NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 R 4.3263 8.1127 119.0735 55.4398 31.5037 175.6674 9 L 4.1375 8.2734 117.5244 58.3285 41.8457 177.4984 10 D 4.8498 8.9381 118.3462 56.7922 41.7622 176.1692 11 D 4.7722 7.9022 117.0073 54.5862 41.8272 177.3201 12 Q 4.2379 8.0623 120.3581 55.2920 30.3208 176.6990 13 I 3.8043 8.5211 124.5165 64.2052 38.1408 178.3155 14 G 3.7360 8.1360 106.1336 47.6854 0.0000 175.3427 15 F 4.3648 8.1969 122.4173 61.3214 39.5568 177.1987 16 I 3.5010 7.8283 119.4778 64.3012 36.8753 178.4481 17 L 3.9417 8.4248 120.2617 57.6975 41.4147 179.6048 18 R 3.8771 7.9756 118.6902 59.4464 30.0073 178.5133 19 Q 3.8254 7.9609 117.6835 58.8508 28.6583 178.7295 20 A 3.9672 8.0829 121.8246 55.0619 18.3325 179.1391 21 N 4.2589 8.1576 115.4487 57.0027 39.0816 177.0347 22 Q 3.9892 8.6216 119.6483 58.9650 28.9444 178.6534 23 R 3.8743 8.3233 120.0822 59.8181 30.0008 177.8693 24 Y 3.9737 8.2560 118.8621 60.6524 38.8338 177.7653 25 A 4.0091 8.6105 121.8982 55.0817 18.5344 179.5240 26 A 3.9536 8.0795 119.4562 55.2509 18.5565 179.9151 27 L 3.9632 7.7183 117.1629 57.5154 41.6179 179.4686 28 F 3.5918 8.0607 120.5413 61.2078 39.1970 177.2008 29 A 4.0190 7.7989 118.5225 54.6978 18.1580 178.4546 30 N 4.5274 7.4898 113.5475 55.0388 39.2588 176.2076 31 G 3.8531 7.2688 103.3725 44.1548 0.0000 174.3925 32 I 3.2965 7.5335 121.3735 61.4314 37.6650 176.8504 33 G 3.8225 7.7342 104.4621 46.0777 0.0000 173.0333 34 N 4.6988 7.8991 115.1960 52.0021 37.4343 176.1972 35 G 3.9444 8.0882 105.6844 46.0328 0.0000 174.0390 36 L 4.7497 8.1635 119.5580 53.3634 42.7575 177.5719 37 T 4.3664 8.4943 112.8786 60.8551 71.2432 173.8275 38 P 3.1650 0.0000 0.0000 65.5416 31.1784 178.7154 39 T 4.1298 7.7388 107.6663 64.0142 68.7125 176.9967 40 Q 4.0216 7.9041 121.0528 58.6134 28.7332 178.3848 41 W 4.3496 8.6692 129.3218 60.4806 30.6904 177.7421 42 A 3.8798 8.0170 120.1333 55.0733 17.8621 179.3357 43 A 3.8530 7.9988 119.1863 55.1999 18.5869 179.5220 44 L 3.7386 7.5662 118.2060 58.2472 41.6212 179.2511 45 V 3.2324 7.4459 118.4114 65.9618 31.3014 177.8981 46 R 3.8435 8.0033 118.4192 59.3933 29.8407 178.3463 47 L 4.0928 7.4411 120.2465 57.2002 41.3803 179.7025 48 G 3.6012 7.6756 104.2054 47.7129 0.0000 175.1918 49 E 4.1668 7.5532 119.3987 58.9389 29.5683 178.4799 50 T 4.2311 8.3083 109.5031 62.4992 69.6085 175.9976 51 G 3.9857 8.2313 109.4593 43.4325 0.0000 170.3920 52 P 4.5263 0.0000 0.0000 63.6655 31.5967 175.8471 53 C 4.8140 9.3210 123.9888 56.8144 35.5368 171.4633 54 P 4.8271 0.0000 0.0000 62.3614 31.9544 177.0000 55 Q 3.9157 8.9741 124.2200 59.7789 29.0303 178.8493 56 N 4.3941 8.0744 116.8298 56.0506 38.6340 177.0511 57 Q 3.9211 8.0446 120.7240 59.1791 28.9614 177.9993 58 L 4.0544 7.9304 120.3246 58.0968 42.4666 178.9342 59 G 3.7314 7.9831 105.4609 47.8436 0.0000 175.8880 60 R 4.0836 8.0265 119.0599 58.0652 30.1350 178.1198 61 L 4.4791 7.6136 117.5896 55.2024 41.7621 177.0166 62 T 4.4175 7.3735 108.7021 60.6187 69.1800 172.4525 63 A 3.5417 8.0194 124.3435 53.4714 15.2488 177.3859 *65 D 4.4286 7.8217 119.2494 53.6294 43.6875 175.7725 66 A 4.1047 8.3899 121.7205 55.6876 18.4173 179.9496 67 A 3.9385 7.8997 118.5089 55.5562 18.4262 179.8862 68 T 3.8216 7.7767 113.7939 66.8687 68.6694 176.7625 69 I 3.7177 8.1999 120.9575 63.4923 37.8419 177.7208 70 K 4.6045 7.5308 122.2918 59.0328 32.0553 178.8838 71 G 3.6387 7.9355 105.4221 48.0116 0.0000 175.8707 72 V 3.8219 7.6619 114.5727 63.5906 31.6602 178.9169 73 V 3.6314 7.9792 118.4462 65.7049 31.3103 177.8248 74 E 3.9476 8.4342 118.6725 59.7258 29.2072 179.7131 75 R 3.9493 7.9823 117.9362 59.0561 30.0110 178.9368 76 L 4.0068 7.9801 120.3654 58.1193 42.0976 178.5111 77 D 4.3924 8.7251 118.4986 56.7814 40.9959 177.4477 78 K 4.2585 