NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.8847 8.2033 118.3922 59.6471 30.6907 175.5899 2 D 4.1769 8.2284 120.0476 56.8418 40.6217 176.6734 3 A 4.0117 8.7385 121.0682 53.7143 19.4665 177.3085 4 F 4.7853 7.8821 113.2768 57.8461 40.6477 176.8839 5 V 3.9144 7.5386 120.3773 61.8800 31.7964 175.8925 6 G 3.9501 7.6589 114.1780 44.8204 0.0000 170.7094 7 T 4.8936 7.4770 116.1843 61.5790 70.5896 174.0009 8 W 5.3796 9.4979 127.2580 54.6082 32.3089 174.8778 9 K 5.2632 9.4011 123.7739 54.6476 35.0293 175.3086 10 L 3.7272 7.9270 123.0682 55.4981 41.8731 176.8698 11 V 4.4908 8.8081 119.0351 61.6356 34.4134 175.9614 12 S 4.6400 7.4670 113.2388 57.0407 66.2902 173.3169 13 S 4.9724 8.4204 115.6725 56.7401 65.2888 172.6852 14 E 4.4897 8.9840 126.3727 55.1321 32.8548 175.8593 15 N 4.5346 9.1105 121.2654 54.7260 37.9015 175.4292 16 F 4.4753 8.2987 121.5159 60.5285 39.3982 176.3227 17 D 4.1070 8.1504 117.0965 57.5634 41.0861 177.8255 18 D 4.3176 8.0710 118.8153 57.3242 40.8107 177.9117 19 Y 4.0237 8.0347 120.1156 61.1059 38.8126 178.2314 20 M 3.7537 7.9138 119.4316 58.0722 31.9718 178.7897 21 K 3.8338 8.0239 118.7495 59.5475 32.0224 178.9448 22 E 3.8749 7.7388 118.2444 59.2280 29.6032 178.7754 23 V 3.8197 7.2293 117.5877 64.0443 31.4724 176.7841 24 G 3.9383 7.5954 105.8320 45.2350 0.0000 173.3326 25 V 3.6639 7.5421 119.6251 62.0184 32.0890 177.0331 26 G 3.8438 8.4924 113.3623 44.0531 0.0000 173.9947 27 F 3.8419 8.9597 123.5798 61.4771 39.3817 177.7188 28 A 4.1929 8.2101 119.4205 55.4744 18.2920 179.5382 29 T 3.8293 7.8799 113.7573 66.9063 68.5385 176.8250 30 R 3.7295 8.0235 120.0943 58.8932 30.0757 179.0727 31 K 3.7023 7.7759 119.2644 59.5100 32.0502 179.1340 32 V 3.5477 7.2628 116.3254 65.8498 31.5667 177.5033 33 A 3.5401 7.8814 121.0539 54.8592 17.9038 179.8900 34 G 3.6906 8.1061 103.4871 48.0686 0.0000 175.3984 35 M 4.2006 7.6439 119.0431 56.4573 32.4766 176.8880 36 A 4.3325 7.0674 121.6582 51.9059 19.4938 177.6649 37 K 4.5468 8.1164 119.7652 53.5289 32.4541 173.9364 38 P 4.7544 0.0000 0.0000 62.8315 32.9713 177.0386 39 N 5.2062 9.1381 120.1429 53.4110 40.6523 173.5965 40 M 5.0095 9.3468 120.1040 53.9896 35.5281 173.9764 41 I 5.1026 9.0913 127.2465 59.7209 40.4138 174.4480 42 I 5.1651 8.9061 128.6581 59.5379 39.8542 175.1673 43 S 5.0679 9.0759 120.4055 56.8800 67.1497 172.8355 44 V 4.7622 8.1592 118.8226 61.2572 34.7706 174.4552 45 N 4.7307 9.1392 125.5690 52.6336 41.8707 175.0092 46 G 3.7317 8.2703 117.5995 47.1497 0.0000 172.7836 47 D 4.5829 8.8200 123.3574 52.7982 39.6458 175.0544 48 L 4.4777 7.9492 123.8996 53.9285 43.7364 175.0955 49 V 4.4252 8.1655 126.8502 61.4274 33.6890 174.4027 50 T 4.9479 8.5953 123.9407 61.7130 71.9077 172.8841 51 I 4.8961 9.0762 127.2123 59.6254 40.1911 174.3649 52 R 5.0110 9.1399 128.3750 54.4337 32.9525 174.3941 53 S 5.4254 9.1282 120.4684 55.6233 65.3924 172.2254 54 E 5.4865 8.9667 126.0145 53.8880 32.3984 175.2313 55 S 5.0396 8.4040 118.1098 57.7953 65.9158 174.7238 56 T 4.0207 8.6855 109.5247 64.7490 68.5805 175.5129 57 F 4.5301 8.1392 123.4595 60.0834 39.5944 174.2709 58 K 4.3571 8.0176 120.4140 54.8225 35.5590 174.0528 59 N 5.4577 8.5641 121.6134 51.9968 40.6023 174.0977 60 T 5.0576 9.0998 113.5219 60.1785 72.9511 172.2971 61 E 5.3347 8.5558 121.5711 54.9413 32.9412 173.9486 62 I 4.7916 8.9557 119.2273 59.2212 40.8256 174.2756 63 S 5.2213 8.5285 120.7617 56.7976 65.7038 173.1227 64 F 4.5130 8.2687 117.8706 55.9209 41.3955 172.8604 65 K 4.9440 8.3860 118.3722 54.2370 34.7936 176.2390 66 L 4.2680 8.5757 123.4342 56.4339 42.0368 177.6186 67 G 3.8989 9.5444 110.8905 45.8278 0.0000 173.2190 68 V 4.3345 7.5264 119.0520 60.1558 33.2035 174.9791 69 E 4.5197 8.9109 128.8065 56.9603 30.1911 175.6865 70 F 5.1544 8.9290 120.1643 55.3524 42.1231 172.9938 71 D 5.0871 8.8081 119.5942 53.9985 