NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7270 8.4093 118.1224 53.4849 39.5689 173.0928 3 T 4.9151 8.0270 112.2106 59.3146 72.7658 171.6118 4 L 4.6437 9.0970 121.7974 53.4525 45.7626 177.2375 5 T 4.7413 8.6649 121.7825 62.1730 69.5520 174.7889 6 V 4.1788 9.0346 129.0072 61.2370 32.6559 175.1905 7 K 4.6588 8.6802 128.1839 56.5198 33.0814 176.4159 8 M 4.9666 8.8398 123.7590 53.6827 34.8578 174.6881 9 N 5.4543 8.5957 119.2139 51.0575 43.0823 173.7353 9A D 4.4304 9.2438 122.4060 54.6186 42.1854 175.1662 9B A 4.7163 8.5772 125.2709 50.5778 20.3148 176.4984 9C L 4.8687 8.7928 123.0262 52.7089 44.9362 178.0691 9D S 4.2923 8.8175 114.9018 60.0910 63.3595 174.9247 9E S 4.6074 9.4407 114.2362 57.9039 64.5104 174.4194 10 G 3.7282 6.5986 110.1199 45.5737 0.0000 172.3212 11 T 4.6951 8.1487 121.4083 62.2241 70.6708 174.6694 12 G 4.1235 8.7269 118.7714 46.3140 0.0000 173.5562 13 E 4.3747 8.6368 122.9194 56.0168 31.0776 175.8801 14 N 5.3173 8.9059 121.5304 52.7103 40.0631 174.4752 15 I 4.4093 8.7374 118.3331 61.0789 39.3146 173.8015 16 G 4.2239 8.3873 110.3688 46.1012 0.0000 173.5748 17 E 5.1952 8.6612 116.8001 55.6811 34.7934 170.6526 18 I 4.6452 9.2076 120.1327 60.6945 40.5176 174.9094 19 T 4.9394 8.7440 123.3272 61.9373 70.6118 173.4885 20 V 4.6796 8.4505 127.0575 61.2146 33.9587 174.6611 21 S 4.7800 8.6373 120.5563 56.8920 67.1496 172.1184 22 E 5.0180 8.6461 119.5619 55.0170 31.3319 175.6845 23 T 4.7429 8.2934 112.1053 58.9570 72.0524 173.0312 24 P 4.2362 0.0000 0.0000 64.5761 31.4050 176.7786 25 Y 4.5417 8.6223 115.0636 56.8319 39.2658 174.4770 26 G 4.4112 7.5318 106.4584 42.7287 0.0000 173.0489 27 L 4.5059 8.5998 120.6291 54.5303 42.8301 176.3158 28 L 5.0321 8.9459 126.5671 53.5362 44.2565 174.9633 29 F 4.9294 9.9450 126.5249 56.5595 40.7543 175.3215 30 T 4.7899 8.8959 123.3621 61.2742 69.7198 173.0008 31 P 4.8179 0.0000 0.0000 62.8309 33.5564 175.1499 32 H 4.9402 8.5879 120.2564 54.9361 30.8331 171.5343 33 L 5.9690 8.9965 121.9197 51.5917 46.8230 174.5075 34 N 5.1389 8.2943 116.6237 51.2034 40.8754 173.7339 35 G 3.9969 8.5629 104.4811 47.1358 0.0000 173.5485 36 L 4.5653 7.5053 117.1384 51.9707 45.1430 176.9777 37 T 4.0321 8.0493 112.2447 61.1140 68.9269 172.3476 38 P 4.3972 0.0000 0.0000 63.8578 32.3392 174.6604 39 G 3.6937 8.1046 105.6640 44.1859 0.0000 171.7245 40 I 4.9378 8.3277 119.5460 60.0715 39.3189 174.6846 41 H 5.2052 9.1735 124.4542 53.4101 31.8970 174.1479 42 G 4.0356 9.1866 110.0752 46.8857 0.0000 172.3292 43 F 5.5169 8.6111 125.4978 56.9846 42.4618 172.7973 44 H 4.7396 8.7556 122.4144 53.9376 33.9527 172.6382 45 V 4.4437 8.4871 120.7246 62.5116 32.4745 174.7636 46 H 5.2384 8.6023 124.6309 54.6339 30.6856 175.1615 47 T 4.0691 9.0024 118.6732 67.1253 68.8999 174.3029 48 N 4.8502 8.5191 117.5521 51.1599 39.8878 173.7399 49 P 4.8084 0.0000 0.0000 61.7828 31.5069 176.4925 50 S 4.6313 7.6089 111.0971 57.5802 65.7913 174.3698 51 C 4.9996 8.6019 121.7717 56.6986 37.8797 173.6534 52 M 4.6033 7.8206 121.1373 54.9098 32.7022 174.6021 53 P 5.0092 0.0000 0.0000 63.0103 33.1749 175.0690 53A G 4.2486 8.5961 104.9514 45.3818 0.0000 172.4221 53B M 4.8339 8.5621 121.6207 54.4777 33.2123 175.9968 53C K 4.3467 9.3370 124.8443 55.3196 34.1622 175.5716 53D D 4.4338 10.0492 127.6217 55.2739 38.4366 175.0432 53E G 4.0002 8.6976 106.3123 44.7503 0.0000 173.8951 53F K 4.6868 7.9071 119.5416 54.3132 35.2259 175.3307 53G E 4.5806 8.8019 124.0855 56.1940 30.5116 176.1523 53H V 4.3649 8.9568 125.1133 60.1096 33.8832 173.0018 54 P 4.5464 0.0000 0.0000 63.6343 32.5636 176.3581 55 A 4.9119 8.8240 124.7838 51.9884 16.6995 178.8071 56 L 3.9888 7.4214 123.3326 60.0135 42.1801 