NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 N 4.5866 8.4201 119.2012 53.5768 39.0675 173.6927 14 A 4.0680 7.9099 125.3645 50.6175 19.5880 176.4285 15 F 4.9260 9.3310 120.1530 57.3256 40.8594 174.0569 16 H 4.6206 9.8876 122.4221 55.9853 29.9123 174.0449 17 D 5.5652 8.8321 122.2225 52.7434 42.9574 175.6230 18 F 4.9349 9.1843 124.6554 56.7308 43.1398 173.0641 19 Q 5.6028 7.9463 123.5413 53.7919 30.9391 174.7463 20 A 4.6596 7.9204 122.3930 50.4433 22.9476 175.2324 21 R 4.5085 8.5518 120.5216 55.4084 31.9516 175.5406 22 V 4.3979 7.9049 124.1720 61.8855 33.3556 174.7010 23 Y 5.0455 8.8528 124.8555 55.8064 41.3376 176.8641 24 V 3.5578 8.7560 118.8049 66.2539 31.6397 177.6672 25 A 4.0563 8.1924 121.2161 55.2563 18.4170 177.9066 26 D 4.5331 8.4295 114.7465 55.7167 41.3501 176.4351 27 T 4.9243 7.6370 109.5363 60.0325 70.8816 172.9016 28 D 5.1146 8.6500 121.7225 50.9622 42.2675 176.5296 29 F 4.4098 9.0511 113.4524 59.2528 37.6675 175.9540 30 S 4.0459 8.8529 115.5981 58.5400 63.1059 174.9913 31 G 4.0172 9.0548 110.0024 45.2992 0.0000 173.0719 32 V 4.5766 7.3012 111.3031 59.4850 36.6968 174.1933 33 V 4.0750 8.1521 121.7242 63.4166 31.8324 175.8857 34 Y 4.6113 9.2782 130.0133 57.9808 39.5566 176.7659 35 H 4.2555 8.0948 120.4849 58.5472 28.9322 177.4993 36 A 4.0831 6.1386 122.2141 54.2632 18.7698 179.4812 37 R 3.8261 7.7678 115.0802 59.2474 29.8417 178.4402 38 Y 4.4203 7.4705 115.4287 61.2942 37.8558 178.8056 39 L 4.3542 8.0485 119.8849 57.6162 41.6762 179.4201 40 E 3.9728 8.0932 118.9504 59.3294 29.3893 179.2518 41 F 4.5118 7.7669 117.3186 60.7107 39.0232 177.4959 42 F 4.5412 8.4726 117.6953 60.6593 38.6531 177.2206 43 E 4.0015 8.5157 118.9051 59.4461 29.4207 178.9651 44 R 4.0525 8.3290 118.1659 59.2502 30.1500 179.1888 45 G 3.7610 8.2448 105.2380 47.9625 0.0000 175.9582 46 R 3.9212 8.0425 120.9963 59.1124 30.1796 179.3365 47 S 4.1934 8.4623 115.2665 61.8032 62.8037 176.6832 48 E 3.9732 8.2404 121.0939 58.6554 28.9009 179.0637 49 F 3.9885 7.9691 120.3557 61.3691 39.8702 176.7618 50 L 4.2560 8.3232 118.7427 58.0140 41.3073 179.6269 51 R 4.0085 8.2350 118.4747 59.1482 29.8288 177.9121 52 D 4.4721 7.8678 117.8693 56.0777 40.7308 177.1736 53 T 4.4617 8.1695 108.3574 61.3453 70.4195 175.9854 54 G 4.9642 7.2630 122.8778 47.1865 0.0000 173.9741 *55 F 4.3975 7.4905 120.5290 54.7716 36.7550 176.8236 56 N 4.8119 7.9085 126.3621 52.1829 39.8752 175.6650 57 N 4.4418 8.6356 116.9741 56.5892 38.6635 177.8719 58 T 3.8999 7.9349 117.0062 66.2392 68.3630 176.3615 59 L 3.8738 9.0035 122.4533 58.2571 42.4426 178.5869 60 L 3.9130 7.6918 118.4552 57.7681 41.3133 179.2842 61 A 3.4628 7.6469 119.2163 53.9680 18.4546 179.4015 62 S 4.1820 7.4361 112.5664 60.9596 63.4057 175.3173 63 G 4.0309 8.4724 108.3378 44.8293 0.0000 175.4633 64 V 3.6439 7.3601 119.0572 64.9318 31.0941 177.2187 65 E 4.1088 7.8994 116.7648 56.2173 29.7451 176.1941 66 G 4.1038 7.8910 111.2799 45.4938 0.0000 173.8468 67 E 4.8040 7.5220 114.9564 53.9267 33.5380 175.4931 68 K 4.2476 8.4434 119.2864 56.4228 33.4205 176.2867 69 L 5.0775 8.0093 123.1176 53.0848 45.8299 176.0014 70 F 4.8521 9.3402 120.5599 55.5271 43.3116 174.5542 71 F 5.1442 8.7874 121.0542 57.9682 39.9956 174.9719 72 V 4.5048 8.9705 121.0143 61.2450 35.2062 174.1933 73 V 3.9632 8.5010 128.1364 63.4278 31.4018 175.3075 74 R 4.3781 9.2024 127.6885 58.0851 31.3596 176.4405 75 H 4.9402 7.7230 116.6742 54.8564 33.7419 171.6832 76 M 5.0535 8.0653 122.4971 53.9955 35.6180 173.5664 77 E 4.6375 9.2450 125.2188 54.5843 32.5325 174.8901 78 I 4.6488 8.3403 124.8940 59.2238 40.4748 174.3710 79 N 4.6953 8.7032 125.2770 52.0169 41.0392 173.4738 80 F 4.7757 8.8642 125.9610 56.7589 38.3569 175.8498 81 S 4.4821 9.1213 