NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.4242 8.1133 119.6614 55.3798 33.3352 174.6566 3 Q 5.0281 8.1355 117.4563 53.6289 31.0044 174.0761 4 R 4.6648 9.5483 123.6690 54.8766 35.0163 173.7732 5 T 4.8640 8.5792 120.1159 62.2043 70.7932 173.5187 6 I 4.9433 9.1032 127.4145 59.6015 40.4795 174.8216 7 V 5.1211 8.9579 120.4621 60.0494 34.1250 174.7673 8 C 5.4461 9.6957 122.1170 56.2864 32.2171 171.0158 9 P 5.2678 0.0000 0.0000 61.3201 32.9735 174.9559 10 L 4.5027 9.2323 127.3936 53.9379 42.7700 174.3899 11 I 4.9643 8.1721 127.5406 59.8950 39.1245 174.9428 12 Q 5.1563 9.1433 124.5440 54.5720 32.5342 173.9823 13 N 4.8293 9.1248 119.0523 52.7486 42.5024 173.9843 14 D 4.4169 9.6541 127.0690 55.2746 39.6336 173.9680 15 G 3.9521 8.1428 106.0658 45.1930 0.0000 172.6483 16 C 5.1173 7.7759 116.9561 58.3135 31.5021 172.3534 17 Y 5.1127 9.0942 119.0439 56.1836 40.4996 174.7401 18 L 4.0641 8.4006 125.8364 54.3178 42.8834 175.8765 19 L 4.8199 8.6240 125.9426 53.0487 45.4113 175.1732 20 C 4.9243 8.6415 119.2872 57.6250 31.9358 172.9107 21 K 3.8987 8.0924 125.0447 54.9573 32.8280 175.7784 22 M 4.7813 8.9220 128.2974 55.7346 32.3899 177.4920 23 A 4.0738 8.6133 125.2261 54.2930 19.5236 177.1415 24 D 4.2603 7.9055 113.9340 57.8325 40.3058 173.5953 25 N 4.8265 7.5910 119.8908 51.1179 39.0803 174.0771 26 R 4.6599 7.8752 117.3919 55.1687 33.5710 175.1450 27 G 4.1710 8.5210 105.3696 46.7792 0.0000 175.2152 28 V 3.6190 8.2842 113.1653 63.2440 31.9683 176.2005 29 F 4.2906 7.5348 118.1953 56.2741 38.3144 173.7023 30 P 4.4926 0.0000 0.0000 61.9563 31.9075 176.7782 31 G 3.8359 8.2672 108.4243 46.0199 0.0000 173.5343 32 Q 4.7543 8.6433 122.6454 54.9517 31.1955 174.5127 33 W 5.1682 9.3808 120.4139 56.0386 31.3924 175.7402 34 A 5.3974 9.0505 123.9648 51.7115 22.9014 174.9173 35 L 4.7546 8.2874 118.5755 53.5221 43.2448 177.4098 36 S 4.8366 8.6543 116.5468 58.9260 63.9307 173.1935 37 G 4.2575 8.9981 112.0046 44.9727 0.0000 172.2948 38 G 4.3733 9.2623 111.8920 44.1757 0.0000 172.3582 39 G 4.3371 8.6519 108.5853 44.5978 0.0000 172.8862 40 V 4.6501 8.0365 119.3656 60.8333 33.5272 175.3313 41 E 4.2569 9.5341 128.0965 55.0437 30.1931 174.6808 42 P 4.4033 0.0000 0.0000 64.4546 31.6596 177.2885 43 G 3.9096 8.8877 110.2123 45.4551 0.0000 172.6140 44 E 4.4104 7.9064 120.8096 54.7486 30.7850 176.7428 45 R 4.2046 8.3429 124.9914 55.7350 32.2624 177.7935 46 I 3.7425 8.3985 116.3164 64.4894 37.4252 178.1941 47 E 3.7052 8.2058 120.5454 58.6419 29.4434 178.1718 48 E 3.8625 8.1601 118.8920 59.1680 29.7119 178.4472 49 A 4.0879 8.2922 121.1379 54.9738 18.4054 179.4301 50 L 3.7743 7.7154 118.8344 58.4207 42.0827 179.4691 51 R 3.8849 8.1553 118.3654 59.0386 29.8894 179.0846 52 R 3.8253 8.2488 118.9062 59.3036 30.0431 178.0446 53 E 3.9022 8.3102 119.2474 59.4165 29.5330 178.8543 54 I 3.6907 7.7990 119.5783 64.5082 37.0681 178.5831 55 R 4.0832 8.1874 119.0226 59.3907 29.6757 179.0612 56 E 3.9475 8.4518 117.4809 59.0272 29.8396 178.4453 57 E 4.5347 8.5563 117.0348 56.4481 30.6565 177.1902 58 L 4.6473 8.6389 117.6280 52.9730 43.1502 177.0412 59 G 4.6704 7.3570 105.4331 46.6112 0.0000 174.5625 60 E 4.1947 8.4218 119.6201 57.8951 30.1109 178.3332 61 Q 4.0567 7.9398 117.0541 57.9713 29.2666 175.5872 62 L 4.3650 7.4296 120.3825 55.0652 42.3260 175.6271 63 I 4.4140 8.9523 127.8368 59.8648 39.2197 174.6810 64 L 4.9930 8.4307 127.1686 53.4721 42.1637 176.7834 65 S 4.4283 9.1410 119.9747 60.3322 64.0852 173.9969 66 D 4.7184 7.6698 118.4521 53.3137 44.5267 174.0411 67 I 5.1005 8.3560 124.8607 60.0803 40.8934 174.7885 68 T 4.8108 9.3492 123.5317 61.0097 72.5497 171.8402 69 P 3.8041 0.0000 0.0000 63.3755 31.4701 174.2689 70 W 4.7880 9.0465 132.2546 58.1088 32.0162 177.0491 71 T 4.4797 7.0389 111.8078 60.9428 71.1710 171.6042 