NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4385 8.1927 115.4124 58.1769 65.1693 175.3336 5 S 3.9505 7.9310 115.3015 59.8504 62.1215 173.9561 6 S 4.2117 8.7276 116.8502 61.2344 62.7500 175.5228 7 T 3.8907 7.6732 118.0709 66.4154 68.2762 176.4909 8 K 3.9019 8.4455 122.0545 59.2671 32.1569 178.7293 9 K 3.9329 7.7407 119.9770 59.7650 32.0312 178.9657 10 T 3.8505 7.8261 116.0223 66.5510 68.3285 176.2996 11 Q 3.9405 8.2679 121.6471 59.3632 29.0562 178.5443 12 L 3.9933 8.0702 119.8348 57.8065 41.6259 179.5426 13 Q 4.0051 8.1055 117.9467 59.0307 28.6350 178.8613 14 L 4.0513 8.1189 120.0284 57.9643 41.6851 179.5350 15 E 3.9808 8.4154 118.6022 59.6907 29.3856 178.9459 16 H 4.1930 8.7838 118.7889 58.8215 29.8610 177.2036 17 L 3.9151 8.4056 122.8139 57.9736 41.9237 178.3673 18 L 3.9621 8.2142 120.7324 58.3172 41.9237 178.7583 19 L 4.2024 7.9246 121.1802 57.8678 42.1801 178.5917 20 D 4.4565 8.2067 118.8026 57.3851 40.7322 178.9168 21 L 4.0435 8.0334 119.4907 57.9648 41.1427 179.5482 22 Q 4.0775 8.4353 118.2650 59.2418 28.5865 178.8204 23 M 4.1642 8.4716 120.2486 58.3358 31.9015 178.9073 24 I 3.8383 7.7900 119.8142 64.1634 37.2019 178.1090 25 L 3.9922 8.0328 121.2447 58.3211 42.0198 178.5852 26 N 4.4028 8.6479 117.4257 56.4769 38.6141 176.9738 27 G 3.4776 7.8336 106.3646 47.9209 0.0000 175.3378 28 I 4.2353 8.0815 122.7348 64.1157 36.9011 177.8140 29 N 4.3637 8.2947 117.5265 56.2627 38.7409 175.5732 30 N 4.9718 7.7194 114.9589 52.1218 38.7041 175.2335 31 Y 4.5306 7.5654 124.2109 56.8435 37.2992 174.4441 32 K 4.2889 7.8446 123.9269 54.0717 31.3361 174.8932 33 N 4.7822 7.3603 119.5282 50.8554 42.1017 173.5737 34 P 4.2124 0.0000 0.0000 65.2394 31.7908 177.7073 35 K 4.2007 8.6304 117.5894 58.0921 32.5935 178.8455 36 L 4.1838 8.2153 121.8275 58.5124 41.6822 178.9912 37 T 3.9080 7.8498 107.9638 64.8435 68.9047 176.1959 38 R 4.0790 7.9817 120.4290 59.2928 30.1097 178.3351 39 M 4.0258 8.7058 118.3039 58.6905 31.9958 177.7130 40 L 4.3861 8.0796 117.0926 56.2095 41.9036 178.0479 41 T 4.5535 7.8416 109.2495 60.4109 69.3376 173.9319 42 F 4.4109 7.6409 125.0010 57.1953 39.7583 174.9572 43 K 4.6365 7.7751 127.4810 55.4576 33.6047 176.1372 44 F 4.5913 8.7812 121.1227 55.7824 42.5709 173.9078 45 Y 4.6994 9.4814 119.8988 57.2989 39.0344 174.9572 46 M 5.1507 8.8132 123.0449 52.8346 35.0466 173.4751 47 P 4.5969 0.0000 0.0000 62.7872 31.8475 176.4602 48 K 4.3211 9.2669 124.2697 58.7621 32.4564 177.7648 49 K 4.4517 7.8390 116.2706 54.9693 35.2322 176.2518 50 A 4.3990 8.1872 124.9401 51.4405 19.5216 175.3104 51 T 4.6990 8.7349 109.0154 61.3473 70.7605 174.0101 52 E 4.8257 8.0023 120.5667 53.5658 33.5898 176.4705 53 L 4.2840 8.4528 119.9426 57.8469 41.5010 179.9700 54 K 4.0741 7.9516 118.4198 60.0122 32.6422 178.2498 55 H 4.1767 7.8879 116.2413 57.1454 28.4886 176.9745 56 L 3.7323 7.8107 121.5255 56.5978 41.3603 178.5397 57 Q 3.9680 7.8912 120.0439 59.6794 28.6936 177.8678 58 C 4.8855 8.0980 117.3021 58.8208 37.7030 175.3451 59 L 3.7571 7.2148 121.9073 57.3437 41.7702 177.8951 60 E 3.8427 8.1018 119.4427 59.5888 29.3673 178.8477 61 E 4.1432 8.2295 116.6630 58.6526 29.9076 178.1196 62 E 4.6034 8.0753 117.1367 56.4832 29.9013 177.8070 63 L 4.1835 7.9481 121.0363 57.2384 41.5946 179.1444 64 K 3.9437 8.0763 119.6773 59.0517 32.2812 176.8792 65 P 4.3882 0.0000 0.0000 65.7309 31.1670 177.9940 66 L 4.2073 8.0906 119.6523 58.1181 42.0491 178.5376 67 E 3.8881 8.3739 119.3147 59.1217 29.4643 178.1586 68 E 3.8420 8.3239 119.6401 59.4720 29.7325 179.3858 69 V 3.0072 7.4667 118.8681 64.3888 31.1995 178.3111 70 L 3.5206 7.6074 119.5532 57.2750 41.3578 178.8770 71 N 4.2168 8.2832 116.8639 56.3683 38.3219 176.9740 72 L 3.8648 7.6925 118.8090 