L 5.0050 8.2113 117.6274 52.3161 45.8203 176.0710 46 K 4.5643 9.2351 122.4275 54.7106 34.3177 174.5511 47 A 5.0923 8.6031 129.0684 50.2090 21.1700 175.6615 48 V 4.0478 8.5398 123.4362 61.3452 33.2258 174.5221 49 V 4.6441 8.1575 128.5437 61.3022 32.8795 175.0658 50 R 4.5231 8.6414 126.0972 54.2782 34.3509 173.9661 51 Q 5.1604 8.5909 122.5399 54.6103 31.9802 174.2441 52 S 4.8153 9.1284 119.2492 57.3788 65.9624 174.3299 53 D 4.6040 8.8976 124.5573 55.4061 41.6245 176.9046 54 S 4.4311 8.0926 115.6002 56.8581 63.5313 173.7564 55 E 3.8566 8.7810 129.6798 59.5160 29.5575 178.5022 56 A 3.9166 7.8860 120.1415 55.2701 18.4837 179.2502 57 Q 3.4539 7.5231 116.7637 58.9132 29.0007 178.4226 58 L 4.0673 7.4413 119.6788 57.6344 41.6655 179.3576 59 L 3.8614 7.8600 118.9563 57.7136 41.5930 178.9616 60 D 4.3190 7.7524 117.7124 57.3222 41.1289 178.4801 61 W 4.5263 7.8708 119.1523 59.9206 29.0299 178.6671 62 I 3.8788 8.0477 119.9229 64.5092 36.5268 178.0393 63 H 4.3008 8.6126 117.6088 59.1922 28.5627 177.8578 64 Q 4.0742 8.2618 119.4192 58.9245 28.5594 178.6819 65 A 4.0598 8.0959 121.2298 54.7696 18.1695 179.6568 66 A 3.9665 8.2006 119.5631 55.5467 18.2965 179.6159 67 D 4.3160 8.0069 115.9807 57.1569 41.0276 178.1328 68 A 4.2455 8.1469 118.1454 51.2093 19.6302 176.5863 69 A 3.7273 7.4260 119.2817 53.3606 16.7324 176.8978 70 E 4.8154 7.9265 118.7794 54.3676 32.2678 176.1133 71 P 4.6422 0.0000 0.0000 62.9888 33.0901 175.2338 72 V 4.8112 8.6434 122.0000 61.2389 34.8252 174.1954 73 I 4.8557 9.1685 129.1151 59.7359 39.2086 174.3096 74 L 5.0902 9.2038 130.5353 53.3007 44.6573 174.6714 75 N 5.3082 9.4246 126.0427 51.2502 39.7093 174.5990 76 A 4.3913 8.6561 128.2618 51.4734 20.6902 178.3296 77 G 3.9557 7.9450 105.8673 46.1986 0.0000 177.8385 78 G 3.8014 8.7700 111.4500 48.2769 0.0000 174.9913 79 L 4.2460 7.6780 121.1736 56.9287 41.4394 179.2726 80 T 3.8836 7.7180 115.9029 66.6696 68.1992 175.0772 81 H 5.0607 7.8911 114.5997 56.2790 29.4575 175.8079 82 T 4.5644 7.7889 109.0705 61.1244 70.3269 173.0485 83 S 4.5833 8.1913 117.4952 56.5632 62.4043 174.5099 84 V 3.2916 7.8925 128.4701 65.4370 31.3908 177.3870 85 A 3.9315 7.8396 120.2573 55.2164 18.2429 179.2234 86 L 3.8927 8.0183 118.7515 58.0790 42.2050 179.0627 87 R 3.9041 7.6399 117.9648 59.6976 29.8426 178.2478 88 D 4.3763 8.2315 117.4002 57.1927 41.1759 178.4043 89 A 4.1938 7.9666 121.1024 55.5310 18.3928 179.5833 90 C 4.2165 8.2647 114.6307 62.5047 27.8799 176.1308 91 A 4.0971 7.6721 121.7658 54.9313 17.9705 178.5988 92 E 4.0806 7.9598 115.8078 58.7271 29.8652 177.7447 93 L 4.1458 7.5587 119.6102 54.8992 42.0906 176.9665 94 S 4.4309 8.6522 117.2849 59.9120 64.2635 174.7080 95 A 4.3473 7.6896 120.8354 50.5474 19.2784 175.7701 96 P 4.4454 0.0000 0.0000 62.9834 33.0943 175.2538 97 L 5.2382 8.7762 123.8126 53.4613 45.3820 175.0111 98 I 4.7880 8.8687 127.7530 59.4650 39.6764 174.3684 99 E 4.6969 8.9754 129.5280 55.5726 30.7959 175.2953 100 V 4.8186 8.5774 126.1774 61.3486 34.8843 173.7472 101 H 4.9148 9.1061 124.2236 54.1861 32.1838 174.7097 102 I 3.8389 8.6206 123.8496 64.2036 37.9619 176.7076 103 S 4.7082 7.8802 114.2689 56.6286 64.7171 173.6978 104 N 4.4830 8.3723 120.0610 53.0292 37.4747 175.8849 105 V 3.6559 8.0845 125.6503 63.8107 31.6584 176.8828 106 H 4.4813 7.9097 116.2352 56.3334 29.0872 175.3967 107 A 4.6200 7.8663 121.7012 51.7271 19.4062 177.3205 108 R 4.7628 7.2077 117.2491 55.7855 32.1532 175.3497 109 E 3.9808 8.2500 119.7142 57.2980 30.2793 177.8739 110 E 3.9254 8.4908 120.6786 59.2437 29.7190 179.4828 111 F 4.4026 7.7291 113.2500 59.1543 38.1987 177.0288 112 R 3.4331 6.7190 119.0784 57.7626 29.9996 177.3074 113 R 4.1553 7.5686 115.6755 56.5948 30.4396 175.5023 114 H 4.8628 7.5286 118.2207 54.1230 31.5796 173.5504 115 S 4.6740 7.8490 119.6218 56.6338 64.8944 173.5055 116 Y 4.2377 8.5927 125.5747 60.5233 38.3322 177.2745 117 L 4.2404 8.0185 119.9364 57.6339 42.0813 179.0773 118 S 4.1916 8.3478 114.8946 61.2636 62.8739 175.1236 119 P 4.2903 0.0000 0.0000 64.6483 31.1206 176.9914 120 I 4.2346 7.4212 108.5279 60.4855 38.5724 175.8097 121 A 4.3511 7.3813 123.8983 51.9662 19.2100 177.6453 122 T 4.0612 8.5452 118.0031 66.6022 69.0576 174.8066 123 G 4.0880 7.6142 105.8608 45.1670 0.0000 171.9557 124 V 4.9142 8.0740 119.0712 60.9806 34.4957 174.3943 125 I 4.5458 8.8986 128.7345 