NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 N 4.7074 8.4249 119.2099 52.9729 40.2006 173.3221 5 D 4.5183 8.3849 119.4511 53.4685 41.4052 175.4289 6 A 4.5654 8.6659 124.4881 52.4422 20.2829 175.8867 7 M 5.2498 9.0023 117.6925 53.5107 35.7723 173.6321 8 L 4.3701 8.2906 120.9642 53.4078 44.1939 175.0325 9 V 4.4345 8.2533 126.5125 60.8549 33.8761 173.8018 10 L 4.8486 8.6691 130.7402 54.1174 43.6743 174.9987 11 I 5.0281 9.1483 127.7906 59.8192 39.8479 174.4901 12 S 4.8678 9.3051 123.6367 56.9919 63.9340 172.3351 13 Y 5.1546 8.8587 130.3442 56.3320 39.5809 175.0227 14 D 4.7675 9.0401 129.1453 53.0254 41.2930 174.9602 15 V 4.5851 7.6480 123.7337 59.3676 34.9989 176.3767 16 S 4.2748 8.5707 118.3164 57.5316 61.6763 174.4247 17 F 4.4165 8.0512 123.9406 59.6880 38.3124 177.4923 18 E 4.0369 7.3169 121.0205 57.9724 29.7561 177.4838 19 D 4.7887 7.2914 122.5015 53.5789 42.2893 180.5135 20 P 4.5630 0.0000 0.0000 66.0296 31.3586 179.2831 21 G 3.7753 8.1306 103.6981 47.9230 0.0000 175.4542 22 G 4.1516 8.0969 109.2663 46.9713 0.0000 175.2476 23 Q 4.1861 8.6190 124.5554 59.6537 29.0884 179.3291 24 R 4.0095 7.8642 121.5952 61.6040 29.4241 180.8695 25 R 4.1973 8.3562 119.5535 58.8995 30.0732 178.9658 26 L 4.2576 8.4319 120.5092 58.1778 42.0371 178.9274 27 R 3.8973 8.1537 118.6418 59.5733 29.9899 178.7581 28 R 3.8771 8.0063 117.7695 59.3371 30.0679 179.1786 29 I 3.4620 7.9696 119.6115 64.0550 37.0768 178.3135 30 A 3.3477 8.2701 122.0322 54.8449 17.9936 179.5904 31 K 3.8261 7.9559 116.8882 59.6011 32.3461 178.5537 32 A 4.1152 7.8231 120.0430 55.2441 18.5921 178.9156 33 C 4.3900 7.9336 114.5958 61.5802 28.3653 175.7277 34 Q 3.9420 7.7089 121.8929 59.3863 28.5243 177.8898 35 D 4.7071 7.8556 113.1121 54.8897 41.1728 176.4118 36 Y 4.5763 7.9133 117.5699 57.9525 39.6631 175.7457 37 G 4.9560 6.9165 110.1435 45.9885 0.0000 175.7163 38 Q 4.4710 8.0441 122.2919 54.2876 31.2778 173.5634 39 R 4.5909 8.3818 119.4385 55.0846 29.8491 176.1525 40 V 4.0733 8.0795 119.6130 62.5048 32.4962 176.0821 41 Q 4.6747 7.3381 117.2487 53.8421 32.9993 174.6768 42 Y 4.4443 8.8688 119.8906 60.7739 38.7402 176.8138 43 S 4.6000 7.7091 113.6420 57.9756 64.1593 173.7345 44 V 4.7488 7.2435 119.7931 62.1856 34.5996 173.9834 45 F 5.3020 9.2496 126.1595 55.7297 42.9068 173.6872 46 E 4.9997 9.2451 122.9159 55.0974 31.6748 174.8232 47 C 5.1061 8.7501 121.5008 57.9612 31.9047 173.0610 48 V 4.2915 8.6453 125.1443 61.5097 32.1795 175.6310 49 V 4.8877 8.5631 121.1080 59.9117 36.4312 175.1867 50 D 5.1395 9.6022 125.1929 51.6773 41.2094 175.6014 51 P 4.3022 0.0000 0.0000 65.6629 31.2369 178.8783 52 A 4.0135 8.0583 119.1493 55.2099 18.3861 179.5002 53 Q 4.0263 8.8186 117.0012 58.9197 28.8215 178.9662 54 W 4.3145 8.5480 129.3501 60.3018 30.6039 177.7871 55 A 3.6368 7.9984 120.7663 55.0095 17.9093 179.8229 56 K 3.7797 7.7514 116.3955 59.4491 32.1640 179.4345 57 L 3.7742 7.9809 120.9400 57.9228 41.9949 178.7698 58 K 3.0367 7.2902 119.8839 59.3689 31.8950 178.1217 59 H 3.9345 7.5538 118.2738 59.1821 29.7624 177.3991 60 R 3.8338 7.7011 119.4357 59.2464 29.9330 179.0234 61 L 3.8209 7.7944 118.6017 57.8778 41.4222 179.6918 62 L 4.0072 7.6962 117.5468 57.7348 41.5395 179.2527 63 S 4.1611 7.5848 112.4022 61.0792 62.3571 175.5605 64 E 4.1853 7.8036 120.7788 57.8323 29.6060 177.2121 65 M 4.2849 7.2173 115.2167 55.0030 32.2149 175.1472 66 D 4.7734 9.0846 119.7642 52.4911 41.6810 177.4584 67 K 4.2915 8.6013 126.9637 58.9889 32.5053 178.4503 68 E 4.1992 8.3793 117.7166 58.3225 29.8273 177.6084 69 K 4.2684 8.2344 116.7224 57.0565 33.0368 175.8417 70 D 5.2257 8.2946 