NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 E 4.2901 8.4401 121.4549 56.0631 31.0943 174.6850 7 A 4.6403 8.3852 127.7055 48.4136 22.5254 173.5416 *9 T 4.4950 9.0547 106.0328 62.1508 71.0455 171.5834 10 V 5.0180 8.3572 113.9011 59.6030 35.5599 175.5766 11 G 4.2408 9.1157 109.3340 44.7111 0.0000 171.9363 12 V 5.0687 8.5183 117.1067 59.5450 34.7469 174.5924 13 D 4.8448 9.0048 122.3317 52.4631 45.0208 173.6556 14 L 5.0997 8.6162 125.9565 53.2346 45.0232 175.3715 15 V 4.5336 8.9424 125.9310 61.2524 34.6769 174.0078 16 H 4.3484 8.9692 127.7415 55.3325 29.9338 175.5083 17 I 3.6625 8.5247 129.8151 63.9909 36.9353 176.5625 18 P 4.3134 0.0000 0.0000 65.5962 31.1605 178.8926 19 G 3.6346 7.8066 103.9142 47.5894 0.0000 175.1716 20 F 4.1201 8.5033 123.2850 61.2471 39.3803 177.1599 21 A 3.8866 8.5765 120.5715 54.9891 17.8881 179.2450 22 E 3.8412 8.0145 117.1296 59.4445 30.1542 178.7997 23 Q 4.0786 7.9539 118.0139 58.9690 28.6147 178.5643 24 L 3.9753 7.7818 120.6100 57.8200 42.1116 178.6028 25 S 4.2173 7.8572 112.6258 59.1058 63.3548 174.2415 26 R 4.5177 7.2472 122.5425 53.7422 31.5041 174.2417 27 P 4.2098 0.0000 0.0000 63.8108 31.9573 176.2714 28 G 3.8689 8.7833 107.2186 46.2536 0.0000 173.7148 29 S 4.0459 7.4589 114.2743 58.1359 63.0024 175.2933 30 T 3.7618 8.3885 123.5146 66.9994 67.6335 176.1078 31 F 4.3992 7.5709 118.3078 59.2143 38.5907 176.8940 32 E 4.1748 8.1287 119.3399 58.0655 29.4087 176.9487 33 Q 4.6192 7.5456 114.6277 55.8076 28.9020 176.2803 34 V 4.0311 7.4277 119.3747 64.0728 32.1454 176.0256 35 F 5.2468 7.7491 117.5652 55.5032 40.9271 176.1795 36 S 4.5417 9.3194 120.4047 57.3116 64.9727 173.8412 37 P 4.2717 0.0000 0.0000 65.7088 30.9930 178.5445 38 L 3.9561 7.9904 118.4728 58.3243 41.9081 178.6132 39 E 4.0400 8.2641 118.3246 59.6865 29.3261 179.6916 40 R 3.8837 8.2388 117.9750 59.0774 30.2045 179.1189 41 R 3.8393 8.2604 118.6954 59.6349 29.9386 177.8028 42 H 4.0467 8.9732 118.4030 59.5077 29.6486 177.0007 43 A 3.8302 8.0699 120.9323 54.7482 18.1007 179.4044 44 Q 4.1021 7.4861 116.3348 58.7087 29.0681 177.9046 45 T 4.4876 7.3181 108.0590 60.2669 69.8280 175.2246 46 R 3.4707 7.6438 117.9977 58.1931 28.1076 177.7034 *59 A 4.1583 8.6923 120.9790 51.2426 21.1865 178.3560 60 G 3.9512 8.0363 104.7908 45.0534 0.0000 174.6939 61 S 4.1607 8.6018 115.6533 61.5795 63.0363 176.5635 62 R 3.8833 7.8199 118.4324 59.3953 29.3881 178.6450 63 T 3.8712 7.8412 116.0232 66.5525 68.6493 175.9456 64 E 3.7949 8.4584 120.6194 59.7179 29.6056 179.0022 65 H 4.0477 8.1004 117.9754 59.3868 29.8566 177.3443 66 L 3.7511 8.3263 120.8980 57.5512 41.2700 179.3408 67 A 2.6981 7.8738 121.0133 54.5558 18.2336 179.9370 68 G 3.5194 7.8268 104.0387 47.9679 0.0000 176.2387 69 R 4.0395 7.8154 120.1285 58.6158 30.0581 178.8586 70 W 4.4999 8.7485 128.3751 60.6616 30.6802 177.6300 71 A 4.0604 8.5616 122.0799 54.4628 17.7126 179.5496 72 A 3.9299 7.8510 118.7927 55.2157 18.4999 179.9455 73 K 4.0674 8.1509 117.0190 59.7791 32.1973 179.4100 74 E 3.7737 7.8589 118.5285 59.2678 29.2881 179.2961 75 A 3.9902 8.2092 121.0631 54.9780 18.3697 179.3528 76 F 4.1828 8.4062 119.1332 61.6998 39.4343 177.2829 77 I 3.5041 7.8707 119.3034 64.4108 36.8747 178.6149 78 K 3.9103 8.1725 118.9484 59.3442 31.9846 179.3571 79 A 4.1696 8.1278 121.1803 54.6723 18.0576 179.4469 80 W 4.0658 7.7753 126.0643 60.8265 31.1246 177.8353 81 S 4.0288 8.1416 115.3126 61.9347 62.2651 176.9494 82 Q 4.1098 8.6001 120.6563 58.8448 28.2321 178.5366 83 A 4.2832 7.8229 120.3864 53.4932 18.6728 177.7128 84 I 4.4585 7.4872 111.9973 59.7476 38.1686 175.1042 85 Y 4.0107 7.5894 121.5600 60.7959 38.8447 176.5213 86 G 3.7944 8.4082 114.7919 45.0946 0.0000 172.9185 87 K 4.6134 7.5931 118.7013 53.2805 34.8415 174.4446 88 P 4.3418 0.0000 0.0000 61.6870 31.9376 174.4963 89 P 3.9820 0.0000 0.0000 62.9764 31.8276 176.8084 90 V 3.5994 8.0718 122.8636 65.4464 31.7109 175.9338 91 I 4.3924 6.9142 118.5778 58.7593 39.1905 175.3230 92 E 3.8856 8.7193 