41.8116 175.7039 72 E 4.7522 8.9636 122.9032 54.5835 33.6016 173.9306 73 I 4.8747 8.3517 127.2694 59.6787 38.7469 175.8745 74 T 4.1294 8.5906 117.9317 60.6360 69.6317 175.5470 75 A 3.8780 8.5245 124.7824 55.0264 18.4340 178.0448 76 D 4.7611 8.0754 113.1788 53.2944 39.5626 175.9871 77 D 4.4779 8.1009 116.8122 55.4472 40.2494 174.0229 78 R 3.9144 7.6671 116.5002 55.2952 30.5521 175.5697 79 K 4.7755 8.3817 123.3609 55.3590 33.0062 175.5556 80 V 4.8028 8.7508 120.7436 59.4796 36.1262 174.6488 81 K 4.9220 8.9877 121.4920 54.9106 34.3116 175.9216 82 S 5.0934 8.4377 120.6580 56.6126 66.4962 173.2001 83 I 4.9340 8.3240 122.7290 59.6391 41.2023 174.3273 84 I 5.0365 8.5204 126.7353 59.6544 40.3547 174.6078 85 T 4.9358 8.9639 116.2736 59.7513 72.7762 172.5403 86 L 4.9276 8.4630 124.3250 53.6481 43.3495 175.4189 87 D 4.5274 9.0665 126.9710 53.3133 43.3896 175.2255 88 G 4.0816 9.7789 116.2452 46.6543 0.0000 173.9195 89 G 3.9119 8.5023 105.2103 45.2798 0.0000 174.0018 90 A 5.0004 7.8048 121.7909 50.3623 21.9369 176.5100 91 L 4.6351 8.1359 120.5463 53.9341 43.0361 176.0667 92 V 4.6759 8.6711 125.0554 61.0018 33.9364 173.9274 93 Q 4.9773 9.2920 129.4721 54.2082 31.8556 173.9595 94 V 4.7458 8.6254 126.3223 61.2339 34.2724 173.9509 95 Q 5.1737 9.0943 127.0533 54.1264 31.2647 174.7460 96 K 5.4721 8.8786 123.5604 54.5445 36.0895 175.2848 97 W 4.8385 9.0186 117.5405 56.4856 31.8019 174.2032 98 D 4.3360 9.8829 122.0961 55.5088 37.9332 174.6953 99 G 3.7367 8.1614 103.4508 45.7664 0.0000 173.8848 100 K 4.2542 7.3142 119.6779 54.4565 34.4337 174.9727 101 S 5.2396 7.5873 113.1397 57.6465 65.9137 173.3059 102 T 5.0194 9.2525 115.1972 60.9345 71.1698 172.3689 103 T 5.0709 8.8248 123.8194 61.8185 71.2940 173.6674 104 I 4.5618 9.2145 127.1046 59.4604 40.1335 174.2533 105 K 4.8672 9.1186 129.5859 54.5751 34.5713 174.8556 106 R 5.1184 9.0993 127.1265 54.2701 32.6010 175.1144 107 K 5.1973 9.0500 122.8983 55.1831 36.5448 175.7236 108 R 4.5740 8.5541 120.5849 55.8241 31.5818 176.1855 109 D 4.4434 8.9309 122.4002 53.1081 43.6049 175.3544 110 G 3.6951 8.3770 119.7775 47.1434 0.0000 172.6220 111 D 4.7394 8.8715 124.3075 53.4603 39.7476 176.1120 112 K 4.9677 8.0630 119.9756 55.1883 35.3282 174.8720 113 L 4.6799 8.6483 124.1216 53.3656 44.1843 175.1132 114 V 4.4580 8.9264 127.5317 61.3987 33.5441 174.4553 115 V 4.7102 9.3024 128.9012 61.5085 33.6751 174.5102 116 E 5.3939 8.8966 127.6592 53.6518 33.4072 174.9300 *118 V 4.4871 7.9897 118.8081 63.4132 33.1587 174.0630 119 M 4.8597 9.1786 126.6563 54.7995 34.9385 175.1200 120 K 3.7312 9.8616 128.0207 57.6638 29.6290 175.4427 121 G 3.8838 7.9384 102.3983 45.9086 0.0000 172.4295 122 V 4.2628 7.8366 120.6427 61.2653 32.6700 174.7146 123 T 4.8279 8.4985 123.3892 61.7497 70.8613 173.0125 124 S 5.0051 8.3943 120.6871 57.0334 64.9513 172.5573 125 T 4.9397 8.8871 123.0402 61.8558 71.5297 173.0856 126 R 4.9400 9.2968 125.6112 54.2365 33.7580 174.6530 127 V 4.9106 8.3594 123.3770 61.3706 34.3497 173.9469 128 Y 5.4973 9.2461 124.2108 56.2042 42.3085 174.1622 129 E 5.4508 9.1844 118.7184 54.2653 33.5722 175.3270 130 R 3.8798 8.5679 119.2874 56.0542 30.8773 176.7148 131 A 4.2063 8.6676 124.2032 52.2483 18.0252 177.3443 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 C 8.20 4.88 0.00 3.07 3.14 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 2 D 8.23 4.18 0.00 2.80 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 3 A 8.74 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 F 7.88 4.79 0.00 3.25 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 5 V 7.54 3.91 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 0.80 0.00 0.00 1.03 0.00 0.00 6 G 7.66 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 7 T 7.48 4.89 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 1.21 0.00 0.00 8 W 9.50 