72 F 5.7861 7.5780 116.5443 54.8885 41.6362 173.2132 73 R 4.6188 8.1636 114.3923 55.9048 32.3102 172.5381 74 D 5.0001 8.3362 117.7411 52.0472 42.8440 173.7530 75 D 4.5253 7.6969 117.4362 53.7705 45.2900 173.5428 76 I 5.2491 8.1251 120.1788 59.7743 40.5840 175.8304 77 R 4.3758 8.8567 117.9347 56.8336 32.2310 175.7406 *89 I 3.9981 7.4670 117.8439 61.1144 39.1981 173.9662 90 Y 5.0492 8.7305 127.3515 56.5257 40.4408 174.1955 91 M 4.9742 8.3040 126.1042 53.4077 35.9843 174.7016 92 I 4.4794 8.2800 122.4041 59.7510 40.3631 174.0775 93 Y 5.3107 8.9248 125.8137 56.6682 39.9496 174.6648 94 L 4.7602 9.3377 124.8799 53.2109 44.3903 175.3681 95 I 5.0342 8.5968 125.9540 59.6929 39.4321 174.9425 96 F 5.3822 9.6248 126.1856 55.8284 42.0392 174.4112 97 D 5.1257 9.3275 123.3426 53.9804 42.1514 175.4333 98 C 5.4354 9.2428 120.2942 57.9316 32.9871 173.0765 99 V 4.8995 8.7690 121.6367 61.1824 33.8941 174.4935 100 S 5.2244 8.7298 122.4468 56.9430 64.3224 174.4073 101 A 4.2897 9.2112 124.5764 54.1106 18.9365 176.6163 102 N 4.8926 7.8609 110.5588 51.7949 40.5991 174.1597 103 R 4.3827 8.1521 113.7033 55.8514 30.7046 175.7562 104 D 4.5648 8.1449 118.8971 54.4281 40.7305 175.5459 105 I 4.6125 8.1413 124.7668 59.4859 40.2234 175.3324 106 C 4.7760 8.9229 123.7147 58.0564 30.8441 174.0246 107 I 5.0069 8.3583 117.4299 60.1622 39.3066 176.5978 108 N 5.0565 8.7393 120.2611 54.4215 38.3436 174.8206 109 D 4.4905 9.5049 112.7863 56.7115 42.0923 177.2271 110 E 3.7233 8.5787 120.0974 58.1155 29.7344 176.1242 111 F 5.7307 7.5624 114.8307 55.7197 42.4561 175.0107 112 Q 4.6255 9.1082 118.0410 56.5012 30.2162 174.2667 113 D 4.7701 7.7554 118.4376 54.1840 44.8567 172.8323 114 Y 5.4836 8.0495 117.8214 56.2182 41.0786 173.7469 115 A 4.6069 9.0809 120.4932 50.5943 23.2640 175.2607 116 W 4.9430 8.8236 120.9363 55.2412 30.7238 175.8473 117 V 4.5132 8.8188 125.5034 60.5907 34.0137 175.3048 118 K 4.5178 8.6872 126.6622 55.6772 32.8681 176.1068 119 P 4.2402 0.0000 0.0000 66.0086 31.3520 178.0895 120 E 4.2026 8.1707 114.6435 57.7710 29.8346 177.4116 121 E 4.5836 8.3642 118.3676 55.9880 30.4055 177.4724 122 L 3.9617 7.7050 120.5614 57.9012 41.4900 179.1484 123 A 4.1178 7.9205 118.8043 54.7076 18.4006 179.1224 124 L 3.9911 7.7081 116.8067 56.6613 41.9943 177.3880 125 Y 3.8769 7.0868 115.6740 57.4122 38.6537 175.7566 126 D 4.7033 8.5164 122.9994 53.3581 39.9340 174.6030 127 L 4.8574 8.0135 123.6479 53.4291 42.8986 176.9704 128 N 4.8000 8.8139 120.3219 52.3464 38.4158 176.2762 129 V 3.5124 8.6194 117.9609 66.3540 31.4727 178.0024 130 A 4.1171 8.0038 119.7770 55.4494 18.3309 179.6076 131 T 3.8256 8.3854 114.3177 66.6811 68.4636 176.8498 132 R 3.8645 8.2310 120.8399 59.8866 30.0977 178.1828 133 H 4.2657 8.2852 115.9449 59.2296 28.6651 178.0098 134 T 4.0477 8.1519 117.4139 66.8110 68.2837 176.9136 135 L 3.9566 8.3363 120.9982 57.4370 41.5806 179.4031 136 A 3.9705 8.3600 121.2107 55.2365 18.1720 179.4939 137 L 4.0452 7.9885 117.4761 58.0951 42.2575 178.6472 138 K 4.0953 8.0444 118.3200 57.3525 32.0822 177.5569 139 G 3.8978 7.9247 106.6036 46.0488 0.0000 174.1552 140 L 4.2140 7.8858 119.0201 54.7929 42.2838 176.9881 141 L 4.2695 7.7222 123.1952 54.6993 41.8656 176.1026 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 2 R 8.11 4.42 0.00 1.80 2.08 0.00 3.04 0.00 0.00 3.33 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 3 Q 8.14 5.03 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.67 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 4 R 9.55 4.66 0.00 1.68 1.76 0.00 3.28 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 5 T 8.58 4.86 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 1.25 0.00 0.00 6 I 9.10 4.94 2.16 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.16 1.01 0.00 0.00 7 V 8.96 5.12 