NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 N 4.8157 8.2827 117.8002 51.8666 39.3400 175.9224 12 V 3.4677 8.9065 117.5491 66.3681 30.9866 174.6708 13 K 3.8521 8.9902 124.1664 60.4324 31.8802 180.0589 14 D 4.7167 8.0347 119.2467 56.4092 40.8381 178.9542 15 V 3.2570 7.9090 119.5137 66.2779 31.6461 178.2578 16 T 3.8669 7.8955 115.3508 66.1280 67.9587 176.6053 17 K 3.9633 7.2070 119.2212 58.8256 32.5886 178.3072 18 L 3.8786 7.8249 120.7562 58.0608 41.8389 178.8272 19 V 3.5959 7.6208 117.9721 66.3342 31.1664 177.8687 20 A 4.0138 7.7022 118.1696 54.2906 18.2348 177.4644 21 N 4.6739 7.8372 113.2548 53.3008 39.5048 174.2743 22 L 4.7791 7.2186 116.9894 52.7614 43.9436 174.6956 23 P 4.4316 0.0000 0.0000 62.5823 31.8642 177.9672 24 K 4.0880 8.8218 121.9711 59.0523 32.1697 177.4615 25 D 4.8043 8.0073 115.9771 53.1507 39.5953 176.4011 26 Y 4.4483 7.5934 122.4754 57.3089 40.8625 173.2909 *28 I 3.7429 8.0354 117.7982 61.6210 38.8396 175.0467 29 T 4.8376 8.3540 123.3609 62.9214 69.6159 173.9898 30 L 5.2393 8.8897 127.4528 52.1624 45.9376 175.5079 31 K 4.5633 8.9360 125.5781 55.4844 32.1542 175.3795 32 Y 4.4833 8.5978 126.8102 56.1693 40.2720 175.4111 33 V 3.7805 7.5860 126.3069 60.8055 31.1046 173.7720 34 P 4.2170 0.0000 0.0000 63.9998 31.8931 175.0657 35 G 3.4562 8.4440 111.9725 45.8125 0.0000 173.2370 *37 D 4.3712 8.1754 122.9788 53.5007 41.4228 178.3809 38 V 3.8591 7.6189 111.6168 62.7709 32.1231 176.8986 39 L 4.4298 7.5794 118.7082 53.1141 42.5440 174.8784 40 P 4.5260 0.0000 0.0000 62.4167 32.4597 177.4147 41 S 2.7900 8.6836 117.5195 61.8892 62.4626 176.9168 42 H 4.0793 7.8608 115.1649 58.2007 28.1203 176.3235 43 C 4.3524 7.6112 118.4221 60.6610 28.0741 174.0858 44 W 5.0969 7.2360 114.1194 56.5017 30.3251 177.0101 45 I 3.1657 7.3327 119.5304 63.5202 37.0884 177.0668 46 S 4.3437 7.8371 114.7026 60.9023 63.4925 175.2497 47 E 3.9735 7.6270 121.7031 56.3428 29.0517 178.7212 *49 V 4.1284 7.8840 112.5013 61.0341 33.9413 178.3541 50 V 3.6347 7.6575 118.1530 66.2259 31.3957 178.2049 51 Q 4.0978 8.4171 117.9048 58.7710 28.4576 178.8109 52 L 4.1553 7.9393 119.7844 57.8473 41.7618 179.0148 53 S 4.1837 8.4637 113.4247 61.4461 62.1931 175.7173 54 D 4.3543 7.9533 120.6585 57.6676 41.1297 178.5483 55 S 4.1606 8.0499 115.0836 61.6680 62.7878 176.7686 56 L 4.0795 8.3260 121.7586 57.9788 41.1085 179.6920 57 T 3.9542 8.1125 115.4553 66.5664 68.4472 176.3634 58 D 4.5191 8.4331 121.1903 57.0627 40.7651 178.5218 59 L 4.0438 8.2751 121.4483 58.1184 42.0129 178.5698 60 L 4.0095 8.2699 120.5569 58.3569 41.6892 177.9990 61 D 4.6533 7.7969 115.5817 55.6393 41.3886 177.1485 62 K 4.1614 8.0315 117.1045 56.3925 32.5905 175.9086 63 F 4.9341 7.3492 117.4374 55.4287 42.2064 174.2328 64 S 4.6902 8.3710 115.2045 56.1433 66.0011 173.6775 65 N 4.4450 8.1844 118.5028 53.3549 38.7623 174.4197 66 I 4.6853 7.8210 113.0556 58.5648 40.7443 176.7004 67 S 4.1572 8.7187 115.8015 61.0211 63.0977 174.4317 68 E 4.6917 7.4758 111.8661 56.6572 32.3529 174.7503 69 G 3.7802 8.8588 105.4548 44.0147 0.0000 172.3725 70 L 3.9959 8.4394 122.4229 54.9817 42.7994 177.8419 71 S 4.5814 8.3803 119.2737 55.9075 65.3915 174.0878 72 N 4.0477 8.6001 126.9114 56.2204 38.1957 176.2843 73 Y 3.8314 7.9401 120.4642 61.1964 38.9023 178.5397 74 S 4.1450 8.0892 115.1623 61.5546 62.9135 176.9987 75 I 3.6379 7.5123 122.0351 64.4584 36.8367 178.6119 76 I 3.6591 7.6956 120.8233 64.1604 36.8944 177.8723 77 D 4.1944 7.9817 119.1569 57.3946 40.8549 178.6382 78 K 4.0548 7.9474 118.5712 59.3070 32.1054 179.4009 79 L 4.1411 7.7284 119.1108 57.5112 41.5238 179.6146 80 V 3.6623 8.2323 118.7965 66.2047 31.6581 177.9432 81 N 4.4239 8.2538 116.1466 56.2125 38.3269 177.5474 