59.4869 39.5540 174.8111 126 V 4.6485 7.9188 125.6154 61.9803 35.0251 175.9330 127 G 4.1527 8.6155 114.7208 46.2451 0.0000 173.6753 128 L 4.4770 7.4375 117.4439 53.6582 42.4604 178.8564 129 G 3.8316 7.8386 108.2807 45.9902 0.0000 175.1824 130 I 3.9505 8.3045 117.1061 64.0497 38.0568 178.2318 131 Q 4.3062 8.1963 119.3868 57.7876 29.0812 177.6464 132 G 3.6019 8.0147 107.1317 48.5038 0.0000 175.2567 133 Y 4.1051 7.6330 117.8708 60.9056 37.9300 178.7573 134 L 4.0969 7.9125 119.4273 57.8344 41.8346 179.4205 135 L 4.0899 8.1942 118.7599 57.4932 41.3785 179.3743 136 A 4.0511 8.0055 120.7185 55.0402 18.2930 179.6240 137 L 3.9931 8.1091 117.5783 58.0648 41.4954 179.7955 138 R 3.9539 7.8513 117.5132 59.3464 29.8492 177.5904 139 Y 4.2234 8.1065 119.5611 60.7903 38.8267 178.1781 140 L 3.9661 7.9801 119.7137 57.5541 41.4696 179.2964 141 A 4.0499 7.8683 120.1651 54.6115 18.3682 178.5061 142 E 4.2928 7.5001 113.8999 56.9290 29.8864 176.2980 143 H 4.2664 7.8149 122.1935 55.9370 29.8987 173.0383 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 3 L 8.04 4.32 0.00 1.71 1.63 0.91 0.68 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 4 I 7.53 4.64 1.98 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 1.22 0.82 0.93 0.00 0.00 5 V 9.61 4.52 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 1.01 0.00 0.00 0.95 0.00 0.00 6 N 9.04 5.12 0.00 2.68 2.67 0.00 0.00 6.11 7.20 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 7 V 8.68 4.68 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.95 0.00 0.00 8 I 8.94 4.86 1.95 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.54 1.16 0.00 0.00 9 N 9.17 5.38 0.00 2.69 2.79 0.00 0.00 6.42 7.81 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 10 G 9.17 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 11 P 0.00 4.37 0.00 2.08 2.04 0.00 4.07 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.31 0.00 12 N 9.03 4.34 0.00 3.00 2.98 0.00 0.00 6.92 6.54 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 13 L 7.60 4.35 0.00 1.87 1.79 1.06 0.89 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 14 G 7.94 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 15 R 7.60 4.40 0.00 2.00 1.97 0.00 3.32 0.00 0.00 3.18 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 16 L 7.69 4.02 0.00 1.74 1.89 0.97 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.41 4.43 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 0.00 18 R 7.43 4.30 0.00 1.93 2.04 0.00 3.11 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 *25 G 7.76 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 0.00 0.00 0.00 26 G 8.56 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 27 T 7.89 4.12 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 28 T 8.91 4.85 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 29 H 8.57 4.07 0.00 3.20 3.32 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.14 4.34 0.00 2.72 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 31 E 7.81 3.99 0.00 2.23 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 2.31 2.29 0.00 32 L 7.69 3.79 0.00 1.64 1.64 0.60 0.47 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 33 V 7.71 3.38 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 0.89 0.00 0.00 0.77 0.00 0.00 34 A 7.74 3.95 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 35 L 8.13 3.89 0.00 1.82 1.70 0.91 0.97 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 36 I 7.93 3.68 1.88 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.70 0.87 0.00 0.00 37 E 8.23 3.92 0.00 1.97 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 2.28 2.36 0.00 38 R 7.97 3.88 0.00 1.99 2.04 0.00 3.25 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 1.62 1.77 0.00 39 E 8.30 3.94 0.00 2.24 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 0.00 2.33 2.38 0.00 40 A 8.39 4.02 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 41 A 8.12 3.97 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 42 E 7.88 3.98 0.00 2.31 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 2.22 0.00 43 L 7.44 4.47 0.00 1.78 1.70 0.95 0.93 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 44 G 7.96 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 0.00 0.00 0.00 45 L 8.21 5.01 0.00 1.56 1.53 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 46 K 9.24 