NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3706 8.2649 122.4670 51.8366 19.8050 176.4801 3 E 4.3544 8.7355 122.2274 55.7988 31.5475 173.8883 4 T 5.1060 8.7073 117.9217 61.7844 72.4842 172.8464 5 K 4.4144 9.3747 128.1614 54.6744 34.3332 174.6633 6 I 5.0499 8.3371 127.9992 59.5202 39.8850 175.2521 7 V 4.4611 8.8795 126.5467 61.1234 34.8950 174.0171 8 V 5.4597 7.8346 126.8841 59.9287 34.1962 174.6060 9 G 4.3048 8.4088 113.5549 45.5401 0.0000 172.1274 10 P 4.9597 0.0000 0.0000 64.0374 31.8075 177.1940 11 Q 4.1322 7.8905 119.0797 54.9546 29.2731 173.9512 12 P 4.0817 0.0000 0.0000 62.7152 31.8870 175.8508 13 F 4.8456 7.5005 116.2207 55.0894 40.6024 174.7910 14 S 4.5700 8.2430 114.1441 55.7435 64.4812 174.6790 15 V 3.3459 8.5494 127.6406 65.7821 31.0775 178.0599 16 G 3.5999 7.9745 104.3964 47.4925 0.0000 174.9966 17 E 4.2202 7.8294 119.7002 58.8624 29.6210 178.4054 18 E 4.2473 7.8881 118.0624 58.7019 29.8531 178.0169 19 Y 4.0532 8.3392 120.0969 60.2392 38.6760 176.1465 20 P 4.3091 0.0000 0.0000 65.6977 31.6138 178.0075 21 W 4.1473 8.2058 126.3471 60.2062 30.4918 177.5210 22 L 3.7295 7.6744 119.1640 57.5136 41.5893 177.9148 23 A 4.2512 7.0152 117.2497 51.5292 19.0520 177.3579 24 E 3.8905 7.2529 120.8895 59.4985 30.1884 177.9861 25 R 4.1224 7.4624 117.7452 55.6144 30.8492 177.3955 26 D 4.3951 8.6169 122.4121 57.1683 41.0423 177.6440 27 E 4.1002 8.0203 115.5447 58.2630 30.1589 177.1998 28 D 4.5950 7.5771 121.5139 53.1867 39.2335 176.7325 29 G 3.8594 8.0999 108.4213 47.4641 0.0000 170.6321 30 A 4.7867 8.2224 122.9563 49.9945 22.2352 175.1042 31 V 4.6908 8.4441 122.0157 60.9480 34.3107 174.7009 32 V 4.4466 8.7824 128.0876 61.1267 34.0925 174.2612 33 T 5.1082 8.6004 116.7725 59.8267 71.9263 172.8060 34 F 4.8968 9.1848 125.0002 56.7467 43.0079 173.6028 35 T 4.9762 7.4784 121.0855 61.6616 71.5318 173.2813 36 G 4.3073 9.1803 114.0363 44.4648 0.0000 172.5620 37 K 5.1993 8.4061 122.0198 53.7204 36.0920 176.0750 38 V 3.7074 8.2931 122.2551 63.5741 32.5669 175.3929 39 R 4.8043 8.7711 126.3778 54.3550 32.8172 177.1407 40 N 4.3385 8.7864 118.6455 56.8156 38.7152 177.2993 41 H 4.4367 7.9072 111.8216 57.8637 28.9339 176.0819 42 N 4.5009 7.7010 116.5266 54.9172 38.5017 174.8000 43 L 4.3794 7.5976 119.2573 53.3656 42.1785 177.3581 44 G 3.5938 8.6116 113.3157 47.7245 0.0000 172.4430 *48 N 4.5472 7.6942 115.1495 52.5607 38.1852 172.3322 49 A 4.4236 7.9121 118.0109 50.4427 22.7878 175.2093 50 L 4.5487 8.0994 120.4014 53.6633 44.9554 175.4350 51 T 4.8618 8.2800 121.5062 61.8896 71.2303 172.7314 52 L 4.8619 8.6001 127.5139 53.6196 43.7441 176.1644 53 E 4.9050 8.7087 122.4560 54.8393 33.4957 174.0665 54 H 4.4751 7.6838 114.4479 54.7551 32.0242 172.8865 55 Y 4.6534 8.4239 120.5746 55.5107 39.1241 172.6934 56 P 4.4445 0.0000 0.0000 64.2299 32.3318 175.8822 57 G 4.3412 9.3708 117.4486 46.5510 0.0000 175.8482 58 M 3.8894 7.3645 119.8632 57.3396 31.7119 179.0016 59 T 3.7088 7.8162 110.4057 64.8231 68.9992 176.7004 60 E 3.9226 8.0025 121.3197 58.6491 29.5415 178.9657 61 K 3.8309 8.0161 119.5295 59.4686 32.2620 178.6683 62 A 3.9133 8.0130 120.9395 55.0581 18.3065 179.5605 63 L 3.8557 8.0541 117.3138 57.9724 41.7546 179.6243 64 A 4.0301 8.3444 