NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.5859 8.3193 115.3065 57.4809 64.6485 174.1367 7 N 4.7932 7.6505 117.8123 48.5616 40.4057 173.4497 8 P 3.6903 0.0000 0.0000 65.5745 31.5978 179.9508 9 E 3.7906 7.8549 118.0339 59.5009 29.4465 178.8693 10 D 4.3527 8.2580 118.3801 57.1590 40.9706 178.3993 11 L 4.1005 7.9449 120.7864 57.9487 42.0485 178.9441 12 A 4.0021 8.1662 120.9770 55.1583 18.2748 179.8382 13 K 3.9380 8.0078 117.0455 59.5436 32.0701 179.5205 14 N 4.3495 8.4176 116.8665 56.1783 38.4926 176.8826 15 F 3.0217 7.9141 122.0986 61.5471 39.1992 177.5054 16 T 3.5831 7.7738 114.7723 66.3254 68.0496 176.3265 17 K 3.8180 7.9758 120.5750 60.0498 32.4603 178.1346 18 D 4.4741 8.4362 119.1931 57.1182 40.4723 178.3498 19 L 3.6345 7.6922 120.5911 57.7826 41.9711 177.7243 20 Y 4.3313 7.4566 113.5092 57.9521 38.1887 176.6480 21 S 4.6164 7.9760 115.1494 57.7733 63.8156 175.0634 22 G 3.7409 8.0363 110.0721 45.7445 0.0000 172.7943 23 D 4.7749 7.5222 119.3833 52.3584 41.6625 176.8682 24 T 3.9742 8.4884 124.4259 66.4702 68.8527 176.6252 25 K 4.1482 8.0826 119.5578 59.5964 32.4530 178.5971 26 S 4.2976 8.3611 113.8729 61.8606 63.1377 177.1711 27 V 3.8987 7.6858 117.7618 63.5829 30.7976 177.6087 *29 S 4.4628 8.0516 114.2303 57.9152 64.7257 174.2862 30 Y 4.3341 8.1029 117.7905 60.0000 38.7482 175.6951 31 I 4.6278 7.7670 119.9797 60.2280 38.6519 175.1084 32 D 4.5338 8.7555 127.2337 53.1928 41.1877 175.5784 33 L 4.6647 8.3252 126.9969 55.1210 42.2364 179.4435 34 S 3.9313 8.3696 120.7846 62.1496 63.0438 176.6127 35 E 4.0097 8.2714 115.3196 58.6940 29.5373 180.1701 36 A 4.3690 7.3129 123.0661 51.8523 16.5443 176.5351 37 K 4.5891 8.4090 121.9436 56.4412 32.8269 177.6566 38 S 4.7043 7.5939 112.4266 55.9290 67.1327 173.7690 39 D 4.3424 8.6602 122.7492 57.7098 40.6217 178.7440 40 E 4.0062 8.1800 119.2109 59.2124 29.5614 178.6022 41 E 4.0241 8.4608 118.7908 59.3289 29.5086 179.1976 42 K 3.9359 8.2604 118.6498 60.0455 32.1860 179.3999 43 T 3.8905 8.3503 116.1238 66.5041 68.3717 176.3218 44 F 4.0122 8.4473 122.5901 61.3530 39.3519 177.3729 45 V 3.5678 8.2123 117.9553 66.0456 31.3826 177.8622 46 S 4.0696 8.4340 113.2696 61.5668 62.3415 175.8618 47 D 4.3529 8.5666 121.8634 57.2675 40.4822 178.9833 48 K 3.8529 7.8032 118.9779 59.2749 32.0018 179.5686 49 I 3.6547 7.9107 120.1793 64.7288 37.1044 178.2603 50 T 3.8596 8.2973 116.9589 66.9861 68.3087 176.2323 51 Q 3.8760 7.7954 120.4831 59.0411 29.1138 178.0628 52 V 3.5018 8.0463 119.7135 65.9907 31.5541 177.9921 53 V 3.3887 8.1582 117.9462 65.9819 31.3586 177.6222 54 A 3.9743 7.9354 120.3090 55.3988 18.1871 179.5544 55 E 3.9045 8.2083 116.8494 59.6645 29.5253 179.3836 56 N 4.3675 8.5035 116.7724 55.9948 38.4532 177.4035 57 A 4.0103 8.1079 122.1107 55.1232 18.5238 179.5325 58 A 3.9290 8.0217 119.3293 55.1170 18.2109 179.8322 59 K 3.8130 7.9435 116.9540 59.4695 32.6144 178.5230 60 A 4.1531 8.4980 121.5384 55.0237 18.1116 179.3319 61 K 3.8594 7.7611 116.7865 59.6710 32.3966 181.2357 62 R 4.1486 7.6839 116.9509 55.9069 30.1678 177.6802 *64 G 3.7351 7.9881 105.2382 44.7487 0.0000 174.8162 65 G 4.1261 8.7648 104.8586 45.0635 0.0000 173.4409 66 V 3.8600 8.0071 119.1996 62.4981 32.2714 175.7170 67 K 4.2784 9.0413 129.7470 58.8414 32.7063 175.9464 68 D 4.6427 7.4047 116.7770 53.3522 44.7740 173.5201 69 I 5.0092 8.0827 122.2644 59.7153 40.4772 174.8535 70 Q 4.6038 9.1762 124.2819 54.5871 33.8727 173.4349 71 I 4.6538 8.2256 121.3634 60.0342 38.6493 174.8147 72 E 4.4623 9.0838 127.7133 57.3040 31.1714 175.8777 73 E 4.9621 7.8594 117.0574 54.5381 34.1183 174.7668 74 K 4.9747 8.3566 120.1217 56.0717 36.0256 175.7178 75 T 4.5687 8.9136 118.3798 62.2625 72.3056 172.9779 76 I 5.1073 8.4105 126.9152 59.5879 40.6676 174.5867 77 N 5.2399 9.2212 124.1293 50.4697 40.2907 174.8343 78 K 3.9462 8.8924 116.4441 59.8679 32.5403 176.9168 79 D 4.5624 8.1561 116.0686 52.3315 41.2610 175.2527 80 S 5.5401 