NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8442 8.3501 109.7381 46.2362 0.0000 172.8245 1A A 3.5387 7.5281 128.6496 48.8425 21.1895 173.0739 2 A 3.9091 8.6576 124.2571 51.7672 19.9990 175.5027 3 V 4.2558 7.4824 119.7991 63.8170 32.4583 175.4493 4 E 4.4404 9.8915 126.2839 56.5875 32.9049 175.4635 5 Y 5.2088 7.9840 115.7043 55.9134 41.9234 174.5940 6 L 5.0378 9.0245 125.7809 53.6542 43.9616 174.9924 7 V 4.7004 9.3535 128.4830 61.4867 33.1498 175.2973 8 D 4.3545 7.9584 127.5266 52.1226 42.0556 176.9306 9 A 3.8554 8.3158 119.1834 55.6474 17.9522 179.7477 10 S 4.0965 8.0323 112.1014 61.5890 62.7256 176.5564 11 A 3.9106 8.4646 124.2782 54.8362 18.3328 178.9656 12 L 3.5955 8.1569 119.0988 58.6292 41.7714 178.7040 13 Y 4.0404 8.2965 117.9494 60.7945 39.1566 177.6423 14 A 4.1769 7.7801 120.4356 55.1984 18.5183 179.5757 15 L 4.1392 8.5386 117.7445 57.9237 41.4203 179.3619 16 A 4.5267 8.1602 119.7203 55.3315 18.2076 179.3681 17 A 4.0612 7.7919 118.1884 54.9365 19.6887 178.9989 18 H 4.7974 8.0253 115.9504 55.2587 26.5751 175.0517 19 Y 3.3722 8.2308 122.0936 60.7444 39.7357 177.8507 20 D 4.1599 8.0508 117.9663 57.4562 41.6070 179.5772 21 K 3.8862 7.2511 116.7737 58.6737 32.4282 177.7596 22 W 4.6925 7.5436 113.5080 56.2325 29.2740 176.0209 23 I 3.9726 5.8161 120.1147 62.0903 37.1441 175.2011 24 K 4.4004 8.5739 122.9567 57.2745 30.2214 177.6167 25 H 4.6600 7.6564 112.3766 56.3207 29.6424 177.3841 26 R 4.1738 7.8082 116.4406 56.9020 29.3853 176.5049 27 E 3.8060 8.9766 113.7990 57.5778 29.1942 174.3319 28 K 5.3355 8.2781 119.0170 55.3304 35.1446 175.3159 29 L 5.2719 7.9285 119.4817 53.5735 43.6848 175.4699 30 A 5.1911 9.0717 123.3573 50.6767 23.5176 174.7535 31 I 5.4744 8.8947 112.5043 59.4937 41.9882 173.9175 32 L 4.8884 8.9022 121.7720 53.0875 44.4519 178.0905 33 H 4.2252 8.7802 116.7136 58.9534 29.1558 177.9949 34 L 4.2027 8.1287 120.5895 58.3211 41.8078 178.6817 35 T 4.0447 7.5740 116.7476 66.1125 68.3939 176.0127 36 I 3.6058 7.2736 120.2033 64.9459 37.1573 178.0991 37 Y 3.9899 7.8235 116.6052 60.8956 37.7085 178.1766 38 E 3.8848 8.4878 119.3863 59.3808 29.6694 179.1886 39 A 4.0799 8.6464 121.1924 55.1097 18.4382 179.8874 40 G 3.5943 8.4319 104.5341 48.0862 0.0000 175.4299 41 N 4.4703 8.7590 120.1016 56.1377 39.0616 176.7194 42 A 3.9347 8.2126 122.3564 55.2403 18.4989 179.4647 43 L 4.1658 8.0522 118.6930 57.9123 42.1247 178.9758 44 W 4.1898 8.4644 128.6485 60.3505 30.6168 178.0693 45 K 3.4036 8.3798 118.5104 59.1966 31.2151 178.9959 46 E 3.9022 7.8327 117.2138 59.4370 29.7637 178.9222 47 A 4.1672 7.9506 120.4714 55.2203 18.2072 179.5865 48 R 3.6146 7.5137 115.5128 59.4115 30.1347 179.2391 49 L 4.4686 7.4616 115.1126 53.8131 41.6884 174.1199 50 G 3.7134 8.9870 114.2227 46.1514 0.0000 174.4306 51 R 4.3548 8.1723 120.4008 55.1259 31.0112 174.7763 52 V 3.8374 8.6269 124.9686 65.0184 33.2020 177.4176 53 D 4.2937 8.7370 119.2124 54.3120 39.2889 179.3162 54 W 3.6058 9.6157 120.7878 58.8459 31.0203 177.2623 55 A 3.2231 5.9080 119.4621 53.9094 17.7941 179.3013 56 A 3.9522 7.3957 118.6986 54.9381 18.6210 179.6933 57 A 3.9972 7.9101 119.1361 55.1790 18.4221 179.7818 58 S 4.1929 9.2026 114.0756 61.7112 63.0517 176.9836 59 R 3.9017 7.6188 120.7453 59.1290 29.7862 178.3573 60 H 3.9657 8.0512 117.5159 59.1740 29.6311 176.7455 61 L 4.0299 7.8860 120.6192 58.2753 41.9945 178.2295 62 K 4.0195 8.1410 118.2580 59.7165 32.0652 178.4637 63 K 4.1983 7.8136 117.1532 59.4286 32.2940 180.3501 64 V 4.0064 7.8233 116.1398 64.1216 30.4005 177.4866 *66 S 4.5381 8.0861 113.2787 57.8379 64.7732 175.9567 67 S 4.3245 8.3214 116.7265 61.0764 62.7314 174.5670 68 F 4.6736 7.5604 115.5146 56.4538 40.3422 175.3373 69 K 4.5011 8.5420 122.6239 55.4558 33.7178 175.3024 70 V 4.7411 8.3582 126.9453 61.4907 32.9172 175.1955 71 L 4.6055 8.3915 127.7220 53.1331 