5.38 0.00 3.17 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 9 K 9.40 5.26 0.00 1.81 2.10 0.00 1.34 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.52 7.81 10 L 7.93 3.73 0.00 1.55 1.44 0.20 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.81 4.49 2.06 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 0.83 0.00 0.00 0.95 0.00 0.00 12 S 7.47 4.64 0.00 3.79 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 13 S 8.42 4.97 0.00 3.59 3.60 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 14 E 8.98 4.49 0.00 1.89 1.80 0.00 0.00 0.00 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 2.19 0.00 15 N 9.11 4.53 0.00 3.01 3.11 0.00 0.00 6.83 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 16 F 8.30 4.48 0.00 3.06 3.06 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 17 D 8.15 4.11 0.00 2.78 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.07 4.32 0.00 2.95 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 19 Y 8.03 4.02 0.00 3.13 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 20 M 7.91 3.75 0.00 1.84 1.88 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.25 0.00 21 K 8.02 3.83 0.00 1.94 1.82 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.40 1.55 7.81 22 E 7.74 3.87 0.00 2.03 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 0.00 2.51 2.31 0.00 23 V 7.23 3.82 1.94 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 0.73 0.00 0.00 0.27 0.00 0.00 24 G 7.60 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 25 V 7.54 3.66 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 0.69 0.00 0.00 0.92 0.00 0.00 26 G 8.49 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 0.00 0.00 0.00 27 F 8.96 3.84 0.00 3.18 3.07 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 28 A 8.21 4.19 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 29 T 7.88 3.83 4.38 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 1.28 0.00 0.00 30 R 8.02 3.73 0.00 1.69 1.86 0.00 3.05 0.00 0.00 3.05 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.79 0.00 31 K 7.78 3.70 0.00 1.58 1.91 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.39 7.81 32 V 7.26 3.55 2.06 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 1.06 0.00 0.00 1.02 0.00 0.00 33 A 7.88 3.54 0.68 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 34 G 8.11 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 0.00 0.00 0.00 35 M 7.64 4.20 0.00 2.04 2.26 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 2.81 2.54 0.00 36 A 7.07 4.33 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 37 K 8.12 4.55 0.00 1.71 1.69 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.36 7.81 38 P 0.00 4.75 0.00 2.24 2.29 0.00 3.63 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 2.15 2.06 0.00 39 N 9.14 5.21 0.00 2.75 2.88 0.00 0.00 6.28 7.22 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 40 M 9.35 5.01 0.00 1.61 1.49 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 41 I 9.09 5.10 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.72 0.93 0.00 0.00 42 I 8.91 5.17 2.32 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 1.34 0.85 1.01 0.00 0.00 43 S 9.08 5.07 0.00 3.81 3.90 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 V 8.16 4.76 2.06 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 0.82 0.00 0.00 0.91 0.00 0.00 45 N 9.14 4.73 0.00 2.63 2.55 0.00 0.00 7.06 7.93 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 46 G 8.27 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 47 D 8.82 4.58 0.00 2.76 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 48 L 7.95 4.48 0.00 1.69 1.51 0.82 0.62 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 49 V 8.17 4.43 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 0.80 0.00 0.00 0.69 0.00 0.00 50 T 8.60 4.95 