NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *4 K 4.3634 8.1733 122.1404 54.3667 33.7573 176.1793 5 Q 3.9663 8.4694 119.5344 58.1056 28.8369 175.3570 6 K 4.3286 8.0587 115.0719 56.4043 33.7336 176.2180 7 S 4.3992 7.9571 116.0521 58.3331 63.3032 173.2597 8 K 4.9274 9.0576 125.3887 54.8596 35.9677 174.1585 9 Y 4.9486 9.4023 123.9008 56.5166 40.3104 174.3310 10 I 5.0916 8.8007 128.0951 59.5116 40.8126 174.5622 11 V 4.6701 8.5651 126.7767 61.1189 33.8849 174.1814 12 I 4.9502 8.6623 128.8368 59.6152 40.0407 174.3258 13 F 4.8528 9.6137 126.9252 57.0010 41.1896 175.4085 14 G 4.1093 9.8269 113.1922 46.8713 0.0000 173.7252 15 C 4.7330 9.1308 130.7957 58.4127 32.0782 173.8126 16 G 4.1747 7.4656 110.7442 44.1287 0.0000 173.3179 17 R 3.9099 8.5510 118.6528 59.3947 30.2390 178.5222 18 L 3.9465 7.8244 119.3786 58.1510 42.2147 178.9160 19 G 4.3703 8.3379 106.8031 47.4202 0.0000 175.5622 20 S 4.0822 8.3335 116.8359 60.9181 63.0883 176.3470 21 L 3.8955 7.5993 123.3956 58.1095 41.8518 179.1376 22 I 3.6743 7.7498 119.5050 64.0762 36.9331 178.2409 23 A 4.0328 8.2834 122.0220 55.3623 18.2747 179.4406 24 N 4.4575 8.3752 115.1004 56.5421 38.6142 177.7683 25 L 4.0719 8.1875 121.2053 57.0729 41.8626 179.2599 26 A 4.0677 8.4378 121.2127 55.3313 18.3418 179.5994 27 S 3.9445 8.3529 111.8948 61.5316 62.1959 176.4522 28 S 4.2267 8.1226 116.2520 60.6943 62.6923 175.5760 29 S 4.5176 7.7590 117.2041 58.7648 62.8308 174.8046 30 G 3.8318 7.8714 110.4713 45.3040 0.0000 173.4867 31 H 4.7102 7.3375 115.6500 54.6759 30.1665 175.1414 32 S 4.4523 8.9729 117.2949 57.7340 64.0844 173.5616 33 V 4.7476 8.1757 124.8412 60.9302 34.3419 173.9706 34 V 4.7982 8.5392 127.9727 61.1101 33.8368 174.2637 35 V 4.8320 8.7438 127.6777 61.0052 34.5724 174.1143 36 V 5.0253 8.6706 127.4388 61.2710 34.3119 173.6839 37 D 5.1129 9.1243 126.2023 52.6691 44.4412 176.2493 38 K 4.1220 8.8625 122.5245 58.0306 33.3356 176.1662 39 N 4.7515 8.3847 119.3731 51.2909 39.3162 174.6084 40 E 3.8168 8.5333 125.9117 59.7550 29.3866 178.5423 41 Y 4.2536 7.7577 116.5205 60.4749 37.8980 177.8111 42 A 3.9961 7.7929 122.1428 55.0408 18.3760 179.2400 43 F 4.5198 7.4537 115.3540 59.9706 38.6979 176.9504 44 H 4.3637 8.1214 115.5141 57.9492 28.5595 177.0662 45 R 4.1001 7.8629 119.1265 56.9971 30.3542 176.7910 46 L 4.1683 7.2856 119.8080 54.1069 42.4202 176.7079 47 N 4.7899 9.1951 121.3026 51.5097 38.6804 176.2465 48 S 4.1954 8.5254 112.5645 61.2405 62.9497 175.2683 49 E 4.1655 7.7623 117.4459 57.1255 29.6647 176.7917 50 F 3.9965 7.9732 121.9592 58.4670 39.6746 174.7831 51 S 3.9862 9.3070 123.4249 57.2812 61.7252 173.4008 52 G 3.6734 6.5006 113.1122 43.1395 0.0000 169.6016 53 F 5.0337 8.5797 118.5156 55.6680 42.2998 175.0804 54 T 4.7466 8.4229 111.2841 59.8790 71.3986 173.6879 55 V 4.3688 8.4750 122.7062 61.2702 34.8203 174.1705 56 V 4.7025 8.5702 128.3837 62.0223 31.8959 175.1793 57 G 4.0934 8.4569 114.7964 46.1715 0.0000 171.6595 58 D 4.9237 8.1011 120.2054 53.0925 41.1659 176.8232 59 A 4.3330 8.7189 129.2799 53.7206 18.6456 177.3089 60 A 4.0543 8.4333 118.0313 52.3128 19.0396 177.0229 61 E 4.7071 8.1461 117.3636 54.3124 31.5712 176.9220 62 F 4.3389 9.2647 125.4688 61.6630 39.2762 177.0002 63 E 4.0391 8.4513 116.7813 59.7440 29.5038 179.1018 64 T 4.0671 8.0104 115.7847 66.6626 68.5226 176.7103 65 L 4.0552 7.9003 120.3495 57.7364 41.3901 179.5334 66 K 4.0572 7.5663 117.3343 58.5754 32.0069 178.1644 67 E 4.3321 7.6545 116.9364 56.7162 29.6853 176.4993 68 C 4.3969 7.4735 114.9757 58.6593 29.4371 173.7613 69 G 3.8888 7.9048 107.9181 46.7586 0.0000 175.9087 70 M 3.9869 7.5882 120.8296 57.4806 32.2495 178.6982 71 E 4.3925 7.9133 114.7403 57.7090 29.9435 177.5741 72 K 3.9559 7.5750 117.7309 56.6081 32.5839 176.9097 73 A 4.4219 7.4114 122.9927 52.1366 18.8856 177.4174 74 D 4.6488 9.0299 122.4687 57.1152 41.9601 177.0116 75 M 4.9717 7.8294 115.9761 53.8305 36.9428 174.1214 76 V 4.8763 8.3440 121.6285 61.1225 35.2359 174.0492 77 F 4.7755 9.3676 126.4232 