NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4721 8.3144 122.0568 56.2505 33.5924 174.3788 3 K 4.4504 8.6466 129.3707 53.8596 34.7440 173.8235 4 I 4.3150 9.3757 130.0733 61.6150 38.3679 174.8362 5 I 4.4647 8.6629 127.7510 59.6900 38.6236 175.0262 6 E 4.7495 8.7047 126.8341 54.5792 32.1927 174.3694 7 T 4.6471 9.1968 122.2584 61.4865 70.5998 174.0367 8 Q 4.3733 8.5408 123.6520 55.7606 28.7022 177.0401 9 R 4.2966 7.8443 114.4182 57.5431 30.4071 175.9463 10 A 4.8559 7.4517 120.0803 48.9423 22.2933 174.0848 11 P 4.4069 0.0000 0.0000 62.2792 32.0019 176.8840 12 G 3.6289 8.5264 110.2044 45.0588 0.0000 173.1587 13 A 3.8615 8.4714 125.8048 52.7633 18.5208 177.2659 14 I 4.2329 8.7317 116.2129 60.0668 37.8757 175.5593 15 G 4.0036 6.6206 108.6390 45.3926 0.0000 172.7612 16 P 4.5320 0.0000 0.0000 61.3909 29.3356 174.0597 17 Y 4.8686 6.7157 120.1913 56.7396 41.4334 175.0368 18 V 4.5446 8.0780 112.7524 59.4193 34.6594 176.3135 19 Q 4.3576 8.6915 120.4513 59.1100 29.8665 176.3617 20 G 4.5508 7.8238 103.5716 45.1911 0.0000 172.3179 21 V 5.0071 8.9274 120.5145 60.8655 35.3103 173.6193 22 D 5.2022 9.4111 127.7152 52.6047 42.9237 176.1255 23 L 4.3799 9.2993 125.8606 54.5366 41.8726 177.2599 24 G 4.3223 8.9536 115.4817 45.7374 0.0000 175.3012 25 S 4.3874 7.8730 114.2973 60.0603 63.8288 173.2330 26 M 5.3311 7.9939 117.2070 53.3845 36.5198 174.4641 27 V 4.9288 8.8634 121.2915 61.2119 34.8243 174.1080 28 F 5.0893 9.1916 126.3484 55.9430 41.3207 174.8390 29 T 5.0149 8.3696 113.7003 60.0518 70.7182 174.6702 30 S 4.3438 8.8414 120.2096 58.3523 64.0880 174.2259 31 G 3.9525 8.2796 108.6483 45.8983 0.0000 173.2779 32 Q 4.6267 9.0567 126.7663 55.0093 29.9625 175.4845 33 I 4.8390 8.2593 117.9395 57.7758 40.0870 174.6606 34 P 4.6699 0.0000 0.0000 62.3547 30.5206 174.7447 35 V 4.5559 6.9292 128.3915 62.8655 30.7327 175.1802 *37 P 4.5048 0.0000 0.0000 62.6338 32.9914 178.1603 38 Q 4.1326 8.3057 116.9311 58.4064 28.7908 176.9481 39 T 4.2791 7.9901 105.1248 60.9061 70.2831 175.5933 40 G 3.9271 8.4693 111.5283 45.7428 0.0000 174.0621 41 E 4.1401 7.9001 115.7130 55.6322 30.3257 181.7804 42 I 4.7351 8.2477 122.0302 57.6744 38.3419 174.2763 43 P 4.3910 0.0000 0.0000 62.6732 31.9433 176.5316 44 A 4.1425 8.5428 123.1260 55.3221 19.0025 178.9372 45 D 4.6149 7.8492 115.8839 53.8761 42.9427 178.0435 46 V 3.7219 8.5176 125.5568 65.4916 31.3188 179.4755 47 Q 3.9814 7.9936 120.8830 60.2636 28.0582 181.3189 48 D 4.5707 8.0497 120.8269 57.2303 40.8448 178.8668 49 Q 3.9556 8.3010 118.2916 58.7903 28.8365 178.6185 50 A 3.9451 8.3884 122.1170 55.2503 18.4907 179.3395 51 R 3.7656 8.2420 117.5480 59.8154 30.0731 178.4194 52 L 3.9634 8.1321 119.9104 58.1118 42.0067 179.0368 53 S 4.0956 8.2693 115.4045 61.6196 62.6899 176.7010 54 L 3.5152 7.5442 121.1189 57.5300 41.0414 179.4455 55 E 4.0336 7.9977 118.6451 59.3522 29.2718 179.1212 56 N 4.3238 8.1053 116.6449 56.1258 38.5753 177.5657 57 V 3.5198 7.9099 119.6915 65.8769 31.6974 177.5769 58 K 3.8088 8.2461 119.3981 59.8496 31.9800 178.1886 59 A 4.0370 8.2093 120.6829 55.4102 18.1657 179.7407 60 I 3.7738 7.6583 118.0015 64.3933 37.1880 178.8806 61 V 3.6312 7.8992 119.3231 65.7810 31.2527 178.3387 62 V 4.1379 8.6273 119.7365 65.4771 31.1617 177.9398 63 A 3.9788 7.7575 118.8800 54.7993 18.2961 178.8404 64 A 4.2038 7.5891 117.7337 53.2696 18.5521 178.3372 65 G 3.9049 8.2897 106.0000 44.9917 0.0000 173.1429 66 L 4.8078 7.7948 120.7132 52.7081 44.5450 174.7582 67 S 5.0372 8.9893 113.2823 56.8020 66.5015 174.9889 68 V 3.5184 8.3033 119.2024 66.0292 31.0812 177.5259 69 G 3.8741 7.9588 105.5471 46.9471 0.0000 173.4314 70 D 4.5916 8.0137 