NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.5105 8.3349 115.4298 58.1118 64.7294 173.2735 0 M 3.8106 8.3085 118.7718 57.6448 31.9011 175.4293 *6 G 3.8286 8.4768 106.6150 45.5491 0.0000 171.8296 7 I 3.8147 8.0954 120.9370 61.5635 37.6610 175.4314 8 H 5.1475 8.6086 122.7821 53.6440 32.1379 173.4447 9 A 4.6941 8.5200 123.0950 51.7592 19.0878 177.9718 10 T 4.0388 8.4522 112.5165 61.3170 69.7006 175.4773 11 E 3.9820 8.6541 121.8844 59.4604 29.2912 179.5281 12 E 3.9324 8.0534 118.3828 59.2034 29.5179 178.8888 13 L 3.7254 7.8263 120.2760 57.9897 42.1881 178.9928 14 K 3.7397 7.7807 118.3665 59.5052 32.0164 178.8454 15 E 3.9249 8.4202 119.6923 59.2315 29.5786 178.6227 16 F 4.0450 8.4910 120.9647 61.1197 39.4580 176.7247 17 F 4.4895 8.4593 117.6711 61.0324 38.5718 177.5797 18 A 3.9453 7.7490 118.3145 54.9664 18.4634 179.2515 19 K 3.9207 7.9537 117.8077 59.6033 32.3937 178.8237 20 A 3.9346 8.0400 121.3008 55.3461 18.0799 179.7744 21 R 4.4263 8.0215 114.8026 58.8462 30.1799 178.6973 22 A 4.2826 7.6893 120.3995 53.6174 18.9185 176.5779 23 G 3.9148 8.7921 102.4213 44.3926 0.0000 174.4407 24 S 3.7305 8.7465 112.6618 58.6843 60.2252 170.7755 25 V 4.7483 7.2027 119.1146 61.1941 33.7398 175.0242 26 R 3.8943 9.1968 128.5672 58.0417 31.5447 175.9208 27 L 5.3757 7.7984 119.4259 53.3840 46.1591 174.9719 28 I 5.1149 9.1170 126.2994 59.4638 40.6028 174.0971 29 K 5.0297 9.2104 129.1664 54.8276 34.1728 174.8055 30 V 5.0023 9.0715 128.0723 61.4957 33.9393 174.8528 31 V 5.1764 8.7847 119.4883 59.9655 36.7052 174.0591 32 I 4.8583 8.8179 123.2012 59.7718 38.6763 175.4290 33 E 4.4899 9.0918 127.7955 55.6320 32.4969 175.1272 34 D 4.1927 9.7030 126.6696 55.8771 38.4354 173.0587 35 E 3.8519 8.1937 109.0668 57.4260 27.6549 174.9292 36 Q 4.7696 7.8473 115.2917 54.0984 33.9103 174.4569 37 L 4.8432 8.9194 122.9387 54.5999 43.0748 176.5970 38 V 4.7345 8.8898 116.4976 59.1072 36.8822 174.3904 39 L 4.1977 8.3890 124.1935 55.0577 41.5494 176.5969 40 G 3.9093 9.1477 115.2807 48.9971 0.0000 173.0747 41 A 4.7919 7.6892 119.2479 51.2422 22.4580 175.3832 42 S 5.2256 8.3911 112.6027 57.5586 65.9625 173.4709 43 Q 4.6935 8.9458 118.9922 54.5274 33.2207 174.5007 44 E 4.5326 8.6769 121.5926 54.3862 30.7892 174.9953 45 P 4.4765 0.0000 0.0000 62.9550 32.0769 175.4911 46 V 4.2681 9.1060 119.0428 63.9591 34.0607 175.8232 47 G 4.2214 8.5705 111.1310 44.6938 0.0000 173.3629 48 R 4.3625 8.9272 122.6472 55.2602 31.9232 177.1942 49 W 4.4312 9.4471 119.6316 60.2840 27.6547 178.0471 50 D 3.4330 6.3998 119.1585 55.6573 38.5837 178.4420 51 Q 3.7629 7.4720 118.1966 58.6912 29.1099 177.8263 52 D 4.5284 8.3939 119.4278 56.8349 40.7966 177.4508 53 Y 3.9787 7.5067 121.5453 60.3490 38.6945 177.7591 54 D 4.5209 8.0620 119.1585 57.3797 41.0138 179.0102 55 R 3.9753 7.9384 114.9097 58.7094 29.5711 178.4999 56 A 4.3572 7.6690 122.4114 54.3665 19.1149 179.5221 57 V 3.5268 7.8722 116.9168 66.1100 31.6101 178.2336 58 L 3.8125 7.7514 118.6614 57.3432 41.2946 177.8440 59 P 4.3155 0.0000 0.0000 64.5742 31.3744 177.5488 60 L 4.4968 7.3806 115.6535 53.7735 41.9112 176.3060 61 L 3.8393 6.8794 120.1615 52.8714 41.9264 175.7532 62 D 4.5870 8.5118 124.0123 53.2349 41.9791 177.0938 63 A 4.4376 8.7734 129.1049 54.7794 18.6662 178.0603 64 Q 4.5819 9.3129 112.9357 55.6574 29.7199 174.2701 65 Q 4.4118 7.7542 115.1705 53.8898 32.2675 173.5450 66 P 4.3839 0.0000 0.0000 63.0004 32.4828 174.6687 67 C 4.3678 8.3166 115.2774 57.9575 33.5251 171.8719 68 Y 5.3249 8.6735 115.5609 56.2587 41.4115 175.1258 69 L 5.1360 9.0546 122.5860 53.0108 45.5276 175.4088 70 L 5.1415 9.2118 124.0132 53.5080 43.5333 174.7342 71 Y 4.9333 9.2455 126.5729 55.6260 41.1736 174.3564 72 R 3.4388 7.8966 128.2145 55.2382 30.8070 176.3284 73 L 4.2685 8.0878 126.9495 54.4906 42.6427 176.4485 74 D 4.6608 8.4176 118.2030 55.3800 41.7696 177.6655 75 S 4.4931 7.6860 114.0096 57.8499 64.0595 172.9330 76 Q 4.9136 8.2120 119.8654 54.1313 