120.0892 60.4842 63.3315 175.0244 82 R 4.7305 7.7205 115.5687 53.6533 33.9171 172.6579 83 P 5.0032 0.0000 0.0000 61.9410 33.2850 174.9222 84 A 4.6832 9.3304 124.1962 51.4474 20.7131 176.7368 85 Q 4.7770 9.3004 120.5268 53.6520 31.8363 175.2232 86 I 3.7405 8.2107 120.4600 62.9445 38.1639 175.8758 87 D 4.4242 8.7180 124.7122 54.2853 41.3735 173.6826 88 N 4.2776 7.7024 115.9791 54.4212 39.8824 173.5582 89 L 4.6416 8.3293 124.0775 53.7565 43.3081 175.3995 90 L 4.7553 8.9903 127.1294 53.6546 44.1118 175.6040 91 T 4.8561 8.7305 119.9316 61.9999 70.9525 173.4250 92 I 4.9054 9.0826 127.8825 59.5494 39.7959 174.6261 93 K 5.3308 9.3763 127.3396 55.0378 34.5388 175.6047 94 T 5.4478 9.1604 121.1153 62.0420 73.0838 173.1947 95 R 4.9954 8.6222 119.9496 54.7522 33.3334 174.3346 96 I 4.3837 8.1223 121.7303 61.5362 37.3966 175.9142 97 S 4.7416 9.6143 119.7775 58.2891 65.2916 174.2967 98 R 4.6129 7.9712 120.7456 55.2467 33.1479 173.6376 99 L 5.1655 8.6066 127.7588 54.2930 44.4204 176.4372 100 Q 4.5371 8.8365 119.6210 56.6369 31.3614 177.3319 101 G 4.1280 8.8046 109.6428 46.0412 0.0000 175.4507 102 A 4.3631 8.2172 118.1273 51.1929 20.8845 175.8266 103 R 5.0345 7.9076 114.1190 54.2749 34.6367 174.2976 104 F 5.3156 8.5939 116.0662 55.3615 42.3027 173.1940 105 F 5.1119 9.6395 118.2041 56.0047 42.0104 174.2398 106 M 5.1718 9.1681 123.2982 53.4809 35.1230 174.6105 107 E 4.8665 8.7330 121.2480 54.8279 32.1559 175.0844 108 Q 5.0229 8.6446 123.8974 54.2434 32.6252 174.4483 109 Y 5.3218 9.1588 119.0607 56.3729 42.7828 174.4627 110 I 5.0132 9.0525 123.1928 59.7072 40.2505 174.6230 111 L 5.1832 8.9608 127.0322 53.0709 45.6885 175.4038 112 H 4.8316 9.0276 122.0892 54.6533 31.5514 176.0155 113 G 3.7401 8.8355 118.6401 47.1011 0.0000 173.0260 114 E 4.3897 9.1675 121.0557 55.6047 30.0423 174.8102 115 S 4.5374 7.8260 115.8446 56.4501 63.1363 172.9193 116 M 4.3993 8.5704 128.3620 55.6533 32.8533 174.5113 117 L 4.5876 9.1474 125.8068 55.9702 43.9874 176.5949 118 V 4.8868 7.4376 117.3053 61.3447 35.2996 173.5542 119 T 5.1871 8.6159 115.2416 60.2489 72.6324 172.4423 120 A 4.8181 8.4012 123.5657 50.5485 23.2952 175.1157 121 K 4.8410 8.6847 120.3630 54.5095 35.0263 175.5683 122 V 4.6512 8.6826 124.6658 60.8800 35.0587 173.4872 123 E 4.3911 9.2789 128.6363 54.2705 31.7733 174.3114 124 I 4.5944 7.7652 127.6734 59.3167 40.0224 175.0164 125 A 5.1282 8.8703 128.7025 50.1500 22.7369 174.6452 126 L 5.2725 8.4159 120.3047 53.4371 44.8172 175.2320 127 I 5.2623 9.1475 119.5260 59.1780 41.7349 174.5004 128 N 5.5986 8.6361 121.0495 50.6204 39.3536 175.4098 129 E 3.8091 9.0758 119.0594 59.0895 29.5087 177.0521 130 E 4.3050 8.4129 115.4562 55.8072 29.9009 176.8376 131 G 3.8985 9.0259 110.4046 46.0078 0.0000 174.6967 132 K 4.2779 8.0854 122.6092 52.8628 32.4665 179.8232 133 P 5.0052 0.0000 0.0000 62.3809 31.9658 175.7049 134 R 4.8105 8.4326 120.2859 55.0685 34.3107 175.9996 135 R 4.3868 8.5585 121.6225 56.5886 30.3667 177.3000 136 L 4.3455 9.3340 123.7781 54.0837 42.1662 175.6941 137 P 4.4125 0.0000 0.0000 63.0444 32.5522 176.3774 138 K 4.1870 8.5417 117.9915 57.1857 31.9602 175.7116 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 13 N 8.42 4.59 0.00 2.66 2.77 0.00 0.00 6.99 7.08 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 14 A 7.91 4.07 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 15 F 9.33 4.93 0.00 3.10 3.07 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 16 H 9.89 4.62 0.00 3.51 3.41 0.00 5.60 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 17 D 8.83 5.57 0.00 2.61 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 18 F 9.18 4.93 0.00 3.21 2.98 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 0.00 19 Q 7.95 5.60 