NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 5.0321 8.4104 110.3365 61.5799 69.1758 171.3673 4 A 4.2232 7.5768 131.4190 53.6732 25.6634 176.3701 5 Y 4.3763 8.4552 112.1670 58.5937 38.7950 174.0671 6 D 4.7282 7.7671 121.8392 55.3373 42.1211 178.8526 7 V 3.7035 7.6439 118.9473 65.0022 32.7566 175.9033 8 I 4.5027 7.5399 120.1379 59.8497 38.0024 175.7834 9 L 4.8311 8.4215 124.6311 55.7076 44.6891 176.6538 10 A 4.6885 7.8009 116.4159 50.6616 22.2813 174.0778 11 P 5.1661 0.0000 0.0000 62.3175 32.5311 176.5989 12 V 3.7907 8.0031 123.6888 61.3010 32.1204 176.0073 13 L 4.5399 8.7000 126.7719 53.6079 41.5092 175.7630 14 S 4.3799 7.1854 115.5758 55.6839 65.5013 176.1872 15 E 3.8042 8.6545 122.5186 59.8499 28.8754 179.8683 16 K 3.8447 7.1297 116.5063 59.2256 32.4683 178.2726 17 A 4.1061 7.5947 121.0028 55.5413 18.3130 179.1039 18 Y 3.5272 7.3383 114.1805 61.6316 37.7500 179.0125 19 A 4.0753 8.3954 120.6468 55.1708 18.7552 179.5149 20 G 3.8005 8.6862 104.7176 47.4808 0.0000 175.9370 21 F 4.1051 9.3528 119.1355 61.5667 39.2119 177.6996 22 A 4.1154 7.3027 121.3406 54.5146 19.9960 176.2332 23 E 4.7402 7.9018 120.1716 56.3887 30.7323 175.7046 24 G 4.8162 9.0495 100.4421 46.6658 0.0000 172.8812 25 K 4.3829 8.1882 123.7505 54.0702 36.0342 171.1796 26 Y 4.7244 7.0396 116.4075 56.0262 41.9484 173.7394 27 T 4.3421 8.2626 111.8793 60.5222 70.5510 173.3774 28 F 5.2621 8.3828 123.8706 54.8546 43.2099 174.8712 29 W 4.3550 8.6457 120.8467 57.8186 29.8013 176.3649 30 V 4.6644 8.3244 126.3361 61.0325 33.4272 174.0601 31 H 4.5951 8.7272 121.0253 55.0647 30.0491 173.3931 32 P 4.2688 0.0000 0.0000 65.3344 31.6555 176.5582 33 K 4.4079 7.5779 116.3420 56.8844 35.0435 175.8005 34 A 3.9904 8.9018 120.9773 53.4936 16.5552 177.4926 35 T 3.7994 9.1452 113.5638 66.0864 67.5529 174.9850 36 K 4.7346 7.2149 118.7511 55.7780 32.1294 175.9548 37 T 3.9477 8.6883 120.9348 66.0584 68.7366 175.0463 38 E 4.6260 7.9184 121.8205 56.5225 29.1360 177.2785 39 I 4.1503 7.6100 110.7306 60.7093 37.7087 177.2940 40 K 4.0610 7.2484 122.0981 60.1648 31.9831 177.3782 41 N 4.4310 7.8294 115.2412 53.1639 37.3177 176.5589 42 A 3.8924 7.5251 123.4873 54.9028 19.4971 179.5770 43 V 3.4139 7.8647 117.3152 66.0585 31.6902 178.1653 44 E 4.0783 8.5376 118.1276 59.2692 29.3295 178.3612 45 T 4.4503 7.3376 109.4791 61.2869 69.7910 174.9950 46 A 4.6510 8.2201 123.1226 53.5078 23.8046 177.8649 47 F 5.1336 7.8704 112.5806 57.5550 40.5215 176.5011 48 K 4.0542 8.0761 115.4059 57.8424 28.4757 173.1729 49 V 4.5477 7.1933 114.6927 59.9746 36.2603 175.7576 50 K 4.5511 8.0927 117.8586 54.2153 31.7961 173.8122 51 V 3.7969 9.1007 120.9393 62.8807 32.0388 175.6921 52 V 4.0860 8.4440 126.6615 63.9870 32.6994 175.5735 53 K 4.6872 7.5561 119.0911 54.7812 35.7814 174.8883 54 V 4.8837 8.4000 125.5601 61.1968 34.2807 174.1494 55 N 5.3172 8.9495 124.6305 51.7097 41.9693 173.6406 56 T 5.1358 8.3078 110.7245 60.2196 71.6781 172.9869 57 L 4.9480 9.5252 124.1178 53.4837 46.2721 175.4906 58 H 4.8789 8.8913 118.3221 54.0122 30.6145 176.6967 59 V 4.4139 9.0819 115.5970 60.2813 31.5936 180.3135 60 R 3.1665 8.9575 122.8037 58.2908 29.1976 175.2151 61 G 3.9436 7.3875 105.4600 46.5234 0.0000 172.1829 62 K 4.8759 8.6947 118.3452 54.5469 32.5140 176.5126 63 K 4.4194 8.1042 125.1938 55.5036 34.5148 175.3472 64 K 4.6500 7.9681 120.6593 55.3366 34.9260 175.5927 65 R 4.1113 8.5642 120.7633 57.2674 30.8307 173.1780 66 L 3.9705 9.2210 125.7767 54.3312 