178.7937 57 M 4.2673 7.8892 115.0317 56.5353 31.9176 177.0451 58 A 4.4384 7.4691 122.6551 52.5462 19.0320 178.7527 59 G 3.7429 7.8906 103.1626 44.6247 0.0000 171.6995 60 G 4.1034 8.0037 106.1148 45.6490 0.0000 172.5659 61 H 4.7825 8.3860 117.7822 55.0691 29.7782 175.3584 62 L 3.7526 8.6785 125.4058 55.8198 42.9693 176.4604 63 D 5.0573 8.2397 126.1099 52.5542 41.0423 173.7190 64 P 4.4643 0.0000 0.0000 64.5721 32.0077 177.6742 65 E 4.4211 8.0012 117.7762 56.0994 29.6845 176.1544 66 K 4.0627 7.9366 116.8857 57.6001 30.2764 176.3890 67 T 3.8608 8.3143 111.6519 63.7160 69.1003 175.6346 68 G 3.9682 8.6854 107.8971 45.3055 0.0000 172.9563 68A K 4.5479 7.7778 117.9209 54.3917 35.4209 175.1814 69 H 4.8172 9.0345 123.1830 55.0273 29.1798 174.9821 70 L 4.8961 7.9555 124.6583 53.0379 43.0261 176.8532 71 G 3.2960 7.8598 105.0792 43.6303 0.0000 171.8215 72 P 4.3683 0.0000 0.0000 63.2244 31.4301 176.3239 73 Y 4.8107 7.1644 115.0447 57.6217 38.9880 174.5981 74 N 4.7951 7.8731 121.7367 52.1698 40.0594 175.1141 75 D 4.5603 8.8199 124.9869 54.9932 39.9075 174.0798 76 K 4.3963 8.7362 116.8236 57.3145 32.9456 176.3463 77 G 4.2251 7.4290 108.6902 43.6968 0.0000 172.0814 78 H 4.3970 8.1416 116.0809 55.8017 28.9186 176.7670 79 L 3.9640 8.8547 125.5901 57.7470 42.6708 177.6558 80 G 3.8086 8.5082 104.9719 46.6988 0.0000 173.1591 81 D 4.8651 8.1095 122.0840 54.2367 41.3744 175.8663 82 L 4.3764 7.6831 123.3575 52.0345 44.0105 175.0739 83 P 4.4099 0.0000 0.0000 62.1931 32.1594 176.8797 84 G 3.8906 8.7882 110.1694 46.6244 0.0000 173.0715 85 L 4.1910 9.0998 127.4438 54.7853 43.3461 175.6718 86 V 4.3171 8.4277 126.6387 61.8454 32.6110 174.8316 87 V 4.4467 8.6975 129.0202 60.9532 33.5222 175.4534 88 N 4.9114 9.3902 125.8641 52.8144 39.1477 175.7409 89 A 4.0960 8.4184 121.4428 54.4478 18.5357 177.9394 90 D 4.6820 8.1024 114.1948 52.9818 39.9261 177.6103 91 G 4.2679 8.0749 107.8635 45.9330 0.0000 173.9257 92 T 4.7768 7.8087 109.7303 59.9856 70.9010 173.7327 93 A 4.9944 8.5359 125.1832 50.8005 20.8593 176.9396 94 T 5.0704 8.3948 110.1031 60.4670 70.6802 173.7455 95 Y 4.0635 8.2015 123.2202 57.1049 38.9517 173.7414 96 P 4.6537 0.0000 0.0000 62.6278 32.4523 175.7486 97 L 4.8846 9.1021 123.1740 52.8987 44.9969 175.0223 98 L 5.0494 8.8581 125.5557 53.6605 43.9572 175.9509 99 A 4.8109 9.1328 129.6156 49.1348 18.7698 174.7724 100 P 5.1084 0.0000 0.0000 65.4956 31.6135 179.0181 101 R 4.1443 7.9314 116.0512 57.4463 30.5763 176.3782 102 L 4.3855 7.7588 118.6650 53.5049 42.7488 177.5578 93 K 4.9944 8.5859 121.7832 54.5005 34.8593 175.7396 94 S 5.1904 8.5548 112.2031 56.9670 64.6802 173.6455 95 L 3.8535 8.2415 124.7202 54.3049 43.5517 175.4414 96 S 4.7037 8.6003 122.3801 57.6278 64.1523 173.0486 97 E 4.8946 9.3621 121.5740 54.3987 32.4969 174.0223 98 L 5.0494 8.8581 125.5557 53.6605 43.9572 175.9509 99 K 4.8109 9.1828 126.2156 52.8348 32.7698 173.5724 100 G 4.6484 8.5534 107.7966 47.2956 0.0000 176.6181 101 H 4.5343 8.1214 113.7512 56.4463 28.6763 174.1782 102 S 4.5155 7.9088 112.5650 56.7049 64.1488 174.5578 115 L 4.8702 9.2220 121.2785 53.3378 44.0075 175.2595 116 M 5.1508 9.3027 123.3677 53.7325 35.7375 174.2290 117 I 4.9667 8.6852 125.5861 60.1186 40.1552 175.2222 118 H 5.2038 9.1361 125.0440 54.7278 29.9614 176.1368 119 K 4.0911 9.1939 119.7677 59.7389 32.6121 178.3874 120 G 3.8221 8.4881 107.4132 45.0936 0.0000 172.8878 121 G 4.2134 8.2344 112.0080 44.9107 0.0000 173.1113 122 D 4.6737 8.3302 122.9159 53.9344 43.4901 175.0261 123 N 4.5178 8.8670 124.4923 52.1375 37.7159 174.6920 124 Y 3.7389 8.3589 114.9371 59.0981 36.3349 169.9942 125 S 5.4227 7.6475 109.7253 59.2863 65.3182 174.5837 *130 D 4.6617 8.6738 