NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3252 8.2644 123.5788 51.6249 19.9508 176.3360 5 Y 3.8421 8.5484 121.6246 56.9018 39.4923 173.8871 6 D 4.5262 8.3865 127.5658 52.6358 41.9874 175.9867 7 N 4.6520 8.6184 124.3081 54.9674 38.8177 175.4558 8 N 4.7765 8.2479 116.5489 53.0866 39.2477 175.0172 9 N 4.4812 7.8326 115.8380 52.6580 39.2804 175.8621 10 I 3.6819 8.0468 115.9278 64.3317 37.6571 178.3821 11 F 4.5658 8.0348 118.7156 60.0121 38.9055 177.4951 12 A 4.1218 8.5375 120.7832 55.0317 18.0825 179.8033 13 K 4.0652 8.2734 117.1343 59.4029 32.0921 179.2462 14 L 4.0071 7.9737 120.5713 58.3234 41.7818 179.0280 15 I 3.6803 7.5177 118.2565 64.4129 37.1708 177.8811 16 R 4.2012 7.7323 115.3208 55.9884 30.0178 176.4814 17 N 4.3434 7.9138 115.1794 54.3210 36.3894 175.3894 18 E 4.2253 8.4292 120.8299 58.0865 29.9386 177.2755 19 I 4.6852 7.2747 110.3407 57.8308 40.6451 173.2641 20 P 4.4818 0.0000 0.0000 63.1370 31.9364 175.4376 21 S 4.5534 7.9947 112.7147 57.2062 66.2817 174.2002 22 V 4.1273 8.4792 121.9718 61.9803 31.5763 174.3496 23 R 4.9227 8.4124 126.2442 55.5380 30.7860 176.8280 24 V 4.3729 8.6446 115.5504 62.1669 33.7331 175.4137 25 Y 4.7437 7.7770 118.5534 56.9826 41.9781 172.5086 26 E 4.8988 7.3899 124.3361 55.4937 32.4931 173.8403 27 D 4.7668 8.1912 125.5389 51.8166 42.3440 175.3199 28 D 4.1208 8.8469 117.2513 57.2683 41.0575 177.0464 29 D 4.9188 8.9447 117.4213 54.1346 43.2306 175.8906 30 V 5.0932 7.5485 110.9307 59.6750 36.6681 174.4809 31 I 5.1223 8.6801 122.0524 59.6004 41.2641 174.3205 32 A 5.3725 9.2525 128.3964 50.3117 21.9831 175.1202 33 F 5.2488 8.3275 115.2386 55.7118 41.9275 173.3658 34 M 4.6122 8.8191 120.6088 55.1845 32.3924 176.0555 35 D 4.5792 8.5061 124.6018 54.2472 41.7490 176.2659 36 I 4.1082 8.7413 118.2315 62.2035 38.8725 175.0699 37 M 5.1135 8.2174 120.5613 53.0369 31.8958 173.6833 38 P 4.4058 0.0000 0.0000 62.9798 32.5033 177.6800 39 Q 4.1756 8.9642 119.1236 57.8316 29.4923 175.6898 40 A 4.5506 7.4034 118.9289 49.9267 21.9653 173.6073 41 P 4.3279 0.0000 0.0000 64.1270 31.6609 177.3803 42 G 3.3331 8.6865 111.0443 44.5529 0.0000 172.3279 43 H 4.2111 7.9489 120.4563 57.4081 30.7506 173.9689 44 T 5.0533 8.9330 122.0442 61.6787 72.2137 173.0377 45 L 4.9095 8.4083 124.6388 52.8040 44.7811 175.5184 46 V 4.8786 8.3882 122.6055 61.0035 34.3230 174.3116 47 I 5.3143 8.7623 121.0009 58.3067 40.9068 173.1958 48 P 4.8715 0.0000 0.0000 62.8972 31.6919 176.4999 49 K 4.2264 9.0152 121.7683 59.0448 32.8179 177.8522 50 K 4.1025 8.0747 121.6632 55.4559 32.6255 176.4773 51 G 3.4692 8.4292 116.1730 45.3912 0.0000 172.4908 52 S 4.4517 7.8946 116.2043 56.3811 66.2431 175.2813 53 R 4.7601 9.7612 120.7001 58.9857 30.4631 176.6740 54 N 4.5536 8.3831 114.9087 52.9531 40.7561 174.3395 55 L 4.1874 8.8028 117.0432 57.8688 42.6049 180.0040 56 L 4.1505 8.1066 118.4604 56.8260 41.5477 177.3805 57 D 4.7917 7.8823 114.3500 52.6133 40.3550 176.2374 58 A 4.1410 7.4106 122.5360 51.8579 19.0575 177.2666 59 D 4.5150 8.3581 120.8482 53.1964 40.5990 177.7294 60 T 3.6852 8.4504 118.4977 66.7987 68.6217 176.5013 61 E 3.4629 7.8974 120.5251 59.4331 29.2775 179.2939 62 T 3.8431 7.7036 115.7976 66.3919 68.3383 176.4878 63 L 4.0838 7.4261 120.6460 57.1293 41.5355 179.2613 64 F 4.5559 7.3570 118.3843 60.0358 38.9434 175.6644 65 P 4.3175 0.0000 0.0000 65.9708 30.8218 178.3218 66 V 3.5281 7.5942 117.7985 66.0528 31.5207 177.9516 67 I 3.3298 7.9980 118.4947 63.6232 37.7798 177.7432 68 K 3.8681 8.2258 120.5139 59.4332 32.0152 178.6911 69 A 3.8574 8.1345 121.0892 54.9759 18.2310 179.7054 70 V 3.4126 7.8767 117.1060 66.0084 31.5272 178.0865 71 Q 3.8256 7.9740 119.1858 58.9919 28.9696 177.8722 72 K 3.7284 7.8627 120.5833 59.8087 32.1333 178.7608 73 I 3.6432 8.0407 120.0270 63.9561 