123.9937 56.3661 29.8336 176.2332 93 P 4.1895 0.0000 0.0000 65.8831 31.4579 177.0206 94 D 4.6714 8.0239 114.5279 55.1039 41.0834 176.5177 95 L 4.5904 7.6829 118.0603 54.0481 43.0168 177.0116 96 V 3.3857 7.6354 119.3642 62.9207 31.9317 175.0247 97 N 4.6815 8.4872 125.8920 52.3055 38.0987 175.2309 98 F 4.2076 8.7388 125.3265 59.7935 39.3726 177.5714 99 A 4.2960 8.0092 122.0996 54.1333 17.9002 177.9755 100 E 4.2650 8.3329 115.0111 57.4399 29.9103 176.1606 101 I 4.4374 7.4211 120.7582 59.3406 36.7678 173.0328 102 E 4.6086 8.7571 126.6686 54.7461 31.5465 174.7549 103 V 4.2626 9.1734 128.3008 62.2586 32.2762 174.9814 104 L 4.6564 8.9564 132.5660 52.8953 43.2893 173.5574 105 P 5.2144 0.0000 0.0000 62.0347 33.0299 176.0849 106 D 4.7013 8.8917 122.1956 52.2162 41.3260 176.7101 107 R 3.4779 8.2969 118.1270 58.8300 29.6942 177.2155 108 W 4.5630 8.4294 115.2970 56.2158 29.1111 177.0627 109 G 4.0333 8.0968 106.8999 45.0174 0.0000 174.4808 110 R 4.1940 8.0546 119.1618 56.4080 31.2075 175.9618 111 V 5.0367 8.4062 115.1810 59.7249 34.7441 174.9192 112 A 4.7645 8.5940 123.9704 50.2444 22.9564 175.3047 113 L 4.5517 8.4792 120.8179 54.4611 43.0198 176.4795 114 Q 4.3442 9.0036 124.6145 54.2536 31.4857 173.8100 115 L 4.8486 8.3222 126.9610 53.7923 43.2004 176.2487 116 K 4.5685 8.8093 121.7898 53.8620 36.9641 178.5475 117 G 3.8577 8.8120 109.2814 44.8350 0.0000 175.0535 118 E 3.9027 9.2369 122.4923 59.0778 29.2405 178.2209 119 V 3.7238 8.0510 117.9246 66.1233 31.6084 177.7527 120 A 3.8284 7.8995 120.0141 54.9986 18.2854 179.5273 121 A 3.8901 7.9727 119.1374 55.4721 18.6067 180.1831 122 K 4.1419 8.8041 117.2050 59.0606 32.0070 179.5990 123 L 3.3379 8.0303 121.3343 57.8899 41.8643 178.4233 124 Q 4.0592 7.8679 119.8118 59.3462 28.7192 178.2372 125 E 4.1606 7.8927 115.9400 58.1800 30.0888 178.4552 126 S 4.4802 8.1390 115.4355 60.5042 63.6100 174.8388 127 I 4.4931 7.7484 111.2112 59.1370 38.8710 176.4576 128 G 3.8246 8.2323 110.0850 44.7381 0.0000 172.7944 129 D 4.4527 8.5479 118.4153 54.8034 41.2820 176.0001 130 V 4.8765 8.0743 115.1027 59.5293 36.0859 174.2862 131 E 4.7038 9.0164 122.4584 54.4984 32.1962 174.5042 132 L 5.3920 8.7119 125.8037 52.9252 44.8092 175.5941 133 A 4.8339 9.0786 123.6184 50.0900 22.2350 174.8377 134 L 5.3237 8.5263 122.3975 53.5640 45.7392 175.3936 135 S 4.7889 8.8382 117.2513 57.0445 66.3355 172.7048 136 I 5.1817 8.2663 124.8296 59.7823 40.7918 174.6311 137 S 4.8046 9.2417 119.7929 57.2001 66.2266 172.5153 138 H 5.3608 8.2676 119.2260 54.4111 31.5914 171.9702 139 D 4.5805 9.3429 118.8619 54.3325 45.3216 176.6639 140 G 3.7906 8.3535 112.4002 47.6085 0.0000 174.0596 141 D 4.7257 8.7724 124.1087 53.9649 41.2226 174.7707 142 Y 5.2450 8.1056 116.9183 56.1306 42.1585 174.2975 143 A 5.4024 8.9428 123.8203 50.6659 22.5181 175.1883 144 T 5.6043 9.5169 113.3104 60.0739 71.6914 172.4471 145 A 5.1937 8.3108 125.5346 50.6510 23.2669 174.7173 146 L 5.2212 8.9539 120.5910 53.4884 46.2293 174.7349 147 C 5.3665 9.2089 125.1656 57.5042 34.9090 172.0119 148 L 5.1014 9.0635 128.4087 53.1787 44.1605 174.4699 149 L 5.1708 8.8819 128.3493 53.3984 44.4129 175.4774 150 R 5.1897 9.0752 125.7537 54.7612 33.1161 174.6467 151 Y 5.1379 8.7287 120.0709 56.0089 42.1436 173.7145 152 Q 4.4621 8.5957 119.1357 54.7880 29.9224 176.5720 153 R 4.0385 8.3617 120.1197 56.6164 30.0367 176.5300 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 E 8.44 4.29 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 2.11 2.26 0.00 7 A 8.39 4.64 0.50 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 0.00 0.00 0.00 *9 T 9.05 4.49 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 1.35 0.00 0.00 10 V 8.36 5.02 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 0.75 0.00 0.00 0.95 0.00 0.00 11 G 9.12 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 0.00 0.00 0.00 12 V 8.52 5.07 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 0.73 0.00 0.00 0.94 0.00 0.00 13 D 9.00 4.84 0.00 2.68 