43.3140 176.2958 72 E 4.1261 8.6219 121.3260 56.1422 30.2350 176.4953 73 D 4.5518 8.4786 124.7327 53.8036 41.5636 174.7442 74 P 4.6457 0.0000 0.0000 61.3022 32.6318 174.4266 75 P 4.3902 0.0000 0.0000 62.0497 31.8434 177.4563 76 L 4.1065 8.7721 125.2252 58.2218 41.4139 176.9093 77 D 4.0755 7.5437 114.1937 58.4340 41.9602 177.1021 78 E 3.9738 8.0917 116.7224 59.6043 30.1802 181.1940 79 V 3.4903 7.0328 117.5370 62.7791 30.9556 177.9029 *81 R 4.1670 8.1637 118.2450 55.9515 31.8386 177.1101 82 V 3.6351 7.7148 116.2212 66.2897 31.4242 177.3089 83 A 3.9962 8.4893 120.3566 55.4749 18.3116 179.4665 84 V 3.5436 7.7799 115.0023 66.3064 31.4336 178.1433 85 E 4.0774 8.7250 117.1637 59.2983 29.4842 178.8263 86 R 4.3676 8.5414 114.9716 55.0602 31.0067 176.3360 87 G 3.8490 7.7007 105.5656 47.1245 0.0000 173.0498 88 L 4.7826 7.8156 117.0757 52.3679 45.2761 177.3320 89 T 4.3874 7.9993 110.6722 60.8636 71.1996 175.4655 90 F 3.9821 8.4429 122.7448 61.4014 39.6671 176.3139 91 Y 4.5484 7.6309 115.9085 61.4475 37.8598 178.2215 92 D 4.6209 8.3580 119.5599 57.3586 40.9996 178.6211 93 A 4.1382 8.3659 121.0695 54.5305 18.2578 179.8866 94 S 3.8849 7.6780 114.2506 61.7731 62.4922 176.2985 95 Y 4.1043 7.8641 118.7627 60.8561 37.5879 177.9510 96 A 4.1014 8.2539 121.8588 55.2083 18.4638 179.1458 97 Y 3.8791 8.1164 117.9473 60.7672 38.8970 178.0285 98 V 3.4524 8.1720 120.1877 65.3406 31.5783 177.3955 99 A 3.9762 8.1565 120.7316 55.6313 18.0412 179.4023 100 E 3.9798 7.8456 116.8663 59.4396 29.5776 179.4081 101 S 3.6981 7.6916 114.2163 61.2703 62.4056 175.7540 102 S 4.6841 8.0541 116.1789 56.8985 63.2101 173.9326 103 G 3.9123 8.5106 110.2950 46.8590 0.0000 173.5797 104 L 4.7873 8.3834 117.9322 52.4347 45.0600 176.9848 105 V 4.0151 8.2860 121.9208 61.8314 32.9278 174.7225 106 L 4.6826 8.5665 130.7735 54.8047 43.5314 175.1568 107 V 4.7341 8.9726 127.3460 61.7157 33.2981 174.4139 108 T 4.8837 8.6911 121.4291 61.2123 70.7777 173.7152 109 Q 4.2717 8.6366 125.6508 56.6817 30.3356 176.0500 110 D 4.4050 7.9675 118.5403 54.3339 42.0675 176.8888 111 R 3.9506 8.6148 126.5279 59.2918 30.1427 178.6115 112 E 3.9846 8.5894 119.2933 59.1093 29.4974 178.8757 113 L 3.9933 8.0631 118.6772 57.7491 41.5563 179.1134 114 L 3.9728 7.6636 117.5468 57.8482 41.6084 179.2456 115 A 4.1904 7.6918 119.2904 54.6421 18.4586 178.8800 116 K 4.5079 7.9428 114.1567 55.4833 32.5109 176.6029 117 T 4.6270 7.2835 117.5022 61.1474 71.0699 173.2847 118 K 4.1052 8.6834 128.8363 57.9955 32.2879 176.9983 119 G 3.9346 8.9999 115.2721 44.7212 0.0000 173.0833 120 A 4.5966 7.2357 121.1296 52.4958 19.3020 176.6480 121 I 4.7610 8.7517 112.6535 59.7066 42.1732 173.8311 122 D 5.5297 8.2787 122.2052 51.2733 41.9975 177.4189 123 V 3.5471 8.3953 116.7779 66.1218 31.1316 177.5407 124 E 3.9656 8.2209 118.7165 59.3938 29.5131 178.8414 125 T 3.8658 8.5404 116.2999 66.4126 68.5382 176.3700 126 L 3.7642 7.8321 122.2834 58.2089 42.0335 179.0662 127 L 3.9939 7.9387 118.7846 57.8949 41.2920 179.9289 128 V 3.7243 7.4038 111.6435 63.9964 31.6350 178.6668 129 R 4.0719 7.9553 118.0638 59.3846 30.0127 179.1378 130 L 3.8043 7.9907 118.4913 57.5253 41.3179 179.4261 131 A 3.9684 7.8756 119.8397 54.8014 18.2665 179.2908 132 A 4.0659 7.4506 119.5406 55.1858 18.6849 177.4619 133 Q 4.1350 7.4521 116.1719 56.3928 28.9315 175.8298 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 1 G 8.35 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 1A A 7.53 3.54 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 2 A 8.66 3.91 1.50 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 0.00 0.00 3 V 7.48 4.26 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 0.98 0.00 0.00 4 E 9.89 4.44 0.00 1.55 1.12 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 2.06 2.20 0.00 5 Y 7.98 5.21 0.00 2.95 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 