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 1.28 0.00 0.00 51 I 9.08 4.90 2.01 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.93 0.93 0.00 0.00 52 R 9.14 5.01 0.00 1.86 1.87 0.00 3.17 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 53 S 9.13 5.43 0.00 3.91 3.71 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 54 E 8.97 5.49 0.00 1.96 1.83 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 2.41 2.13 0.00 55 S 8.40 5.04 0.00 3.93 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 56 T 8.69 4.02 4.31 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 1.25 0.00 0.00 57 F 8.14 4.53 0.00 2.96 3.18 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 0.00 0.00 0.00 58 K 8.02 4.36 0.00 0.79 1.23 0.00 1.19 0.00 0.00 1.24 0.00 0.00 2.86 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.12 1.26 7.81 59 N 8.56 5.46 0.00 2.65 2.70 0.00 0.00 6.46 7.05 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 60 T 9.10 5.06 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 1.17 0.00 0.00 61 E 8.56 5.33 0.00 1.96 1.81 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 2.21 2.32 0.00 62 I 8.96 4.79 2.12 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.44 1.13 0.00 0.00 63 S 8.53 5.22 0.00 3.65 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 64 F 8.27 4.51 0.00 2.40 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 65 K 8.39 4.94 0.00 1.75 1.75 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.57 1.40 7.81 66 L 8.58 4.27 0.00 1.69 1.68 0.97 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 67 G 9.54 3.90 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 0.00 0.00 0.00 68 V 7.53 4.33 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 0.88 0.00 0.00 0.98 0.00 0.00 69 E 8.91 4.52 0.00 2.04 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 0.00 2.27 2.27 0.00 70 F 8.93 5.15 0.00 3.09 3.07 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 71 D 8.81 5.09 0.00 2.66 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 72 E 8.96 4.75 0.00 1.95 1.57 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 2.18 2.35 0.00 73 I 8.35 4.87 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 1.41 1.01 0.88 0.00 0.00 74 T 8.59 4.13 4.16 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 0.00 0.00 1.02 0.00 0.00 75 A 8.52 3.88 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 8.08 4.76 0.00 2.81 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 77 D 8.10 4.48 0.00 2.83 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.67 3.91 0.00 1.50 1.25 0.00 2.21 0.00 0.00 2.62 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.39 0.00 79 K 8.38 4.78 0.00 1.75 1.75 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.45 7.81 80 V 8.75 4.80 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 0.34 0.00 0.00 0.81 0.00 0.00 81 K 8.99 4.92 0.00 1.62 1.72 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.39 7.81 82 S 8.44 5.09 0.00 2.72 3.14 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 83 I 8.32 4.93 1.84 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 1.23 0.65 0.93 0.00 0.00 84 I 8.52 5.04 1.50 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.72 0.84 0.00 0.00 85 T 8.96 4.94 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 86 L 8.46 4.93 0.00 1.69 1.66 1.09 1.16 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 87 D 9.07 4.53 0.00 2.66 2.45 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 88 G 9.78 4.08 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 0.00 0.00 0.00 89 G 8.50 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 90 A 7.80 5.00 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 91 L 8.14 4.64 0.00 1.10 1.35 0.42 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.67 4.68 2.06 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 