122.6340 54.0837 42.0433 176.3768 131 K 4.7237 7.4916 119.8785 52.0714 35.6446 178.9129 132 P 4.3700 0.0000 0.0000 64.3654 31.7242 176.6624 133 A 4.5666 7.6248 120.7478 49.4353 20.5462 174.9722 134 P 4.3542 0.0000 0.0000 63.5637 31.9291 175.9104 135 L 3.3681 9.4781 117.2188 55.9674 39.7909 177.3555 136 G 4.4490 9.0284 106.9379 45.4998 0.0000 175.3008 137 G 3.7991 7.9296 107.1623 46.0117 0.0000 175.3098 138 G 3.6423 7.9932 110.8310 45.6169 0.0000 175.9226 139 G 3.7634 8.0318 108.0804 45.6380 0.0000 172.8493 140 A 4.2236 8.4811 123.1439 52.7490 19.9121 176.9933 141 R 4.5164 8.4592 118.2735 55.3543 30.8749 176.1049 142 F 4.5478 9.4017 126.9687 59.7855 41.0357 175.3142 143 A 5.1244 7.8499 118.1132 50.6856 23.0643 175.2998 144 C 5.3266 9.0905 118.6068 55.4631 43.9062 173.1280 145 G 4.5539 9.0704 110.6600 44.6309 0.0000 171.6454 146 V 4.6040 8.5321 125.4610 62.1595 32.5913 175.7285 147 I 4.1936 8.1371 120.3541 61.4756 36.7578 174.4455 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 2 N 8.41 4.73 0.00 2.71 2.83 0.00 0.00 6.71 6.65 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 3 T 8.03 4.92 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 1.19 0.00 0.00 4 L 9.10 4.64 0.00 1.52 1.57 0.97 0.62 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 5 T 8.66 4.74 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 1.23 0.00 0.00 6 V 9.03 4.18 2.27 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 1.04 0.00 0.00 1.01 0.00 0.00 7 K 8.68 4.66 0.00 1.70 1.74 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.49 7.81 8 M 8.84 4.97 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.84 0.00 9 N 8.60 5.45 0.00 2.59 2.61 0.00 0.00 6.73 7.92 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 9A D 9.24 4.43 0.00 2.45 2.23 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 9B A 8.58 4.72 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 0.00 0.00 0.00 0.00 0.00 9C L 8.79 4.87 0.00 1.63 1.50 0.88 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 9D S 8.82 4.29 0.00 3.97 3.98 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 9E S 9.44 4.61 0.00 3.97 3.98 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 10 G 6.60 3.73 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 0.00 0.00 0.00 11 T 8.15 4.70 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 1.18 0.00 0.00 12 G 8.73 4.12 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 0.00 0.00 0.00 13 E 8.64 4.37 0.00 1.92 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 0.00 2.38 2.28 0.00 14 N 8.91 5.32 0.00 2.84 2.71 0.00 0.00 7.13 7.94 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 15 I 8.74 4.41 2.12 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.79 1.06 0.00 0.00 16 G 8.39 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 0.00 0.00 0.00 17 E 8.66 5.20 0.00 1.62 1.76 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 2.22 1.91 0.00 18 I 9.21 4.65 2.05 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.78 1.20 0.00 0.00 19 T 8.74 4.94 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 1.19 0.00 0.00 20 V 8.45 4.68 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 0.34 0.00 0.00 0.72 0.00 0.00 21 S 8.64 4.78 0.00 3.84 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 22 E 8.65 5.02 0.00 1.84 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 2.19 2.24 0.00 23 T 8.29 4.74 4.35 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 1.25 0.00 0.00 24 P 0.00 4.24 0.00 1.45 1.80 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 25 Y 8.62 4.54 0.00 3.10 2.96 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 26 G 7.53 4.41 