NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8153 8.3549 109.7352 45.5096 0.0000 174.8047 *2 I 4.1758 8.6075 123.6265 60.6281 38.6182 175.6458 3 E 4.3763 7.9073 115.9367 55.3094 30.7238 175.2925 4 K 4.5304 8.3724 120.1533 54.4389 34.7590 175.3144 5 V 4.5453 8.0174 124.1973 61.2033 33.9557 174.1768 6 Y 4.8445 8.5649 122.3740 56.1492 41.4809 174.6577 7 E 4.7772 8.8148 121.0806 54.4180 32.6426 175.5273 8 F 5.1491 8.0258 117.0815 54.3809 40.4187 175.0892 9 K 4.0750 9.2060 124.7466 56.5400 32.1506 176.7705 10 R 4.4903 8.4888 125.0733 56.4221 31.3434 175.8142 11 D 5.0260 8.8845 118.1703 54.9907 38.6517 174.0842 12 A 4.1552 7.4586 120.4426 52.5652 18.8033 178.6229 13 K 4.5256 8.6483 119.4210 56.0861 33.2656 175.4293 14 T 4.7151 7.4305 108.5229 58.9039 72.1247 173.5051 15 K 4.2692 8.5579 123.3671 56.7672 32.7862 175.9851 16 V 4.3245 8.9058 127.2350 61.1894 34.7627 174.2111 17 V 4.3321 8.5315 127.3771 61.0949 32.9613 173.6476 18 E 4.3992 9.2325 127.8025 54.7341 30.7930 175.3373 19 K 5.0403 8.4747 125.6538 55.1081 30.7490 176.7595 20 L 4.4053 8.4018 123.3456 56.5673 42.7768 176.5047 21 V 3.9967 7.6768 118.7573 61.2461 33.3901 174.4105 22 N 5.4628 8.7192 126.1677 52.5837 39.7537 172.7742 23 T 4.6349 8.9686 115.2507 58.5919 71.8517 175.6754 24 E 3.7944 8.6661 121.1937 58.8702 29.4952 176.9411 25 H 4.8865 7.8476 113.9755 56.1034 30.6492 174.5510 26 V 4.7243 7.1547 116.4280 60.8592 34.9816 172.4224 27 Q 5.1582 9.0392 120.9251 54.2937 32.5565 174.6510 28 I 5.1278 8.7611 123.3719 59.8003 40.9105 174.2387 29 N 5.5490 9.2983 124.3489 51.5874 42.5091 172.9789 30 H 4.7833 9.1076 121.0480 54.3237 32.7658 172.5213 31 I 4.6587 7.7388 126.0587 59.1678 40.8004 174.4497 32 V 4.6210 8.4576 126.2485 60.9378 34.4081 174.0554 33 L 4.9353 9.1492 127.8015 52.1760 44.4830 174.6371 34 P 4.8506 0.0000 0.0000 61.9132 32.9099 176.1162 35 R 4.0732 8.2317 121.8267 58.5641 30.1580 177.0533 36 G 3.9425 9.3305 113.7086 45.3318 0.0000 172.9115 37 E 4.7477 7.8839 119.5233 55.0903 32.2397 174.5589 38 Q 4.2307 7.8561 119.6429 55.0680 30.5245 172.2978 *40 P 4.1700 0.0000 0.0000 61.8224 32.6064 175.8419 41 K 4.3078 8.5288 123.5298 56.9085 32.5374 175.3753 42 H 4.7257 8.2689 120.3771 55.3966 31.6535 171.7085 43 Y 4.5734 8.7014 117.0671 56.2570 39.2852 176.1069 44 S 4.3135 8.8399 119.6645 58.7099 63.7993 174.5094 45 N 4.9423 8.8719 118.9467 52.7227 37.6415 173.7397 46 S 4.5771 7.3963 113.0121 58.1179 66.2439 171.7254 47 Y 4.5078 8.0593 115.8844 57.9078 38.9500 175.1998 48 V 4.9923 8.8755 124.0512 61.4065 34.9018 173.8410 49 H 5.4616 9.3523 123.8529 54.0456 32.5024 172.3315 50 L 5.1518 9.0627 123.6748 53.3593 43.7490 175.7505 51 I 4.5707 9.2830 126.8605 59.8714 38.8297 175.0909 52 I 4.8136 8.7508 130.1969 60.4275 37.8113 176.6163 53 I 4.5498 8.8564 120.6974 60.8142 39.1521 175.6445 54 K 4.4068 8.0574 123.5361 56.5974 35.7195 176.8011 55 G 4.2209 9.0209 112.9922 45.8642 0.0000 170.4237 56 E 5.1979 8.0361 119.0880 53.8589 33.1080 175.0069 *58 T 4.2977 8.1990 114.4191 63.4930 70.1664 172.9963 59 L 5.0110 9.0109 129.6778 53.5656 44.5474 174.9982 60 T 4.7585 8.6427 123.8002 61.7674 70.4405 173.8698 61 L 4.7672 8.2888 126.1032 52.9876 44.7478 176.3426 62 E 3.3886 8.8394 123.8549 58.0172 29.7427 175.5477 63 D 4.7274 8.6673 126.7261 55.0667 40.8627 176.2405 64 Q 4.2030 7.8244 118.9345 55.2148 29.3130 176.0781 65 E 4.0978 8.4043 119.9095 55.5579 30.1516 175.2959 66 P 4.4563 0.0000 0.0000 63.5394 32.1001 175.1035 67 H 4.9428 9.1588 120.3393 54.0880 31.6518 172.7758 68 N 5.0042 8.2550 119.5465 51.9270 40.2303 174.0337 69 Y 4.8312 8.2448 119.6761 56.2542 42.1833 174.9991 70 K 4.8320 8.6852 122.4173 53.9672 35.5656 175.1533 71 E 4.0171 8.4362 121.6303 58.5875 29.6667 177.4329 72 G 4.0342 9.0005 113.7914 44.9822 0.0000 172.6377 73 N 5.0724 7.9138 117.2896 51.4613 41.3966 173.7932 74 I 4.8939 8.2922 122.6775 59.5299 39.8347 