41.4501 174.1628 67 G 4.2392 6.9164 111.5063 45.0465 0.0000 176.9169 68 R 4.9124 9.1493 120.8304 57.1683 32.3681 169.4775 69 Y 3.3442 8.1512 121.6651 58.3513 34.2993 168.3872 70 L 4.4982 8.4807 127.8996 54.0863 45.9912 179.3390 71 G 3.3089 8.8807 108.0487 45.3414 0.0000 174.1423 72 K 4.1906 8.0813 129.7426 55.4564 35.6748 176.6403 73 R 5.6942 7.5412 129.6586 55.5909 30.1663 169.9594 74 P 4.3877 0.0000 0.0000 63.0899 30.7321 173.4418 75 D 4.3078 7.3810 123.5831 52.4481 42.7792 175.4699 76 R 5.0575 9.6139 122.0191 54.0488 32.8907 175.4079 77 K 4.6529 8.0338 117.9020 56.6609 37.0754 172.4881 78 K 4.7112 7.7764 116.8688 54.6032 34.3130 176.2386 79 A 4.4880 8.5308 127.0596 52.1502 18.7529 176.8827 80 I 3.9547 8.8047 121.8936 60.4801 39.6265 172.7332 81 V 3.7736 7.8754 127.8786 61.6788 32.4739 171.0605 82 Q 3.9892 8.4535 127.9822 55.8959 29.3305 176.4774 83 V 3.4956 8.0638 113.6023 65.4526 31.2596 174.7875 84 A 4.1147 9.0444 127.9638 52.0041 16.3971 177.7307 85 P 4.2902 0.0000 0.0000 64.6414 31.4939 176.1689 86 G 4.0663 7.5410 109.5741 45.0833 0.0000 173.0137 87 Q 4.5851 7.7541 122.8885 54.0389 32.1158 174.0234 88 K 3.4604 9.5654 118.1340 58.1791 31.2972 176.5858 89 I 3.4252 8.5746 121.2127 61.4628 35.3511 173.8629 90 E 4.2923 7.3618 121.9933 57.9596 29.5325 177.3820 91 A 4.0481 8.2368 125.5691 53.7306 18.2025 177.5055 92 L 4.4659 7.9766 117.0203 54.1687 43.1242 176.2998 93 E 3.7231 9.5552 121.8321 57.0497 28.2793 175.7786 94 G 3.8445 7.4931 113.6369 46.4193 0.0000 175.3278 *95 L 4.1219 7.7682 122.8733 53.9432 41.6291 178.2186 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 3 T 8.41 5.03 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 1.20 0.00 0.00 4 A 7.58 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 Y 8.46 4.38 0.00 2.95 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 6 D 7.77 4.73 0.00 2.63 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 7 V 7.64 3.70 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 0.94 0.00 0.00 0.85 0.00 0.00 8 I 7.54 4.50 1.65 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.48 0.46 0.00 0.00 9 L 8.42 4.83 0.00 1.94 1.79 1.08 0.88 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 10 A 7.80 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 5.17 0.00 2.16 2.27 0.00 3.93 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 12 V 8.00 3.79 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 0.00 0.00 0.41 0.00 0.00 0.66 0.00 0.00 13 L 8.70 4.54 0.00 1.79 1.88 1.06 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.19 4.38 0.00 3.81 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 15 E 8.65 3.80 0.00 2.01 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 2.42 2.52 0.00 16 K 7.13 3.84 0.00 1.66 1.73 0.00 1.79 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.42 7.81 17 A 7.59 4.11 1.14 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 0.00 0.00 18 Y 7.34 3.53 0.00 2.93 2.47 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 0.00 0.00 0.00 0.00 19 A 8.40 4.08 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 20 G 8.69 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 21 F 9.35 4.11 0.00 2.84 3.29 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 22 A 7.30 4.12 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 23 E 7.90 4.74 0.00 2.05 1.66 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 0.00 2.19 2.26 0.00 24 G 9.05 4.82 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 