2.46 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 14 L 8.62 5.10 0.00 1.67 1.56 1.02 0.82 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 15 V 8.94 4.53 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 0.91 0.00 0.00 1.12 0.00 0.00 16 H 8.97 4.35 0.00 3.22 3.20 0.00 5.92 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.52 3.66 1.78 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.34 0.90 0.00 0.00 18 P 0.00 4.31 0.00 1.99 2.04 0.00 2.75 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.03 0.00 19 G 7.81 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 20 F 8.50 4.12 0.00 3.04 3.22 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 21 A 8.58 3.89 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 22 E 8.01 3.84 0.00 2.09 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 0.00 2.31 2.49 0.00 23 Q 7.95 4.08 0.00 2.38 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 24 L 7.78 3.98 0.00 1.00 1.53 0.78 0.71 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 25 S 7.86 4.22 0.00 4.05 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 26 R 7.25 4.52 0.00 1.85 1.83 0.00 3.26 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 27 P 0.00 4.21 0.00 2.16 2.03 0.00 3.87 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 28 G 8.78 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 29 S 7.46 4.05 0.00 4.00 3.75 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 30 T 8.39 3.76 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 1.00 0.00 0.00 31 F 7.57 4.40 0.00 2.92 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 32 E 8.13 4.17 0.00 2.01 2.00 0.00 0.00 0.00 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 2.37 0.00 33 Q 7.55 4.62 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.64 0.00 0.00 0.00 0.00 0.00 2.50 2.30 0.00 34 V 7.43 4.03 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 0.08 0.00 0.00 0.76 0.00 0.00 35 F 7.75 5.25 0.00 3.19 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 36 S 9.32 4.54 0.00 4.10 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 0.00 37 P 0.00 4.27 0.00 2.21 2.18 0.00 3.66 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 2.15 2.19 0.00 38 L 7.99 3.96 0.00 1.73 1.89 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.26 4.04 0.00 2.50 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 0.00 2.47 2.48 0.00 40 R 8.24 3.88 0.00 2.06 2.00 0.00 3.22 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.94 0.00 41 R 8.26 3.84 0.00 2.16 1.97 0.00 3.12 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 42 H 8.97 4.05 0.00 3.35 3.48 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.07 3.83 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 44 Q 7.49 4.10 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.37 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 45 T 7.32 4.49 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 1.18 0.00 0.00 46 R 7.64 3.47 0.00 1.59 1.70 0.00 3.07 0.00 0.00 3.14 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.42 0.00 *59 A 8.69 4.16 1.29 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 60 G 8.04 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 61 S 8.60 4.16 0.00 3.85 3.88 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 62 R 7.82 3.88 0.00 1.95 2.21 0.00 2.93 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 63 T 7.84 3.87 4.40 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 1.32 0.00 0.00 64 E 8.46 3.79 0.00 1.84 1.67 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 2.24 2.48 0.00 65 H 8.10 4.05 0.00 3.29 3.48 0.00 5.78 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 66 L 8.33 3.75 0.00 1.86 1.49 0.73 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.87 2.70 0.79 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 0.00 0.00 68 G 7.83 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.82 4.04 0.00 2.28 2.37 0.00 3.15 