4.56 0.00 1.75 1.63 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.34 7.81 47 A 8.60 5.09 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 48 V 8.54 4.05 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 0.84 0.00 0.00 0.87 0.00 0.00 49 V 8.16 4.64 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 0.73 0.00 0.00 0.82 0.00 0.00 50 R 8.64 4.52 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.69 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.09 0.00 51 Q 8.59 5.16 0.00 1.91 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.05 0.00 52 S 9.13 4.82 0.00 3.98 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 53 D 8.90 4.60 0.00 2.71 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 54 S 8.09 4.43 0.00 3.80 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 55 E 8.78 3.86 0.00 2.04 1.89 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 2.33 2.36 0.00 56 A 7.89 3.92 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 57 Q 7.52 3.45 0.00 1.86 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 1.61 1.16 0.00 58 L 7.44 4.07 0.00 1.88 1.75 0.96 0.87 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 59 L 7.86 3.86 0.00 1.70 1.52 0.89 0.71 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 60 D 7.75 4.32 0.00 2.76 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 61 W 7.87 4.53 0.00 3.66 3.06 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 62 I 8.05 3.88 1.98 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 1.58 1.09 0.94 0.00 0.00 63 H 8.61 4.30 0.00 3.34 3.35 0.00 5.64 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 Q 8.26 4.07 0.00 2.42 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.64 0.00 65 A 8.10 4.06 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 0.00 0.00 66 A 8.20 3.97 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 0.00 0.00 67 D 8.01 4.32 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 68 A 8.15 4.25 1.42 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 0.00 0.00 0.00 69 A 7.43 3.73 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 70 E 7.93 4.82 0.00 1.87 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 2.25 2.47 0.00 71 P 0.00 4.64 0.00 2.10 2.02 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 72 V 8.64 4.81 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 1.04 0.00 0.00 1.02 0.00 0.00 73 I 9.17 4.86 1.96 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.56 0.99 0.00 0.00 74 L 9.20 5.09 0.00 1.71 1.51 1.05 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 75 N 9.42 5.31 0.00 2.80 3.06 0.00 0.00 6.93 7.72 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 76 A 8.66 4.39 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 77 G 7.94 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 78 G 8.77 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 79 L 7.68 4.25 0.00 1.83 1.75 0.93 0.66 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 80 T 7.72 3.88 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 1.26 0.00 0.00 81 H 7.89 5.06 0.00 3.33 3.59 0.00 5.60 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 7.79 4.56 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 1.29 0.00 0.00 83 S 8.19 4.58 0.00 3.84 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 84 V 7.89 3.29 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 1.02 0.00 0.00 0.38 0.00 0.00 85 A 7.84 3.93 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 86 L 8.02 3.89 0.00 1.75 1.66 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.64 3.90 0.00 1.98 2.09 0.00 3.42 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 88 D 8.23 4.38 0.00 2.81 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 89 A 7.97 4.19 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 90 C 8.26 4.22 0.00 3.17 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 91 A 7.67 4.10 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 92 E 7.96 4.08 0.00 2.25 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 93 L 7.56 4.15 0.00 1.71 1.64 0.