1.01 0.00 0.00 0.91 0.00 0.00 93 Q 9.29 4.98 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.15 2.11 0.00 94 V 8.63 4.75 2.06 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 0.93 0.00 0.00 0.92 0.00 0.00 95 Q 9.09 5.17 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.52 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 96 K 8.88 5.47 0.00 1.67 1.66 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.36 7.81 97 W 9.02 4.84 0.00 3.48 3.16 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 0.00 0.00 0.00 98 D 9.88 4.34 0.00 2.53 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 99 G 8.16 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 0.00 0.00 0.00 100 K 7.31 4.25 0.00 0.79 0.85 0.00 0.79 0.00 0.00 1.37 0.00 0.00 2.84 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.98 1.01 7.81 101 S 7.59 5.24 0.00 3.92 3.71 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 0.00 102 T 9.25 5.02 4.57 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 1.46 0.00 0.00 103 T 8.82 5.07 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 1.25 0.00 0.00 104 I 9.21 4.56 1.83 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.77 0.85 0.00 0.00 105 K 9.12 4.87 0.00 1.74 1.62 0.00 1.58 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.36 7.81 106 R 9.10 5.12 0.00 1.38 1.60 0.00 2.92 0.00 0.00 3.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.39 0.00 107 K 9.05 5.20 0.00 1.82 1.90 0.00 1.32 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.41 7.81 108 R 8.55 4.57 0.00 1.58 1.80 0.00 3.06 0.00 0.00 3.01 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.19 0.00 109 D 8.93 4.44 0.00 2.68 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.38 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 0.00 0.00 0.00 111 D 8.87 4.74 0.00 2.84 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 0.00 112 K 8.06 4.97 0.00 1.89 1.89 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.55 7.81 113 L 8.65 4.68 0.00 0.27 0.77 0.83 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.93 4.46 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 0.94 0.00 0.00 0.93 0.00 0.00 115 V 9.30 4.71 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 0.79 0.00 0.00 0.88 0.00 0.00 116 E 8.90 5.39 0.00 1.89 1.82 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 2.21 2.04 0.00 *118 V 7.99 4.49 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 1.00 0.00 0.00 0.95 0.00 0.00 119 M 9.18 4.86 0.00 1.94 1.82 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 120 K 9.86 3.73 0.00 1.85 1.77 0.00 1.87 0.00 0.00 1.67 0.00 0.00 2.75 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.38 7.81 121 G 7.94 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 0.00 0.00 0.00 122 V 7.84 4.26 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 1.17 0.00 0.00 0.99 0.00 0.00 123 T 8.50 4.83 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 1.21 0.00 0.00 124 S 8.39 5.01 0.00 4.15 3.41 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 0.00 125 T 8.89 4.94 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 1.20 0.00 0.00 126 R 9.30 4.94 0.00 1.62 1.54 0.00 2.50 0.00 0.00 2.89 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.34 0.00 127 V 8.36 4.91 2.03 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 1.00 0.00 0.00 0.92 0.00 0.00 128 Y 9.25 5.50 0.00 2.95 3.14 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 0.00 129 E 9.18 5.45 0.00 2.11 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 2.26 2.30 0.00 130 R 8.57 3.88 0.00 1.47 1.53 0.00 2.95 0.00 0.00 2.84 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.78 0.00 131 A 8.67 4.21 1.16 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 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.