8.1577 117.9832 57.6722 32.2271 176.9416 79 R 4.4505 7.0907 112.4829 55.9167 31.4519 176.1764 80 G 3.9507 8.1585 105.7548 46.2104 0.0000 174.9058 81 L 4.4233 7.7599 121.5277 56.0408 42.6964 176.6685 82 I 5.2535 7.7484 110.5635 58.8638 41.1037 174.6732 83 Q 4.7573 9.4617 121.0951 54.4898 31.8147 174.2422 84 R 5.3095 8.5668 119.9724 54.6424 32.4437 175.5203 85 S 4.7683 8.9499 116.8545 56.2236 66.9971 173.2626 86 A 4.4292 8.6299 123.6866 52.2391 18.9433 176.7491 87 D 4.4903 8.8996 123.2426 53.6628 41.7053 175.5074 88 P 4.4160 0.0000 0.0000 64.7680 31.6385 176.5179 89 D 4.5984 8.1770 117.8804 54.3345 41.6687 176.0995 90 D 4.3202 7.6548 114.4222 53.4090 42.8008 176.2243 91 G 3.7416 8.6945 115.9970 47.5971 0.0000 172.9936 92 R 4.0932 7.7400 117.9242 58.0104 30.6963 176.8191 93 R 4.5473 7.9809 117.3925 54.7919 32.7865 175.1938 94 L 4.9631 8.2223 122.9402 53.2811 44.8177 175.1233 95 L 4.7320 8.9797 127.6378 54.3549 43.2052 176.0435 96 V 4.7973 9.3907 124.6675 61.6153 33.7682 174.4424 97 S 4.9029 8.6105 120.3668 56.6897 66.3083 173.0855 98 L 4.5752 8.4036 125.4539 54.8074 42.1333 177.3276 99 S 4.4452 8.8406 119.6943 57.4912 64.0135 173.5728 100 P 4.0403 0.0000 0.0000 66.2679 30.5913 178.1080 101 A 4.0481 8.1640 119.9534 55.2522 18.2683 179.6602 102 G 3.4433 8.0520 103.0628 47.9143 0.0000 175.5484 103 R 3.8704 8.8374 121.5418 58.9753 29.8267 178.3928 104 A 4.1112 7.7396 119.7949 54.7542 18.8945 178.8761 105 E 4.0809 8.8533 117.5655 59.0485 29.7967 178.3884 106 L 4.3059 8.2874 123.2014 58.1657 42.5513 178.1386 107 E 4.4292 7.8946 119.9091 55.4998 27.3236 179.3074 *109 G 4.3595 7.9047 112.5806 45.3361 0.0000 173.0165 110 L 4.2050 8.0142 119.7423 56.5832 41.6721 179.6301 111 A 3.9695 8.0364 120.5687 55.0402 18.4074 179.2169 112 A 3.7905 7.8970 118.5737 55.2231 18.4447 179.4949 113 A 3.7200 7.2392 118.8383 55.4177 18.4568 180.1384 114 R 4.0322 8.1020 116.4318 58.9027 30.1009 178.9776 115 E 3.8893 8.2320 119.5388 59.1422 29.6874 178.5348 116 I 3.5801 7.9804 120.3178 64.6875 37.2080 178.1048 117 N 4.5714 8.2451 117.1843 56.4203 38.3517 177.7885 118 R 4.0261 8.1324 117.5178 59.1786 29.2864 178.9517 119 Q 3.9420 8.0473 117.9475 58.8725 28.8249 178.2675 120 A 4.1757 7.9983 120.3964 54.5025 18.7452 178.6684 121 L 4.4325 7.7810 114.6838 54.9021 42.0351 178.2821 122 A 4.0209 7.5240 121.1215 54.7447 18.3278 177.1199 123 P 4.3052 0.0000 0.0000 64.4472 31.6890 176.1655 124 L 4.7249 7.6256 117.6785 52.6905 44.1209 176.7348 125 S 4.5617 8.5867 116.5685 57.5348 65.6041 175.3846 126 L 4.0394 8.2782 121.0731 58.0466 41.1315 179.7737 127 Q 4.0317 8.0417 117.4908 58.6002 28.6902 178.1402 128 E 4.0733 7.7171 119.1337 59.1143 29.6657 179.0411 129 Q 4.0261 8.7898 118.5441 58.6640 28.6474 178.3886 130 E 3.9392 8.3574 119.8286 59.8003 29.5716 179.4498 131 T 3.8238 7.5769 115.4108 66.5837 68.5625 176.3591 132 L 3.9149 7.9870 122.0778 58.2805 42.2570 178.7579 133 R 3.9964 7.8665 118.2613 59.5787 29.6785 178.7088 134 G 3.5791 7.7102 103.9452 47.6583 0.0000 175.5128 135 L 4.1546 8.0378 121.5837 57.6040 41.6294 179.6159 136 L 3.9939 8.3665 119.1093 57.7358 40.9980 179.3734 137 A 3.9948 7.9503 120.3946 55.2747 18.0714 179.7136 138 R 4.0611 7.6357 114.2592 58.1204 30.1099 178.0171 139 L 4.5893 7.5808 117.8612 54.3740 42.0249 176.4269 140 I 3.9200 7.2844 125.3437 61.6660 37.0552 175.8117 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 8 R 8.11 4.33 0.00 1.75 1.89 0.00 3.24 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 9 L 8.27 4.14 0.00 1.62 1.48 0.74 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.94 4.85 0.00 2.77 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 11 D 7.90 4.77 0.00 2.83 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 12 Q 8.06 