55.8001 41.3278 174.6258 78 A 4.6833 8.9871 127.8339 49.8954 18.8522 176.7021 79 F 5.6166 9.0527 124.0142 57.7380 39.9941 175.9615 80 T 4.3959 8.4442 109.5985 61.4730 69.6348 173.4072 81 N 5.5489 8.6257 115.7336 52.1579 37.6018 174.5587 82 D 4.8893 8.2534 118.3435 52.4941 43.8779 175.7100 83 D 4.6172 8.9889 127.3635 57.7461 40.9715 178.8721 84 S 4.3029 8.2740 115.1622 61.9381 62.8327 176.6939 85 T 3.9964 8.8978 118.8202 66.9105 68.2491 176.5035 86 N 4.4891 8.6877 118.4728 56.1724 38.4397 177.3178 87 F 3.9459 8.9863 122.5641 61.0777 39.4734 176.7784 88 F 4.0642 8.5522 120.3404 61.4712 39.1116 176.9822 89 I 3.3594 8.0785 119.4445 64.5928 36.8130 178.7285 90 S 4.0471 8.0812 115.7660 61.6697 62.6778 176.6798 91 M 3.8134 7.8126 121.6591 58.3307 31.6631 178.5030 92 N 4.2474 7.7818 116.3435 56.1451 38.6363 177.1497 93 A 4.1486 8.1908 122.4016 55.3522 18.3490 179.8756 94 R 3.8134 7.8989 117.7986 58.7565 30.1775 178.3685 95 Y 4.5536 7.7273 115.2249 59.4563 38.9499 177.9877 96 M 3.9219 7.8850 117.8255 57.9949 32.4637 177.3019 97 F 4.5986 8.0422 115.2812 56.0949 39.7260 175.5257 98 N 4.2324 8.0606 114.0155 53.4121 36.0850 174.3435 99 V 3.9301 8.1298 120.9646 62.5688 32.5036 176.9857 100 E 3.8658 8.9143 123.9029 58.4514 30.0492 172.7865 101 N 4.7583 7.8912 121.5744 51.8126 40.2696 173.6661 102 V 4.7103 8.0426 126.0342 60.9866 35.0977 173.9234 103 I 5.1044 8.4918 127.9587 59.4233 40.3489 174.3963 104 A 5.3690 9.1340 128.3118 49.9492 22.4720 174.9722 105 R 4.4760 9.0948 121.8618 56.0466 31.4063 176.1718 106 V 4.2241 8.2725 125.2788 61.5214 34.1490 175.6876 107 Y 3.9077 9.8581 127.5278 60.6328 38.2268 175.4323 108 D 4.7670 8.5005 121.3398 52.5749 41.4412 174.9889 109 P 4.2435 0.0000 0.0000 65.6649 31.0739 178.1363 110 E 4.1713 8.4438 116.0542 58.2045 29.3763 178.3019 111 K 4.3622 8.2280 118.0876 57.1393 32.5050 178.6579 112 I 3.6171 7.5604 120.9589 64.2230 36.9835 177.8209 113 K 3.9284 8.1682 119.9131 59.8164 31.7698 178.4560 114 I 3.8089 7.7682 116.9375 63.8382 38.2031 177.5340 115 F 4.4819 8.1605 118.5554 60.8525 38.8922 177.5999 116 E 4.3688 8.4703 119.4284 58.8614 29.0196 179.1200 117 E 4.2302 8.6815 117.9431 58.2441 29.4879 177.8741 118 N 5.1213 7.3289 116.6706 51.7091 39.0131 175.2606 119 G 3.8640 7.9264 107.5294 46.1218 0.0000 173.4465 120 I 4.5225 7.4760 120.5807 59.3171 39.0736 175.4897 121 K 4.5390 8.9187 127.3048 56.4771 33.2719 176.1617 122 T 5.0731 8.4419 112.8520 59.9335 71.8864 173.3668 123 I 4.3338 8.7689 124.8068 59.8943 40.0990 174.2425 124 C 5.2510 8.2947 128.4278 56.2455 33.0480 172.2814 125 P 4.1541 0.0000 0.0000 65.7797 30.9639 178.3366 126 A 3.9848 7.9434 118.7262 55.2087 18.2840 179.7090 127 V 3.5123 7.6706 116.2345 65.9858 31.6934 177.7852 128 L 3.9111 8.1150 120.3057 58.3713 41.8234 178.9494 129 M 4.0260 8.1620 118.5840 58.4806 31.8543 178.8040 130 I 3.6915 7.7450 119.9257 64.4165 37.2826 178.3100 131 E 3.9063 8.4861 119.8097 59.2446 29.3965 179.4317 132 K 3.6426 7.9747 119.6207 59.2491 32.1009 178.9300 133 V 3.6954 7.9037 118.7167 66.1053 31.4194 178.0382 134 K 3.9675 8.2844 118.3513 59.6565 32.0268 179.0551 135 E 4.2449 8.0400 119.9917 58.9101 29.1484 179.2430 136 F 4.7709 7.8804 115.6510 59.2766 39.0183 176.8223 137 I 4.2917 7.3012 118.6488 62.8318 38.2446 177.1907 138 I 4.2710 8.3772 110.6856 59.8577 38.1453 176.2203 139 G 3.8082 7.7293 109.0273 45.9967 0.0000 174.5897 *140 S 4.2519 8.1946 113.5401 58.2172 63.0078 172.5266 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 *4 K 8.17 4.36 0.00 1.65 1.74 0.00 1.53 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.53 7.81 5 Q 8.47 3.97 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 6 K 8.06 4.33 0.00 1.76 1.87 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.43 7.81 7 S 7.96 4.40 0.00 3.95 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 8 K 9.06 4.93 0.00 1.59 1.77 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.58 1.31 7.81 9 Y 9.40 4.95 0.00 2.96 