0.00 1.66 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.51 0.00 0.00 0.00 0.00 0.00 2.16 2.04 0.00 20 A 7.92 4.66 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 21 R 8.55 4.51 0.00 1.65 1.46 0.00 3.39 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.94 0.00 22 V 7.90 4.40 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 0.91 0.00 0.00 0.80 0.00 0.00 23 Y 8.85 5.05 0.00 3.01 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 24 V 8.76 3.56 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 1.00 0.00 0.00 0.98 0.00 0.00 25 A 8.19 4.06 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 26 D 8.43 4.53 0.00 2.98 2.82 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 27 T 7.64 4.92 4.29 0.00 0.00 0.00 0.00 0.00 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 28 D 8.65 5.11 0.00 3.01 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 29 F 9.05 4.41 0.00 3.19 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 30 S 8.85 4.05 0.00 3.86 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 31 G 9.05 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 32 V 7.30 4.58 2.34 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 0.84 0.00 0.00 1.01 0.00 0.00 33 V 8.15 4.07 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 -0.02 0.00 0.00 0.96 0.00 0.00 34 Y 9.28 4.61 0.00 3.01 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 35 H 8.09 4.26 0.00 2.51 3.09 0.00 5.51 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 6.14 4.08 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 37 R 7.77 3.83 0.00 1.65 1.64 0.00 3.27 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.04 0.00 38 Y 7.47 4.42 0.00 3.40 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 39 L 8.05 4.35 0.00 1.98 1.83 1.15 0.93 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 40 E 8.09 3.97 0.00 1.84 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 2.28 2.27 0.00 41 F 7.77 4.51 0.00 3.12 2.91 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 42 F 8.47 4.54 0.00 3.29 3.17 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 43 E 8.52 4.00 0.00 2.29 2.19 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 2.37 2.41 0.00 44 R 8.33 4.05 0.00 2.35 2.12 0.00 3.59 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.03 0.00 45 G 8.24 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 46 R 8.04 3.92 0.00 2.02 1.94 0.00 3.01 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 2.00 0.00 47 S 8.46 4.19 0.00 3.83 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 48 E 8.24 3.97 0.00 1.90 1.73 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 1.92 1.47 0.00 49 F 7.97 3.99 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 50 L 8.32 4.26 0.00 2.01 1.87 1.05 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.23 4.01 0.00 1.91 2.08 0.00 3.11 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 52 D 7.87 4.47 0.00 2.81 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 53 T 8.17 4.46 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 0.96 0.00 0.00 54 G 7.26 4.96 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 *55 F 7.49 4.40 0.00 2.31 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 0.00 0.00 0.00 0.00 56 N 7.91 4.81 0.00 3.02 3.03 0.00 0.00 6.13 6.96 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 57 N 8.64 4.44 0.00 2.83 2.99 0.00 0.00 6.83 7.05 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 58 T 7.93 3.90 4.35 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 1.21 0.00 0.00 59 L 9.00 3.87 0.00 1.70 1.74 0.90 0.99 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 60 L 7.69 3.91 0.00 1.51 1.49 0.67 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.65 