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 0.94 0.00 0.00 1.01 0.00 0.00 8 C 9.70 5.45 0.00 2.87 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 9 P 0.00 5.27 0.00 2.09 2.04 0.00 3.94 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 10 L 9.23 4.50 0.00 1.87 1.85 0.96 0.68 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 11 I 8.17 4.96 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 1.44 0.64 1.10 0.00 0.00 12 Q 9.14 5.16 0.00 1.61 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.10 0.00 13 N 9.12 4.83 0.00 2.46 1.82 0.00 0.00 7.23 9.28 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 14 D 9.65 4.42 0.00 2.60 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 15 G 8.14 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 16 C 7.78 5.12 0.00 3.00 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 17 Y 9.09 5.11 0.00 2.80 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 18 L 8.40 4.06 0.00 0.27 1.10 -0.12 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.62 4.82 0.00 1.27 1.61 0.19 0.62 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 20 C 8.64 4.92 0.00 1.23 1.18 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 21 K 8.09 3.90 0.00 0.79 0.98 0.00 1.08 0.00 0.00 1.31 0.00 0.00 2.73 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.94 0.39 7.81 22 M 8.92 4.78 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.60 0.00 23 A 8.61 4.07 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 24 D 7.91 4.26 0.00 2.59 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 25 N 7.59 4.83 0.00 2.85 3.15 0.00 0.00 6.92 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 26 R 7.88 4.66 0.00 1.96 2.02 0.00 3.12 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 27 G 8.52 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 0.00 0.00 0.00 0.00 28 V 8.28 3.62 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 0.64 0.00 0.00 0.39 0.00 0.00 29 F 7.53 4.29 0.00 3.23 3.05 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 0.00 0.00 0.00 0.00 30 P 0.00 4.49 0.00 2.12 2.03 0.00 3.78 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 31 G 8.27 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 32 Q 8.64 4.75 0.00 2.08 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.65 2.45 0.00 33 W 9.38 5.17 0.00 3.28 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 34 A 9.05 5.40 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 35 L 8.29 4.75 0.00 1.55 1.63 0.97 0.83 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 36 S 8.65 4.84 0.00 4.04 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 37 G 9.00 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 0.00 0.00 0.00 38 G 9.26 4.37 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 0.00 0.00 0.00 39 G 8.65 4.34 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 0.00 40 V 8.04 4.65 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 0.88 0.00 0.00 1.02 0.00 0.00 41 E 9.53 4.26 0.00 2.12 1.85 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 2.33 2.28 0.00 42 P 0.00 4.40 0.00 2.04 2.01 0.00 3.73 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 2.03 2.10 0.00 43 G 8.89 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 44 E 7.91 4.41 0.00 1.97 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 2.28 2.27 0.00 45 R 8.34 4.20 0.00 1.91 1.86 0.00 3.20 0.00 0.00 3.40 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 46 I 8.40 3.74 2.12 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.91 0.98 0.00 0.00 47 E 8.21 3.71 0.00 2.11 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 2.30 2.21 0.00 48 E 8.16 3.86 0.00 2.11 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 0.00 2.37 2.56 0.00 49 A 8.29 4.09 1.48 