NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 H 4.6382 8.3033 120.3899 55.9012 30.9277 172.1180 8 K 4.2307 8.1026 126.1218 54.5497 33.8096 175.0530 9 G 4.2805 9.5534 111.7965 45.8675 0.0000 172.6119 10 T 4.6304 9.0189 117.0652 61.3895 71.3486 174.0530 11 L 4.7026 8.5971 128.6413 54.3823 43.0846 174.7719 12 Y 4.8812 8.8959 125.9338 57.0425 39.7288 174.9633 13 V 4.5947 8.7720 124.9989 61.4552 33.4848 174.5878 14 V 4.6968 8.9345 128.5123 60.9487 34.0520 174.5866 15 A 4.8407 9.0528 129.7457 51.2033 19.7785 176.1763 16 T 4.7340 7.8953 110.9908 59.1363 71.2950 172.7356 17 P 4.6919 0.0000 0.0000 62.1635 32.4388 176.0697 18 L 4.2225 8.2693 119.6102 55.6607 43.3193 179.1479 19 G 3.6868 8.1665 110.4687 46.7385 0.0000 176.3951 20 N 4.4050 8.6710 127.7070 52.7837 38.5664 175.3243 21 L 4.1277 8.3420 126.4826 57.4536 41.8305 178.0744 22 D 4.6628 8.6022 117.6891 55.9734 40.8835 177.1920 23 D 4.5436 7.7649 121.0250 53.1803 39.3165 176.1482 *25 T 4.1910 7.5723 112.9601 61.1146 71.5781 174.8681 26 F 3.8063 8.7017 120.5045 60.4948 39.0883 177.7468 27 R 3.8164 8.1430 117.7155 59.4736 29.4922 178.2263 28 A 3.8792 7.9118 120.3153 55.2501 18.4166 179.8566 29 V 3.3278 7.5378 116.7125 65.8505 31.4554 177.8646 30 N 4.2760 8.4378 117.1249 56.5236 38.1079 177.3740 31 T 3.6204 7.3649 109.8727 64.5351 68.8898 176.4024 32 L 4.1127 7.4794 120.5698 57.7442 41.4433 179.6733 33 R 3.9399 7.8269 116.8641 58.7653 30.0917 177.9407 34 N 4.6374 7.9869 113.2380 52.4875 39.3763 175.2725 35 A 4.4626 7.1744 124.6173 51.6841 19.2718 178.1992 36 G 3.8942 8.9786 109.3170 49.0009 0.0000 173.5587 37 A 4.8948 7.7724 119.7720 51.0100 23.0856 175.1372 38 I 4.8212 8.6940 120.3894 59.5247 40.0075 174.6773 39 A 5.2384 9.2175 130.4219 50.9386 20.6374 175.6998 40 C 5.1819 9.0495 116.3417 57.1607 33.4836 174.2928 41 E 3.8450 8.2886 117.2460 56.1321 30.4597 176.1976 42 D 4.4954 7.6303 119.5986 51.4731 42.4804 175.2401 43 T 3.8771 8.3760 118.0812 64.4062 68.8088 176.1545 44 R 3.8289 7.9639 120.9711 59.4694 30.2563 178.6523 45 R 3.9732 8.3568 117.7659 59.4393 29.9679 179.2486 46 T 3.9148 8.0400 115.6412 66.6973 68.3570 176.8719 47 S 4.1371 8.5720 117.4552 61.6584 62.8321 176.7672 48 I 3.6736 7.8089 122.4405 64.2399 36.4775 178.1607 49 L 3.9902 8.0211 121.0128 58.2633 41.8971 179.0728 50 L 4.1237 8.1572 118.9527 57.7380 41.5751 179.4305 51 K 3.9160 8.3965 119.8923 59.7062 31.8888 178.1156 52 H 3.9058 8.1356 117.6890 58.8167 29.7164 176.2017 53 F 4.7162 7.6227 115.9081 56.4233 39.0472 176.0766 54 G 3.7977 7.7960 106.3908 46.4957 0.0000 174.1015 55 I 4.2221 7.9637 121.5185 59.7460 37.0335 175.2540 56 E 4.6289 8.6800 124.7932 55.5747 31.8424 177.0139 57 G 3.9749 8.8169 109.0491 45.2676 0.0000 173.9776 58 K 4.1357 7.6213 119.3043 55.9186 32.9066 176.5153 59 R 4.1626 8.5459 124.1061 56.2930 31.2697 174.7085 60 L 5.0516 8.5233 126.1030 53.2095 43.8291 175.9580 61 V 4.2585 8.8558 124.1324 60.8342 33.2889 174.7635 62 S 4.5336 8.8041 124.0694 58.2531 62.9170 173.6188 63 Y 4.9503 7.5722 126.6602 56.8681 38.4215 176.0549 64 H 4.4148 7.8525 116.0752 57.0042 29.8256 176.6170 65 S 4.2726 9.0366 118.2419 62.2178 62.9887 176.7668 66 F 4.1804 8.5957 120.5296 61.4070 39.2105 176.1533 67 N 4.6273 7.8969 115.4131 52.7879 37.2051 176.1269 68 E 3.9560 8.0997 124.2196 60.0891 29.6684 178.6703 69 E 3.9360 8.0986 117.8837 59.5045 29.5587 179.2923 70 R 3.8539 7.8680 117.8692 59.3124 30.2617 178.2139 71 A 4.1726 8.1149 120.6497 55.0583 18.2852 179.7132 72 V 3.4808 8.2140 117.1816 66.1650 31.5695 178.0329 73 R 3.8611 7.9901 118.3259 59.7362 29.9721 178.3796 74 Q 3.9749 8.1626 117.6038 59.0131 28.7039 179.1097 75 V 3.6352 7.9847 119.2378 65.8968 31.5337 178.1035 76 I 3.6810 8.0687 119.9809 64.4061 36.9491 178.1344 77 E 3.9590 8.3548 119.4278 59.4516 29.3349 179.4966 78 L 3.9965 7.8065 118.4922 57.8177 41.6767 179.5576 79 L 4.1877 8.0084 118.8683 58.0291 41.3602 179.5471 80 E 4.1288 8.3901 117.5568 58.8881 29.4840 178.3568 81 E 4.2951 7.9227 116.6120 