58.1431 42.0009 179.4320 73 A 4.0280 7.7872 120.1648 55.1680 17.9410 179.6724 74 Q 4.1579 8.2019 116.1616 59.2453 28.8365 178.9841 75 S 4.3148 8.1701 115.1482 60.0185 63.4430 174.7426 76 K 4.6664 7.9456 121.4391 56.0014 32.2349 175.4889 77 N 4.4330 8.1781 108.8821 54.5445 37.8052 175.7923 78 F 4.0741 8.6999 121.7763 58.9637 37.4870 176.2251 *83 R 4.3065 9.0311 115.8432 55.6058 32.2185 175.0028 84 D 4.8949 7.4120 117.1997 52.4433 36.6361 176.5893 85 L 4.0114 7.5405 124.5414 58.8268 42.7742 177.7836 86 I 3.7257 7.7034 119.4700 64.3018 37.1002 178.0345 87 S 4.0835 8.0574 113.5340 61.5990 62.2317 175.9115 88 N 4.3696 7.8918 118.3278 56.2833 38.1933 177.5560 89 I 3.7228 7.8444 121.4060 64.0830 37.0669 177.9928 90 N 4.2109 8.4785 118.3204 56.6374 38.9692 176.7526 91 V 3.5616 7.6808 119.6334 66.4072 31.5092 178.0129 92 I 3.9761 7.6645 120.4593 63.8819 36.9230 178.6330 93 V 3.5603 7.8825 119.1468 66.0059 31.1881 178.1440 94 L 4.2686 8.1489 120.2909 57.0025 40.9178 179.3682 95 E 3.9642 8.0036 118.5442 59.4543 29.2189 179.3937 96 L 4.0631 7.9850 118.0607 56.8592 41.8663 178.7037 97 K 4.4545 7.8583 115.9616 55.1652 33.3203 175.5891 98 G 3.8622 7.3062 106.5713 45.1458 0.0000 174.2616 99 S 4.7225 8.4210 112.2934 58.1070 63.0243 173.6452 100 E 4.7163 7.6061 118.9591 54.4490 33.5152 174.8179 101 T 4.1015 8.5125 116.0354 65.2107 68.4727 174.0425 102 T 4.6117 8.5990 118.7369 61.1699 68.6780 172.9413 103 F 4.6504 7.7606 118.6883 58.5406 41.8741 173.4201 104 M 4.2070 7.1829 126.5480 53.2610 31.3354 176.1662 105 C 4.2198 8.4603 121.1895 57.1105 37.5505 173.3098 106 E 4.5640 8.6046 124.0545 55.0115 31.0797 174.3680 107 Y 5.2204 8.4383 122.4418 56.1045 40.1463 175.4563 108 A 4.2453 8.9728 125.8458 52.5207 18.7144 177.7542 109 D 4.4163 8.8346 119.3407 56.7250 41.3083 176.7767 110 E 4.2284 8.0405 120.4395 55.1681 29.9170 175.9561 111 T 4.3608 8.2151 116.7983 61.5315 70.5060 172.6536 112 A 4.9119 8.6710 122.1556 50.4919 23.4783 175.8366 113 T 4.6394 8.4372 109.5590 61.0412 70.5439 175.7186 114 I 3.2336 8.6025 120.9882 64.1723 37.8449 178.1793 115 V 3.6740 7.7488 112.8868 64.2474 31.4985 177.8519 116 E 3.9512 7.9623 118.9213 59.2072 29.5506 178.6015 117 F 4.2047 8.3191 120.4893 61.4716 39.5060 176.9943 118 L 3.9323 8.2112 118.5055 57.9994 41.3759 179.3880 119 N 4.3596 8.2733 116.3577 56.1262 38.4394 177.3979 120 R 3.7260 8.0354 120.1550 59.3639 30.1826 178.7470 121 W 4.3400 7.7795 118.1892 59.3742 28.8478 178.8378 122 I 3.8295 7.9160 120.2727 64.7321 36.5124 178.3711 123 T 3.8537 8.1237 116.7425 66.5628 68.2247 176.3651 124 F 4.0774 8.3170 122.4528 61.5754 39.3903 177.0068 125 C 4.1019 8.5420 116.3196 62.9221 27.9377 176.1652 126 Q 3.9398 8.3225 119.7968 58.8253 28.0539 178.7122 127 S 3.9845 7.9466 113.2535 61.4269 62.7774 175.9447 128 I 3.6666 7.2762 122.3052 64.4727 36.3980 178.2506 129 I 3.6659 7.8011 120.7018 64.8534 36.7173 178.6695 130 S 4.1535 7.8684 114.5909 61.7215 62.6545 176.5621 131 T 4.0631 7.8015 118.1169 64.7516 69.4746 175.2232 132 L 4.6757 7.2528 121.0807 54.6663 39.7020 176.5715 133 T 4.1840 7.2962 118.8456 64.4783 69.4561 174.4938 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 S 8.19 4.44 0.00 4.02 4.19 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 0.00 0.00 0.00 5 S 7.93 3.95 0.00 3.99 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 6 S 8.73 4.21 0.00 3.93 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 7 T 7.67 3.89 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 1.20 0.00 0.00 8 K 8.45 3.90 0.00 1.89 1.85 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.49 7.81 9 K 7.74 3.93 0.00 2.01 1.96 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.17 