6 L 9.02 5.04 0.00 1.79 1.60 1.09 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 7 V 9.35 4.70 1.93 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 0.56 0.00 0.00 0.89 0.00 0.00 8 D 7.96 4.35 0.00 1.58 1.54 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 0.00 0.00 0.00 0.00 9 A 8.32 3.86 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 10 S 8.03 4.10 0.00 4.01 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 11 A 8.46 3.91 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 12 L 8.16 3.60 0.00 1.57 1.83 0.98 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 8.30 4.04 0.00 3.03 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 14 A 7.78 4.18 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 15 L 8.54 4.14 0.00 1.69 1.34 0.53 0.88 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 16 A 8.16 4.53 1.46 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 0.00 0.00 0.00 17 A 7.79 4.06 1.19 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 0.00 0.00 18 H 8.03 4.80 0.00 3.47 3.37 0.00 5.65 0.00 0.00 0.00 0.00 8.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 8.23 3.37 0.00 2.92 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 20 D 8.05 4.16 0.00 2.69 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 21 K 7.25 3.89 0.00 2.12 1.96 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.43 7.81 22 W 7.54 4.69 0.00 3.46 3.25 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 23 I 5.82 3.97 1.42 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 -0.36 0.67 0.00 0.00 24 K 8.57 4.40 0.00 1.77 1.90 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.21 1.30 7.81 25 H 7.66 4.66 0.00 3.52 3.39 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.81 4.17 0.00 2.08 2.12 0.00 3.14 0.00 0.00 3.39 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 27 E 8.98 3.81 0.00 2.25 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 2.22 2.24 0.00 28 K 8.28 5.34 0.00 2.18 2.01 0.00 1.90 0.00 0.00 2.18 0.00 0.00 3.02 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.46 1.42 7.81 29 L 7.93 5.27 0.00 1.71 1.86 0.94 0.65 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 30 A 9.07 5.19 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 31 I 8.89 5.47 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.93 0.53 0.00 0.00 32 L 8.90 4.89 0.00 1.42 1.52 0.36 1.20 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 33 H 8.78 4.23 0.00 3.41 3.51 0.00 5.63 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.13 4.20 0.00 1.69 1.59 0.99 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 35 T 7.57 4.04 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 1.24 0.00 0.00 36 I 7.27 3.61 1.65 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.68 0.66 0.00 0.00 37 Y 7.82 3.99 0.00 3.17 2.97 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 38 E 8.49 3.88 0.00 2.18 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 2.17 2.31 0.00 39 A 8.65 4.08 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.43 3.59 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 0.00 41 N 8.76 4.47 0.00 2.82 2.99 0.00 0.00 7.15 7.67 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 42 A 8.21 3.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.05 4.17 0.00 2.15 1.99 1.12 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 44 W 8.46 4.19 0.00 3.42 3.46 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 0.00 45 K 8.38 3.40 0.00 2.02 1.73 0.00 1.76 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 3.41 0.00 0.00 0.00 0.00 1.43 1.93 7.81 46 E 7.83 3.90 0.00 2.24 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 0.00 2.67 2.69 0.00 47 A 7.95 4.17 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 48 R 7.51 3.61 0.00 1.25 1.61 0.00 3.07 