NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.2067 8.3144 120.1274 56.1109 34.2980 176.0749 7 K 3.8844 7.8953 120.3054 54.7147 32.5179 173.9859 8 P 4.0772 0.0000 0.0000 62.6750 32.7596 174.5040 9 D 4.7846 8.0473 121.0834 52.7002 43.1352 176.3755 10 F 5.0413 8.4166 122.0021 57.1911 40.5408 177.3283 11 T 3.8787 7.9474 116.6941 67.1162 68.3344 175.5801 12 L 3.9017 7.8885 120.9933 58.1213 42.1686 178.6109 13 F 4.1964 8.3294 120.0557 61.5686 39.3616 177.0236 14 L 3.6633 8.6411 118.6341 57.3192 40.9467 179.6072 15 Q 3.9240 8.1950 118.7691 59.3675 28.7000 178.9019 16 T 3.7250 7.7388 116.6623 66.1580 68.3871 176.7987 17 L 3.7323 7.6553 122.9082 57.8770 42.1459 179.0248 18 S 3.2738 7.5298 114.2942 61.0157 62.5085 176.6911 19 W 3.9363 7.8267 122.1134 59.2581 28.7477 178.2294 20 E 3.9709 8.2095 119.2755 59.2424 29.0410 178.7036 21 I 3.7354 7.8725 119.8323 64.6203 37.2805 177.7944 22 D 4.4450 8.0241 119.2138 57.7070 40.5137 178.5428 23 D 4.3305 7.8136 116.6309 57.7231 41.2665 178.1258 24 Q 4.2263 8.1077 117.2241 58.0211 28.9261 177.2635 25 V 4.2639 8.1187 109.9967 59.6391 34.0396 176.8829 26 G 4.1298 8.2630 104.7754 45.5450 0.0000 174.4797 27 I 3.6549 8.2980 119.6708 64.3618 36.8193 178.4387 28 E 3.8504 8.0023 119.3126 59.2309 29.6080 178.7806 29 V 3.5194 7.6836 117.7135 65.9656 31.7148 177.3382 30 R 3.8560 7.8377 118.4824 59.9128 29.8347 177.9512 31 N 4.1851 8.2630 115.9547 56.3579 38.4874 177.3397 32 E 3.9187 7.9628 119.8068 59.1431 29.5023 178.8660 33 L 3.9180 8.1518 120.7888 58.3962 42.1095 179.2014 34 L 3.8711 7.8200 118.6601 57.5772 41.4167 179.5190 35 R 3.9765 7.8854 118.0591 59.5090 30.0511 178.8919 36 E 3.8836 8.2012 118.1361 59.3597 29.1691 179.7001 37 V 3.6119 7.7994 117.8440 65.7763 31.8001 177.7842 38 G 3.6353 8.3454 105.9218 48.0003 0.0000 175.8093 39 R 3.9289 7.9030 119.6111 58.5369 30.4581 180.5739 40 G 3.7612 7.8921 104.4449 44.8098 0.0000 175.1904 *42 G 3.8887 8.0970 109.7155 44.4227 0.0000 174.3259 43 T 4.3619 7.5392 108.3224 62.0039 69.7493 175.8998 44 R 4.3058 7.9496 120.6506 57.1328 31.3898 176.4577 45 I 4.5560 7.3048 109.7014 58.1098 40.5530 172.5102 *47 P 4.0254 0.0000 0.0000 61.6272 32.0403 174.2448 48 P 4.3932 0.0000 0.0000 61.1865 32.1703 174.1707 49 P 4.4110 0.0000 0.0000 63.2318 30.2668 175.5134 50 C 4.5773 8.9643 122.2512 58.7063 29.5906 174.5268 51 Q 4.2068 8.6048 121.7117 57.8936 29.1076 177.0345 52 T 4.7139 7.3667 106.7162 59.2002 72.9235 174.8927 53 V 3.5452 8.1523 121.4291 66.2253 31.4021 177.7682 54 D 4.3131 7.8135 117.2875 57.5005 41.0937 178.5814 55 K 3.9977 7.9984 118.8946 59.1127 31.8829 179.2311 56 L 3.8737 8.0727 120.9635 58.0994 42.0837 178.4164 57 Q 3.9662 8.3120 119.9198 59.6821 28.7102 179.0716 58 I 3.7411 7.5483 120.3688 64.4112 36.9349 178.2961 59 E 3.8911 8.0844 119.4669 59.2471 29.2073 179.5252 60 L 3.5118 8.0907 119.2997 57.7354 41.7807 179.1728 61 N 4.4952 8.2727 116.1392 56.2998 38.4441 177.3276 62 A 4.0433 7.7896 122.2781 54.8653 17.9605 179.7568 63 L 3.8870 7.4065 117.5866 57.8950 41.5977 179.6047 64 L 3.9942 8.4645 119.2031 57.7766 41.5376 179.5138 65 A 4.0274 8.1955 120.8548 54.9634 18.1119 179.0512 66 L 3.9369 7.4447 117.7540 57.8104 42.1050 178.4402 67 I 4.5205 7.2117 108.6180 59.3078 38.6946 175.3262 68 G 4.0782 8.0087 108.0561 47.3175 0.0000 174.3317 69 W 4.6852 8.5627 115.2124 55.9569 30.4290 176.2128 70 G 4.0694 8.1166 103.4698 44.2123 0.0000 173.1823 71 T 5.1368 8.5864 110.8236 60.3614 72.8390 173.7607 72 V 5.1507 9.2485 121.8507 60.3450 34.8096 174.5184 73 T 4.8574 8.7331 113.1991 59.9593 71.5379 172.7503 74 L 