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 0.00 0.00 0.00 50 L 7.72 3.77 0.00 1.44 1.48 0.82 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.16 3.88 0.00 1.95 1.93 0.00 3.14 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 52 R 8.25 3.83 0.00 1.90 2.07 0.00 3.20 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 53 E 8.31 3.90 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 2.33 2.43 0.00 54 I 7.80 3.69 1.98 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 1.51 0.63 0.90 0.00 0.00 55 R 8.19 4.08 0.00 2.03 1.97 0.00 3.12 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 56 E 8.45 3.95 0.00 2.08 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 2.33 2.45 0.00 57 E 8.56 4.53 0.00 2.04 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 0.00 2.32 2.81 0.00 58 L 8.64 4.65 0.00 1.75 1.58 0.86 0.71 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 59 G 7.36 4.67 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 0.00 0.00 0.00 60 E 8.42 4.19 0.00 1.97 2.01 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 2.31 2.29 0.00 61 Q 7.94 4.06 0.00 2.20 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 7.09 0.00 0.00 0.00 0.00 0.00 2.51 2.29 0.00 62 L 7.43 4.37 0.00 1.66 1.64 1.15 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.95 4.41 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 1.22 0.93 0.90 0.00 0.00 64 L 8.43 4.99 0.00 1.52 1.61 0.90 1.00 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 65 S 9.14 4.43 0.00 3.84 3.97 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 66 D 7.67 4.72 0.00 2.80 2.50 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 67 I 8.36 5.10 1.90 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 1.34 0.78 0.92 0.00 0.00 68 T 9.35 4.81 4.35 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 1.30 0.00 0.00 69 P 0.00 3.80 0.00 1.91 1.76 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 70 W 9.05 4.79 0.00 3.41 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 71 T 7.04 4.48 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 -0.50 0.00 0.00 72 F 7.58 5.79 0.00 3.04 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 73 R 8.16 4.62 0.00 1.78 1.90 0.00 2.90 0.00 0.00 3.39 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 74 D 8.34 5.00 0.00 2.26 2.55 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 75 D 7.70 4.53 0.00 2.22 2.01 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 76 I 8.13 5.25 1.91 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 1.63 0.91 1.01 0.00 0.00 77 R 8.86 4.38 0.00 1.87 2.00 0.00 3.11 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 *89 I 7.47 4.00 1.89 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 1.25 0.59 0.98 0.00 0.00 90 Y 8.73 5.05 0.00 3.00 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 91 M 8.30 4.97 0.00 1.70 1.50 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 92 I 8.28 4.48 1.79 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 1.07 0.39 0.87 0.00 0.00 93 Y 8.92 5.31 0.00 2.86 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 94 L 9.34 4.76 0.00 1.68 1.46 0.97 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.60 5.03 2.06 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.73 1.28 0.00 0.00 96 F 9.62 5.38 0.00 2.88 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.33 5.13 0.00 2.67 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 98 C 9.24 5.44 0.00 2.88 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 99 V 8.77 4.90 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 1.04 0.00 0.00 0.92 0.00 0.00 100 S 8.73 5.22 0.00 4.09 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 0.00 101 A 9.21 4.29 1.25 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 0.00 0.00 0.00 102 N 7.86 4.89 0.00 2.72 2.73 0.00 0.00 5.85 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 0.00 103 R 8.15 4.38 0.00 1.51 1.50 0.00 2.64 0.00 0.00 2.