32.1411 175.5515 77 N 4.7125 8.5857 119.6779 51.6642 39.6531 175.2394 78 A 4.3313 8.4863 119.9929 53.6395 18.4751 177.8183 79 Q 4.5596 8.6586 114.5320 56.2272 29.4980 174.4308 80 G 3.7282 7.8851 104.9856 44.7999 0.0000 173.9070 81 F 4.6075 8.5696 117.5071 58.1134 39.5912 174.4547 82 E 4.9783 8.7824 123.5924 55.3520 31.3015 175.4050 83 W 5.3180 9.3139 122.4415 54.9656 33.4986 174.2581 84 L 5.1021 9.2744 122.7273 53.5469 43.6767 175.5950 85 F 5.3393 9.4018 126.3518 56.8893 41.0504 173.9968 86 L 5.0667 9.0976 127.7404 53.1125 43.6712 175.5592 87 A 4.8768 9.0324 127.0880 50.1116 21.1332 175.0917 88 W 5.1254 9.0128 133.6134 55.9882 33.0622 175.3746 89 S 4.6985 7.8801 122.0290 56.2923 62.9526 171.4069 90 P 4.2332 0.0000 0.0000 60.9053 32.1875 178.2209 91 D 4.3028 8.3385 120.0457 57.5746 40.8614 177.7799 92 N 4.4624 7.8974 114.7009 55.0641 38.8055 175.6202 93 S 4.5078 7.5051 114.3493 56.9663 63.6583 173.0285 94 P 4.3161 0.0000 0.0000 62.8028 32.7913 177.9255 95 V 3.6163 8.4676 121.9019 65.1701 31.1171 178.5539 96 R 3.8750 7.9972 118.6547 59.2070 29.8308 178.3665 97 L 4.1310 7.8751 118.1489 57.7105 41.6760 179.2516 98 K 3.9039 8.1390 118.4785 59.9286 32.0480 179.0708 99 M 4.0560 8.3733 118.4609 58.2076 31.9125 177.8893 100 L 3.9224 8.0194 120.6713 58.5634 42.1636 178.7204 101 Y 4.2020 8.7474 117.9141 60.3619 37.5369 178.2905 102 A 4.0733 8.2476 120.7854 55.3031 18.6492 179.4075 103 A 4.1052 8.5812 118.0500 54.7598 18.6715 178.9191 104 T 4.3693 7.5819 112.4831 63.5646 69.4732 176.4901 105 R 3.8651 7.9118 121.7263 59.7896 29.9976 177.9316 106 A 4.0407 8.1016 119.5669 55.4595 18.2607 179.5110 107 T 3.7679 7.8277 113.6777 66.6944 68.5935 176.5983 108 V 3.5264 7.3579 119.6839 65.8857 31.3891 177.8403 109 K 3.2697 7.3598 118.5570 59.1434 31.7519 178.3523 110 K 3.7882 7.9093 118.6941 59.7868 32.1614 178.2067 111 E 4.1520 8.1433 117.4370 59.3518 29.4664 178.8419 112 F 4.0021 7.9292 119.9846 59.8216 39.7720 175.3484 113 G 3.9392 8.3957 109.7041 45.4081 0.0000 174.2786 114 G 3.6777 8.8718 116.4619 48.0178 0.0000 174.4868 115 G 3.6186 7.9281 107.2950 47.8585 0.0000 173.5813 116 H 4.7840 8.2327 116.2137 55.7526 29.3217 174.3195 117 I 4.9516 7.4837 121.7180 59.5620 37.9267 175.4034 118 K 4.2954 9.2495 128.8493 59.2526 32.7557 176.2174 119 D 4.9066 7.9152 116.8691 53.2784 44.9649 173.7640 120 E 5.4088 8.8146 120.9240 54.7242 32.9534 175.1903 121 L 5.0645 9.0167 122.8484 52.9758 46.4936 175.1750 122 F 5.5828 8.9298 122.1517 56.6902 42.6833 174.1455 123 G 4.2217 8.6104 111.1163 44.8502 0.0000 173.0543 124 T 4.0174 8.8741 110.8248 60.6988 70.7959 174.4738 125 V 4.8222 7.5656 114.9921 59.0630 35.3270 176.3719 126 K 3.6668 9.0571 122.3782 59.7056 32.2389 178.6446 127 D 4.4048 8.3601 117.7208 57.4402 40.9531 177.9090 128 D 4.3967 8.4595 118.9499 56.9130 40.8560 177.7548 129 L 4.7547 7.7562 115.8494 53.6029 42.6155 177.2380 130 S 4.6347 7.2420 115.6746 57.8075 64.9351 174.6872 131 F 3.2227 9.6181 124.0557 61.2662 38.7865 176.9015 132 A 3.9009 8.1411 119.7945 55.1227 17.9067 179.5838 133 G 3.6496 7.5903 104.0950 47.5853 0.0000 174.8614 134 Y 4.4319 8.1131 122.6898 60.5712 38.5683 178.2868 135 Q 3.6394 7.7111 117.8827 58.2035 28.7706 178.1217 136 K 4.1452 7.3497 117.6856 57.7003 32.4313 176.3221 137 H 4.3190 7.6972 123.6086 56.3310 29.7629 174.5812 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 -1 S 8.33 4.51 0.00 4.02 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 M 8.31 3.81 0.00 2.14 2.15 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 2.69 2.54 0.00 *6 G 8.48 3.83 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 0.00 0.00 0.00 7 I 8.10 3.81 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.78 0.92 0.00 0.00 8 H 8.61 5.15 0.00 3.05 3.13 0.00 5.62 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 9 A 8.52 4.69 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 10 T 8.45 4.04 4.36 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 