3.46 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 62 S 7.44 4.18 0.00 4.04 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 63 G 8.47 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 64 V 7.36 3.64 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 0.71 0.00 0.00 0.90 0.00 0.00 65 E 7.90 4.11 0.00 1.91 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 0.00 2.23 2.16 0.00 66 G 7.89 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 67 E 7.52 4.80 0.00 1.89 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 2.14 2.28 0.00 68 K 8.44 4.25 0.00 1.71 1.54 0.00 1.82 0.00 0.00 1.93 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.45 7.81 69 L 8.01 5.08 0.00 1.27 1.26 0.82 0.83 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 70 F 9.34 4.85 0.00 2.81 2.85 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 71 F 8.79 5.14 0.00 3.08 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 72 V 8.97 4.50 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 0.95 0.00 0.00 0.99 0.00 0.00 73 V 8.50 3.96 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 0.73 0.00 0.00 0.87 0.00 0.00 74 R 9.20 4.38 0.00 1.67 1.88 0.00 3.31 0.00 0.00 3.11 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 75 H 7.72 4.94 0.00 3.18 3.01 0.00 5.83 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 M 8.07 5.05 0.00 1.89 1.72 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 77 E 9.24 4.64 0.00 1.82 1.73 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 2.18 2.29 0.00 78 I 8.34 4.65 1.56 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 1.19 0.29 0.15 0.00 0.00 79 N 8.70 4.70 0.00 2.73 2.56 0.00 0.00 6.89 8.57 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 80 F 8.86 4.78 0.00 2.90 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 81 S 9.12 4.48 0.00 3.82 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 82 R 7.72 4.73 0.00 1.85 1.79 0.00 3.31 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 83 P 0.00 5.00 0.00 2.15 2.12 0.00 3.79 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 1.98 2.00 0.00 84 A 9.33 4.68 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 85 Q 9.30 4.78 0.00 1.87 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.86 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 86 I 8.21 3.74 1.87 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 1.30 0.59 0.90 0.00 0.00 87 D 8.72 4.42 0.00 2.78 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 88 N 7.70 4.28 0.00 2.67 2.49 0.00 0.00 6.45 6.02 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 89 L 8.33 4.64 0.00 1.56 1.54 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.99 4.76 0.00 1.36 1.33 0.17 0.64 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 91 T 8.73 4.86 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 1.22 0.00 0.00 92 I 9.08 4.91 2.16 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.85 1.16 0.00 0.00 93 K 9.38 5.33 0.00 1.52 1.37 0.00 1.52 0.00 0.00 1.40 0.00 0.00 2.66 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.57 1.40 7.81 94 T 9.16 5.45 4.48 0.00 0.00 0.00 0.00 0.00 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 95 R 8.62 5.00 0.00 1.83 2.02 0.00 2.45 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.51 0.00 96 I 8.12 4.38 1.87 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 -0.05 0.99 0.00 0.00 97 S 9.61 4.74 0.00 3.79 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 98 R 7.97 4.61 0.00 1.78 1.80 0.00 2.85 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 99 L 8.61 5.17 0.00 1.67 1.58 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 8.84 4.54 0.00 2.47 