121.0288 55.3021 18.3015 179.5731 65 E 3.9893 8.2587 117.0494 59.2121 29.4966 179.6579 66 I 3.4404 7.6547 120.0577 64.3356 37.1072 178.5597 67 V 3.7276 7.8392 119.0638 65.9580 31.2504 177.4677 68 D 4.3296 8.2670 117.8059 57.4678 41.0441 177.9108 69 E 3.9470 8.4742 119.5380 59.2181 29.5714 178.5404 70 A 4.1228 8.3476 120.9400 55.3660 18.2449 179.8655 71 R 4.1106 8.0854 115.8634 59.3186 30.2156 178.4947 72 N 4.3744 8.0988 115.8187 56.0718 38.5225 177.0385 73 R 3.7102 7.1535 117.8481 56.4480 30.8530 176.9124 74 W 4.9566 7.4120 116.4773 53.9266 32.2838 174.4535 75 P 4.5592 0.0000 0.0000 62.4389 29.3561 174.8896 76 L 4.9206 8.1257 125.2397 52.6033 44.0083 176.2472 77 G 4.4224 8.4149 109.4187 45.3378 0.0000 177.2943 78 R 4.6565 8.8358 124.8681 55.4040 31.0862 174.4671 79 V 4.7910 8.4264 121.0442 61.5875 35.6367 173.9850 80 T 5.2535 9.1463 123.3441 61.8140 72.4360 172.9752 81 V 4.8283 9.1514 125.9622 61.2051 34.6385 174.1105 82 I 5.1179 8.9150 128.8540 59.7806 40.6795 174.1700 83 H 5.2738 9.3627 125.8335 54.6082 33.2675 172.4838 84 R 5.7806 8.9494 124.3795 54.5003 32.2509 175.2198 85 I 4.4893 7.8104 113.4296 60.1382 41.8788 174.5147 86 G 3.9042 8.8415 108.7942 44.7411 0.0000 171.2701 87 E 4.6302 8.4911 120.8140 55.8523 30.7324 177.5703 88 L 4.8955 8.5641 126.0169 53.1405 46.2924 175.3184 89 W 5.0163 9.7282 123.7151 53.8345 32.2308 173.9028 90 P 4.3898 0.0000 0.0000 64.8403 31.1484 176.2044 91 G 4.0772 8.6160 110.9946 45.3268 0.0000 173.7569 92 D 4.4784 8.1416 119.9343 54.3173 42.0999 175.6843 93 E 4.6113 8.5267 122.6154 56.1316 29.6134 176.2271 94 I 4.5323 9.3077 118.7366 60.9002 40.6758 175.9333 95 V 4.9762 7.8895 121.6013 59.7800 34.9671 174.2423 96 F 5.2516 9.3026 126.1145 56.3661 42.5627 173.3398 97 V 4.4973 8.5337 126.3194 60.8479 34.1774 174.2948 98 G 4.2734 8.9949 114.9547 44.3662 0.0000 171.7568 99 V 4.9687 8.8352 123.2036 61.3064 35.5912 173.8116 100 T 5.1369 8.1202 114.6560 60.4926 72.6974 172.2684 101 S 4.9252 8.5327 115.5022 57.6903 66.0275 175.5851 102 A 4.1110 8.7578 125.3278 54.1149 18.2476 177.8666 103 H 4.9912 7.8190 114.3282 53.6906 34.2054 174.3616 104 R 3.8429 8.0662 123.6282 59.2687 29.2544 179.2483 105 S 4.2658 8.0763 114.5812 61.4419 62.9599 176.5292 106 S 3.8419 8.1153 118.1155 61.1681 62.6998 176.3665 107 A 3.7998 7.5262 122.6094 55.0736 18.1654 179.7532 108 F 4.1553 8.3654 116.6762 60.5929 38.8947 177.7460 109 E 3.6944 8.1759 118.0495 59.2644 29.1506 179.2306 110 A 3.4335 7.0887 120.8855 54.8492 18.4061 179.7795 111 G 3.5643 7.8991 104.1214 48.1711 0.0000 175.9425 112 Q 3.9283 7.9417 120.3327 58.4831 28.7229 178.5410 113 F 4.2372 8.4259 121.8909 61.4586 39.4553 177.3149 114 I 3.7821 8.3975 119.8604 64.4830 36.9129 178.2876 115 M 3.9743 7.9207 119.4646 58.5324 31.6797 178.4434 116 D 4.3105 8.3150 119.2715 57.6925 41.0109 178.4504 117 Y 4.1291 7.9455 120.1207 60.3646 38.7570 177.5111 118 L 4.0289 8.1264 121.0239 58.8768 40.2860 179.5266 119 K 4.1163 8.1334 118.7484 58.5799 32.0979 178.4983 120 T 4.4660 7.6730 107.8499 62.2021 69.5326 175.5170 121 R 4.6036 8.1093 117.5853 55.7580 32.6635 175.6279 122 A 4.2222 8.0540 120.9559 51.0203 19.0487 176.2928 123 P 4.8368 0.0000 0.0000 62.6642 30.5986 174.5875 