82 I 3.7419 7.6364 121.6741 64.4028 37.2146 178.5694 83 V 3.7769 7.9342 118.4216 65.4656 31.3438 177.9862 84 D 4.3392 8.2333 119.1249 57.3567 40.7135 177.9228 85 D 4.3135 7.8680 118.9173 57.7671 40.4071 179.2371 86 L 3.6067 7.7161 118.8449 57.5469 41.2384 179.8847 87 V 3.6867 7.7370 117.8054 65.9241 31.5456 177.6259 88 E 4.1501 7.9881 117.2438 58.8656 29.4064 178.3308 89 C 4.2864 8.0424 121.0227 63.5322 32.0844 176.1192 90 V 4.2227 7.5763 128.0981 61.9889 32.0571 178.2815 *104 S 4.4489 8.0821 114.2555 59.2979 63.1910 170.5185 105 P 5.0747 0.0000 0.0000 61.5964 33.3615 175.1125 106 E 4.5740 8.5668 118.9914 54.8692 31.7808 174.2378 107 P 4.4539 0.0000 0.0000 63.1935 32.0435 175.7991 108 R 4.5528 8.9264 123.3399 54.5411 34.1661 173.3103 109 L 5.0400 8.0084 123.6220 53.0810 43.3336 175.8506 110 F 5.2464 8.6799 122.3605 55.5381 42.2907 175.5053 111 T 4.4841 8.7094 111.7830 60.1389 69.8291 173.7608 112 P 4.4910 0.0000 0.0000 66.0537 31.3372 178.5741 113 E 4.1672 8.4552 115.6550 59.7215 29.3675 179.0064 114 E 3.9762 7.9462 119.0024 59.0804 29.5582 178.9168 115 F 3.5965 8.5300 120.9771 61.3408 39.4913 177.0585 116 F 4.3365 8.7407 116.9203 59.6581 38.7119 177.8184 117 R 4.0156 8.2347 119.1639 59.2515 29.7537 178.5589 118 I 3.5370 7.4691 119.2943 64.0785 37.0181 177.7121 119 F 3.9154 7.9325 121.9225 61.7168 39.2040 177.0764 120 N 4.1925 8.4399 115.6026 56.2676 38.4693 177.4312 121 R 3.9338 8.1848 120.2277 59.5462 29.9315 178.8537 122 S 4.4190 8.0860 114.2094 61.7225 63.3416 176.2954 123 I 3.8096 7.6565 122.6453 64.3522 36.7698 178.0490 124 D 4.3991 8.0355 118.2545 57.1905 40.9433 177.8841 125 A 4.1141 7.7037 118.8168 54.1010 18.3559 179.0924 126 F 3.9107 7.7064 117.3827 60.3793 39.0016 176.1097 127 K 4.2350 7.9508 123.8278 54.6557 31.6211 179.6212 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 11 N 8.28 4.82 0.00 2.67 2.62 0.00 0.00 6.37 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.91 3.47 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 1.05 0.00 0.00 13 K 8.99 3.85 0.00 1.80 1.84 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.46 1.14 7.81 14 D 8.03 4.72 0.00 2.77 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 7.91 3.26 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 1.05 0.00 0.00 1.01 0.00 0.00 16 T 7.90 3.87 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 1.20 0.00 0.00 17 K 7.21 3.96 0.00 1.67 1.91 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.40 7.81 18 L 7.82 3.88 0.00 1.61 1.39 0.61 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.62 3.60 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 1.07 0.00 0.00 1.04 0.00 0.00 20 A 7.70 4.01 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 21 N 7.84 4.67 0.00 2.85 2.86 0.00 0.00 7.11 7.24 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 22 L 7.22 4.78 0.00 1.76 1.75 1.14 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.43 0.00 2.29 2.02 0.00 3.67 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 2.02 2.10 0.00 24 K 8.82 4.09 0.00 1.79 1.93 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.48 7.81 25 D 8.01 4.80 0.00 2.81 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 26 Y 7.59 4.45 0.00 3.08 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 *28 I 8.04 3.74 1.60 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.09 0.16 0.00 0.00 29 T 8.35 4.84 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 1.29 0.00 0.00 30 L 8.89 5.24 0.00 2.17 1.96 1.05 0.06 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 31 K 8.94 4.56 0.00 1.97 2.03 0.00 2.00 0.00 0.00 2.53 0.00 0.00 2.75 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.34 7.81 32 Y 8.60 4.48 