56.7885 29.7759 177.4216 82 G 4.0690 8.1314 107.3361 45.3377 0.0000 173.1414 83 S 4.8410 8.0303 116.1347 56.8115 65.0317 173.8589 84 D 5.0930 8.6804 123.1624 54.4259 42.3863 175.2710 85 V 4.9303 8.6879 120.0024 61.1675 35.2535 173.9043 86 A 5.1464 8.5673 128.9470 50.3725 21.2951 175.3234 87 L 5.0535 9.4113 125.8201 53.5536 44.2847 175.1228 88 V 4.9674 8.9535 127.9842 61.5018 32.2135 174.7407 89 T 4.8464 8.5454 118.4382 60.2312 71.0256 174.0761 90 D 4.7035 8.8161 122.7503 54.3894 41.6139 176.4881 91 A 4.6362 8.1719 124.2477 51.5638 19.0045 176.3748 92 G 4.2631 7.5791 108.2053 44.0488 0.0000 172.9240 93 T 4.4657 7.7041 116.5196 59.7648 69.8857 172.0058 94 P 4.4643 0.0000 0.0000 62.2567 32.4364 175.1702 95 A 4.6310 8.3261 122.1339 50.4774 20.3962 176.2293 96 I 4.1738 8.2434 124.4457 60.4469 38.4615 176.6319 97 S 4.3943 8.2692 119.7365 56.3086 63.9281 173.7908 98 D 4.4120 8.7243 129.5043 56.9635 40.9319 176.0088 99 P 4.5943 0.0000 0.0000 64.8811 31.4454 178.4842 100 G 3.1519 8.0861 103.8618 47.6711 0.0000 174.6943 101 Y 4.2817 8.0720 122.2332 60.6248 38.7556 178.9589 102 T 3.7230 7.9522 113.0705 64.3859 68.5672 175.6856 *104 A 4.1496 7.9279 125.9002 52.3667 20.6545 179.9593 105 S 3.9018 8.1272 111.9742 61.6661 62.8479 176.9052 106 A 3.8897 7.8941 123.0887 54.9993 18.0799 179.5620 107 A 3.8793 7.7852 118.8278 55.5130 18.4972 179.1862 108 H 4.0700 8.3086 116.5541 59.3767 29.7274 177.3580 109 A 3.8823 8.1205 121.6601 54.7975 18.2684 178.6296 110 A 4.2283 7.6842 116.4837 52.3113 18.6862 178.1379 111 G 3.7619 7.8531 105.5054 45.6341 0.0000 173.5786 112 L 4.5251 7.5770 118.6077 52.5052 43.2803 175.0875 113 P 4.3294 0.0000 0.0000 62.6368 32.5400 175.3141 114 V 4.6299 8.3079 124.0046 60.9886 33.9428 174.6232 115 V 4.4416 8.5571 128.4309 60.1976 33.9748 172.8487 116 P 4.8300 0.0000 0.0000 62.8201 32.3321 175.7098 117 V 4.3411 8.4290 123.2417 60.5076 32.5956 173.9779 118 P 4.4086 0.0000 0.0000 63.0656 31.9437 176.5554 119 G 3.7386 8.3491 109.6114 46.0629 0.0000 172.5041 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 7 H 8.30 4.64 0.00 3.18 3.25 0.00 5.62 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.10 4.23 0.00 1.66 1.65 0.00 1.91 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.41 7.81 9 G 9.55 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 0.00 0.00 0.00 0.00 10 T 9.02 4.63 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 0.27 0.00 0.00 11 L 8.60 4.70 0.00 1.65 1.45 0.97 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 8.90 4.88 0.00 2.96 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 13 V 8.77 4.59 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 1.03 0.00 0.00 0.91 0.00 0.00 14 V 8.93 4.70 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 0.90 0.00 0.00 0.97 0.00 0.00 15 A 9.05 4.84 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 16 T 7.90 4.73 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 1.24 0.00 0.00 17 P 0.00 4.69 0.00 2.21 2.10 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 18 L 8.27 4.22 0.00 1.66 1.64 0.93 0.90 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 19 G 8.17 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 20 N 8.67 4.40 0.00 2.72 2.72 0.00 0.00 6.92 6.66 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 21 L 8.34 4.13 0.00 1.16 1.61 0.75 1.14 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 22 D 8.60 4.66 0.00 2.77 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.76 4.54 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 *25 T 7.57 4.19 4.29 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 1.23 0.00 0.00 26 F 8.70 3.81 0.00 3.10 3.13 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 0.00 27 R 8.14 3.82 0.00 1.87 1.92 0.00 3.18 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 28 A 7.91 3.88 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 29 V 7.54 3.33 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 0.48 0.00 0.00 -0.24 0.00 0.00 30 N 