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.49 7.81 10 T 7.83 3.85 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 1.21 0.00 0.00 11 Q 8.27 3.94 0.00 2.10 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 12 L 8.07 3.99 0.00 1.88 1.72 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.11 4.01 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 14 L 8.12 4.05 0.00 1.83 1.72 0.88 1.07 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 15 E 8.42 3.98 0.00 2.15 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 2.48 0.00 16 H 8.78 4.19 0.00 3.33 3.27 0.00 5.59 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.41 3.92 0.00 1.86 1.87 0.88 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.21 3.96 0.00 1.82 1.96 0.95 0.48 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 19 L 7.92 4.20 0.00 1.80 1.79 0.91 0.87 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 20 D 8.21 4.46 0.00 2.93 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 21 L 8.03 4.04 0.00 1.93 1.75 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.44 4.08 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 23 M 8.47 4.16 0.00 2.05 2.27 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.59 0.00 24 I 7.79 3.84 2.05 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 1.47 0.76 0.97 0.00 0.00 25 L 8.03 3.99 0.00 1.94 1.87 0.97 0.44 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 26 N 8.65 4.40 0.00 2.79 3.01 0.00 0.00 7.14 8.03 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 27 G 7.83 3.48 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 0.00 28 I 8.08 4.24 2.18 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 1.61 1.06 1.06 0.00 0.00 29 N 8.29 4.36 0.00 2.73 3.10 0.00 0.00 7.20 8.27 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 30 N 7.72 4.97 0.00 2.90 2.87 0.00 0.00 6.93 7.39 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 31 Y 7.57 4.53 0.00 2.93 3.21 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 32 K 7.84 4.29 0.00 1.72 1.70 0.00 1.68 0.00 0.00 1.62 0.00 0.00 3.06 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.45 7.81 33 N 7.36 4.78 0.00 2.08 1.42 0.00 0.00 7.06 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 34 P 0.00 4.21 0.00 2.05 2.09 0.00 3.63 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 35 K 8.63 4.20 0.00 2.02 1.99 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.61 7.81 36 L 8.22 4.18 0.00 1.77 1.73 1.15 1.00 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 37 T 7.85 3.91 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 38 R 7.98 4.08 0.00 2.05 2.06 0.00 3.16 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 39 M 8.71 4.03 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 40 L 8.08 4.39 0.00 1.90 1.76 0.97 0.94 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 41 T 7.84 4.55 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 1.27 0.00 0.00 42 F 7.64 4.41 0.00 2.91 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 43 K 7.78 4.64 0.00 1.27 1.38 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.23 1.25 7.81 44 F 8.78 4.59 0.00 2.93 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 45 Y 9.48 4.70 0.00 2.30 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 0.00 0.00 0.00 0.00 46 M 8.81 5.15 0.00 2.00 2.08 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 2.70 2.62 0.00 47 P 0.00 4.60 0.00 2.08 2.11 0.00 3.67 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.27 0.00 48 K 9.27 4.32 0.00 1.71 1.92 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.44 7.81 49 K 7.84 4.45 0.00 1.73 1.70 0.00 1.51 0.00 0.00 1.74 0.00 0.00 3.17 0.00 0.00 3.52 0.00 0.00 0.00 0.00 1.34 1.25 7.81 50 A 8.19 