5.0558 9.5377 125.1033 52.9969 43.7502 175.3493 75 E 4.5328 9.0656 125.5038 54.2174 32.2966 174.5311 76 L 4.6316 8.5976 129.6874 53.9481 42.4021 175.2148 77 L 4.4207 8.7297 127.6675 54.1177 42.2992 178.8093 78 S 4.2321 8.9826 120.3754 60.3225 63.6648 174.0205 79 E 4.3177 8.0693 119.3490 55.9109 30.4955 176.3040 80 D 4.3065 8.8160 121.0163 53.8385 40.9206 172.9582 81 Q 3.6173 7.5885 117.1932 56.6662 27.4971 172.8544 82 S 4.9088 7.6250 114.7005 57.9018 65.8585 174.8346 83 L 5.0772 8.4107 123.5926 53.3715 44.4901 174.9615 84 R 4.1340 8.9647 127.8922 55.4936 31.8036 174.8624 85 I 4.5896 7.8697 126.4583 59.4571 40.3172 174.4358 86 V 4.3511 8.5078 128.1177 61.5052 33.4011 173.7756 87 H 5.2769 9.4645 129.8518 54.8620 31.4544 173.4201 88 E 4.7114 9.3977 126.2805 55.3680 31.5760 176.0626 89 N 4.4268 8.6738 118.7967 53.4855 35.6159 174.8299 90 L 3.9175 7.8971 118.8682 54.9394 42.7437 174.9042 91 P 4.1497 0.0000 0.0000 62.8971 31.8138 175.1593 92 Q 4.7139 8.3035 122.1976 54.7784 31.0594 176.1554 93 V 4.3629 7.9925 116.3083 59.6178 32.1227 175.5179 94 G 3.8070 7.8663 109.2015 44.8068 0.0000 172.0465 95 S 4.5249 8.6891 111.5150 58.4485 64.2289 174.0904 96 A 4.1344 7.7661 124.8449 52.9158 18.6983 176.5424 97 G 4.1705 9.2997 105.6001 44.6891 0.0000 173.1718 98 E 4.4683 8.1756 115.5531 53.5425 31.2523 173.7841 99 P 4.5278 0.0000 0.0000 61.5872 32.4415 175.7960 100 S 4.7854 7.8986 114.0955 59.9812 62.9521 175.1891 101 G 4.1363 9.1109 113.5550 45.1855 0.0000 174.2305 102 T 4.5806 7.7456 109.0196 60.9630 69.1205 176.0463 103 W 4.3063 8.6401 134.3289 61.4983 30.6699 176.7407 104 L 4.1809 8.1096 115.2793 55.3959 42.0423 178.1888 105 A 4.0093 8.4141 122.6053 55.0458 18.1321 177.9813 106 P 4.2663 0.0000 0.0000 64.9748 31.2713 178.8505 107 V 3.7569 7.7094 117.8696 65.9477 31.2965 177.9588 108 L 3.8239 7.9019 118.3513 57.6074 41.4733 179.0273 109 E 4.1033 8.2515 118.3036 59.6309 29.4428 179.6920 110 G 3.4598 7.7876 105.2040 47.4105 0.0000 175.6523 111 L 3.7142 7.6087 124.2615 57.4499 41.9261 178.7286 112 Y 4.3210 7.7065 116.9112 60.7789 37.7800 178.3898 113 G 3.8736 8.1232 106.8963 48.1458 0.0000 175.6468 114 R 3.8648 7.8985 121.3321 58.7167 29.9234 178.5786 115 W 4.4468 8.2017 117.9967 59.8084 29.0938 178.5211 116 V 3.8261 8.3860 118.5138 66.3382 30.6389 177.9406 117 T 3.5725 8.0543 112.9073 64.8707 66.8392 175.2289 118 S 4.3713 7.7892 113.7352 59.9581 63.3774 175.3506 119 Q 4.1376 9.0577 121.9482 56.2008 28.9416 176.4533 120 A 3.7901 7.7414 120.5370 52.0278 17.4123 178.4484 121 G 3.7777 7.7748 103.7518 44.7470 0.0000 172.9080 122 A 4.9668 7.3483 121.3454 50.5119 22.2652 175.8644 123 F 4.7236 8.5884 114.4757 57.6449 39.2475 175.7688 124 G 4.0505 7.8175 107.7992 44.4540 0.0000 173.9265 125 D 4.7187 7.9614 117.4675 53.6127 39.6085 177.2908 126 Y 4.2614 7.8206 118.9638 60.8530 38.0590 176.4318 127 V 4.3987 7.7633 117.6789 60.8813 34.0525 174.2935 128 V 4.5663 8.3804 126.2552 61.5442 34.1106 174.3457 129 T 4.5214 9.0251 125.7316 62.0810 69.5874 174.6718 130 R 4.2478 8.6086 127.9181 56.1067 30.8545 175.1880 131 D 4.6851 8.7594 127.0725 53.7962 41.7756 175.8392 132 V 4.0296 8.4034 125.6986 65.0741 32.7145 177.4614 133 D 4.6680 8.4260 118.3752 57.0384 40.7056 178.2585 134 A 4.1363 8.5540 120.6954 54.0313 18.5779 178.3386 135 E 4.4494 7.8464 113.8692 56.5096 29.6940 176.6325 136 D 4.7578 7.6291 115.9225 52.5879 41.5617 176.3722 137 L 4.2764 8.1584 121.3997 56.6056 42.7569 176.9187 138 N 4.3839 7.7026 114.1546 53.3541 39.2385 174.4179 139 A 3.7444 7.8785 120.3228 52.9602 15.8561 177.7412 140 V 3.8949 7.4107 