8.44 4.28 0.00 2.89 2.77 0.00 0.00 6.71 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 31 T 7.36 3.62 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 0.63 0.00 0.00 32 L 7.48 4.11 0.00 1.80 1.74 0.85 0.87 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 33 R 7.83 3.94 0.00 1.86 1.98 0.00 3.24 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 34 N 7.99 4.64 0.00 2.72 2.86 0.00 0.00 7.02 6.89 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 35 A 7.17 4.46 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 36 G 8.98 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 0.00 0.00 0.00 37 A 7.77 4.89 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 38 I 8.69 4.82 1.90 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 1.19 0.76 0.99 0.00 0.00 39 A 9.22 5.24 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 40 C 9.05 5.18 0.00 2.86 2.99 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 41 E 8.29 3.85 0.00 1.40 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 1.82 1.47 0.00 42 D 7.63 4.50 0.00 2.63 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 43 T 8.38 3.88 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 1.18 0.00 0.00 44 R 7.96 3.83 0.00 1.89 2.10 0.00 3.17 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 45 R 8.36 3.97 0.00 1.87 1.96 0.00 3.34 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.85 0.00 46 T 8.04 3.91 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 1.23 0.00 0.00 47 S 8.57 4.14 0.00 3.95 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 48 I 7.81 3.67 2.03 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 1.40 0.76 0.89 0.00 0.00 49 L 8.02 3.99 0.00 1.82 1.98 1.12 0.51 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 50 L 8.16 4.12 0.00 1.90 1.96 0.95 0.82 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 51 K 8.40 3.92 0.00 1.86 1.99 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.44 7.81 52 H 8.14 3.91 0.00 3.05 3.20 0.00 5.99 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 7.62 4.72 0.00 3.10 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 54 G 7.80 3.80 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 0.00 0.00 0.00 55 I 7.96 4.22 1.93 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 1.33 0.89 0.93 0.00 0.00 56 E 8.68 4.63 0.00 1.94 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 2.22 2.28 0.00 57 G 8.82 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 0.00 0.00 0.00 58 K 7.62 4.14 0.00 1.78 1.78 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.38 7.81 59 R 8.55 4.16 0.00 1.91 1.81 0.00 3.17 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 60 L 8.52 5.05 0.00 1.56 1.57 0.92 0.90 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 61 V 8.86 4.26 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 1.11 0.00 0.00 0.96 0.00 0.00 62 S 8.80 4.53 0.00 3.91 3.79 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 63 Y 7.57 4.95 0.00 2.91 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 64 H 7.85 4.41 0.00 3.52 3.33 0.00 5.85 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 9.04 4.27 0.00 3.99 4.03 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 66 F 8.60 4.18 0.00 2.94 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 67 N 7.90 4.63 0.00 3.04 3.11 0.00 0.00 6.69 7.54 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 68 E 8.10 3.96 0.00 2.24 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 2.32 2.41 0.00 69 E 8.10 3.94 0.00 1.97 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 0.00 2.36 2.32 0.00 70 R 7.87 3.85 0.00 1.82 2.06 0.00 3.17 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 71 A 8.11 4.17 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 72 V 8.21 3.48 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 1.03 0.00 0.00 0.95 0.00 0.00 73 R 7.99 3.86 0.00 1.91 2.03 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 74 Q 8.16 3.97 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.60 