174.9236 75 V 4.1784 8.6508 127.4239 61.0590 34.0464 173.6192 76 Y 4.8343 8.5449 129.3816 56.8863 40.4548 173.8167 77 V 3.8676 8.2689 126.6346 60.0501 34.1137 173.3538 78 P 4.6727 0.0000 0.0000 61.3989 32.2297 175.8864 79 F 4.1038 8.0089 123.4081 58.5053 39.7607 174.4627 80 N 3.9053 7.9444 121.2561 54.6765 36.0591 174.4117 81 V 4.4927 7.5103 117.1609 60.6964 34.6793 175.0898 82 K 3.7927 8.6889 129.0610 55.3034 33.6571 175.2014 *84 L 4.2999 8.2651 125.4814 55.0096 43.5743 175.0802 85 I 4.8179 8.3892 126.4184 59.7376 38.9329 174.9562 86 Q 4.6064 8.9804 125.8422 54.0481 32.6812 175.0544 87 N 4.6572 8.9759 121.6950 52.6551 39.3498 174.8445 88 I 4.0672 8.3769 126.9536 62.4132 38.4471 176.8652 89 N 4.9138 8.0674 113.9839 52.7161 39.0549 174.2394 90 S 4.7677 8.0535 112.0343 56.3513 66.5954 173.8887 91 D 4.5941 8.7728 121.4664 57.2727 41.8226 176.6875 92 I 5.0307 7.6253 118.5599 59.5959 41.7286 173.7810 93 L 5.0894 9.1302 129.7015 53.2321 44.5038 174.5374 94 E 5.1755 9.3187 127.0942 54.3816 32.7288 174.3045 95 F 5.4339 8.5386 120.6369 55.6840 42.1612 173.1205 96 F 5.0841 9.2277 118.4792 55.9577 41.7183 174.9546 97 V 4.9050 8.8518 122.1426 61.2321 33.9463 174.3222 98 V 4.8771 9.1100 128.3315 61.0681 34.1530 174.2367 99 K 5.2746 9.3237 126.9389 54.6432 34.3046 175.1842 100 A 4.9719 8.7945 125.5135 50.0792 23.0640 174.4627 101 P 4.9709 0.0000 0.0000 61.8154 33.6376 175.2871 102 H 4.1472 8.7969 118.6636 55.8234 30.3820 174.0175 103 P 4.4093 0.0000 0.0000 65.0216 31.0764 178.8766 104 K 4.0305 8.3610 116.8806 59.9022 32.1971 179.0375 105 K 4.1453 8.2949 118.6550 58.1369 32.0618 178.0901 106 L 4.4057 7.6364 117.3251 53.9462 43.3732 176.6693 107 N 4.7036 7.6685 119.9190 49.8890 37.4694 174.5120 108 A 4.1242 7.5902 124.9137 53.0840 19.1965 176.6639 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 0 G 8.35 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 I 8.61 4.18 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 1.47 0.59 0.92 0.00 0.00 3 E 7.91 4.38 0.00 2.10 1.96 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 2.26 2.25 0.00 4 K 8.37 4.53 0.00 1.70 1.76 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.88 1.18 7.81 5 V 8.02 4.55 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.92 0.00 0.00 6 Y 8.56 4.84 0.00 2.99 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.81 4.78 0.00 1.92 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 2.15 2.25 0.00 8 F 8.03 5.15 0.00 3.02 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 9 K 9.21 4.07 0.00 1.96 1.88 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.44 7.81 10 R 8.49 4.49 0.00 1.89 1.83 0.00 3.28 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.41 0.00 11 D 8.88 5.03 0.00 2.81 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.46 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.65 4.53 0.00 1.72 1.81 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.33 7.81 14 T 7.43 4.72 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 15 K 8.56 4.27 0.00 1.78 1.76 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.42 7.81 16 V 8.91 4.32 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 0.93 0.00 0.00 0.96 0.00 0.00 17 V 8.53 4.33 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 0.84 0.00 0.00 0.88 0.00 0.00 18 E 9.23 4.40 0.00 2.08 1.96 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 2.29 2.29 0.00 19 K 8.47 5.04 0.00 1.66 1.79 0.00 1.78 0.00 0.00 2.37 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.30 7.81 20 L 8.40 4.41 0.00 1.67 1.75 1.17 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.68 4.00 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 0.85 0.00 0.00 -0.08 0.00 0.00 22 N 8.72 5.46 0.00 2.75 2.71 0.00 0.00 7.01 7.70 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 23 T 8.97 4.63 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 24 E 8.67 3.79 