1.25 0.00 0.00 11 E 8.65 3.98 0.00 1.98 2.02 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 2.38 2.33 0.00 12 E 8.05 3.93 0.00 2.01 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 2.39 2.42 0.00 13 L 7.83 3.73 0.00 1.59 1.56 0.65 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.78 3.74 0.00 1.97 1.85 0.00 1.83 0.00 0.00 1.57 0.00 0.00 3.11 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.49 1.55 7.81 15 E 8.42 3.92 0.00 2.20 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 2.33 2.38 0.00 16 F 8.49 4.05 0.00 3.25 3.15 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 0.00 17 F 8.46 4.49 0.00 3.24 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 18 A 7.75 3.95 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 19 K 7.95 3.92 0.00 1.74 1.58 0.00 1.67 0.00 0.00 1.56 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.23 1.39 7.81 20 A 8.04 3.93 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 21 R 8.02 4.43 0.00 1.91 2.04 0.00 2.60 0.00 0.00 2.25 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.51 0.00 22 A 7.69 4.28 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 23 G 8.79 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 24 S 8.75 3.73 0.00 4.08 4.01 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 25 V 7.20 4.75 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 1.07 0.00 0.00 0.99 0.00 0.00 26 R 9.20 3.89 0.00 1.84 1.93 0.00 2.43 0.00 0.00 2.54 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.23 0.00 27 L 7.80 5.38 0.00 1.78 1.48 1.04 1.11 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 28 I 9.12 5.11 1.95 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.68 1.25 0.00 0.00 29 K 9.21 5.03 0.00 1.84 1.78 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.41 7.81 30 V 9.07 5.00 2.52 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 1.21 0.00 0.00 1.25 0.00 0.00 31 V 8.78 5.18 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 0.81 0.00 0.00 1.00 0.00 0.00 32 I 8.82 4.86 1.56 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.28 0.87 0.00 0.00 33 E 9.09 4.49 0.00 1.94 1.75 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 2.19 2.26 0.00 34 D 9.70 4.19 0.00 2.80 2.67 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 0.00 0.00 0.00 35 E 8.19 3.85 0.00 2.10 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 2.20 2.30 0.00 36 Q 7.85 4.77 0.00 2.05 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.66 6.97 0.00 0.00 0.00 0.00 0.00 2.26 2.53 0.00 37 L 8.92 4.84 0.00 1.59 1.65 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.89 4.73 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 0.67 0.00 0.00 0.99 0.00 0.00 39 L 8.39 4.20 0.00 1.40 1.39 0.70 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 40 G 9.15 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 41 A 7.69 4.79 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 42 S 8.39 5.23 0.00 4.12 3.69 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 43 Q 8.95 4.69 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.95 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 44 E 8.68 4.53 0.00 1.86 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 0.00 2.50 2.22 0.00 45 P 0.00 4.48 0.00 1.97 1.87 0.00 3.57 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.87 0.00 46 V 9.11 4.27 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 0.77 0.00 0.00 0.97 0.00 0.00 47 G 8.57 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 0.00 0.00 0.00 0.00 48 R 8.93 4.36 0.00 1.82 1.93 0.00 3.18 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 49 W 9.45 4.43 0.00 3.75 3.44 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 50 D 6.40 3.43 0.00 1.71 1.54 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 51 Q 7.47 3.76 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.14 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 