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.67 0.00 49 L 7.46 4.47 0.00 1.54 1.62 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.99 3.71 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 0.00 0.00 0.00 51 R 8.17 4.35 0.00 1.83 1.85 0.00 3.26 0.00 0.00 3.35 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.55 0.00 52 V 8.63 3.84 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 0.86 0.00 0.00 0.96 0.00 0.00 53 D 8.74 4.29 0.00 2.84 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.62 3.61 0.00 3.58 3.30 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 55 A 5.91 3.22 0.14 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 56 A 7.40 3.95 1.21 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 0.00 0.00 57 A 7.91 4.00 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 S 9.20 4.19 0.00 4.10 4.51 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.62 3.90 0.00 2.17 2.00 0.00 3.09 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 60 H 8.05 3.97 0.00 3.19 3.42 0.00 5.60 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.89 4.03 0.00 2.01 1.79 1.13 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.14 4.02 0.00 1.91 2.13 0.00 1.89 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.54 7.81 63 K 7.81 4.20 0.00 1.84 1.75 0.00 1.68 0.00 0.00 1.49 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.42 7.81 64 V 7.82 4.01 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 1.22 0.00 0.00 *66 S 8.09 4.54 0.00 4.14 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 0.00 67 S 8.32 4.32 0.00 4.10 3.99 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 68 F 7.56 4.67 0.00 2.92 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 69 K 8.54 4.50 0.00 1.92 1.74 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.56 7.81 70 V 8.36 4.74 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 0.64 0.00 0.00 0.95 0.00 0.00 71 L 8.39 4.61 0.00 1.59 1.60 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.62 4.13 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 2.33 2.44 0.00 73 D 8.48 4.55 0.00 2.75 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 74 P 0.00 4.65 0.00 1.92 2.14 0.00 3.66 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 1.97 2.15 0.00 75 P 0.00 4.39 0.00 2.05 1.94 0.00 3.28 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 2.10 2.08 0.00 76 L 8.77 4.11 0.00 1.65 1.73 0.80 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 77 D 7.54 4.08 0.00 2.63 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.09 3.97 0.00 1.16 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 2.29 2.25 0.00 79 V 7.03 3.49 1.70 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 0.10 0.00 0.00 0.58 0.00 0.00 *81 R 8.16 4.17 0.00 1.90 2.10 0.00 3.26 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.63 0.00 82 V 7.71 3.64 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 0.99 0.00 0.00 1.12 0.00 0.00 83 A 8.49 4.00 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.78 3.54 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 1.07 0.00 0.00 0.95 0.00 0.00 85 E 8.73 4.08 0.00 2.02 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 0.00 2.36 2.44 0.00 86 R 8.54 4.37 0.00 1.81 1.97 0.00 3.32 0.00 0.00 3.33 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 87 G 7.70 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 0.00 0.00 0.00 0.00 88 L 7.82 4.78 0.00 1.64 1.60 0.95 0.62 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 89 T 8.00 4.39 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 1.26 0.00 0.00 90 F 8.44 3.98 0.00 2.83 2.80 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 91 Y 7.63 4.55 0.00 3.15 3.14 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 92 D 8.36 4.62 0.00 2.82 2.80 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 