119.8968 60.3718 33.1127 175.0235 141 P 4.2976 0.0000 0.0000 62.7290 31.9493 177.0050 142 R 3.8477 8.8198 123.1234 59.9097 30.0403 177.0966 143 Q 4.3958 8.0707 113.8639 56.2971 28.9474 174.6860 144 T 4.9556 7.9991 116.7101 62.6677 69.7497 174.2908 145 I 4.5950 9.0030 127.7030 59.7658 39.9022 175.3132 146 I 5.0134 8.5620 127.7953 59.4440 40.2081 174.5091 *148 Y 5.1455 7.8615 119.9081 58.2130 39.8619 173.9950 *150 R 4.5083 8.3037 117.4466 56.7506 31.1935 175.7539 151 V 4.7458 8.9882 116.0459 59.4421 35.7518 175.1432 152 R 4.3658 9.0442 122.7517 55.4267 31.5170 178.8532 153 S 4.6500 8.6183 116.2140 58.6692 60.6893 173.8577 154 S 4.8291 8.7794 119.9394 56.2001 66.0491 173.3680 155 A 4.7563 7.9031 124.0839 51.7020 21.6983 176.5222 156 T 3.6814 8.4945 116.1443 64.0974 68.2326 172.0853 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 6 K 8.31 4.21 0.00 1.74 1.92 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.36 7.81 7 K 7.90 3.88 0.00 1.79 1.71 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.54 7.81 8 P 0.00 4.08 0.00 1.56 1.53 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 9 D 8.05 4.78 0.00 2.50 2.40 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 10 F 8.42 5.04 0.00 3.21 3.14 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 11 T 7.95 3.88 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 1.25 0.00 0.00 12 L 7.89 3.90 0.00 1.67 1.69 0.91 0.74 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 13 F 8.33 4.20 0.00 3.28 3.47 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 14 L 8.64 3.66 0.00 2.02 1.60 1.04 1.27 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 15 Q 8.20 3.92 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 16 T 7.74 3.73 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 1.07 0.00 0.00 17 L 7.66 3.73 0.00 1.01 1.15 0.85 0.85 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 18 S 7.53 3.27 0.00 2.72 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 19 W 7.83 3.94 0.00 3.37 3.27 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 20 E 8.21 3.97 0.00 2.12 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 2.32 2.42 0.00 21 I 7.87 3.74 2.15 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.72 1.08 0.00 0.00 22 D 8.02 4.44 0.00 2.95 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 23 D 7.81 4.33 0.00 2.82 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 24 Q 8.11 4.23 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.50 0.00 0.00 0.00 0.00 0.00 2.42 2.73 0.00 25 V 8.12 4.26 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 0.71 0.00 0.00 1.04 0.00 0.00 26 G 8.26 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 0.00 0.00 0.00 27 I 8.30 3.65 1.86 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 1.66 0.60 0.99 0.00 0.00 28 E 8.00 3.85 0.00 1.99 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 0.00 2.36 2.29 0.00 29 V 7.68 3.52 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 1.06 0.00 0.00 0.93 0.00 0.00 30 R 7.84 3.86 0.00 1.99 2.14 0.00 2.79 0.00 0.00 3.67 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.66 0.00 31 N 8.26 4.19 0.00 2.89 2.79 0.00 0.00 7.12 8.25 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 32 E 7.96 3.92 0.00 2.07 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 2.45 0.00 33 L 8.15 3.92 0.00 1.71 1.81 0.93 0.60 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 34 L 7.82 3.87 0.00 1.65 1.48 0.71 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.89 3.98 0.00 1.82 1.93 0.00 3.25 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.90 