52 D 8.39 4.53 0.00 2.85 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 53 Y 7.51 3.98 0.00 3.23 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 54 D 8.06 4.52 0.00 2.74 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 55 R 7.94 3.98 0.00 1.94 2.05 0.00 3.17 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.69 0.00 56 A 7.67 4.36 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.87 3.53 1.89 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 0.87 0.00 0.00 0.12 0.00 0.00 58 L 7.75 3.81 0.00 1.79 1.61 0.96 1.06 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 59 P 0.00 4.32 0.00 1.97 2.07 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.13 0.00 60 L 7.38 4.50 0.00 1.70 1.62 0.96 0.73 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 61 L 6.88 3.84 0.00 1.04 0.13 0.03 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.51 4.59 0.00 2.71 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 63 A 8.77 4.44 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 64 Q 9.31 4.58 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 65 Q 7.75 4.41 0.00 2.08 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.13 6.97 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 66 P 0.00 4.38 0.00 0.49 1.60 0.00 3.25 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 67 C 8.32 4.37 0.00 3.14 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 68 Y 8.67 5.32 0.00 3.15 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 69 L 9.05 5.14 0.00 1.58 1.60 0.80 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 70 L 9.21 5.14 0.00 1.25 0.98 -0.36 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 9.25 4.93 0.00 3.02 2.81 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 72 R 7.90 3.44 0.00 0.67 0.88 0.00 2.21 0.00 0.00 2.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.50 0.00 73 L 8.09 4.27 0.00 1.45 1.18 0.77 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.42 4.66 0.00 2.87 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 75 S 7.69 4.49 0.00 4.02 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 76 Q 8.21 4.91 0.00 1.85 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.91 0.00 0.00 0.00 0.00 0.00 1.45 2.01 0.00 77 N 8.59 4.71 0.00 2.96 3.18 0.00 0.00 6.63 7.62 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 78 A 8.49 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 79 Q 8.66 4.56 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.82 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 80 G 7.89 3.73 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 0.00 0.00 0.00 81 F 8.57 4.61 0.00 3.14 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.78 4.98 0.00 1.92 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 2.35 2.32 0.00 83 W 9.31 5.32 0.00 3.38 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 84 L 9.27 5.10 0.00 1.65 1.58 0.29 0.87 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 85 F 9.40 5.34 0.00 2.98 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 86 L 9.10 5.07 0.00 1.58 1.58 0.79 0.77 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 87 A 9.03 4.88 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 88 W 9.01 5.13 0.00 3.23 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 89 S 7.88 4.70 0.00 3.93 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 90 P 0.00 4.23 0.00 2.07 1.33 0.00 3.25 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.84 0.00 91 D 8.34 4.30 0.00 2.61 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 92 N 7.90 4.46 0.00 2.87 2.85 0.00 0.00 6.93 7.57 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 93 S 7.51 4.51 0.00 3.79 3.70 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 94 P 0.00 4.32 0.00 2.16 1.98 0.00 3.59 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 95 V 8.47 3.62 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 0.78 0.00 0.00 