0.00 3.16 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 33 V 7.59 3.78 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.90 0.00 0.00 34 P 0.00 4.22 0.00 2.07 2.03 0.00 3.71 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.20 0.00 35 G 8.44 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 *37 D 8.18 4.37 0.00 2.76 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.62 3.86 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 0.72 0.00 0.00 0.92 0.00 0.00 39 L 7.58 4.43 0.00 1.92 1.69 0.96 1.13 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 40 P 0.00 4.53 0.00 2.18 2.18 0.00 3.76 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.01 0.00 41 S 8.68 2.79 0.00 3.50 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 42 H 7.86 4.08 0.00 3.18 3.31 0.00 5.52 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 43 C 7.61 4.35 0.00 3.08 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 W 7.24 5.10 0.00 3.27 3.05 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 45 I 7.33 3.17 0.73 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 -0.36 0.26 0.00 0.00 46 S 7.84 4.34 0.00 4.07 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 47 E 7.63 3.97 0.00 1.92 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 2.32 2.35 0.00 *49 V 7.88 4.13 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 0.99 0.00 0.00 1.22 0.00 0.00 50 V 7.66 3.63 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 1.08 0.00 0.00 1.05 0.00 0.00 51 Q 8.42 4.10 0.00 2.15 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.60 0.00 0.00 0.00 0.00 0.00 2.75 2.76 0.00 52 L 7.94 4.16 0.00 1.98 1.91 0.96 0.56 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 53 S 8.46 4.18 0.00 4.04 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 54 D 7.95 4.35 0.00 2.91 2.89 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 55 S 8.05 4.16 0.00 4.33 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 56 L 8.33 4.08 0.00 2.02 1.77 1.08 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.11 3.95 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 1.25 0.00 0.00 58 D 8.43 4.52 0.00 2.83 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 59 L 8.28 4.04 0.00 1.83 1.86 1.22 0.45 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 60 L 8.27 4.01 0.00 1.91 1.89 0.21 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.80 4.65 0.00 2.74 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 62 K 8.03 4.16 0.00 1.27 1.34 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.72 1.63 7.81 63 F 7.35 4.93 0.00 3.19 3.10 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 64 S 8.37 4.69 0.00 3.84 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 65 N 8.18 4.44 0.00 2.54 2.70 0.00 0.00 6.72 7.45 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 66 I 7.82 4.69 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.97 0.93 0.00 0.00 67 S 8.72 4.16 0.00 3.99 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 68 E 7.48 4.69 0.00 2.10 1.90 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 2.08 2.26 0.00 69 G 8.86 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 70 L 8.44 4.00 0.00 1.60 1.57 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.38 4.58 0.00 3.88 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.60 4.05 0.00 2.01 1.62 0.00 0.00 6.72 7.48 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 73 Y 7.94 3.83 0.00 3.30 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 74 S 8.09 4.15 0.00 3.91 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 75 I 7.51 3.64 1.80 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.15 0.75 0.00 0.00 76 I 7.70 3.66 