4.24 0.00 2.36 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 13 I 8.52 3.80 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 1.58 1.04 0.93 0.00 0.00 14 G 8.14 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 15 F 8.20 4.36 0.00 3.06 3.27 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 16 I 7.83 3.50 1.87 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.59 0.87 0.00 0.00 17 L 8.42 3.94 0.00 1.83 1.70 0.92 0.80 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 18 R 7.98 3.88 0.00 1.92 2.04 0.00 3.14 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 1.61 1.67 0.00 19 Q 7.96 3.83 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 1.99 1.65 0.00 20 A 8.08 3.97 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 21 N 8.16 4.26 0.00 3.01 2.92 0.00 0.00 7.26 6.62 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 22 Q 8.62 3.99 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.53 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 23 R 8.32 3.87 0.00 1.88 2.21 0.00 3.14 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 24 Y 8.26 3.97 0.00 3.18 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 25 A 8.61 4.01 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 26 A 8.08 3.95 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 27 L 7.72 3.96 0.00 1.65 1.55 0.89 0.73 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 28 F 8.06 3.59 0.00 2.69 2.86 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 29 A 7.80 4.02 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 30 N 7.49 4.53 0.00 2.80 2.94 0.00 0.00 6.92 7.86 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 31 G 7.27 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 32 I 7.53 3.30 0.56 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.82 0.72 0.00 0.00 33 G 7.73 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 0.00 0.00 0.00 34 N 7.90 4.70 0.00 3.09 2.88 0.00 0.00 6.91 7.13 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 35 G 8.09 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 0.00 0.00 0.00 36 L 8.16 4.75 0.00 2.00 1.86 1.26 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.49 4.37 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 1.27 0.00 0.00 38 P 0.00 3.17 0.00 1.98 1.72 0.00 3.51 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.70 0.00 39 T 7.74 4.13 4.24 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 0.00 0.00 0.00 1.19 0.00 0.00 40 Q 7.90 4.02 0.00 2.43 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 41 W 8.67 4.35 0.00 3.72 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 42 A 8.02 3.88 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 43 A 8.00 3.85 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 44 L 7.57 3.74 0.00 1.83 1.38 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.45 3.23 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 0.82 0.00 0.00 0.02 0.00 0.00 46 R 8.00 3.84 0.00 1.97 1.97 0.00 3.17 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 47 L 7.44 4.09 0.00 1.83 1.66 0.88 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.68 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 0.00 0.00 0.00 49 E 7.55 4.17 0.00 2.15 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 2.31 2.40 0.00 50 T 8.31 4.23 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 1.23 0.00 0.00 51 G 8.23 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 0.00 0.00 0.00 52 P 0.00 4.53 0.00 1.93 2.02 0.00 3.62 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 53 C 9.32 4.81 0.00 3.06 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 54 P 0.00 4.83 0.00 2.10 1.95 0.00 3.93 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.92 0.00 55 Q 