0.00 36 E 8.20 3.88 0.00 2.23 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 2.31 2.45 0.00 37 V 7.80 3.61 2.15 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 0.77 0.00 0.00 0.99 0.00 0.00 38 G 8.35 3.64 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 0.00 0.00 0.00 39 R 7.90 3.93 0.00 1.83 1.89 0.00 3.35 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 40 G 7.89 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 0.00 0.00 0.00 *42 G 8.10 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 43 T 7.54 4.36 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 1.26 0.00 0.00 44 R 7.95 4.31 0.00 1.79 2.00 0.00 3.22 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 45 I 7.30 4.56 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.24 0.92 0.00 0.00 *47 P 0.00 4.03 0.00 2.06 1.78 0.00 3.61 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 48 P 0.00 4.39 0.00 2.16 2.08 0.00 3.65 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 1.92 1.89 0.00 49 P 0.00 4.41 0.00 2.18 2.14 0.00 3.72 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 1.96 1.97 0.00 50 C 8.96 4.58 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 51 Q 8.60 4.21 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 52 T 7.37 4.71 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 1.20 0.00 0.00 53 V 8.15 3.55 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 1.12 0.00 0.00 0.94 0.00 0.00 54 D 7.81 4.31 0.00 2.75 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 55 K 8.00 4.00 0.00 2.01 1.82 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.43 7.81 56 L 8.07 3.87 0.00 1.84 1.84 0.88 0.86 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 57 Q 8.31 3.97 0.00 2.14 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 58 I 7.55 3.74 1.98 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 1.51 1.20 0.89 0.00 0.00 59 E 8.08 3.89 0.00 2.01 1.83 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 2.48 2.42 0.00 60 L 8.09 3.51 0.00 1.96 1.77 0.58 1.19 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 61 N 8.27 4.50 0.00 2.84 2.89 0.00 0.00 6.96 6.81 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 62 A 7.79 4.04 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 63 L 7.41 3.89 0.00 1.46 1.47 0.77 -0.15 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 64 L 8.46 3.99 0.00 1.94 2.02 1.26 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.20 4.03 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 66 L 7.44 3.94 0.00 1.86 1.95 0.93 1.16 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 67 I 7.21 4.52 1.94 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.96 0.90 0.00 0.00 68 G 8.01 4.08 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 0.00 0.00 0.00 69 W 8.56 4.69 0.00 3.27 3.37 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 70 G 8.12 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.59 5.14 4.34 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 1.24 0.00 0.00 72 V 9.25 5.15 2.36 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 0.99 0.00 0.00 0.87 0.00 0.00 73 T 8.73 4.86 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 74 L 9.54 5.06 0.00 1.48 1.61 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 75 E 9.07 4.53 0.00 1.98 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 2.20 2.21 0.00 76 L 8.60 4.63 0.00 1.69 1.62 0.94 1.11 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 77 L 8.73 4.42 0.00 1.94 1.63 0.97 0.72 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 78 S 