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 70 W 8.75 4.50 0.00 3.41 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 71 A 8.56 4.06 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 72 A 7.85 3.93 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 0.00 0.00 73 K 8.15 4.07 0.00 1.90 2.16 0.00 1.99 0.00 0.00 1.99 0.00 0.00 3.30 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.83 1.82 7.81 74 E 7.86 3.77 0.00 1.88 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 0.00 1.47 1.47 0.00 75 A 8.21 3.99 1.47 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 0.00 0.00 76 F 8.41 4.18 0.00 3.12 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 77 I 7.87 3.50 2.07 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 1.99 1.03 0.88 0.00 0.00 78 K 8.17 3.91 0.00 1.95 1.84 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.58 7.81 79 A 8.13 4.17 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 80 W 7.78 4.07 0.00 2.55 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 81 S 8.14 4.03 0.00 3.93 3.79 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 82 Q 8.60 4.11 0.00 2.21 2.20 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 2.59 2.69 0.00 83 A 7.82 4.28 1.01 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 0.00 0.00 84 I 7.49 4.46 1.84 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 1.21 0.76 0.94 0.00 0.00 85 Y 7.59 4.01 0.00 3.12 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 86 G 8.41 3.79 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 0.00 0.00 0.00 87 K 7.59 4.61 0.00 1.83 1.66 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.32 7.81 88 P 0.00 4.34 0.00 2.10 1.99 0.00 3.74 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 1.93 1.94 0.00 89 P 0.00 3.98 0.00 1.91 1.84 0.00 3.58 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 90 V 8.07 3.60 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 0.90 0.00 0.00 0.84 0.00 0.00 91 I 6.91 4.39 1.73 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.80 0.87 0.00 0.00 92 E 8.72 3.89 0.00 1.96 1.88 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 2.36 2.28 0.00 93 P 0.00 4.19 0.00 2.04 2.16 0.00 3.63 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 1.99 2.06 0.00 94 D 8.02 4.67 0.00 2.67 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 95 L 7.68 4.59 0.00 1.68 1.66 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 96 V 7.64 3.39 1.70 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 -0.04 0.00 0.00 0.80 0.00 0.00 97 N 8.49 4.68 0.00 2.77 2.91 0.00 0.00 7.23 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 98 F 8.74 4.21 0.00 3.28 3.35 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 0.00 99 A 8.01 4.30 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 0.00 100 E 8.33 4.26 0.00 2.21 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 2.34 2.30 0.00 101 I 7.42 4.44 2.14 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.63 0.84 0.00 0.00 102 E 8.76 4.61 0.00 2.10 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 2.27 2.30 0.00 103 V 9.17 4.26 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 0.79 0.00 0.00 1.00 0.00 0.00 104 L 8.96 4.66 0.00 1.77 1.66 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 5.21 0.00 2.03 1.98 0.00 3.74 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 1.72 1.63 0.00 106 D 8.89 4.70 0.00 3.03 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 0.00 107 R 8.30 3.48 0.00 1.18 0.66 0.00 2.82 0.00 0.00 2.73 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.77 0.00 108 W 8.43 4.56 0.00 3.52 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 0.00 109 G 8.10 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 0.00 110 R 8.05 4.19 0.00 2.23 1.92 0.00 3.40 0.00 0.00 3.95 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.78 0.00 111 V 8.41 5.04 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 0.79 0.00 0.00 0.95 0.00 0.00 112 A 8.59 