36.9998 177.9783 74 A 3.9581 8.2575 122.2148 55.3747 18.1660 179.9371 75 K 3.8983 8.0599 116.3631 59.4798 32.0621 179.5442 76 A 3.9628 7.9630 121.0346 55.1172 18.3098 179.8615 77 V 3.6877 8.2391 117.1893 66.0340 31.6626 178.0210 78 K 3.9237 8.1243 119.3758 59.4531 32.0669 178.6772 79 K 3.9195 8.2652 119.5384 59.4754 31.9677 178.5622 80 A 3.8905 8.1562 120.1216 54.6042 18.3536 178.6864 81 F 4.4470 8.0521 112.5013 56.0161 40.1494 175.7896 82 Q 3.3543 7.8346 116.2873 56.7268 26.8013 174.2410 83 A 4.2821 7.9159 118.8165 52.3688 19.3415 178.2116 84 D 4.6035 8.5123 120.6826 56.6243 41.8076 176.6323 85 G 4.2890 7.7839 103.8254 45.0760 0.0000 171.7575 86 I 5.1066 8.1020 119.7969 59.7096 40.5766 175.1715 87 T 4.4900 8.9420 124.4111 62.0651 70.3336 173.7735 88 V 5.4334 8.3059 126.0017 60.6989 33.6261 174.5220 89 M 4.8104 8.4839 126.1174 53.5997 36.2141 174.2167 90 Q 4.1200 8.0562 121.9340 54.4735 32.1606 173.7135 91 F 5.2077 8.2884 123.9623 54.8446 41.5411 174.5036 92 N 4.9505 8.7952 121.9888 52.9619 40.2874 175.0866 93 E 4.4332 9.8039 118.9876 55.9944 29.5527 175.8083 94 A 4.0164 8.7781 122.2459 55.5577 18.4508 179.9125 95 A 3.9738 7.9891 116.6331 54.3364 18.7046 177.7918 96 S 4.4101 7.9163 109.6250 57.2998 62.4434 173.7451 97 Q 3.1999 7.8711 115.7571 56.5555 26.4326 173.7187 98 Q 4.1674 7.9829 119.3856 56.2499 29.4047 175.3128 99 T 4.1751 8.4147 115.1200 61.7000 70.3960 174.8085 100 V 3.9892 7.2475 120.9499 61.0415 34.1748 175.4320 101 Y 4.5285 8.1328 128.4768 57.4844 37.2855 174.8295 102 H 5.5490 7.6730 117.7466 53.8324 33.5471 172.0621 103 L 4.2188 8.3300 128.8916 56.3587 42.1950 175.9216 104 H 5.3363 8.5829 120.1140 54.4127 31.8947 172.3954 105 F 4.7516 9.1961 119.5087 56.1738 41.4593 174.6055 106 H 4.8968 9.1384 121.2767 55.2164 30.5781 174.5284 107 I 4.6477 8.8072 123.1393 59.7229 40.2250 174.6160 108 I 4.7446 8.6683 129.3456 58.3804 39.7971 173.8193 109 P 4.8509 0.0000 0.0000 62.8706 32.2925 175.8762 110 R 4.8120 9.0720 120.3730 54.7127 34.5849 174.1992 111 M 5.1526 8.4134 121.9953 53.7398 35.7379 175.8877 112 E 4.1178 9.1148 119.7549 57.6748 30.1912 175.4581 113 G 4.2047 9.0002 112.7794 44.5868 0.0000 173.7018 114 I 4.2023 7.1755 121.7242 60.4838 38.4541 174.4245 *123 I 4.1471 8.1105 123.1607 62.2022 38.1747 176.0506 124 T 4.0062 8.4704 124.6204 62.9495 69.1043 172.6761 125 P 4.2516 0.0000 0.0000 63.5107 32.1316 177.6149 126 T 3.9317 8.8661 120.2804 66.7533 68.3719 176.6664 127 E 4.1490 8.1735 119.1030 59.3492 29.5941 179.2686 128 I 3.7550 7.7025 120.3716 64.2348 37.2455 178.1181 129 L 4.0638 7.8536 119.4808 57.7268 41.4301 179.2792 130 E 3.9573 8.7142 119.7547 59.2379 29.4998 178.4804 131 E 3.9649 8.2493 119.4415 59.3177 29.8289 178.4841 132 N 4.4732 8.3641 116.3831 56.3677 38.6291 177.1037 133 A 4.1047 8.5015 122.5305 55.1253 18.3472 179.7177 134 K 3.8834 8.2106 116.8722 59.6188 31.9372 179.5270 135 K 3.8146 7.4635 117.3729 59.5764 32.3537 179.1830 136 I 3.8907 7.6493 119.4501 64.4882 36.9382 178.6424 137 R 3.9711 8.4765 119.1368 59.3691 29.6755 179.0233 138 A 4.0058 8.1551 119.4001 54.5378 18.4442 178.7774 139 A 4.2166 7.5670 117.1909 53.2857 18.9761 177.4036 140 L 4.0808 7.4913 122.2984 54.9433 41.6649 176.8971 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 4 A 8.26 4.33 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 5 Y 8.55 3.84 0.00 3.00 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 6 D 8.39 4.53 0.00 2.62 2.27 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 7 N 8.62 4.65 0.00 2.81 2.94 0.00 0.00 7.01 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.25 4.78 0.00 2.63 2.75 0.00 0.00 7.16 7.31 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 9 N 7.83 4.48 0.00 2.93 2.84 0.00 0.00 6.74 7.53 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 