NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 A 4.2808 8.2531 123.5576 52.1389 19.9273 177.7167 16 G 3.8116 8.7191 108.5589 46.0219 0.0000 174.0018 17 I 3.6696 8.0490 121.1595 64.1851 38.2082 175.4936 18 T 3.8974 7.8050 115.9203 62.7615 68.9240 174.8068 19 G 3.6221 7.2041 112.7618 45.4697 0.0000 170.4101 20 T 4.8623 7.5609 115.9865 61.5966 71.2650 173.8621 21 W 5.6223 9.1453 124.8172 55.3445 34.0873 173.7582 22 Y 5.7853 9.7214 118.0543 55.5106 42.4212 174.2182 23 N 5.6134 8.9102 118.4547 49.8062 40.4702 175.2227 24 Q 4.0951 8.7139 116.0969 58.9442 28.5408 177.6284 25 L 4.1280 8.0128 117.5086 55.6888 41.9568 177.7432 26 G 4.0714 8.2189 106.6017 44.9190 0.0000 173.8309 27 S 4.6911 8.1729 115.5616 58.6401 64.7322 172.9965 28 T 4.3746 8.7688 118.2622 61.5449 71.8194 173.0478 29 F 5.0368 8.6823 127.4780 56.4420 42.5720 173.3212 30 I 4.7606 8.4379 127.5415 59.3991 39.4336 175.2369 31 V 4.6412 8.3307 125.5875 60.2602 35.4800 174.0005 32 T 4.6966 8.6520 118.2996 61.7113 71.8204 172.6443 33 A 4.8262 8.5352 128.8072 50.3189 20.2426 177.1776 34 G 3.9092 9.2729 112.4454 44.3914 0.0000 174.7035 35 A 4.0873 8.5511 123.6567 54.6930 18.5401 178.3257 36 D 4.5512 8.1201 113.4532 53.3979 39.8507 177.2264 37 G 3.2156 8.3848 107.9369 45.4521 0.0000 173.3201 38 A 4.9545 7.8543 121.6615 51.1406 20.6862 176.9041 39 L 5.3287 8.8492 119.5364 53.1476 45.2420 176.0322 40 T 4.9517 8.6978 112.5849 59.8293 72.6066 174.3336 41 G 4.5018 7.6029 108.5067 46.2542 0.0000 171.5285 42 T 5.2488 7.5379 108.9992 60.2306 72.9684 172.4006 43 Y 5.1469 9.5462 123.5391 55.9691 42.6153 173.9033 44 E 5.1995 9.2265 125.4635 54.8296 32.6800 174.7114 45 S 5.1949 9.2992 119.6118 57.1654 63.3763 173.8599 46 A 4.3790 8.6773 128.4220 52.9776 19.2348 177.2310 47 V 4.3043 7.0221 107.8455 59.9727 35.0135 176.5044 48 G 3.6281 8.1860 109.4232 45.0674 0.0000 173.4680 49 N 4.5617 8.1592 114.4762 52.0364 37.2898 174.5124 50 A 5.0813 7.3460 122.2271 50.3330 23.0269 175.5628 51 E 4.6611 9.6879 116.9199 56.2423 32.7567 176.9835 52 S 3.7598 8.4947 116.5332 57.7095 62.0982 170.2409 53 R 4.8317 8.2222 117.1458 56.2005 31.3176 175.7983 54 Y 4.8948 8.9782 118.2414 56.0485 42.1373 175.3216 55 V 4.3775 8.6220 122.7880 62.8825 32.2891 175.0378 56 L 5.2302 8.7327 126.3625 54.4624 44.1410 175.1325 57 T 4.8162 8.5050 114.1307 61.2674 71.5456 173.0992 58 G 4.7483 8.7101 112.7752 46.3579 0.0000 171.8702 59 R 5.5912 8.6612 117.2465 55.0648 34.9150 174.1015 60 Y 5.2338 8.3901 117.9076 55.6042 41.9599 174.3483 61 D 4.3524 9.0296 120.7300 53.8470 40.8996 176.8541 62 S 4.4077 8.2207 120.6666 59.1067 63.9795 174.5669 63 A 4.6582 8.0406 123.6335 50.3059 18.8471 173.3152 64 P 4.6715 0.0000 0.0000 61.4131 32.1271 176.1277 65 A 4.1338 7.7048 121.1299 53.6198 19.6269 177.9677 *69 S 4.2118 7.5400 109.8142 57.2724 64.4970 173.6962 70 G 3.9967 8.3457 108.4023 46.2198 0.0000 172.8795 71 T 4.8326 8.8221 116.6298 61.4708 70.3781 174.7923 72 A 4.7926 8.7415 129.2467 52.2585 19.9472 175.8451 73 L 4.8624 8.8819 120.0763 55.7600 44.6397 173.5871 74 G 4.6432 8.9681 105.1436 45.7833 0.0000 172.2335 75 W 5.7295 8.5783 116.8245 55.7119 31.8905 173.4682 76 T 5.2367 9.1690 117.0005 61.9386 72.4417 173.3104 77 V 4.3625 8.4697 122.6125 61.1696 34.9081 173.7082 78 A 4.5516 8.2801 129.5242 49.1250 20.5064 178.0525 79 W 4.2985 8.1414 126.3295 56.1531 27.8718 176.3459 80 K 5.2858 7.8619 118.1451 54.7966 35.2249 174.5854 81 N 4.9076 8.6779 122.0492 52.1072 39.7380 173.6360 82 N 4.3557 8.5105 113.9486 55.1444 38.8150 175.1885 83 Y 4.6206 8.0674 115.2248 58.5869 40.2545 175.8864 84 R 4.7787 7.8884 116.2079 54.8212 34.4200 173.4869 85 N 5.2190 8.5461 117.2525 52.6727 41.1570 173.8680 86 A 4.4061 8.9249 128.0627 51.5463 20.1962 175.8365 87 H 4.1774 8.5898 113.4127 55.9903 26.9174 173.5287 88 S 5.2155 7.5429 111.2822 57.7816 66.9640 173.8417 89 A 5.0006 9.0315 120.8821 50.8913 22.8807 175.3144 90 T 4.9420 8.4793 117.5107 61.6944 72.0834 173.3806 91 T 4.9034 8.3107 114.9181 59.6321 71.8758 172.5505 92 W 4.9128 8.7111 126.1316 54.6723 31.6785 174.8175 93 S 4.9722 8.6118 119.3637 56.8518 64.9495 173.0660 94 G 4.9557 8.7800 112.9951 