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.44 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 101 G 8.80 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 0.00 102 A 8.22 4.36 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 0.00 103 R 7.91 5.03 0.00 1.70 1.46 0.00 3.17 0.00 0.00 3.39 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 104 F 8.59 5.32 0.00 3.15 3.09 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 0.00 105 F 9.64 5.11 0.00 2.94 2.93 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 0.00 106 M 9.17 5.17 0.00 1.76 1.76 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.30 0.00 107 E 8.73 4.87 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 2.21 2.27 0.00 108 Q 8.64 5.02 0.00 1.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.75 0.00 0.00 0.00 0.00 0.00 2.23 2.07 0.00 109 Y 9.16 5.32 0.00 2.66 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 0.00 110 I 9.05 5.01 1.72 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.52 0.85 0.00 0.00 111 L 8.96 5.18 0.00 1.56 1.57 0.88 0.98 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 0.00 112 H 9.03 4.83 0.00 3.15 3.16 0.00 5.73 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 0.00 113 G 8.84 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 0.00 114 E 9.17 4.39 0.00 1.91 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 2.19 2.22 0.00 115 S 7.83 4.54 0.00 3.84 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 0.00 116 M 8.57 4.40 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.64 0.00 117 L 9.15 4.59 0.00 1.59 1.85 0.95 0.51 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 0.00 118 V 7.44 4.89 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 0.87 0.00 0.00 -0.01 0.00 0.00 119 T 8.62 5.19 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 1.43 0.00 0.00 120 A 8.40 4.82 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.68 4.84 0.00 1.67 1.69 0.00 1.37 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.33 7.81 122 V 8.68 4.65 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 0.74 0.00 0.00 0.65 0.00 0.00 123 E 9.28 4.39 0.00 1.81 1.64 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 1.54 1.47 0.00 124 I 7.77 4.59 0.56 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.01 0.55 0.00 0.00 125 A 8.87 5.13 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 0.00 126 L 8.42 5.27 0.00 1.92 1.73 0.49 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 127 I 9.15 5.26 1.99 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 1.37 0.84 0.94 0.00 0.00 128 N 8.64 5.60 0.00 2.91 3.02 0.00 0.00 6.50 7.05 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 0.00 129 E 9.08 3.81 0.00 2.05 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 0.00 2.39 2.58 0.00 130 E 8.41 4.30 0.00 2.14 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 2.27 2.37 0.00 131 G 9.03 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 0.00 132 K 8.09 4.28 0.00 1.72 1.70 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.37 1.24 7.81 133 P 0.00 5.01 0.00 2.19 2.10 0.00 3.69 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 2.00 2.00 0.00 134 R 8.43 4.81 0.00 1.67 1.80 0.00 3.33 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 135 R 8.56 4.39 0.00 1.60 1.71 0.00 3.27 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.23 0.00 136 L 9.33 4.35 0.00 1.46 1.70 1.17 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 137 P 0.00 4.41 0.00 2.17 2.03 0.00 3.94 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 1.99 1.95 0.00 138 K 8.54 4.19 0.00 1.93 1.84 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.41 7.81 * Residues marked with a * may have inaccurate shift predictions.