117.2054 52.4639 44.3251 175.2390 71 C 4.9350 8.8463 118.8761 57.7422 35.2368 172.4605 72 L 5.3159 8.5301 124.1381 52.9549 44.2810 175.9044 73 R 4.2891 8.8194 122.0533 54.1729 33.4946 174.4170 74 F 5.3233 8.2202 121.7499 55.8717 41.4287 174.4046 75 Y 4.3379 8.8177 121.4244 56.4819 40.3810 174.6661 76 Y 4.6593 8.5918 123.2112 56.8364 37.6029 175.5570 77 L 4.2085 8.8029 123.8510 54.7451 42.8970 178.4869 78 G 3.8869 8.2018 108.5458 44.4462 0.0000 173.8062 79 A 4.7477 8.5173 119.4930 53.8086 18.8252 177.9593 80 N 4.8015 7.9039 113.9522 52.1886 39.4988 177.0636 81 W 4.3752 8.5034 117.8825 59.7182 28.2763 178.2533 82 R 3.6793 6.8017 116.7827 58.7248 29.4824 176.6479 83 N 4.6665 7.9488 113.9819 53.7600 38.8686 175.0203 84 K 4.6887 8.3198 114.0043 56.1924 34.0951 175.9082 85 V 4.5128 7.7667 117.8178 60.9173 34.3175 174.3242 86 E 4.6702 8.6691 125.9863 54.5411 32.5280 173.7047 87 H 4.8752 8.8644 124.9154 54.1514 32.1555 173.0686 88 V 4.3478 8.2162 125.3093 62.1594 34.5868 174.7325 89 G 3.8268 8.8336 111.7056 43.9082 0.0000 172.8274 90 A 4.2019 8.2544 123.3363 51.7742 19.1288 177.8550 91 K 4.1798 8.3039 119.1852 55.4683 32.7895 175.8029 92 P 4.3194 0.0000 0.0000 62.6050 31.9214 176.3559 93 A 3.9769 8.6914 125.2416 55.3584 18.3757 177.9565 94 Y 4.2577 7.6272 111.7234 58.7926 39.1385 175.0281 95 D 4.3738 8.8603 121.8033 54.8601 39.5167 172.9315 96 P 4.4303 0.0000 0.0000 65.5789 32.0984 178.3877 *97 E 4.1492 8.1105 114.5278 57.7137 30.0992 182.4015 98 G 4.0910 7.9200 105.4181 43.6152 0.0000 171.4448 99 P 4.4489 0.0000 0.0000 62.2669 31.8586 176.6878 100 L 4.0781 8.6006 120.5149 57.0974 41.8088 177.8222 101 I 4.6680 7.4119 117.5560 59.1589 40.0220 175.3305 102 L 4.3367 8.8143 123.3111 55.2266 41.5338 176.8617 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 N 8.42 4.71 0.00 2.70 2.86 0.00 0.00 7.04 7.59 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 5 D 8.38 4.52 0.00 2.73 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 6 A 8.67 4.57 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 7 M 9.00 5.25 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.50 0.00 8 L 8.29 4.37 0.00 0.40 1.34 0.51 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.25 4.43 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 0.13 0.00 0.00 -0.29 0.00 0.00 10 L 8.67 4.85 0.00 1.77 1.56 0.94 0.67 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 11 I 9.15 5.03 2.17 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.77 1.21 0.00 0.00 12 S 9.31 4.87 0.00 4.00 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 13 Y 8.86 5.15 0.00 3.07 3.18 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 14 D 9.04 4.77 0.00 2.87 2.56 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 15 V 7.65 4.59 0.74 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 0.57 0.00 0.00 0.90 0.00 0.00 16 S 8.57 4.27 0.00 3.90 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 17 F 8.05 4.42 0.00 3.45 3.42 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 18 E 7.32 4.04 0.00 1.68 1.92 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 2.29 1.47 0.00 19 D 7.29 4.79 0.00 2.76 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.56 0.00 2.16 2.15 0.00 3.57 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 2.12 2.17 0.00 21 G 8.13 3.78 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 0.00 0.00 0.00 22 G 8.10 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 0.00 0.00 0.00 0.00 23 Q 8.62 4.19 0.00 2.53 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.83 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 