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 10 I 8.80 5.09 1.92 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 1.20 0.60 1.17 0.00 0.00 11 V 8.57 4.67 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 1.03 0.00 0.00 12 I 8.66 4.95 1.84 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.74 0.93 0.00 0.00 13 F 9.61 4.85 0.00 3.05 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 14 G 9.83 4.11 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 0.00 0.00 0.00 15 C 9.13 4.73 0.00 2.94 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 16 G 7.47 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.55 3.91 0.00 1.86 1.99 0.00 3.13 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 18 L 7.82 3.95 0.00 1.58 1.50 0.59 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.34 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 0.00 0.00 0.00 0.00 20 S 8.33 4.08 0.00 4.01 4.13 0.00 0.00 0.00 0.00 0.00 0.00 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 7.60 3.90 0.00 1.89 1.89 0.91 0.85 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 22 I 7.75 3.67 1.78 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 1.63 0.76 0.45 0.00 0.00 23 A 8.28 4.03 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 24 N 8.38 4.46 0.00 2.97 2.92 0.00 0.00 7.10 7.32 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 25 L 8.19 4.07 0.00 1.86 1.73 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.44 4.07 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 27 S 8.35 3.94 0.00 3.72 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 28 S 8.12 4.23 0.00 4.11 4.11 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 29 S 7.76 4.52 0.00 4.01 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 30 G 7.87 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 31 H 7.34 4.71 0.00 3.24 3.40 0.00 5.61 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.97 4.45 0.00 3.82 3.61 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 33 V 8.18 4.75 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 1.23 0.00 0.00 0.94 0.00 0.00 34 V 8.54 4.80 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 0.84 0.00 0.00 0.74 0.00 0.00 35 V 8.74 4.83 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 1.04 0.00 0.00 0.87 0.00 0.00 36 V 8.67 5.03 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 1.02 0.00 0.00 0.44 0.00 0.00 37 D 9.12 5.11 0.00 2.48 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 0.00 0.00 0.00 38 K 8.86 4.12 0.00 1.93 1.97 0.00 1.22 0.00 0.00 1.34 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.39 7.81 39 N 8.38 4.75 0.00 2.78 2.81 0.00 0.00 6.77 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 40 E 8.53 3.82 0.00 2.13 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 0.00 1.61 1.47 0.00 41 Y 7.76 4.25 0.00 3.20 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 42 A 7.79 4.00 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 43 F 7.45 4.52 0.00 2.94 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 H 8.12 4.36 0.00 3.27 3.41 0.00 5.85 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 45 R 7.86 4.10 0.00 1.85 1.97 0.00 3.37 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 46 L 7.29 4.17 0.00 1.55 1.14 0.31 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 47 N 9.20 4.79 0.00 2.95 2.98 0.00 0.00 6.56 7.84 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 48 S 8.53 4.20 0.00 4.01 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 49 E 7.76 4.17 0.00 2.44 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 2.33 2.11 0.00 50 F 7.97 4.00 0.00 2.95 3.03 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 51 S 9.31 3.99 0.00 3.54 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 G 6.50 3.67 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 0.00 0.00 0.00 53 F 8.58 5.03 0.00 2.82 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 54 T 8.42 4.75 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 