119.8365 54.9019 41.4905 176.3935 71 I 4.4209 7.6515 121.7283 61.1152 37.7345 175.5616 72 I 4.4696 9.0260 118.1261 60.8211 40.4092 175.3188 73 K 5.1561 7.7429 123.3349 54.2450 35.8244 174.6993 74 M 5.4364 9.1835 125.8214 53.9072 36.5570 174.2868 75 T 4.7736 8.8538 119.1571 61.7467 71.5976 173.4663 76 V 4.1775 8.6842 127.3606 61.2233 33.4783 174.0575 77 F 5.2600 8.9947 128.6419 56.4879 40.3366 175.4065 78 I 5.3092 8.7107 116.8158 59.5334 41.0772 175.9205 79 T 4.4295 8.7221 111.7447 62.2450 70.6488 174.1994 80 D 4.7121 7.7756 122.3206 52.2471 43.1089 175.4055 81 L 3.9714 8.9592 128.6014 57.8006 41.3060 179.2192 82 N 4.4206 8.0879 115.0612 55.7304 38.6554 176.0542 83 D 4.6642 8.2118 119.2311 54.8698 41.0450 177.9498 84 F 4.3289 8.5113 123.2188 61.2778 39.5077 176.8216 85 A 3.7914 7.9877 119.9287 55.3107 18.2820 179.4885 86 T 3.7748 7.8296 113.7264 66.8650 68.6227 176.6609 87 I 3.6891 7.8706 121.6663 64.5241 37.1452 178.0958 88 N 4.0396 8.3324 119.9966 56.8893 38.2580 177.9427 89 E 3.9683 8.0020 119.3436 61.1091 29.7758 181.2975 90 V 3.8404 7.6126 119.2414 65.9728 31.6174 177.5860 91 Y 4.0908 8.2391 119.3016 60.4231 38.5955 177.4764 92 K 4.1269 8.7695 121.0609 59.8273 32.3795 178.5851 93 Q 4.0613 8.3188 118.2310 58.9841 27.4233 178.5235 94 F 4.0466 8.6164 121.8703 61.6948 39.3793 177.3614 95 F 4.0817 8.2378 116.5569 60.4862 38.7531 177.4879 96 D 4.4608 8.7208 118.8773 57.5610 40.4238 178.6996 97 E 3.9885 8.5967 118.2612 58.7739 29.3387 178.1841 98 H 4.5754 6.9869 114.0688 54.1829 30.0260 174.4689 99 Q 3.2151 7.4939 117.4058 56.8406 26.8104 174.0315 100 A 4.6565 8.1299 119.7323 50.2744 20.9503 177.9518 101 T 3.6111 8.3184 119.6477 63.7412 69.0794 173.8917 102 Y 3.8950 7.6698 123.8202 57.2301 38.5135 174.0083 103 P 4.7528 0.0000 0.0000 61.8844 32.8891 175.6686 104 T 4.1715 8.5198 110.0988 62.1706 69.8140 173.4522 105 R 5.5390 8.1745 121.7334 55.0603 33.6263 173.9979 106 S 4.8135 8.6112 120.2020 56.8027 66.5598 172.5145 107 C 5.4325 8.3642 122.8542 56.7163 34.1040 173.3551 108 V 4.4672 8.0835 118.0926 59.5972 36.1384 174.1038 109 Q 4.7404 8.6255 125.2367 55.5673 29.6788 175.6537 110 V 4.2764 8.5697 121.0231 59.8697 33.5722 176.1961 111 A 4.0943 8.6133 123.5401 55.1743 18.4894 177.8537 112 R 4.4097 7.0202 110.9396 55.9142 32.9732 173.1674 113 L 4.8518 7.6915 121.4907 51.6988 45.0542 174.3865 114 P 4.3489 0.0000 0.0000 64.4718 31.5995 177.3156 115 K 4.3299 9.0175 120.1828 56.5564 29.1739 175.4432 116 D 4.4236 7.7647 115.8260 55.3974 38.8160 174.6510 117 V 4.0581 7.0550 110.4619 61.0340 32.7112 176.7630 118 K 4.6383 9.3875 120.9163 57.4093 33.1260 176.7374 119 L 5.3771 7.7298 117.9508 54.3357 43.9027 175.2930 120 E 4.8689 9.7632 120.8227 54.9095 33.3199 173.7999 121 I 5.0099 9.0822 128.3775 59.5856 40.0012 174.2786 122 E 4.9897 8.9731 125.5703 54.6908 32.0891 174.9445 123 A 5.3506 8.7297 123.3129 50.2849 22.9141 174.9905 124 I 4.7548 8.8218 120.3187 59.3013 40.7967 174.6698 125 A 5.1806 8.8750 127.8875 50.2054 22.3188 175.2566 126 V 4.5821 8.0158 113.0922 59.6021 33.9100 176.1696 127 R 3.9712 8.7391 124.1865 59.6775 29.9212 176.8415 128 S 4.3163 7.8283 118.5533 58.7911 62.9262 174.2533 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 K 8.31 4.47 0.00 1.80 1.82 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.47 7.81 3 K 8.65 4.45 0.00 1.94 1.63 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.31 1.36 7.81 4 I 9.38 4.32 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 1.37 0.67 0.93 0.00 0.00 5 I 8.66 4.46 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.58 1.00 0.00 0.00 6 E 8.70 4.75 0.00 1.87 