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.04 0.00 104 D 8.14 4.56 0.00 2.68 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 0.00 105 I 8.14 4.61 0.56 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.29 0.29 0.00 0.00 106 C 8.92 4.78 0.00 2.74 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 0.00 107 I 8.36 5.01 2.02 0.00 0.00 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 1.32 0.44 0.99 0.00 0.00 108 N 8.74 5.06 0.00 2.64 2.32 0.00 0.00 7.01 8.47 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 0.00 109 D 9.50 4.49 0.00 2.63 2.62 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 0.00 110 E 8.58 3.72 0.00 1.64 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 1.47 1.74 0.00 111 F 7.56 5.73 0.00 2.93 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 0.00 112 Q 9.11 4.63 0.00 1.96 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.65 0.00 0.00 0.00 0.00 0.00 2.44 2.14 0.00 113 D 7.76 4.77 0.00 2.61 2.28 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 0.00 114 Y 8.05 5.48 0.00 2.86 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 0.00 115 A 9.08 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 W 8.82 4.94 0.00 3.23 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 0.00 117 V 8.82 4.51 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 0.97 0.00 0.00 0.40 0.00 0.00 118 K 8.69 4.52 0.00 1.90 2.05 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.57 1.51 7.81 119 P 0.00 4.24 0.00 2.20 2.13 0.00 3.68 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.50 0.00 120 E 8.17 4.20 0.00 1.95 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 2.32 2.40 0.00 121 E 8.36 4.58 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 2.23 2.32 0.00 122 L 7.70 3.96 0.00 1.66 1.65 0.61 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 123 A 7.92 4.12 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 0.00 124 L 7.71 3.99 0.00 1.65 1.52 0.86 0.79 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 0.00 125 Y 7.09 3.88 0.00 2.93 2.58 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 0.00 0.00 0.00 126 D 8.52 4.70 0.00 2.80 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 0.00 127 L 8.01 4.86 0.00 1.73 1.64 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 128 N 8.81 4.80 0.00 3.00 3.02 0.00 0.00 6.46 7.24 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 0.00 129 V 8.62 3.51 2.14 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 1.13 0.00 0.00 0.96 0.00 0.00 130 A 8.00 4.12 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 0.00 131 T 8.39 3.83 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 1.23 0.00 0.00 132 R 8.23 3.86 0.00 1.99 1.96 0.00 3.06 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 133 H 8.29 4.27 0.00 3.30 3.37 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 T 8.15 4.05 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 1.48 0.00 0.00 135 L 8.34 3.96 0.00 1.64 1.61 0.84 0.85 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 0.00 136 A 8.36 3.97 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 0.00 137 L 7.99 4.05 0.00 1.84 2.15 0.95 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 138 K 8.04 4.10 0.00 1.62 1.75 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.58 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.95 1.11 7.81 139 G 7.92 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 0.00 140 L 7.89 4.21 0.00 1.53 1.45 0.17 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 141 L 7.72 4.27 0.00 1.60 1.54 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.