8.98 4.23 0.00 3.87 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 79 E 8.07 4.32 0.00 2.18 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 2.31 2.35 0.00 80 D 8.82 4.31 0.00 2.81 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 81 Q 7.59 3.62 0.00 2.29 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.74 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 82 S 7.63 4.91 0.00 4.17 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 83 L 8.41 5.08 0.00 1.77 1.53 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 84 R 8.96 4.13 0.00 1.92 1.69 0.00 3.16 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.78 0.00 85 I 7.87 4.59 1.51 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.81 0.12 0.00 0.00 86 V 8.51 4.35 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 0.91 0.00 0.00 0.85 0.00 0.00 87 H 9.46 5.28 0.00 3.37 3.34 0.00 5.82 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 E 9.40 4.71 0.00 1.91 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 2.27 2.27 0.00 89 N 8.67 4.43 0.00 2.91 2.95 0.00 0.00 6.90 7.85 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 90 L 7.90 3.92 0.00 1.71 1.73 0.86 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.15 0.00 1.51 1.63 0.00 3.10 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.44 0.00 92 Q 8.30 4.71 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.40 0.00 0.00 0.00 0.00 0.00 2.27 2.62 0.00 93 V 7.99 4.36 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 0.78 0.00 0.00 0.98 0.00 0.00 94 G 7.87 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 95 S 8.69 4.52 0.00 4.12 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 0.00 96 A 7.77 4.13 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 97 G 9.30 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 98 E 8.18 4.47 0.00 2.02 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 0.00 2.16 2.20 0.00 99 P 0.00 4.53 0.00 2.26 2.24 0.00 3.74 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 2.09 2.00 0.00 100 S 7.90 4.79 0.00 3.91 4.04 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 0.00 101 G 9.11 4.14 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 0.00 102 T 7.75 4.58 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 0.00 103 W 8.64 4.31 0.00 3.35 3.38 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 0.00 104 L 8.11 4.18 0.00 1.83 1.66 1.29 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.41 4.01 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 0.00 106 P 0.00 4.27 0.00 2.02 2.01 0.00 3.46 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 1.83 2.06 0.00 107 V 7.71 3.76 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 1.00 0.00 0.00 0.94 0.00 0.00 108 L 7.90 3.82 0.00 2.14 1.91 1.07 0.66 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 0.00 109 E 8.25 4.10 0.00 2.15 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 2.42 2.40 0.00 110 G 7.79 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 7.61 3.71 0.00 1.25 0.86 -0.18 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 112 Y 7.71 4.32 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 0.00 113 G 8.12 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 0.00 114 R 7.90 3.86 0.00 1.92 1.87 0.00 3.22 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 115 W 8.20 4.45 0.00 3.43 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 0.00 116 V 8.39 3.83 2.28 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 1.05 0.00 0.00 1.13 0.00 0.00 117 T 8.05 3.57 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 1.24 0.00 0.00 118 S 7.79 4.37 0.00 4.08 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 0.00 119 Q 9.06 4.14 0.00 2.