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 2.18 2.26 0.00 7 T 9.20 4.65 4.26 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 1.37 0.00 0.00 8 Q 8.54 4.37 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.23 1.94 0.00 9 R 7.84 4.30 0.00 1.84 2.01 0.00 3.08 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 10 A 7.45 4.86 1.22 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 11 P 0.00 4.41 0.00 2.24 2.10 0.00 3.81 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 2.03 2.20 0.00 12 G 8.53 3.63 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 0.00 0.00 0.00 13 A 8.47 3.86 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.73 4.23 1.92 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 1.38 0.90 0.95 0.00 0.00 15 G 6.62 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.53 0.00 2.22 2.10 0.00 3.89 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 2.06 1.98 0.00 17 Y 6.72 4.87 0.00 3.06 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 18 V 8.08 4.54 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 0.78 0.00 0.00 1.05 0.00 0.00 19 Q 8.69 4.36 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.71 0.00 0.00 0.00 0.00 0.00 2.56 2.44 0.00 20 G 7.82 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.93 5.01 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 0.98 0.00 0.00 22 D 9.41 5.20 0.00 2.73 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 23 L 9.30 4.38 0.00 1.78 1.74 1.13 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.95 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 S 7.87 4.39 0.00 3.95 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 26 M 7.99 5.33 0.00 1.81 2.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.49 0.00 27 V 8.86 4.93 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 1.11 0.00 0.00 0.95 0.00 0.00 28 F 9.19 5.09 0.00 3.08 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 29 T 8.37 5.01 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 1.25 0.00 0.00 30 S 8.84 4.34 0.00 3.80 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 31 G 8.28 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 32 Q 9.06 4.63 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.66 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 33 I 8.26 4.84 1.89 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 1.42 0.63 0.91 0.00 0.00 34 P 0.00 4.67 0.00 2.25 2.50 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 2.08 2.09 0.00 35 V 6.93 4.56 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 0.87 0.00 0.00 0.96 0.00 0.00 *37 P 0.00 4.50 0.00 2.39 2.18 0.00 3.83 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 1.89 2.13 0.00 38 Q 8.31 4.13 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 39 T 7.99 4.28 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 1.22 0.00 0.00 40 G 8.47 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 0.00 0.00 0.00 41 E 7.90 4.14 0.00 2.02 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.15 0.00 42 I 8.25 4.74 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 1.26 1.87 0.92 0.00 0.00 43 P 0.00 4.39 0.00 2.18 2.06 0.00 3.94 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 44 A 8.54 4.14 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 45 D 7.85 4.61 0.00 2.93 2.60 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 46 V 8.52 3.72 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 0.96 0.00 0.00 0.96 0.00 0.00 47 Q 7.99 3.98 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.02 0.00 48 D 8.05 4.57 0.00 2.84 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 49 Q 8.30 3.96 