8.9875 112.9989 58.0416 67.0335 172.8880 81 A 5.1141 8.8563 121.0973 50.7904 23.1005 175.1595 82 K 4.5616 9.1739 123.3248 54.4962 35.5186 174.9886 83 I 4.7508 8.2569 127.6108 59.4353 41.0559 174.5847 84 R 4.6680 8.8417 129.1834 55.0114 31.1548 175.1652 85 V 4.3996 8.5341 128.0073 61.6010 33.2775 174.2320 86 L 4.7666 9.1699 131.5029 53.8819 43.5890 175.0296 87 V 4.2629 8.7877 127.3152 61.3634 33.3197 174.2312 88 L 5.0036 8.5052 128.0622 52.3285 43.9244 175.8283 89 F 5.1960 8.7723 122.5760 55.8779 41.1103 177.0159 90 N 4.5032 9.2132 118.9818 55.6679 38.4693 176.0185 91 N 4.5867 8.1516 114.1826 52.9609 37.4118 175.4632 92 D 4.6783 8.2427 117.1829 54.8324 39.3340 173.6122 93 N 4.9486 8.3243 117.4168 52.4686 40.4060 173.9736 94 N 5.5871 8.6671 118.0334 51.8016 43.2592 173.2960 95 Q 4.8096 9.1026 119.3613 54.4733 33.4554 174.2815 96 S 5.6153 8.6460 116.1523 55.9927 66.7514 172.6001 97 S 4.6188 8.1115 113.3531 57.8488 66.2870 173.5139 98 N 4.9745 8.5290 117.9183 52.6860 40.0513 174.3468 99 V 4.2357 8.7306 123.9513 61.3579 33.8169 174.2605 100 F 5.1371 8.8387 126.4244 56.2114 41.1207 174.8474 101 L 5.5254 9.2487 122.3970 53.2000 46.3772 175.2630 102 A 5.1200 9.0584 121.0700 50.6583 23.1335 175.4805 103 K 4.5942 7.9585 122.7397 53.8999 31.5528 176.1808 104 K 4.1480 8.4240 125.9347 58.2955 34.1569 177.8562 105 D 4.6136 7.9752 112.0820 54.3360 40.7765 176.5541 106 R 4.5168 8.9589 111.8749 55.0119 30.9503 173.9553 107 K 4.5538 7.5174 117.1925 54.2761 35.4542 174.9403 108 W 4.6416 8.9530 127.7408 56.9078 30.1143 175.6944 109 L 4.9904 8.9562 122.2130 53.0344 46.2751 175.7481 110 V 4.1194 8.8812 123.2828 62.9576 32.5711 174.8086 111 L 4.8538 8.8593 127.9412 53.1715 43.3326 176.7131 112 L 4.1633 8.5582 123.3006 54.5143 41.4551 177.2974 113 K 4.0891 8.5924 122.4097 56.8244 32.8395 176.5090 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 6 S 8.32 4.59 0.00 3.92 4.02 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 7 N 7.65 4.79 0.00 3.03 2.89 0.00 0.00 6.04 6.88 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 8 P 0.00 3.69 0.00 1.54 0.49 0.00 3.32 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.51 0.00 9 E 7.85 3.79 0.00 2.08 1.95 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 2.31 2.33 0.00 10 D 8.26 4.35 0.00 2.79 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 11 L 7.94 4.10 0.00 1.81 1.76 1.13 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.17 4.00 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 13 K 8.01 3.94 0.00 1.82 1.85 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.67 7.81 14 N 8.42 4.35 0.00 2.97 3.11 0.00 0.00 6.62 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 15 F 7.91 3.02 0.00 2.46 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 16 T 7.77 3.58 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 1.25 0.00 0.00 17 K 7.98 3.82 0.00 1.97 2.04 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.38 7.81 18 D 8.44 4.47 0.00 2.75 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 19 L 7.69 3.63 0.00 1.11 1.39 0.54 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 7.46 4.33 0.00 2.94 3.04 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 21 S 7.98 4.62 0.00 4.05 4.18 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 22 G 8.04 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 23 D 7.52 4.77 0.00 2.76 2.57 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 0.00 24 T 8.49 3.97 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 1.21 0.00 0.00 25 K 8.08 4.15 0.00 1.76 1.90 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.42 7.81 26 S 8.36 4.30 0.00 4.15 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 0.00 27 V 7.69 3.90 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 1.05 0.00 0.00 0.90 0.00 0.00 *29 S 8.05 4.46 0.00 3.94 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.10 4.33 0.00 3.20 2.93 