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 75 V 7.98 3.64 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 1.01 0.00 0.00 1.01 0.00 0.00 76 I 8.07 3.68 1.85 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 1.75 0.74 0.88 0.00 0.00 77 E 8.35 3.96 0.00 2.14 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 2.46 2.50 0.00 78 L 7.81 4.00 0.00 1.88 1.73 0.94 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.01 4.19 0.00 1.79 1.68 0.87 0.84 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 80 E 8.39 4.13 0.00 1.90 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 2.49 2.47 0.00 81 E 7.92 4.30 0.00 2.16 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 2.43 0.00 82 G 8.13 4.07 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 0.00 0.00 0.00 83 S 8.03 4.84 0.00 3.95 3.80 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 84 D 8.68 5.09 0.00 2.74 2.90 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 85 V 8.69 4.93 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 1.11 0.00 0.00 0.95 0.00 0.00 86 A 8.57 5.15 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 87 L 9.41 5.05 0.00 1.70 1.68 0.78 0.93 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 88 V 8.95 4.97 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 0.97 0.00 0.00 0.98 0.00 0.00 89 T 8.55 4.85 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 1.30 0.00 0.00 90 D 8.82 4.70 0.00 2.59 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 91 A 8.17 4.64 1.27 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 0.00 0.00 92 G 7.58 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 93 T 7.70 4.47 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 1.22 0.00 0.00 94 P 0.00 4.46 0.00 2.22 2.03 0.00 3.78 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 1.98 1.96 0.00 95 A 8.33 4.63 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 96 I 8.24 4.17 1.89 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 1.30 0.89 0.91 0.00 0.00 97 S 8.27 4.39 0.00 3.97 3.79 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 98 D 8.72 4.41 0.00 2.86 2.71 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 99 P 0.00 4.59 0.00 2.42 2.64 0.00 3.87 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.13 0.00 100 G 8.09 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 0.00 0.00 0.00 101 Y 8.07 4.28 0.00 3.06 3.17 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 0.00 102 T 7.95 3.72 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 1.17 0.00 0.00 *104 A 7.93 4.15 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 0.00 105 S 8.13 3.90 0.00 3.61 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 0.00 106 A 7.89 3.89 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 0.00 107 A 7.79 3.88 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 0.00 108 H 8.31 4.07 0.00 3.18 3.40 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.12 3.88 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 0.00 110 A 7.68 4.23 1.33 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 0.00 0.00 0.00 111 G 7.85 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.58 4.53 0.00 1.62 1.53 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.33 0.00 1.92 1.89 0.00 3.63 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 114 V 8.31 4.63 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 0.74 0.00 0.00 0.89 0.00 0.00 115 V 8.56 4.44 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 1.16 0.00 0.00 0.78 0.00 0.00 116 P 0.00 4.83 0.00 2.14 2.05 0.00 3.81 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 2.00 1.97 0.00 117 V 8.43 4.34 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 0.77 0.00 0.00 1.02 0.00 0.00 118 P 0.00 4.41 0.00 2.09 1.99 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 119 G 8.35 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 * Residues marked with a * may have inaccurate shift predictions.