0.38 0.00 0.00 55 V 8.47 4.37 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 0.95 0.00 0.00 0.88 0.00 0.00 56 V 8.57 4.70 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 1.12 0.00 0.00 57 G 8.46 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 58 D 8.10 4.92 0.00 2.73 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 59 A 8.72 4.33 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 60 A 8.43 4.05 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 61 E 8.15 4.71 0.00 2.24 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 2.25 2.23 0.00 62 F 9.26 4.34 0.00 3.41 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 63 E 8.45 4.04 0.00 2.06 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 0.00 2.48 2.45 0.00 64 T 8.01 4.07 4.54 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 1.32 0.00 0.00 65 L 7.90 4.06 0.00 1.45 1.51 0.76 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.57 4.06 0.00 1.80 1.84 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 0.87 7.81 67 E 7.65 4.33 0.00 2.08 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 2.30 2.55 0.00 68 C 7.47 4.40 0.00 3.02 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 69 G 7.90 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 70 M 7.59 3.99 0.00 1.74 1.07 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 71 E 7.91 4.39 0.00 2.15 2.33 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 2.25 2.27 0.00 72 K 7.58 3.96 0.00 1.06 1.16 0.00 1.50 0.00 0.00 1.52 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.22 1.18 7.81 73 A 7.41 4.42 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 74 D 9.03 4.65 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 75 M 7.83 4.97 0.00 1.52 1.85 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.39 0.00 76 V 8.34 4.88 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 1.12 0.00 0.00 0.97 0.00 0.00 77 F 9.37 4.78 0.00 2.48 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 78 A 8.99 4.68 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 79 F 9.05 5.62 0.00 3.05 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 80 T 8.44 4.40 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 1.39 0.00 0.00 81 N 8.63 5.55 0.00 2.82 3.05 0.00 0.00 6.09 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 82 D 8.25 4.89 0.00 2.86 2.63 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 0.00 83 D 8.99 4.62 0.00 2.90 2.95 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 84 S 8.27 4.30 0.00 4.14 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 85 T 8.90 4.00 4.51 0.00 0.00 0.00 0.00 0.00 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 86 N 8.69 4.49 0.00 3.18 3.14 0.00 0.00 6.70 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 87 F 8.99 3.95 0.00 3.00 3.23 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 88 F 8.55 4.06 0.00 3.18 3.25 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 89 I 8.08 3.36 1.88 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.62 0.28 0.00 0.00 90 S 8.08 4.05 0.00 3.89 3.92 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 91 M 7.81 3.81 0.00 1.80 1.71 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 1.25 1.39 0.00 92 N 7.78 4.25 0.00 2.74 3.01 0.00 0.00 6.94 7.32 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 93 A 8.19 4.15 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 94 R 7.90 3.81 0.00 1.10 0.91 0.00 3.24 0.00 0.00 3.10 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.28 0.00 95 Y 7.73 4.55 0.00 3.01 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 96 M 7.88 3.92 0.00 1.67 1.88 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.22 0.00 97 F 8.04 4.60 0.00 3.25 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 98 N 8.06 4.23 0.00 2.86 2.90 0.00 0.00 7.20 7.68 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 99 V 8.13 3.93 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.03 0.00 0.00 100 E 8.91 3.87 0.00 