47.1066 0.0000 171.7113 95 Q 5.3448 8.3670 117.2364 54.7618 32.6249 173.3972 96 Y 5.0572 9.2481 123.2551 56.7304 40.7254 174.1941 97 V 4.1205 8.6840 126.7441 61.0670 34.2489 175.5348 98 G 3.9525 7.9706 116.2370 44.7848 0.0000 169.5030 99 G 3.8519 8.9045 103.7938 44.0909 0.0000 172.8018 100 A 3.9440 8.8234 121.8984 54.8135 18.3442 178.0856 101 E 4.4142 7.8279 120.9555 53.9596 30.0784 175.3106 102 A 4.5735 8.3055 128.0675 52.4697 19.5449 176.4464 103 R 5.3819 9.1715 117.8456 55.2723 35.7341 174.3436 104 I 5.0261 8.8964 122.5424 59.8743 40.2169 174.1932 105 N 5.4719 9.0562 125.7874 52.1102 40.5975 174.6604 106 T 5.3044 9.1571 112.7688 60.4281 73.3827 172.4841 107 Q 5.0672 9.0273 120.0493 53.8345 32.9296 174.8003 108 W 5.3837 8.5671 119.1250 54.6194 32.4234 173.8239 109 L 5.2272 8.6970 119.9891 52.8723 44.8476 175.3014 110 L 4.9593 9.1604 126.0599 53.7099 44.5595 174.8920 111 T 5.0996 8.9123 123.8153 61.9769 71.0673 173.7645 112 S 5.1747 8.5852 122.1657 56.5841 65.1508 174.3512 113 G 3.9098 8.8294 111.9686 46.5151 0.0000 173.0411 114 T 4.7797 8.2495 113.7154 59.8293 72.3172 173.0754 115 T 4.3517 8.0440 111.6940 60.6516 70.1796 175.4975 116 E 3.9730 8.8888 120.8142 59.7654 29.1424 179.5638 117 A 4.1420 8.0764 118.7922 54.5586 18.7711 178.2218 118 N 4.7241 7.7936 112.5611 53.2371 38.8339 176.7803 119 A 4.1201 8.1128 126.4070 54.1280 18.1466 180.1279 120 W 4.2850 8.3392 113.7310 58.4987 28.4129 176.8236 121 K 4.0741 6.6983 117.9472 56.1229 32.2789 177.4612 122 S 4.2073 7.6900 117.0453 60.9227 63.5517 173.5234 123 T 5.1337 7.6519 117.0779 61.6252 70.7433 173.6858 124 L 4.8379 8.7914 126.2997 53.2399 44.3703 175.9079 125 V 4.3732 7.8633 120.0492 60.3335 34.6638 174.9645 126 G 3.0870 6.5273 107.9889 45.6395 0.0000 170.9779 127 H 5.4414 7.9861 113.9193 54.2005 31.6206 172.7034 128 D 5.1931 9.3066 119.4921 53.0481 45.6284 174.3667 129 T 5.2593 8.9733 117.9397 61.9206 71.8950 172.9559 130 F 5.4749 9.8137 125.0844 56.1891 42.0396 174.6306 131 T 5.2155 9.4579 119.8610 61.6831 71.2034 173.5378 132 K 3.6820 8.3514 127.4108 55.6186 33.0382 176.9819 133 V 3.8070 7.9740 125.7998 63.1071 31.4145 175.4875 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 15 A 8.25 4.28 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 16 G 8.72 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 17 I 8.05 3.67 1.29 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 -0.36 0.49 0.00 0.00 18 T 7.81 3.90 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 1.15 0.00 0.00 19 G 7.20 3.62 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 0.00 20 T 7.56 4.86 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 1.06 0.00 0.00 21 W 9.15 5.62 0.00 3.34 3.33 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 22 Y 9.72 5.79 0.00 2.97 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 23 N 8.91 5.61 0.00 2.38 1.66 0.00 0.00 6.48 7.26 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 24 Q 8.71 4.10 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.10 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 25 L 8.01 4.13 0.00 1.92 1.81 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.22 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 27 S 8.17 4.69 0.00 4.05 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 28 T 8.77 4.37 4.12 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 0.85 0.00 0.00 29 F 8.68 5.04 0.00 2.52 2.57 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 0.00 0.00 0.00 0.00 30 I 8.44 4.76 1.73 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 1.12 0.39 0.77 0.00 0.00 31 V 8.33 4.64 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 0.00 0.00 -0.10 0.00 0.00 0.47 0.00 0.00 32 T 8.65 4.70 4.15 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 0.00 0.00 1.14 0.00 0.00 33 A 8.54 4.83 0.64 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 34 G 9.27 3.91 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 0.00 0.00 0.00 35 A 8.55 4.09 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 36 D 8.12 4.55 0.00 2.78 2.76 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 37 G 8.38 