8.97 3.92 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 56 N 8.07 4.39 0.00 2.77 2.84 0.00 0.00 6.66 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 57 Q 8.04 3.92 0.00 2.10 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 58 L 7.93 4.05 0.00 1.64 1.89 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 59 G 7.98 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 60 R 8.03 4.08 0.00 1.93 2.00 0.00 3.15 0.00 0.00 3.21 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.96 0.00 61 L 7.61 4.48 0.00 1.78 1.69 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.37 4.42 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 1.17 0.00 0.00 63 A 8.02 3.54 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 *65 D 7.82 4.43 0.00 2.79 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 66 A 8.39 4.10 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 67 A 7.90 3.94 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 68 T 7.78 3.82 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 69 I 8.20 3.72 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 1.63 1.22 1.05 0.00 0.00 70 K 7.53 4.60 0.00 2.07 2.03 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.59 1.33 7.81 71 G 7.94 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 0.00 0.00 0.00 72 V 7.66 3.82 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 0.83 0.00 0.00 0.94 0.00 0.00 73 V 7.98 3.63 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 0.93 0.00 0.00 0.98 0.00 0.00 74 E 8.43 3.95 0.00 2.30 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 2.34 2.36 0.00 75 R 7.98 3.95 0.00 1.90 2.00 0.00 3.15 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 76 L 7.98 4.01 0.00 2.08 1.67 0.98 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.73 4.39 0.00 2.82 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 78 K 8.16 4.26 0.00 2.05 1.92 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.63 7.81 79 R 7.09 4.45 0.00 2.02 1.91 0.00 3.35 0.00 0.00 3.33 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 80 G 8.16 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 81 L 7.76 4.42 0.00 1.75 1.74 1.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 82 I 7.75 5.25 1.95 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 1.40 0.59 0.90 0.00 0.00 83 Q 9.46 4.76 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 84 R 8.57 5.31 0.00 1.69 1.86 0.00 3.18 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 85 S 8.95 4.77 0.00 3.84 3.89 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 0.00 0.00 0.00 86 A 8.63 4.43 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 87 D 8.90 4.49 0.00 2.75 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 88 P 0.00 4.42 0.00 2.21 2.16 0.00 3.79 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 1.98 1.98 0.00 89 D 8.18 4.60 0.00 2.78 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 90 D 7.65 4.32 0.00 2.57 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 91 G 8.69 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 92 R 7.74 4.09 0.00 1.81 2.00 0.00 3.15 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 93 R 7.98 4.55 0.00 1.82 1.82 0.00 3.21 0.00 0.00 3.