10 I 8.05 3.68 1.85 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.13 0.84 0.00 0.00 11 F 8.03 4.57 0.00 3.12 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 12 A 8.54 4.12 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 13 K 8.27 4.07 0.00 2.00 1.87 0.00 1.89 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.69 7.81 14 L 7.97 4.01 0.00 1.78 1.79 -0.17 0.54 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 15 I 7.52 3.68 2.04 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 1.52 0.70 0.93 0.00 0.00 16 R 7.73 4.20 0.00 1.82 1.97 0.00 3.28 0.00 0.00 3.26 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 17 N 7.91 4.34 0.00 2.88 2.93 0.00 0.00 6.96 7.25 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 18 E 8.43 4.23 0.00 2.06 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 2.33 2.24 0.00 19 I 7.27 4.69 1.86 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 1.45 0.61 0.90 0.00 0.00 20 P 0.00 4.48 0.00 2.19 2.08 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 21 S 7.99 4.55 0.00 3.60 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 22 V 8.48 4.13 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 1.13 0.00 0.00 0.97 0.00 0.00 23 R 8.41 4.92 0.00 1.76 1.88 0.00 3.21 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 24 V 8.64 4.37 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 0.71 0.00 0.00 1.04 0.00 0.00 25 Y 7.78 4.74 0.00 3.03 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 26 E 7.39 4.90 0.00 1.87 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.35 0.00 27 D 8.19 4.77 0.00 2.85 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.85 4.12 0.00 2.67 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 29 D 8.94 4.92 0.00 2.67 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.55 5.09 2.25 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 0.90 0.00 0.00 1.25 0.00 0.00 31 I 8.68 5.12 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.73 0.99 0.00 0.00 32 A 9.25 5.37 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 33 F 8.33 5.25 0.00 3.21 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 34 M 8.82 4.61 0.00 1.97 2.13 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.88 0.00 35 D 8.51 4.58 0.00 2.39 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 0.00 0.00 0.00 36 I 8.74 4.11 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.57 1.04 0.00 0.00 37 M 8.22 5.11 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.45 0.00 38 P 0.00 4.41 0.00 2.34 2.05 0.00 3.77 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 39 Q 8.96 4.18 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 40 A 7.40 4.55 1.12 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 0.00 0.00 41 P 0.00 4.33 0.00 1.86 2.01 0.00 3.57 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 2.02 2.07 0.00 42 G 8.69 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 0.00 0.00 0.00 43 H 7.95 4.21 0.00 3.31 3.17 0.00 5.54 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.93 5.05 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 1.17 0.00 0.00 45 L 8.41 4.91 0.00 0.27 0.88 0.78 0.60 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 46 V 8.39 4.88 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 1.02 0.00 0.00 0.89 0.00 0.00 47 I 8.76 5.31 2.08 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.72 0.93 0.00 0.00 48 P 0.00 4.87 0.00 2.31 2.14 0.00 4.15 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 2.11 2.06 0.00 49 K 9.02 4.23 0.00 1.64 1.93 0.00 1.89 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.40 7.81 50 K 8.07 4.10 0.00 1.70 1.70 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.39 7.81 51 G 8.43 