93 A 8.37 4.14 1.32 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 0.00 0.00 0.00 94 S 7.68 3.88 0.00 3.85 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.86 4.10 0.00 3.21 2.97 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 96 A 8.25 4.10 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 97 Y 8.12 3.88 0.00 3.13 2.95 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 0.00 0.00 0.00 98 V 8.17 3.45 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 1.17 0.00 0.00 1.04 0.00 0.00 99 A 8.16 3.98 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 100 E 7.85 3.98 0.00 1.96 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 2.27 0.00 101 S 7.69 3.70 0.00 3.73 3.35 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 0.00 102 S 8.05 4.68 0.00 3.90 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 0.00 103 G 8.51 3.91 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 0.00 104 L 8.38 4.79 0.00 1.55 1.52 0.92 0.40 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 0.00 105 V 8.29 4.02 1.86 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 1.19 0.00 0.00 0.79 0.00 0.00 106 L 8.57 4.68 0.00 1.80 1.54 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 107 V 8.97 4.73 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 0.78 0.00 0.00 0.95 0.00 0.00 108 T 8.69 4.88 4.16 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 1.17 0.00 0.00 109 Q 8.64 4.27 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.61 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 110 D 7.97 4.41 0.00 2.73 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.61 3.95 0.00 1.86 1.96 0.00 3.34 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 112 E 8.59 3.98 0.00 2.05 2.05 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 2.32 2.36 0.00 113 L 8.06 3.99 0.00 1.86 1.69 0.90 0.75 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 0.00 114 L 7.66 3.97 0.00 1.81 1.74 0.96 0.83 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 0.00 115 A 7.69 4.19 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 0.00 116 K 7.94 4.51 0.00 1.80 1.85 0.00 1.66 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.58 7.81 117 T 7.28 4.63 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 1.22 0.00 0.00 118 K 8.68 4.11 0.00 1.75 1.72 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.38 7.81 119 G 9.00 3.93 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 0.00 0.00 0.00 120 A 7.24 4.60 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 0.00 121 I 8.75 4.76 1.89 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.76 1.02 0.00 0.00 122 D 8.28 5.53 0.00 3.01 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 0.00 123 V 8.40 3.55 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 1.00 0.00 0.00 0.98 0.00 0.00 124 E 8.22 3.97 0.00 2.07 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 0.00 2.37 2.39 0.00 125 T 8.54 3.87 4.39 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 1.22 0.00 0.00 126 L 7.83 3.76 0.00 1.57 1.71 -0.06 0.45 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 0.00 127 L 7.94 3.99 0.00 1.87 1.68 0.81 0.83 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 0.00 128 V 7.40 3.72 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 0.82 0.00 0.00 1.02 0.00 0.00 129 R 7.96 4.07 0.00 2.02 1.99 0.00 3.17 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 130 L 7.99 3.80 0.00 1.61 1.48 0.89 0.55 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 0.00 131 A 7.88 3.97 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 0.00 132 A 7.45 4.07 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 0.00 133 Q 7.45 4.13 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.49 0.00 0.00 0.00 0.00 0.00 2.52 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.