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 0.00 0.00 0.00 38 A 7.85 4.95 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 39 L 8.85 5.33 0.00 1.75 1.50 1.12 0.24 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 40 T 8.70 4.95 4.21 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 1.21 0.00 0.00 41 G 7.60 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 0.00 0.00 0.00 0.00 42 T 7.54 5.25 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 1.22 0.00 0.00 43 Y 9.55 5.15 0.00 2.99 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 44 E 9.23 5.20 0.00 1.88 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 2.32 2.30 0.00 45 S 9.30 5.19 0.00 4.25 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 46 A 8.68 4.38 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 47 V 7.02 4.30 1.99 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 0.71 0.00 0.00 0.74 0.00 0.00 48 G 8.19 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 49 N 8.16 4.56 0.00 2.64 2.69 0.00 0.00 6.54 7.96 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 50 A 7.35 5.08 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 51 E 9.69 4.66 0.00 2.04 1.95 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 2.33 2.25 0.00 52 S 8.49 3.76 0.00 3.77 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 53 R 8.22 4.83 0.00 1.75 1.90 0.00 3.22 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 54 Y 8.98 4.89 0.00 3.01 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.62 4.38 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 0.81 0.00 0.00 0.96 0.00 0.00 56 L 8.73 5.23 0.00 2.06 1.79 0.87 0.65 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 57 T 8.51 4.82 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 1.25 0.00 0.00 58 G 8.71 4.75 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 0.00 0.00 0.00 59 R 8.66 5.59 0.00 1.78 1.78 0.00 3.31 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 1.59 1.73 0.00 60 Y 8.39 5.23 0.00 2.99 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 61 D 9.03 4.35 0.00 2.74 2.68 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 0.00 0.00 0.00 0.00 62 S 8.22 4.41 0.00 3.90 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 63 A 8.04 4.66 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 64 P 0.00 4.67 0.00 2.28 2.20 0.00 3.43 0.00 0.00 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 65 A 7.70 4.13 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 *69 S 7.54 4.21 0.00 4.05 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 70 G 8.35 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 71 T 8.82 4.83 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 72 A 8.74 4.79 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 73 L 8.88 4.86 0.00 2.07 1.93 0.94 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 74 G 8.97 4.64 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 75 W 8.58 5.73 0.00 3.53 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 76 T 9.17 5.24 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 1.18 0.00 0.00 77 V 8.47 4.36 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 0.79 0.00 0.00 78 A 8.28 4.55 1.17 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 79 W 8.14 4.30 0.00 3.37 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 80 K 7.86 5.29 0.00 1.86 1.72 0.00 1.79 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.46 7.81 81 N 8.68 4.91 0.00 2.67 2.50 0.00 0.00 7.05 8.12 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 82 N 8.51 4.36 0.00 2.01 2.41 0.00 0.00 6.62 7.46 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 83 Y 8.07 4.62 0.00 2.98 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 84 R 7.89 4.78 0.00 2.04 1.89 0.00 3.31 0.00 0.00 3.42 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.78 0.00 85 N 8.55 5.22 0.00 2.64 2.59 0.00 0.00 6.88 7.96 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 86 A 8.92 4.41 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 87 H 8.59 4.18 0.00 3.36 3.34 0.00 5.64 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 88 S 7.54 5.22 0.00 4.01 