1.66 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 1.33 0.52 0.91 0.00 0.00 77 D 7.98 4.19 0.00 2.34 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 78 K 7.95 4.05 0.00 1.86 1.85 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.68 7.81 79 L 7.73 4.14 0.00 1.81 1.64 0.61 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 80 V 8.23 3.66 2.23 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 1.06 0.00 0.00 0.95 0.00 0.00 81 N 8.25 4.42 0.00 2.81 2.87 0.00 0.00 7.08 7.11 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 82 I 7.64 3.74 2.11 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 1.44 1.12 0.93 0.00 0.00 83 V 7.93 3.78 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 1.22 0.00 0.00 1.31 0.00 0.00 84 D 8.23 4.34 0.00 3.03 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 85 D 7.87 4.31 0.00 2.83 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 86 L 7.72 3.61 0.00 1.55 1.01 0.77 0.29 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 87 V 7.74 3.69 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 0.86 0.00 0.00 1.01 0.00 0.00 88 E 7.99 4.15 0.00 2.13 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 2.34 2.31 0.00 89 C 8.04 4.29 0.00 2.95 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 90 V 7.58 4.22 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 0.81 0.00 0.00 0.93 0.00 0.00 *104 S 8.08 4.45 0.00 3.86 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 0.00 105 P 0.00 5.07 0.00 2.22 2.00 0.00 3.83 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 106 E 8.57 4.57 0.00 1.68 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 2.27 1.90 0.00 107 P 0.00 4.45 0.00 1.93 2.05 0.00 3.60 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 108 R 8.93 4.55 0.00 1.82 1.80 0.00 2.89 0.00 0.00 2.97 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 1.21 0.00 109 L 8.01 5.04 0.00 1.33 1.40 0.83 0.68 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 0.00 110 F 8.68 5.25 0.00 3.00 3.01 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 0.00 111 T 8.71 4.48 4.42 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 1.32 0.00 0.00 112 P 0.00 4.49 0.00 2.36 2.44 0.00 3.75 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.41 0.00 113 E 8.46 4.17 0.00 2.28 2.32 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 2.46 2.50 0.00 114 E 7.95 3.98 0.00 2.23 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 2.42 2.41 0.00 115 F 8.53 3.60 0.00 3.01 2.89 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 F 8.74 4.34 0.00 3.32 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.23 4.02 0.00 2.11 2.05 0.00 3.12 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 118 I 7.47 3.54 1.51 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.34 0.67 0.00 0.00 119 F 7.93 3.92 0.00 2.68 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 N 8.44 4.19 0.00 3.08 2.89 0.00 0.00 6.75 6.99 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 0.00 121 R 8.18 3.93 0.00 1.96 2.10 0.00 3.18 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.83 0.00 122 S 8.09 4.42 0.00 3.83 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 0.00 123 I 7.66 3.81 1.50 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.53 0.80 0.00 0.00 124 D 8.04 4.40 0.00 2.81 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 0.00 125 A 7.70 4.11 1.20 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 0.00 0.00 126 F 7.71 3.91 0.00 3.22 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 K 7.95 4.23 0.00 1.81 1.57 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.25 7.81 * Residues marked with a * may have inaccurate shift predictions.