4.40 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.73 4.70 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 1.23 0.00 0.00 52 E 8.00 4.83 0.00 1.75 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 2.25 2.24 0.00 53 L 8.45 4.28 0.00 1.71 1.77 0.99 0.62 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 54 K 7.95 4.07 0.00 2.19 2.06 0.00 1.63 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.23 1.09 7.81 55 H 7.89 4.18 0.00 3.38 3.23 0.00 5.64 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.81 3.73 0.00 1.84 1.57 1.05 0.61 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 57 Q 7.89 3.97 0.00 2.34 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.78 2.68 0.00 58 C 8.10 4.89 0.00 3.52 3.39 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 59 L 7.21 3.76 0.00 0.27 0.82 0.25 0.17 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 60 E 8.10 3.84 0.00 2.01 2.13 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 2.32 2.35 0.00 61 E 8.23 4.14 0.00 2.23 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 2.42 2.71 0.00 62 E 8.08 4.60 0.00 2.55 2.21 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 2.52 3.08 0.00 63 L 7.95 4.18 0.00 1.84 1.74 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.08 3.94 0.00 1.84 1.83 0.00 1.73 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.52 7.81 65 P 0.00 4.39 0.00 2.14 2.23 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.99 0.00 66 L 8.09 4.21 0.00 2.11 1.99 0.87 0.74 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 67 E 8.37 3.89 0.00 2.08 2.13 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 2.29 2.30 0.00 68 E 8.32 3.84 0.00 2.13 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 2.41 2.24 0.00 69 V 7.47 3.01 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 0.85 0.00 0.00 0.50 0.00 0.00 70 L 7.61 3.52 0.00 1.75 1.53 0.88 0.10 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 71 N 8.28 4.22 0.00 2.88 2.81 0.00 0.00 6.98 6.32 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 72 L 7.69 3.86 0.00 1.57 1.65 0.72 0.90 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 73 A 7.79 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 8.20 4.16 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.67 2.56 0.00 75 S 8.17 4.31 0.00 4.07 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 76 K 7.95 4.67 0.00 1.80 1.98 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.47 7.81 77 N 8.18 4.43 0.00 3.04 3.03 0.00 0.00 7.07 7.45 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 78 F 8.70 4.07 0.00 2.24 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 0.00 0.00 0.00 *83 R 9.03 4.31 0.00 1.84 1.96 0.00 3.26 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 84 D 7.41 4.89 0.00 2.88 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.54 4.01 0.00 1.80 1.72 0.95 1.08 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 86 I 7.70 3.73 1.87 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 1.53 0.82 0.93 0.00 0.00 87 S 8.06 4.08 0.00 3.88 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 88 N 7.89 4.37 0.00 2.95 2.79 0.00 0.00 7.05 7.36 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 89 I 7.84 3.72 2.01 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 1.40 0.72 0.86 0.00 0.00 90 N 8.48 4.21 0.00 2.76 2.94 0.00 0.00 6.81 7.52 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 91 V 7.68 3.56 2.21 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 0.96 0.00 0.00 0.94 0.00 0.00 92 I 7.66 3.98 1.97 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.12 0.95 0.00 0.00 93 V 7.88 3.56 2.20 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 0.95 0.00 0.00 0.86 