0.00 1.82 1.68 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 2.15 2.25 0.00 25 H 7.85 4.89 0.00 3.21 3.31 0.00 5.75 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.15 4.72 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 0.78 0.00 0.00 1.04 0.00 0.00 27 Q 9.04 5.16 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.29 0.00 28 I 8.76 5.13 1.76 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.90 0.91 0.00 0.00 29 N 9.30 5.55 0.00 2.58 2.71 0.00 0.00 5.96 8.97 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 30 H 9.11 4.78 0.00 2.93 3.03 0.00 5.52 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.74 4.66 0.56 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.12 0.70 0.00 0.00 32 V 8.46 4.62 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 1.08 0.00 0.00 0.75 0.00 0.00 33 L 9.15 4.94 0.00 1.63 1.58 1.06 0.92 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 34 P 0.00 4.85 0.00 2.07 1.98 0.00 3.62 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 2.14 2.19 0.00 35 R 8.23 4.07 0.00 1.90 1.86 0.00 3.26 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 36 G 9.33 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 0.00 0.00 0.00 37 E 7.88 4.75 0.00 2.11 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 2.33 2.37 0.00 38 Q 7.86 4.23 0.00 2.29 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.53 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 *40 P 0.00 4.17 0.00 2.09 2.07 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.08 0.00 41 K 8.53 4.31 0.00 1.74 1.70 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.33 7.81 42 H 8.27 4.73 0.00 3.24 3.35 0.00 5.50 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 8.70 4.57 0.00 2.79 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 44 S 8.84 4.31 0.00 4.07 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.87 4.94 0.00 3.07 3.15 0.00 0.00 5.67 7.64 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 46 S 7.40 4.58 0.00 3.89 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 47 Y 8.06 4.51 0.00 3.33 3.20 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 48 V 8.88 4.99 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 0.90 0.00 0.00 1.03 0.00 0.00 49 H 9.35 5.46 0.00 3.21 3.23 0.00 5.83 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 9.06 5.15 0.00 1.48 1.48 0.75 0.67 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 51 I 9.28 4.57 2.10 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 1.29 0.80 1.00 0.00 0.00 52 I 8.75 4.81 2.00 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 1.25 0.59 0.97 0.00 0.00 53 I 8.86 4.55 1.99 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 1.18 0.70 1.10 0.00 0.00 54 K 8.06 4.41 0.00 1.86 1.67 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.48 7.81 55 G 9.02 4.22 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 0.00 56 E 8.04 5.20 0.00 1.88 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 2.15 2.36 0.00 *58 T 8.20 4.30 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 59 L 9.01 5.01 0.00 1.75 1.65 0.86 0.56 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 60 T 8.64 4.76 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 1.17 0.00 0.00 61 L 8.29 4.77 0.00 1.63 1.43 0.85 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.84 3.39 0.00 1.