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 0.00 27 L 8.60 4.51 0.00 1.77 1.43 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.95 5.03 0.00 1.75 1.50 0.98 0.74 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 29 F 9.95 4.93 0.00 3.21 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 30 T 8.90 4.79 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 1.22 0.00 0.00 31 P 0.00 4.82 0.00 2.18 2.09 0.00 3.71 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 32 H 8.59 4.94 0.00 3.19 3.29 0.00 5.72 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 9.00 5.97 0.00 1.57 1.59 0.87 0.46 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 34 N 8.29 5.14 0.00 2.63 2.72 0.00 0.00 5.98 7.00 0.00 0.00 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 G 8.56 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 0.00 0.00 0.00 36 L 7.51 4.57 0.00 1.74 1.28 0.83 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.05 4.03 4.17 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 1.03 0.00 0.00 38 P 0.00 4.40 0.00 2.02 2.10 0.00 3.61 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.17 0.00 39 G 8.10 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 40 I 8.33 4.94 1.81 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 1.29 1.30 0.89 0.00 0.00 41 H 9.17 5.21 0.00 3.03 3.30 0.00 5.82 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 42 G 9.19 4.04 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 0.00 0.00 0.00 43 F 8.61 5.52 0.00 2.96 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 44 H 8.76 4.74 0.00 3.02 2.97 0.00 5.85 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.49 4.44 1.98 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 1.01 0.00 0.00 0.80 0.00 0.00 46 H 8.60 5.24 0.00 3.05 3.43 0.00 5.79 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 47 T 9.00 4.07 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 1.24 0.00 0.00 48 N 8.52 4.85 0.00 2.72 2.76 0.00 0.00 7.19 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.81 0.00 2.04 2.04 0.00 3.70 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 2.01 2.26 0.00 50 S 7.61 4.63 0.00 3.81 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 51 C 8.60 5.00 0.00 2.98 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 52 M 7.82 4.60 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.64 0.00 53 P 0.00 5.01 0.00 2.25 2.25 0.00 3.79 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 53A G 8.60 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 0.00 0.00 0.00 0.00 53B M 8.56 4.83 0.00 1.92 2.01 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.77 0.00 53C K 9.34 4.35 0.00 1.69 1.63 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.37 7.81 53D D 10.05 4.43 0.00 2.82 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 53E G 8.70 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 0.00 0.00 0.00 53F K 7.91 4.69 0.00 1.69 1.69 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.38 7.81 53G E 8.80 4.58 0.00 1.85 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 2.31 2.25 0.00 53H V 8.96 4.36 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 0.99 0.00 0.00 1.00 0.00 0.00 54 P 0.00 4.55 0.00 2.10 1.99 0.00 3.81 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 55 A 8.82 4.91 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 56 L 7.42 3.99 0.00 1.71 1.77 0.94 0.99 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 57 M 7.89 4.27 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.80 0.00 58 A 7.47 4.44 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 59 G 7.89 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 60 G 8.00 