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 0.00 113 L 8.48 4.55 0.00 1.43 1.36 0.93 0.73 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 0.00 114 Q 9.00 4.34 0.00 2.03 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.93 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 115 L 8.32 4.85 0.00 1.41 1.42 0.14 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 116 K 8.81 4.57 0.00 1.75 1.86 0.00 1.47 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.36 7.81 117 G 8.81 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 0.00 118 E 9.24 3.90 0.00 2.07 2.31 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 2.45 2.43 0.00 119 V 8.05 3.72 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 1.13 0.00 0.00 1.10 0.00 0.00 120 A 7.90 3.83 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 0.00 121 A 7.97 3.89 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 0.00 122 K 8.80 4.14 0.00 2.09 2.16 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.64 1.71 7.81 123 L 8.03 3.34 0.00 0.87 1.46 -0.36 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 7.87 4.06 0.00 2.28 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.54 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 125 E 7.89 4.16 0.00 2.22 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 0.00 2.48 2.37 0.00 126 S 8.14 4.48 0.00 4.28 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 0.00 127 I 7.75 4.49 1.58 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.59 0.82 0.00 0.00 128 G 8.23 3.82 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 0.00 0.00 0.00 129 D 8.55 4.45 0.00 2.70 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 0.00 130 V 8.07 4.88 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 0.72 0.00 0.00 0.90 0.00 0.00 131 E 9.02 4.70 0.00 2.03 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 2.20 2.25 0.00 132 L 8.71 5.39 0.00 1.53 1.57 0.87 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 133 A 9.08 4.83 1.21 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 0.00 0.00 134 L 8.53 5.32 0.00 1.62 1.51 1.03 0.86 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 0.00 135 S 8.84 4.79 0.00 3.92 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 0.00 136 I 8.27 5.18 1.88 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 1.24 0.80 0.92 0.00 0.00 137 S 9.24 4.80 0.00 3.81 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 0.00 138 H 8.27 5.36 0.00 3.27 3.21 0.00 5.81 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 D 9.34 4.58 0.00 2.73 2.53 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 0.00 140 G 8.35 3.79 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 0.00 0.00 0.00 141 D 8.77 4.73 0.00 2.71 2.35 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 0.00 142 Y 8.11 5.25 0.00 3.00 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 0.00 143 A 8.94 5.40 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 0.00 144 T 9.52 5.60 4.28 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 1.23 0.00 0.00 145 A 8.31 5.19 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 0.00 146 L 8.95 5.22 0.00 1.69 1.46 0.93 0.74 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 0.00 147 C 9.21 5.37 0.00 3.08 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 0.00 148 L 9.06 5.10 0.00 1.79 1.52 0.95 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 149 L 8.88 5.17 0.00 1.72 1.58 0.87 1.00 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 0.00 150 R 9.08 5.19 0.00 1.81 1.81 0.00 3.56 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 151 Y 8.73 5.14 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 0.00 152 Q 8.60 4.46 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.10 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 153 R 8.36 4.04 0.00 1.73 1.82 0.00 3.15 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.39 0.00 * Residues marked with a * may have inaccurate shift predictions.