24 R 7.86 4.01 0.00 1.81 1.92 0.00 3.33 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 25 R 8.36 4.20 0.00 2.01 2.20 0.00 3.38 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.92 0.00 26 L 8.43 4.26 0.00 1.93 1.94 1.16 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.15 3.90 0.00 2.06 2.11 0.00 3.18 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 28 R 8.01 3.88 0.00 2.03 1.92 0.00 3.21 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.89 0.00 29 I 7.97 3.46 1.72 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.32 0.34 0.00 0.00 30 A 8.27 3.35 1.41 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 0.00 0.00 31 K 7.96 3.83 0.00 1.83 1.96 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.43 7.81 32 A 7.82 4.12 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 33 C 7.93 4.39 0.00 2.56 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 34 Q 7.71 3.94 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 35 D 7.86 4.71 0.00 2.40 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 36 Y 7.91 4.58 0.00 3.20 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 37 G 6.92 4.96 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 0.00 0.00 0.00 38 Q 8.04 4.47 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9.00 7.19 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 39 R 8.38 4.59 0.00 1.56 1.34 0.00 2.83 0.00 0.00 2.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 0.00 40 V 8.08 4.07 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 0.75 0.00 0.00 0.92 0.00 0.00 41 Q 7.34 4.67 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 42 Y 8.87 4.44 0.00 2.67 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 43 S 7.71 4.60 0.00 4.07 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 44 V 7.24 4.75 2.01 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 0.90 0.00 0.00 0.87 0.00 0.00 45 F 9.25 5.30 0.00 3.06 2.89 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 46 E 9.25 5.00 0.00 1.87 1.75 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 2.20 2.25 0.00 47 C 8.75 5.11 0.00 2.66 2.62 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 0.00 0.00 0.00 0.00 48 V 8.65 4.29 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 0.60 0.00 0.00 0.24 0.00 0.00 49 V 8.56 4.89 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 0.43 0.00 0.00 0.69 0.00 0.00 50 D 9.60 5.14 0.00 3.03 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 51 P 0.00 4.30 0.00 2.21 2.18 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 52 A 8.06 4.01 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 53 Q 8.82 4.03 0.00 2.34 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.88 0.00 0.00 0.00 0.00 0.00 2.55 2.63 0.00 54 W 8.55 4.31 0.00 3.26 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 55 A 8.00 3.64 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 56 K 7.75 3.78 0.00 1.95 1.83 0.00 1.66 0.00 0.00 1.50 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.58 7.81 57 L 7.98 3.77 0.00 1.42 1.46 0.84 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.29 3.04 0.00 0.79 0.85 0.00 0.99 0.00 0.00 1.19 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.99 0.40 7.81 59 H 7.55 3.93 0.00 3.12 3.30 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 R 7.70 3.83 0.00 2.00 1.89 0.00 3.17 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 1.84 0.00 61 L 7.79 3.82 0.00 1.78 1.66 0.97 0.34 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 62 L 7.70 4.01 0.00 1.51 1.69 0.90 0.90 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 