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 0.00 0.00 0.00 0.00 31 I 7.77 4.63 1.95 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.86 0.96 0.00 0.00 32 D 8.76 4.53 0.00 2.71 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 33 L 8.33 4.66 0.00 1.76 1.67 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.37 3.93 0.00 3.88 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 35 E 8.27 4.01 0.00 1.98 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 0.00 2.23 1.88 0.00 36 A 7.31 4.37 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 37 K 8.41 4.59 0.00 1.73 1.82 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.50 7.81 38 S 7.59 4.70 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 39 D 8.66 4.34 0.00 2.72 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.18 4.01 0.00 2.05 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 0.00 2.39 2.45 0.00 41 E 8.46 4.02 0.00 2.25 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 2.29 2.33 0.00 42 K 8.26 3.94 0.00 1.96 1.90 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.50 1.53 7.81 43 T 8.35 3.89 4.46 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 1.29 0.00 0.00 44 F 8.45 4.01 0.00 3.26 3.28 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 45 V 8.21 3.57 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 1.05 0.00 0.00 1.11 0.00 0.00 46 S 8.43 4.07 0.00 3.99 3.96 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 47 D 8.57 4.35 0.00 2.62 2.57 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 0.00 48 K 7.80 3.85 0.00 1.85 1.73 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.46 1.35 7.81 49 I 7.91 3.65 1.98 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 1.69 0.84 0.94 0.00 0.00 50 T 8.30 3.86 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 1.18 0.00 0.00 51 Q 7.80 3.88 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 52 V 8.05 3.50 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 0.87 0.00 0.00 0.92 0.00 0.00 53 V 8.16 3.39 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 0.90 0.00 0.00 0.88 0.00 0.00 54 A 7.94 3.97 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 55 E 8.21 3.90 0.00 2.15 1.97 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 2.30 2.38 0.00 56 N 8.50 4.37 0.00 2.42 2.07 0.00 0.00 6.94 7.47 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 57 A 8.11 4.01 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 58 A 8.02 3.93 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 59 K 7.94 3.81 0.00 1.84 2.11 0.00 1.87 0.00 0.00 1.89 0.00 0.00 3.16 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.24 1.36 7.81 60 A 8.50 4.15 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.76 3.86 0.00 2.15 2.05 0.00 1.93 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.46 1.36 7.81 62 R 7.68 4.15 0.00 1.76 1.87 0.00 3.22 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 *64 G 7.99 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 65 G 8.76 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 0.00 0.00 0.00 0.00 66 V 8.01 3.86 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 0.62 0.00 0.00 0.75 0.00 0.00 67 K 9.04 4.28 0.00 1.90 1.79 0.00 1.88 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.35 7.81 68 D 7.40 4.64 0.00 2.73 2.34 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 69 I 8.08 5.01 1.80 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.66 0.83 0.00 0.00 70 Q 9.18 4.60 0.00 1.86 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.78 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 71 I 8.23 4.65 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.52 0.85 0.00 0.00 72 E 9.08 4.46 0.00 1.91 1.90 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 2.20 2.23 0.00 73 E 7.86 4.96 0.00 1.85 1.71 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 2.26 2.25 0.00 74 K 8.36 4.97 0.00 1.62 1.64 0.00 