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 H 8.39 4.78 0.00 2.55 3.02 0.00 5.74 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 62 L 8.68 3.75 0.00 1.59 1.48 0.74 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.24 5.06 0.00 2.83 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 64 P 0.00 4.46 0.00 2.22 2.17 0.00 3.79 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 65 E 8.00 4.42 0.00 1.97 1.99 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 2.25 2.31 0.00 66 K 7.94 4.06 0.00 1.83 1.94 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.36 7.81 67 T 8.31 3.86 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 1.27 0.00 0.00 68 G 8.69 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 68A K 7.78 4.55 0.00 1.74 1.62 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.51 7.81 69 H 9.03 4.82 0.00 3.15 3.29 0.00 5.72 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.96 4.90 0.00 1.55 1.59 0.95 1.11 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 71 G 7.86 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 0.00 0.00 0.00 72 P 0.00 4.37 0.00 1.71 1.74 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.99 0.00 73 Y 7.16 4.81 0.00 2.90 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 74 N 7.87 4.80 0.00 2.66 2.61 0.00 0.00 7.23 8.49 0.00 0.00 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 D 8.82 4.56 0.00 2.73 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.74 4.40 0.00 1.85 1.86 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.37 7.81 77 G 7.43 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 0.00 0.00 0.00 0.00 78 H 8.14 4.40 0.00 3.48 3.35 0.00 5.65 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.85 3.96 0.00 1.62 1.68 0.92 1.08 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 80 G 8.51 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.11 4.87 0.00 2.68 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 82 L 7.68 4.38 0.00 1.27 1.15 -0.84 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 83 P 0.00 4.41 0.00 2.08 2.10 0.00 3.70 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.96 0.00 84 G 8.79 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 85 L 9.10 4.19 0.00 1.40 1.47 0.54 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.43 4.32 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 0.63 0.00 0.00 0.79 0.00 0.00 87 V 8.70 4.45 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 0.99 0.00 0.00 0.84 0.00 0.00 88 N 9.39 4.91 0.00 2.95 2.74 0.00 0.00 6.46 7.79 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 89 A 8.42 4.10 1.26 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 90 D 8.10 4.68 0.00 2.78 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 91 G 8.07 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 0.00 0.00 0.00 0.00 92 T 7.81 4.78 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 1.24 0.00 0.00 93 A 8.54 4.99 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 94 T 8.39 5.07 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 1.25 0.00 0.00 95 Y 8.20 4.06 0.00 2.91 2.96 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 96 P 0.00 4.65 0.00 1.77 1.90 0.00 3.13 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.05 0.00 97 L 9.10 4.88 0.00 1.79 1.71 1.01 1.03 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 98 L 8.86 5.05 0.00 1.71 1.67 1.16 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 99 A 9.13 4.81 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 0.00 100 P 0.00 5.11 0.00 2.28 2.32 0.00 3.62 0.00 0.00 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.15 0.00 101 R 7.93 4.14 