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.65 4.43 0.00 3.98 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.69 4.35 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 96 P 0.00 4.45 0.00 2.19 2.14 0.00 3.58 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 2.18 2.16 0.00 97 L 8.78 5.24 0.00 1.76 1.48 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.87 4.79 1.85 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 1.15 0.80 0.80 0.00 0.00 99 E 8.98 4.70 0.00 2.02 1.78 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 2.23 2.22 0.00 100 V 8.58 4.82 1.70 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 0.19 0.00 0.00 0.70 0.00 0.00 101 H 9.11 4.91 0.00 2.98 3.10 0.00 5.67 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.62 3.84 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 0.99 0.96 0.00 0.00 103 S 7.88 4.71 0.00 3.96 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 0.00 104 N 8.37 4.48 0.00 2.73 2.76 0.00 0.00 6.65 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 0.00 105 V 8.08 3.66 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 0.42 0.00 0.00 0.82 0.00 0.00 106 H 7.91 4.48 0.00 3.18 3.33 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.87 4.62 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 0.00 108 R 7.21 4.76 0.00 1.60 1.64 0.00 3.18 0.00 0.00 3.15 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.65 0.00 109 E 8.25 3.98 0.00 1.16 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 2.36 2.28 0.00 110 E 8.49 3.93 0.00 1.99 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 2.36 2.23 0.00 111 F 7.73 4.40 0.00 3.19 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 R 6.72 3.43 0.00 1.63 1.77 0.00 2.92 0.00 0.00 3.12 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.69 0.00 113 R 7.57 4.16 0.00 1.94 1.98 0.00 3.09 0.00 0.00 3.42 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 114 H 7.53 4.86 0.00 3.06 3.15 0.00 5.89 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 7.85 4.67 0.00 3.77 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 0.00 116 Y 8.59 4.24 0.00 3.16 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 0.00 117 L 8.02 4.24 0.00 1.87 1.72 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 118 S 8.35 4.19 0.00 3.86 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 0.00 119 P 0.00 4.29 0.00 2.06 2.13 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 120 I 7.42 4.23 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.83 0.94 0.00 0.00 121 A 7.38 4.35 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 0.00 122 T 8.55 4.06 4.30 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 1.24 0.00 0.00 123 G 7.61 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 0.00 124 V 8.07 4.91 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 0.86 0.00 0.00 0.95 0.00 0.00 125 I 8.90 4.55 1.76 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 1.03 0.49 0.85 0.00 0.00 126 V 7.92 4.65 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 1.04 0.00 0.00 0.91 0.00 0.00 127 G 8.62 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 0.00 128 L 7.44 4.48 0.00 1.45 1.67 0.90 0.82 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 0.00 129 G 7.84 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 0.00 130 I 8.30 3.95 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.29 0.96 0.00 0.00 131 Q 8.20 4.31 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.65 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 132 G 8.01 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 0.00 133 Y 7.63 4.11 0.00 3.11 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 0.00 134 L 7.91 4.10 0.00 1.84 1.75 0.95 0.69 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 0.00 135 L 8.19 4.09 0.00 1.71 1.73 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.01 4.05 1.42 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 0.00 0.00 0.00 137 L 8.11 3.99 0.00 2.00 1.77 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 138 R 7.85 3.95 0.00 1.98 2.17 0.00 3.30 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 139 Y 8.11 4.22 0.00 3.15 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 0.00 140 L 7.98 3.97 0.00 1.86 1.73 0.99 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 141 A 7.87 4.05 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 0.00 142 E 7.50 4.29 0.00 1.85 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 0.00 2.26 2.31 0.00 143 H 7.81 4.27 0.00 2.75 2.96 0.00 5.88 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.