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 0.00 0.00 0.00 52 S 7.89 4.45 0.00 4.25 3.84 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 53 R 9.76 4.76 0.00 2.13 2.25 0.00 3.22 0.00 0.00 3.19 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.89 0.00 54 N 8.38 4.55 0.00 2.97 2.92 0.00 0.00 7.00 7.33 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 55 L 8.80 4.19 0.00 1.80 1.80 1.05 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.11 4.15 0.00 1.85 1.74 0.96 1.03 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 57 D 7.88 4.79 0.00 2.76 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 58 A 7.41 4.14 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 59 D 8.36 4.52 0.00 2.85 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 60 T 8.45 3.69 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 1.14 0.00 0.00 61 E 7.90 3.46 0.00 2.15 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 2.40 2.49 0.00 62 T 7.70 3.84 4.33 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 1.20 0.00 0.00 63 L 7.43 4.08 0.00 1.55 1.70 0.91 1.15 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 64 F 7.36 4.56 0.00 3.06 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 65 P 0.00 4.32 0.00 2.30 2.38 0.00 4.02 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.17 0.00 66 V 7.59 3.53 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 0.95 0.00 0.00 1.00 0.00 0.00 67 I 8.00 3.33 1.86 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.95 1.02 0.00 0.00 68 K 8.23 3.87 0.00 1.94 2.01 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 69 A 8.13 3.86 1.46 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 70 V 7.88 3.41 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 0.88 0.00 0.00 0.46 0.00 0.00 71 Q 7.97 3.83 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.53 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 72 K 7.86 3.73 0.00 1.80 1.64 0.00 1.48 0.00 0.00 0.89 0.00 0.00 2.90 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.04 1.30 7.81 73 I 8.04 3.64 1.79 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.61 0.87 0.00 0.00 74 A 8.26 3.96 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 75 K 8.06 3.90 0.00 1.92 1.84 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.58 7.81 76 A 7.96 3.96 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 77 V 8.24 3.69 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 1.00 0.00 0.00 0.99 0.00 0.00 78 K 8.12 3.92 0.00 1.96 1.95 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.62 7.81 79 K 8.27 3.92 0.00 1.94 1.77 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.44 7.81 80 A 8.16 3.89 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 81 F 8.05 4.45 0.00 3.06 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 82 Q 7.83 3.35 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 83 A 7.92 4.28 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 84 D 8.51 4.60 0.00 2.67 2.74 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 85 G 7.78 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 0.00 0.00 0.00 0.00 86 I 8.10 5.11 1.86 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 1.34 1.08 0.89 0.00 0.00 87 T 8.94 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 1.20 0.00 0.00 88 V 8.31 5.43 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 0.87 0.00 0.00 0.93 0.00 0.00 89 M 8.48 4.81 0.00 1.52 1.28 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 90 Q 8.06 4.12 0.00 1.01 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.69 0.00 0.00 0.00 0.00 0.00 1.60 1.16 0.00 91 F 8.29 5.21 0.00 2.99 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 92 N 8.80 4.95 0.00 2.71 2.78 0.00 0.00 7.21 7.66 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 