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 89 A 9.03 5.00 1.17 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 90 T 8.48 4.94 3.48 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 -0.35 0.00 0.00 91 T 8.31 4.90 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 1.13 0.00 0.00 92 W 8.71 4.91 0.00 1.78 1.99 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 93 S 8.61 4.97 0.00 3.81 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 94 G 8.78 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 95 Q 8.37 5.34 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 96 Y 9.25 5.06 0.00 3.00 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 97 V 8.68 4.12 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 0.93 0.00 0.00 0.93 0.00 0.00 98 G 7.97 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 99 G 8.90 3.85 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 0.00 0.00 0.00 100 A 8.82 3.94 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 0.00 101 E 7.83 4.41 0.00 1.93 1.91 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 2.20 2.25 0.00 102 A 8.31 4.57 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 0.00 103 R 9.17 5.38 0.00 1.86 1.95 0.00 3.16 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.82 0.00 104 I 8.90 5.03 1.76 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 -0.29 0.99 0.00 0.00 105 N 9.06 5.47 0.00 2.75 2.82 0.00 0.00 6.07 7.03 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 0.00 106 T 9.16 5.30 4.45 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 1.40 0.00 0.00 107 Q 9.03 5.07 0.00 1.95 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 108 W 8.57 5.38 0.00 2.63 2.37 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 0.00 109 L 8.70 5.23 0.00 1.51 1.53 0.87 0.30 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 0.00 110 L 9.16 4.96 0.00 1.60 1.69 1.00 0.41 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 0.00 111 T 8.91 5.10 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 1.19 0.00 0.00 112 S 8.59 5.17 0.00 3.71 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 0.00 113 G 8.83 3.91 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 0.00 0.00 0.00 114 T 8.25 4.78 4.19 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 1.17 0.00 0.00 115 T 8.04 4.35 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 1.21 0.00 0.00 116 E 8.89 3.97 0.00 2.02 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 2.42 2.35 0.00 117 A 8.08 4.14 1.35 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 0.00 0.00 118 N 7.79 4.72 0.00 2.66 2.69 0.00 0.00 6.82 7.83 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 0.00 119 A 8.11 4.12 1.40 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 0.00 0.00 120 W 8.34 4.28 0.00 3.57 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 0.00 121 K 6.70 4.07 0.00 1.13 0.74 0.00 1.04 0.00 0.00 1.02 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.78 0.86 7.81 122 S 7.69 4.21 0.00 4.06 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 0.00 123 T 7.65 5.13 4.21 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 1.19 0.00 0.00 124 L 8.79 4.84 0.00 1.79 1.71 0.97 0.50 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 0.00 125 V 7.86 4.37 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 0.54 0.00 0.00 0.71 0.00 0.00 126 G 6.53 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 0.00 0.00 0.00 127 H 7.99 5.44 0.00 3.19 3.13 0.00 5.67 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.31 5.19 0.00 3.03 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 0.00 129 T 8.97 5.26 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 1.41 0.00 0.00 130 F 9.81 5.47 0.00 3.05 3.30 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 0.00 131 T 9.46 5.22 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 132 K 8.35 3.68 0.00 0.79 1.20 0.00 1.03 0.00 0.00 1.27 0.00 0.00 2.58 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.83 0.21 7.81 133 V 7.97 3.81 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 0.78 0.00 0.00 1.16 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.