0.00 0.00 94 L 8.15 4.27 0.00 1.84 1.69 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.00 3.96 0.00 2.19 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 0.00 2.32 2.67 0.00 96 L 7.99 4.06 0.00 1.63 1.76 0.96 0.82 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 97 K 7.86 4.45 0.00 1.96 1.97 0.00 1.49 0.00 0.00 1.73 0.00 0.00 3.21 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.56 7.81 98 G 7.31 3.86 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 0.00 0.00 0.00 99 S 8.42 4.72 0.00 3.87 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 0.00 100 E 7.61 4.72 0.00 1.90 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 2.33 0.00 101 T 8.51 4.10 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 0.00 102 T 8.60 4.61 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 1.32 0.00 0.00 103 F 7.76 4.65 0.00 3.04 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 0.00 104 M 7.18 4.21 0.00 1.83 1.68 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 2.40 2.34 0.00 105 C 8.46 4.22 0.00 2.76 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 0.00 0.00 0.00 106 E 8.60 4.56 0.00 1.85 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 2.34 2.22 0.00 107 Y 8.44 5.22 0.00 3.00 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 0.00 108 A 8.97 4.25 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 0.00 109 D 8.83 4.42 0.00 2.72 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 4.23 0.00 1.94 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 2.28 2.29 0.00 111 T 8.22 4.36 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 0.68 0.00 0.00 112 A 8.67 4.91 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 0.00 113 T 8.44 4.64 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 1.35 0.00 0.00 114 I 8.60 3.23 1.94 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 1.55 0.85 0.95 0.00 0.00 115 V 7.75 3.67 2.13 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 0.83 0.00 0.00 0.98 0.00 0.00 116 E 7.96 3.95 0.00 2.07 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 0.00 2.34 2.35 0.00 117 F 8.32 4.20 0.00 3.15 3.02 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 0.00 118 L 8.21 3.93 0.00 1.79 1.74 0.96 0.69 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 0.00 119 N 8.27 4.36 0.00 3.01 2.86 0.00 0.00 6.67 7.42 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 0.00 120 R 8.04 3.73 0.00 1.82 1.77 0.00 2.94 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.96 0.00 121 W 7.78 4.34 0.00 3.20 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 0.00 122 I 7.92 3.83 2.06 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 1.57 0.73 0.94 0.00 0.00 123 T 8.12 3.85 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 1.19 0.00 0.00 124 F 8.32 4.08 0.00 2.96 3.39 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 0.00 125 C 8.54 4.10 0.00 3.28 3.02 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 0.00 126 Q 8.32 3.94 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 127 S 7.95 3.98 0.00 3.77 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 0.00 128 I 7.28 3.67 1.62 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.30 0.79 0.00 0.00 129 I 7.80 3.67 2.01 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 1.50 0.99 0.89 0.00 0.00 130 S 7.87 4.15 0.00 3.97 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 0.00 131 T 7.80 4.06 4.32 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 1.18 0.00 0.00 132 L 7.25 4.68 0.00 1.70 1.66 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 133 T 7.30 4.18 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 1.20 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.