25 K 8.19 4.38 0.00 1.81 2.01 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.38 0.00 0.00 3.45 0.00 0.00 0.00 0.00 1.11 0.67 7.81 26 Y 7.04 4.72 0.00 2.62 2.35 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 27 T 8.26 4.34 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 1.06 0.00 0.00 28 F 8.38 5.26 0.00 2.88 3.29 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 29 W 8.65 4.36 0.00 3.50 3.23 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 30 V 8.32 4.66 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 1.00 0.00 0.00 1.11 0.00 0.00 31 H 8.73 4.60 0.00 3.19 3.30 0.00 6.02 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.27 0.00 2.00 2.11 0.00 3.78 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 1.75 1.94 0.00 33 K 7.58 4.41 0.00 1.96 2.00 0.00 1.64 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.50 7.81 34 A 8.90 3.99 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 35 T 9.15 3.80 4.66 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 0.00 0.00 0.00 1.30 0.00 0.00 36 K 7.21 4.73 0.00 2.06 2.04 0.00 1.52 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.47 1.67 7.81 37 T 8.69 3.95 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 38 E 7.92 4.63 0.00 1.95 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 2.33 2.38 0.00 39 I 7.61 4.15 1.82 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 1.34 0.98 1.00 0.00 0.00 40 K 7.25 4.06 0.00 1.98 2.11 0.00 1.49 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.47 7.81 41 N 7.83 4.43 0.00 2.96 3.06 0.00 0.00 5.87 7.46 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 42 A 7.53 3.89 1.16 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 0.00 0.00 43 V 7.86 3.41 2.26 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 1.16 0.00 0.00 0.86 0.00 0.00 44 E 8.54 4.08 0.00 2.36 2.19 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 2.44 2.28 0.00 45 T 7.34 4.45 4.15 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 1.21 0.00 0.00 46 A 8.22 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.87 5.13 0.00 3.05 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 48 K 8.08 4.05 0.00 1.89 2.03 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.51 7.81 49 V 7.19 4.55 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 0.74 0.00 0.00 1.07 0.00 0.00 50 K 8.09 4.55 0.00 1.73 1.62 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.39 7.81 51 V 9.10 3.80 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 0.77 0.00 0.00 0.97 0.00 0.00 52 V 8.44 4.09 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 0.83 0.00 0.00 0.95 0.00 0.00 53 K 7.56 4.69 0.00 1.81 1.55 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.76 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.43 7.81 54 V 8.40 4.88 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 0.88 0.00 0.00 1.01 0.00 0.00 55 N 8.95 5.32 0.00 2.67 2.64 0.00 0.00 6.16 6.57 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 56 T 8.31 5.14 4.42 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 1.21 0.00 0.00 57 L 9.53 4.95 0.00 1.57 1.58 0.97 0.98 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 58 H 8.89 4.88 0.00 3.07 3.27 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 9.08 4.41 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 0.92 0.00 0.00 1.21 0.00 0.00 60 R 8.96 3.17 0.00 1.98 2.04 0.00 3.17 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 