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 94 L 8.22 4.96 0.00 1.73 1.49 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.98 4.73 0.00 1.88 1.56 0.97 0.48 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 96 V 9.39 4.80 2.07 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 0.94 0.00 0.00 0.92 0.00 0.00 97 S 8.61 4.90 0.00 3.90 3.61 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 98 L 8.40 4.58 0.00 1.52 1.57 0.87 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.84 4.45 0.00 3.90 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 0.00 100 P 0.00 4.04 0.00 2.26 2.32 0.00 3.71 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 2.08 2.05 0.00 101 A 8.16 4.05 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 0.00 102 G 8.05 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 0.00 0.00 0.00 103 R 8.84 3.87 0.00 2.09 2.07 0.00 3.12 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 104 A 7.74 4.11 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 0.00 105 E 8.85 4.08 0.00 2.00 2.07 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 2.48 2.46 0.00 106 L 8.29 4.31 0.00 1.82 1.87 0.44 0.75 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 0.00 107 E 7.89 4.43 0.00 1.90 1.86 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 2.24 2.13 0.00 *109 G 7.90 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 0.00 0.00 0.00 0.00 110 L 8.01 4.20 0.00 1.86 1.90 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.04 3.97 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 0.00 112 A 7.90 3.79 1.10 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 0.00 0.00 0.00 0.00 0.00 113 A 7.24 3.72 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 0.00 114 R 8.10 4.03 0.00 2.03 2.01 0.00 3.16 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 115 E 8.23 3.89 0.00 2.05 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 0.00 2.24 2.47 0.00 116 I 7.98 3.58 1.93 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.61 0.70 0.00 0.00 117 N 8.25 4.57 0.00 2.98 2.97 0.00 0.00 6.86 7.69 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 0.00 118 R 8.13 4.03 0.00 2.07 2.21 0.00 2.78 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.81 0.00 119 Q 8.05 3.94 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.02 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 120 A 8.00 4.18 1.52 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 0.00 0.00 121 L 7.78 4.43 0.00 1.81 1.81 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 122 A 7.52 4.02 1.37 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 0.00 123 P 0.00 4.31 0.00 2.06 2.13 0.00 3.75 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 2.11 0.00 124 L 7.63 4.72 0.00 1.81 1.56 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 125 S 8.59 4.56 0.00 4.07 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 0.00 126 L 8.28 4.04 0.00 1.71 1.76 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 8.04 4.03 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 128 E 7.72 4.07 0.00 2.39 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 2.32 2.34 0.00 129 Q 8.79 4.03 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 130 E 8.36 3.94 0.00 2.25 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 2.34 2.49 0.00 131 T 7.58 3.82 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 1.21 0.00 0.00 132 L 7.99 3.91 0.00 1.81 1.73 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 133 R 7.87 4.00 0.00 2.14 2.02 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 134 G 7.71 3.58 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 0.00 0.00 0.00 135 L 8.04 4.15 0.00 1.99 1.72 0.92 0.51 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 0.00 136 L 8.37 3.99 0.00 1.78 1.69 0.89 0.86 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 0.00 137 A 7.95 3.99 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 0.00 138 R 7.64 4.06 0.00 1.92 2.00 0.00 3.31 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.91 0.00 139 L 7.58 4.59 0.00 1.68 1.66 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 140 I 7.28 3.92 2.08 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 1.13 0.44 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.