0.00 2.26 2.16 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 2.42 2.62 0.00 50 A 8.39 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 51 R 8.24 3.77 0.00 1.97 2.10 0.00 3.17 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 52 L 8.13 3.96 0.00 1.90 1.80 0.92 0.93 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 53 S 8.27 4.10 0.00 3.85 3.97 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 54 L 7.54 3.52 0.00 1.15 0.13 0.63 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.00 4.03 0.00 1.99 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 2.58 2.53 0.00 56 N 8.11 4.32 0.00 2.96 3.08 0.00 0.00 6.62 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 57 V 7.91 3.52 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.96 0.00 0.00 58 K 8.25 3.81 0.00 2.21 2.14 0.00 1.67 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.43 7.81 59 A 8.21 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 60 I 7.66 3.77 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.68 1.02 0.00 0.00 61 V 7.90 3.63 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.03 0.00 0.00 62 V 8.63 4.14 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 1.40 0.00 0.00 0.95 0.00 0.00 63 A 7.76 3.98 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 64 A 7.59 4.20 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.29 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 0.00 0.00 0.00 66 L 7.79 4.81 0.00 1.95 1.71 0.98 0.63 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 67 S 8.99 5.04 0.00 3.84 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 68 V 8.30 3.52 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 0.45 0.00 0.00 0.50 0.00 0.00 69 G 7.96 3.87 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 0.00 0.00 0.00 70 D 8.01 4.59 0.00 2.93 2.86 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 71 I 7.65 4.42 2.23 0.00 0.00 1.00 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 0.53 1.10 0.00 0.00 72 I 9.03 4.47 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.99 0.95 0.00 0.00 73 K 7.74 5.16 0.00 1.74 1.60 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.25 7.81 74 M 9.18 5.44 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.60 0.00 75 T 8.85 4.77 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 0.44 0.00 0.00 76 V 8.68 4.18 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 1.04 0.00 0.00 1.01 0.00 0.00 77 F 8.99 5.26 0.00 3.00 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 78 I 8.71 5.31 1.94 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 1.45 1.35 0.99 0.00 0.00 79 T 8.72 4.43 4.26 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 1.27 0.00 0.00 80 D 7.78 4.71 0.00 2.66 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 81 L 8.96 3.97 0.00 1.68 1.60 0.78 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.09 4.42 0.00 2.85 2.91 0.00 0.00 7.04 8.02 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 83 D 8.21 4.66 0.00 2.89 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 84 F 8.51 4.33 0.00 3.13 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 7.99 3.79 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.83 3.77 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 87 I 7.87 3.69 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.00 0.91 0.00 0.00 88 N 8.33 4.04 0.00 2.32 2.57 0.00 0.00 7.19 8.17 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 89 E 8.00 3.97 0.00 2.01 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 2.24 2.19 0.00 90 V 7.61 3.84 2.26 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 1.05 