2.03 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 0.00 2.23 1.86 0.00 101 N 7.89 4.76 0.00 2.76 2.79 0.00 0.00 6.54 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 0.00 102 V 8.04 4.71 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 0.90 0.00 0.00 0.86 0.00 0.00 103 I 8.49 5.10 1.61 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.34 1.17 0.00 0.00 104 A 9.13 5.37 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 0.00 105 R 9.09 4.48 0.00 1.65 1.82 0.00 2.49 0.00 0.00 2.78 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.29 0.00 106 V 8.27 4.22 1.82 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 0.82 0.00 0.00 -0.00 0.00 0.00 107 Y 9.86 3.91 0.00 3.17 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.50 4.77 0.00 2.77 2.63 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 0.00 109 P 0.00 4.24 0.00 2.20 2.10 0.00 3.67 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 110 E 8.44 4.17 0.00 2.07 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 0.00 2.36 2.36 0.00 111 K 8.23 4.36 0.00 2.02 2.05 0.00 1.96 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.45 1.52 7.81 112 I 7.56 3.62 1.99 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 1.34 0.88 0.93 0.00 0.00 113 K 8.17 3.93 0.00 1.85 1.86 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.55 7.81 114 I 7.77 3.81 1.80 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 1.39 0.81 0.59 0.00 0.00 115 F 8.16 4.48 0.00 3.42 3.16 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 0.00 116 E 8.47 4.37 0.00 2.11 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 2.57 2.47 0.00 117 E 8.68 4.23 0.00 1.99 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 2.39 2.57 0.00 118 N 7.33 5.12 0.00 3.06 2.94 0.00 0.00 6.99 7.74 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 0.00 119 G 7.93 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 0.00 0.00 0.00 120 I 7.48 4.52 2.27 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 1.33 1.30 1.13 0.00 0.00 121 K 8.92 4.54 0.00 1.72 1.73 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.38 7.81 122 T 8.44 5.07 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 1.10 0.00 0.00 123 I 8.77 4.33 1.81 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.80 0.79 0.00 0.00 124 C 8.29 5.25 0.00 2.89 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 0.00 125 P 0.00 4.15 0.00 2.19 2.07 0.00 3.47 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 1.95 2.01 0.00 126 A 7.94 3.98 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 0.00 127 V 7.67 3.51 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 1.09 0.00 0.00 0.92 0.00 0.00 128 L 8.11 3.91 0.00 1.89 1.77 0.88 1.16 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 0.00 129 M 8.16 4.03 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.93 0.00 130 I 7.75 3.69 1.86 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 0.82 0.91 0.00 0.00 131 E 8.49 3.91 0.00 2.14 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 2.30 2.45 0.00 132 K 7.97 3.64 0.00 1.85 1.83 0.00 0.90 0.00 0.00 1.33 0.00 0.00 2.90 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.29 0.98 7.81 133 V 7.90 3.70 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 1.03 0.00 0.00 1.05 0.00 0.00 134 K 8.28 3.97 0.00 1.96 1.83 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.64 7.81 135 E 8.04 4.24 0.00 1.84 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 2.26 2.32 0.00 136 F 7.88 4.77 0.00 3.24 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 0.00 137 I 7.30 4.29 1.91 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 1.63 0.78 0.94 0.00 0.00 138 I 8.38 4.27 1.88 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 1.72 0.60 0.92 0.00 0.00 139 G 7.73 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 *140 S 8.19 4.25 0.00 3.61 3.69 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 * Residues marked with a * may have inaccurate shift predictions.