0.00 1.84 2.05 0.00 3.25 0.00 0.00 3.89 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 102 L 7.76 4.39 0.00 1.99 1.68 0.98 0.53 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 93 K 8.59 4.99 0.00 1.55 1.50 0.00 0.61 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.33 7.81 94 S 8.55 5.19 0.00 3.97 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 95 L 8.24 3.85 0.00 1.50 1.60 0.92 0.94 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 96 S 8.60 4.70 0.00 3.37 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 97 E 9.36 4.89 0.00 2.23 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 2.20 2.21 0.00 98 L 8.86 5.05 0.00 1.71 1.67 1.16 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 99 K 9.18 4.81 0.00 1.76 1.80 0.00 0.61 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.34 7.81 100 G 8.55 4.65 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 0.00 0.00 0.00 101 H 8.12 4.53 0.00 3.27 3.45 0.00 8.63 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 S 7.91 4.52 0.00 4.26 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 0.00 115 L 9.22 4.87 0.00 1.70 1.81 1.25 0.85 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 0.00 116 M 9.30 5.15 0.00 2.01 1.64 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.19 0.00 117 I 8.69 4.97 2.00 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 1.28 0.77 0.94 0.00 0.00 118 H 9.14 5.20 0.00 3.09 3.59 0.00 5.65 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 K 9.19 4.09 0.00 1.68 1.88 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.59 1.58 7.81 120 G 8.49 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 0.00 0.00 0.00 121 G 8.23 4.21 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 0.00 122 D 8.33 4.67 0.00 2.69 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.87 4.52 0.00 2.83 2.91 0.00 0.00 6.69 7.23 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 0.00 124 Y 8.36 3.74 0.00 3.12 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 0.00 125 S 7.65 5.42 0.00 3.84 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 *130 D 8.67 4.66 0.00 2.74 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 0.00 131 K 7.49 4.72 0.00 1.69 1.50 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.23 7.81 132 P 0.00 4.37 0.00 2.16 2.20 0.00 3.71 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 1.97 1.95 0.00 133 A 7.62 4.57 1.24 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 0.00 134 P 0.00 4.35 0.00 2.21 2.18 0.00 3.84 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 135 L 9.48 3.37 0.00 1.84 1.57 0.91 0.94 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 0.00 136 G 9.03 4.45 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 0.00 137 G 7.93 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 0.00 138 G 7.99 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.03 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 0.00 140 A 8.48 4.22 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 0.00 141 R 8.46 4.52 0.00 1.83 1.82 0.00 3.38 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 142 F 9.40 4.55 0.00 3.19 3.21 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 0.00 143 A 7.85 5.12 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 0.00 144 C 9.09 5.33 0.00 2.95 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 0.00 145 G 9.07 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 V 8.53 4.60 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 0.85 0.00 0.00 0.94 0.00 0.00 147 I 8.14 4.19 1.91 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 1.30 0.49 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.