0.00 0.00 0.97 0.00 0.00 91 Y 8.24 4.09 0.00 3.17 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 92 K 8.77 4.13 0.00 1.88 1.88 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.67 1.58 7.81 93 Q 8.32 4.06 0.00 2.48 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.51 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 94 F 8.62 4.05 0.00 3.12 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 95 F 8.24 4.08 0.00 3.49 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 96 D 8.72 4.46 0.00 3.05 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 97 E 8.60 3.99 0.00 1.98 1.62 0.00 0.00 0.00 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 2.30 0.00 98 H 6.99 4.58 0.00 2.94 3.10 0.00 5.99 0.00 0.00 0.00 0.00 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 7.49 3.22 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.61 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 100 A 8.13 4.66 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 0.00 101 T 8.32 3.61 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 1.14 0.00 0.00 102 Y 7.67 3.90 0.00 2.91 2.65 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 0.00 103 P 0.00 4.75 0.00 2.06 2.17 0.00 3.30 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.79 0.00 104 T 8.52 4.17 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 1.21 0.00 0.00 105 R 8.17 5.54 0.00 1.79 1.70 0.00 2.73 0.00 0.00 3.47 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.64 0.00 106 S 8.61 4.81 0.00 3.65 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 C 8.36 5.43 0.00 2.92 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.08 4.47 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 0.62 0.00 0.00 1.04 0.00 0.00 109 Q 8.63 4.74 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 110 V 8.57 4.28 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 0.82 0.00 0.00 1.07 0.00 0.00 111 A 8.61 4.09 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 0.00 112 R 7.02 4.41 0.00 1.71 1.73 0.00 3.18 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.53 0.00 113 L 7.69 4.85 0.00 1.87 1.49 1.06 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.35 0.00 2.16 1.99 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 115 K 9.02 4.33 0.00 1.94 1.97 0.00 1.93 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.42 7.81 116 D 7.76 4.42 0.00 2.85 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 0.00 117 V 7.05 4.06 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 0.68 0.00 0.00 1.04 0.00 0.00 118 K 9.39 4.64 0.00 1.85 1.87 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.24 7.81 119 L 7.73 5.38 0.00 1.78 1.63 0.97 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 120 E 9.76 4.87 0.00 2.01 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 2.34 2.32 0.00 121 I 9.08 5.01 1.89 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 1.36 0.68 0.98 0.00 0.00 122 E 8.97 4.99 0.00 2.17 2.18 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 2.42 2.32 0.00 123 A 8.73 5.35 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 0.00 124 I 8.82 4.75 1.69 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 0.57 0.57 0.34 0.00 0.00 125 A 8.88 5.18 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 0.00 126 V 8.02 4.58 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 0.68 0.00 0.00 0.97 0.00 0.00 127 R 8.74 3.97 0.00 1.93 1.93 0.00 3.31 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 128 S 7.83 4.32 0.00 3.90 3.76 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 * Residues marked with a * may have inaccurate shift predictions.