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.34 0.00 63 D 8.67 4.73 0.00 2.89 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 64 Q 7.82 4.20 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.59 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 65 E 8.40 4.10 0.00 1.95 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 2.30 2.24 0.00 66 P 0.00 4.46 0.00 2.01 2.00 0.00 3.67 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 67 H 9.16 4.94 0.00 3.04 2.81 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 N 8.25 5.00 0.00 2.41 2.71 0.00 0.00 6.78 7.46 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 69 Y 8.24 4.83 0.00 2.87 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 70 K 8.69 4.83 0.00 1.70 1.75 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.36 7.81 71 E 8.44 4.02 0.00 1.98 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 2.38 2.38 0.00 72 G 9.00 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 73 N 7.91 5.07 0.00 2.79 2.66 0.00 0.00 6.74 8.27 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 74 I 8.29 4.89 1.89 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 1.27 0.62 0.97 0.00 0.00 75 V 8.65 4.18 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 0.69 0.00 0.00 0.23 0.00 0.00 76 Y 8.54 4.83 0.00 3.01 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 77 V 8.27 3.87 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 0.73 0.00 0.00 0.77 0.00 0.00 78 P 0.00 4.67 0.00 1.91 2.10 0.00 3.51 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.78 0.00 79 F 8.01 4.10 0.00 1.55 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 0.00 0.00 0.00 80 N 7.94 3.91 0.00 1.95 2.54 0.00 0.00 6.70 7.61 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 81 V 7.51 4.49 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 0.87 0.00 0.00 0.89 0.00 0.00 82 K 8.69 3.79 0.00 0.79 1.20 0.00 1.60 0.00 0.00 1.37 0.00 0.00 2.65 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.09 0.60 7.81 *84 L 8.27 4.30 0.00 1.77 1.50 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.39 4.82 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.69 0.77 0.00 0.00 86 Q 8.98 4.61 0.00 1.84 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.87 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 87 N 8.98 4.66 0.00 2.88 2.86 0.00 0.00 7.17 7.46 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 88 I 8.38 4.07 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.70 0.90 0.00 0.00 89 N 8.07 4.91 0.00 2.73 2.80 0.00 0.00 6.64 7.57 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 90 S 8.05 4.77 0.00 3.95 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 91 D 8.77 4.59 0.00 2.64 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 92 I 7.63 5.03 1.89 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 1.24 1.70 0.93 0.00 0.00 93 L 9.13 5.09 0.00 1.78 1.77 1.01 0.60 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 94 E 9.32 5.18 0.00 2.02 1.74 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 1.98 2.12 0.00 95 F 8.54 5.43 0.00 3.19 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 96 F 9.23 5.08 0.00 3.04 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 97 V 8.85 4.90 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 1.12 0.00 0.00 1.13 0.00 0.00 98 V 9.11 4.88 2.17 0.00 0.00 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 0.96 0.00 0.00 99 K 9.32 5.27 0.00 1.70 1.70 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.42 7.81 100 A 8.79 4.97 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 0.00 101 P 0.00 4.97 0.00 2.12 2.13 0.00 3.97 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 102 H 8.80 4.15 0.00 3.42 3.23 0.00 5.70 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.41 0.00 2.15 2.22 0.00 3.39 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 104 K 8.36 4.03 0.00 2.01 2.16 0.00 1.47 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.54 7.81 105 K 8.29 4.15 0.00 1.85 1.91 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.50 1.64 7.81 106 L 7.64 4.41 0.00 1.45 1.11 0.02 0.62 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 0.00 107 N 7.67 4.70 0.00 2.72 2.87 0.00 0.00 6.96 7.98 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 0.00 108 A 7.59 4.12 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 * Residues marked with a * may have inaccurate shift predictions.