63 S 7.58 4.16 0.00 3.82 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 64 E 7.80 4.19 0.00 1.88 1.92 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 2.50 2.36 0.00 65 M 7.22 4.28 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.68 0.00 66 D 9.08 4.77 0.00 2.72 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 67 K 8.60 4.29 0.00 1.79 1.87 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.46 7.81 68 E 8.38 4.20 0.00 2.36 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 2.30 1.89 0.00 69 K 8.23 4.27 0.00 1.77 1.85 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.40 7.81 70 D 8.29 5.23 0.00 2.73 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 71 C 8.85 4.94 0.00 2.96 2.70 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 72 L 8.53 5.32 0.00 1.28 0.88 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.82 4.29 0.00 1.75 1.47 0.00 3.09 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.49 0.00 74 F 8.22 5.32 0.00 2.65 2.24 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 75 Y 8.82 4.34 0.00 2.85 2.84 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 76 Y 8.59 4.66 0.00 2.89 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 77 L 8.80 4.21 0.00 1.78 1.89 1.00 1.03 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 78 G 8.20 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 79 A 8.52 4.75 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 80 N 7.90 4.80 0.00 2.73 2.74 0.00 0.00 6.86 7.66 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 81 W 8.50 4.38 0.00 3.50 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 82 R 6.80 3.68 0.00 1.41 1.82 0.00 2.67 0.00 0.00 2.91 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.50 0.00 83 N 7.95 4.67 0.00 2.59 2.85 0.00 0.00 6.95 6.21 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 84 K 8.32 4.69 0.00 1.90 1.78 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.36 7.81 85 V 7.77 4.51 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 0.87 0.00 0.00 1.15 0.00 0.00 86 E 8.67 4.67 0.00 1.91 1.75 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 2.19 2.28 0.00 87 H 8.86 4.88 0.00 3.12 3.16 0.00 5.92 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.22 4.35 2.04 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 0.86 0.00 0.00 0.92 0.00 0.00 89 G 8.83 3.83 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 0.00 0.00 0.00 90 A 8.25 4.20 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 91 K 8.30 4.18 0.00 1.76 1.76 0.00 1.76 0.00 0.00 1.98 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.46 7.81 92 P 0.00 4.32 0.00 2.26 2.07 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 93 A 8.69 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.63 4.26 0.00 3.15 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 95 D 8.86 4.37 0.00 2.90 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 96 P 0.00 4.43 0.00 2.21 2.26 0.00 3.83 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 *97 E 8.11 4.15 0.00 2.01 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 2.21 1.87 0.00 98 G 7.92 4.09 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 0.00 0.00 0.00 99 P 0.00 4.45 0.00 2.43 2.10 0.00 3.81 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 2.04 2.03 0.00 100 L 8.60 4.08 0.00 1.63 1.69 0.86 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 101 I 7.41 4.67 1.94 0.00 0.00 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 1.50 0.66 1.10 0.00 0.00 102 L 8.81 4.34 0.00 1.76 1.71 0.84 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.