93 E 9.80 4.43 0.00 2.19 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 2.26 2.43 0.00 94 A 8.78 4.02 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 95 A 7.99 3.97 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 96 S 7.92 4.41 0.00 3.84 3.99 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 97 Q 7.87 3.20 0.00 1.71 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.62 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 98 Q 7.98 4.17 0.00 2.17 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 1.85 2.22 0.00 99 T 8.41 4.18 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 1.24 0.00 0.00 100 V 7.25 3.99 1.46 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 -0.05 0.00 0.00 0.43 0.00 0.00 101 Y 8.13 4.53 0.00 3.03 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 0.00 102 H 7.67 5.55 0.00 3.40 3.44 0.00 5.95 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.33 4.22 0.00 1.87 1.64 0.82 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.58 5.34 0.00 3.17 3.42 0.00 5.55 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 F 9.20 4.75 0.00 2.88 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 0.00 106 H 9.14 4.90 0.00 2.88 3.14 0.00 5.55 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 0.00 107 I 8.81 4.65 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.84 0.88 0.00 0.00 108 I 8.67 4.74 1.77 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.62 0.79 0.00 0.00 109 P 0.00 4.85 0.00 1.99 1.98 0.00 3.55 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.72 0.00 110 R 9.07 4.81 0.00 1.65 1.80 0.00 3.19 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 111 M 8.41 5.15 0.00 1.90 1.91 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.44 0.00 112 E 9.11 4.12 0.00 1.98 1.77 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 2.27 2.15 0.00 113 G 9.00 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 0.00 0.00 0.00 114 I 7.18 4.20 1.98 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 1.47 0.90 0.91 0.00 0.00 *123 I 8.11 4.15 1.89 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 0.49 0.93 0.00 0.00 124 T 8.47 4.01 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 1.24 0.00 0.00 125 P 0.00 4.25 0.00 2.08 2.10 0.00 3.62 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 126 T 8.87 3.93 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 1.23 0.00 0.00 127 E 8.17 4.15 0.00 2.17 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 0.00 2.38 2.36 0.00 128 I 7.70 3.76 2.05 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 1.67 0.59 0.96 0.00 0.00 129 L 7.85 4.06 0.00 1.91 1.77 1.01 0.66 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 0.00 130 E 8.71 3.96 0.00 2.10 2.17 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 2.32 2.38 0.00 131 E 8.25 3.96 0.00 2.31 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 2.36 0.00 132 N 8.36 4.47 0.00 3.09 3.20 0.00 0.00 6.91 8.21 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 0.00 133 A 8.50 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 134 K 8.21 3.88 0.00 2.03 1.87 0.00 1.68 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 1.47 1.80 7.81 135 K 7.46 3.81 0.00 1.48 1.51 0.00 1.54 0.00 0.00 1.47 0.00 0.00 2.31 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.56 7.81 136 I 7.65 3.89 2.06 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.48 0.96 0.00 0.00 137 R 8.48 3.97 0.00 1.97 2.02 0.00 3.15 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.98 0.00 138 A 8.16 4.01 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 0.00 139 A 7.57 4.22 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 0.00 140 L 7.49 4.08 0.00 1.74 1.60 1.02 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.