0.93 0.00 0.00 96 R 8.00 3.88 0.00 2.00 1.99 0.00 3.29 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.30 0.00 97 L 7.88 4.13 0.00 1.93 1.77 0.95 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.14 3.90 0.00 2.00 1.87 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.82 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.39 1.53 7.81 99 M 8.37 4.06 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 100 L 8.02 3.92 0.00 1.93 1.96 0.86 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 8.75 4.20 0.00 3.15 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 0.00 102 A 8.25 4.07 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.58 4.11 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 0.00 104 T 7.58 4.37 4.36 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 1.21 0.00 0.00 105 R 7.91 3.87 0.00 2.23 2.09 0.00 3.21 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 106 A 8.10 4.04 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 0.00 107 T 7.83 3.77 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 1.23 0.00 0.00 108 V 7.36 3.53 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 0.88 0.00 0.00 0.39 0.00 0.00 109 K 7.36 3.27 0.00 1.27 1.73 0.00 1.79 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.27 1.12 7.81 110 K 7.91 3.79 0.00 1.76 2.01 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.52 7.81 111 E 8.14 4.15 0.00 2.32 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 0.00 2.59 2.54 0.00 112 F 7.93 4.00 0.00 2.13 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 0.00 113 G 8.40 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 0.00 0.00 0.00 114 G 8.87 3.68 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 0.00 0.00 0.00 115 G 7.93 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 0.00 116 H 8.23 4.78 0.00 3.34 3.55 0.00 5.59 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 0.00 117 I 7.48 4.95 2.10 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.78 1.10 0.00 0.00 118 K 9.25 4.30 0.00 1.80 1.90 0.00 1.99 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.44 7.81 119 D 7.92 4.91 0.00 2.88 2.59 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 0.00 120 E 8.81 5.41 0.00 1.98 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 2.59 2.50 0.00 121 L 9.02 5.06 0.00 1.65 1.58 0.99 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 0.00 122 F 8.93 5.58 0.00 2.91 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 0.00 123 G 8.61 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 0.00 0.00 0.00 0.00 124 T 8.87 4.02 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 0.91 0.00 0.00 125 V 7.57 4.82 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 0.76 0.00 0.00 1.00 0.00 0.00 126 K 9.06 3.67 0.00 1.80 1.76 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.07 1.46 7.81 127 D 8.36 4.40 0.00 2.77 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 0.00 128 D 8.46 4.40 0.00 2.97 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 0.00 129 L 7.76 4.75 0.00 1.56 1.70 1.08 0.86 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 0.00 130 S 7.24 4.63 0.00 4.18 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 0.00 131 F 9.62 3.22 0.00 2.78 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 0.00 132 A 8.14 3.90 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 0.00 133 G 7.59 3.65 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 0.00 0.00 0.00 134 Y 8.11 4.43 0.00 2.92 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 0.00 135 Q 7.71 3.64 0.00 1.82 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.70 0.00 0.00 0.00 0.00 0.00 1.40 1.61 0.00 136 K 7.35 4.15 0.00 1.79 1.82 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.54 7.81 137 H 7.70 4.32 0.00 3.28 3.31 0.00 5.98 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 * Residues marked with a * may have inaccurate shift predictions.