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.66 0.00 0.00 0.00 0.00 0.00 2.67 2.52 0.00 120 A 7.74 3.79 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 0.00 121 G 7.77 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 0.00 0.00 0.00 122 A 7.35 4.97 1.23 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 0.00 0.00 123 F 8.59 4.72 0.00 3.09 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 0.00 124 G 7.82 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 0.00 0.00 0.00 0.00 125 D 7.96 4.72 0.00 2.67 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 0.00 126 Y 7.82 4.26 0.00 3.04 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 0.00 127 V 7.76 4.40 2.15 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 0.84 0.00 0.00 0.99 0.00 0.00 128 V 8.38 4.57 2.21 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 0.92 0.00 0.00 1.04 0.00 0.00 129 T 9.03 4.52 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 1.26 0.00 0.00 130 R 8.61 4.25 0.00 1.99 1.86 0.00 3.23 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.64 0.00 131 D 8.76 4.69 0.00 3.11 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 0.00 132 V 8.40 4.03 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 0.97 0.00 0.00 0.95 0.00 0.00 133 D 8.43 4.67 0.00 2.84 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 0.00 134 A 8.55 4.14 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.85 4.45 0.00 2.30 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 0.00 2.33 2.26 0.00 136 D 7.63 4.76 0.00 2.80 2.83 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 0.00 137 L 8.16 4.28 0.00 1.76 1.80 0.93 1.28 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 0.00 138 N 7.70 4.38 0.00 2.88 2.87 0.00 0.00 7.01 7.23 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 0.00 139 A 7.88 3.74 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 0.00 140 V 7.41 3.89 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 0.80 0.00 0.00 0.94 0.00 0.00 141 P 0.00 4.30 0.00 2.21 2.03 0.00 3.65 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 2.12 2.09 0.00 142 R 8.82 3.85 0.00 1.76 2.02 0.00 3.67 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 1.65 1.78 0.00 143 Q 8.07 4.40 0.00 2.14 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.18 6.78 0.00 0.00 0.00 0.00 0.00 2.43 2.32 0.00 144 T 8.00 4.96 4.41 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 1.26 0.00 0.00 145 I 9.00 4.60 1.94 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 1.29 1.21 0.93 0.00 0.00 146 I 8.56 5.01 1.86 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 1.18 1.82 0.70 0.00 0.00 *148 Y 7.86 5.15 0.00 2.96 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 *150 R 8.30 4.51 0.00 1.83 2.01 0.00 3.07 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.71 0.00 151 V 8.99 4.75 2.24 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 0.75 0.00 0.00 1.11 0.00 0.00 152 R 9.04 4.37 0.00 1.55 1.82 0.00 2.90 0.00 0.00 3.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.68 0.00 153 S 8.62 4.65 0.00 3.87 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 0.00 154 S 8.78 4.83 0.00 3.78 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 0.00 155 A 7.90 4.76 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 0.00 156 T 8.49 3.68 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 * Residues marked with a * may have inaccurate shift predictions.