61 G 7.39 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 62 K 8.69 4.88 0.00 1.50 1.59 0.00 1.56 0.00 0.00 1.39 0.00 0.00 2.13 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.89 1.24 7.81 63 K 8.10 4.42 0.00 1.71 1.74 0.00 1.63 0.00 0.00 1.73 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.51 1.42 7.81 64 K 7.97 4.65 0.00 1.63 1.59 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.41 7.81 65 R 8.56 4.11 0.00 1.74 1.78 0.00 3.49 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.47 0.00 66 L 9.22 3.97 0.00 1.83 1.85 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 67 G 6.92 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 0.00 0.00 0.00 0.00 68 R 9.15 4.91 0.00 1.77 1.93 0.00 2.56 0.00 0.00 3.82 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.22 0.00 69 Y 8.15 3.34 0.00 3.14 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 70 L 8.48 4.50 0.00 1.53 1.93 0.90 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.88 3.31 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 0.00 72 K 8.08 4.19 0.00 1.83 1.79 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.09 1.28 7.81 73 R 7.54 5.69 0.00 2.23 2.31 0.00 3.06 0.00 0.00 3.42 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.42 0.00 74 P 0.00 4.39 0.00 2.40 2.13 0.00 3.67 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.49 0.00 75 D 7.38 4.31 0.00 2.70 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 76 R 9.61 5.06 0.00 1.79 2.44 0.00 2.73 0.00 0.00 2.39 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 77 K 8.03 4.65 0.00 1.78 1.95 0.00 1.52 0.00 0.00 2.36 0.00 0.00 2.78 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.08 0.96 7.81 78 K 7.78 4.71 0.00 1.84 1.85 0.00 1.49 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.28 1.18 7.81 79 A 8.53 4.49 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 80 I 8.80 3.95 1.85 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 1.08 1.75 0.92 0.00 0.00 81 V 7.88 3.77 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 0.79 0.00 0.00 0.90 0.00 0.00 82 Q 8.45 3.99 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 83 V 8.06 3.50 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 0.74 0.00 0.00 0.93 0.00 0.00 84 A 9.04 4.11 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.29 0.00 2.06 2.15 0.00 4.07 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 2.10 2.11 0.00 86 G 7.54 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 87 Q 7.75 4.59 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 5.90 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 88 K 9.57 3.46 0.00 1.92 1.74 0.00 1.64 0.00 0.00 1.86 0.00 0.00 3.06 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.51 1.54 7.81 89 I 8.57 3.43 1.99 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 1.42 0.30 0.96 0.00 0.00 90 E 7.36 4.29 0.00 2.10 1.84 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 2.48 2.66 0.00 91 A 8.24 4.05 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 92 L 7.98 4.47 0.00 1.80 1.57 0.99 0.65 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 93 E 9.56 3.72 0.00 1.95 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 2.07 1.89 0.00 94 G 7.49 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 *95 L 7.77 4.12 0.00 1.42 1.50 0.92 0.72 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 * Residues marked with a * may have inaccurate shift predictions.