1.45 0.00 0.00 1.63 0.00 0.00 2.70 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.42 7.81 75 T 8.91 4.57 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 76 I 8.41 5.11 1.83 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.50 0.87 0.00 0.00 77 N 9.22 5.24 0.00 2.93 2.97 0.00 0.00 6.36 7.12 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 78 K 8.89 3.95 0.00 1.91 2.05 0.00 1.51 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.43 7.81 79 D 8.16 4.56 0.00 2.54 2.68 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 80 S 8.99 5.54 0.00 4.04 4.05 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 81 A 8.86 5.11 1.07 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 82 K 9.17 4.56 0.00 1.68 1.54 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.00 0.39 7.81 83 I 8.26 4.75 1.73 0.00 0.00 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 0.97 0.32 0.81 0.00 0.00 84 R 8.84 4.67 0.00 1.97 1.84 0.00 3.21 0.00 0.00 3.28 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.38 0.00 85 V 8.53 4.40 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 0.81 0.00 0.00 0.91 0.00 0.00 86 L 9.17 4.77 0.00 1.71 1.56 0.89 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 87 V 8.79 4.26 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 0.58 0.00 0.00 88 L 8.51 5.00 0.00 1.46 1.47 0.88 0.97 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 89 F 8.77 5.20 0.00 3.15 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 90 N 9.21 4.50 0.00 2.80 2.90 0.00 0.00 6.99 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 91 N 8.15 4.59 0.00 2.82 2.91 0.00 0.00 6.17 8.06 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 92 D 8.24 4.68 0.00 2.91 2.91 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 93 N 8.32 4.95 0.00 2.94 2.78 0.00 0.00 6.75 6.43 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 94 N 8.67 5.59 0.00 2.58 2.69 0.00 0.00 6.78 7.41 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 95 Q 9.10 4.81 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 96 S 8.65 5.62 0.00 3.87 3.75 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 97 S 8.11 4.62 0.00 3.92 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 98 N 8.53 4.97 0.00 2.64 2.16 0.00 0.00 6.32 7.68 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 99 V 8.73 4.24 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 0.89 0.00 0.00 1.05 0.00 0.00 100 F 8.84 5.14 0.00 3.08 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 0.00 101 L 9.25 5.53 0.00 1.74 1.89 0.85 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 102 A 9.06 5.12 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 0.00 103 K 7.96 4.59 0.00 0.79 0.80 0.00 0.76 0.00 0.00 1.13 0.00 0.00 2.49 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.02 0.40 7.81 104 K 8.42 4.15 0.00 1.73 1.79 0.00 1.83 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.37 7.81 105 D 7.98 4.61 0.00 2.54 1.88 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 0.00 106 R 8.96 4.52 0.00 1.98 1.80 0.00 3.39 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.13 0.00 107 K 7.52 4.55 0.00 1.79 1.55 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.49 7.81 108 W 8.95 4.64 0.00 3.22 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 0.00 109 L 8.96 4.99 0.00 1.60 1.63 0.93 0.63 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 0.00 110 V 8.88 4.12 1.64 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 0.48 0.00 0.00 0.10 0.00 0.00 111 L 8.86 4.85 0.00 1.60 1.59 1.00 0.99 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 0.00 112 L 8.56 4.16 0.00 1.66 1.68 0.97 0.95 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 0.00 113 K 8.59 4.09 0.00 1.75 1.59 0.00 1.74 0.00 0.00 2.11 0.00 0.00 3.30 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.52 7.81 * Residues marked with a * may have inaccurate shift predictions.