124 F 5.2416 8.5384 124.7322 56.1226 43.1089 173.7249 125 W 5.3540 8.1086 117.6317 55.1315 31.8405 173.9024 126 K 4.5808 8.8049 120.7292 55.9750 32.5799 176.6780 127 R 4.0875 9.0833 125.2129 57.1536 30.3769 176.3770 128 E 4.3433 8.8148 125.0704 56.4812 30.2335 176.2349 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 A 8.26 4.37 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 3 E 8.74 4.35 0.00 2.52 2.18 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 2.57 2.58 0.00 4 T 8.71 5.11 4.30 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 1.27 0.00 0.00 5 K 9.37 4.41 0.00 1.16 1.53 0.00 0.91 0.00 0.00 1.45 0.00 0.00 2.71 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.19 1.10 7.81 6 I 8.34 5.05 1.87 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 1.24 1.07 0.93 0.00 0.00 7 V 8.88 4.46 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 1.03 0.00 0.00 0.88 0.00 0.00 8 V 7.83 5.46 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 0.67 0.00 0.00 1.06 0.00 0.00 9 G 8.41 4.30 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 10 P 0.00 4.96 0.00 2.20 2.20 0.00 3.40 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 11 Q 7.89 4.13 0.00 2.21 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 7.09 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 12 P 0.00 4.08 0.00 1.94 1.84 0.00 3.62 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 1.98 2.02 0.00 13 F 7.50 4.85 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.24 4.57 0.00 3.80 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 15 V 8.55 3.35 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 1.14 0.00 0.00 0.83 0.00 0.00 16 G 7.97 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 0.00 0.00 0.00 17 E 7.83 4.22 0.00 2.14 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 2.35 2.34 0.00 18 E 7.89 4.25 0.00 1.59 1.91 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 2.43 1.92 0.00 19 Y 8.34 4.05 0.00 3.25 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 20 P 0.00 4.31 0.00 2.16 2.21 0.00 3.88 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.34 0.00 21 W 8.21 4.15 0.00 3.41 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 22 L 7.67 3.73 0.00 1.80 1.71 0.97 1.02 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 23 A 7.02 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 7.25 3.89 0.00 1.90 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 0.00 2.23 2.23 0.00 25 R 7.46 4.12 0.00 1.91 1.91 0.00 3.08 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.38 0.00 26 D 8.62 4.40 0.00 2.63 2.71 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 27 E 8.02 4.10 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 2.22 2.23 0.00 28 D 7.58 4.59 0.00 2.79 2.54 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 29 G 8.10 3.86 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 0.00 0.00 0.00 30 A 8.22 4.79 1.17 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 0.00 0.00 0.00 31 V 8.44 4.69 2.18 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 0.74 0.00 0.00 0.85 0.00 0.00 32 V 8.78 4.45 1.80 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 0.87 0.00 0.00 -0.03 0.00 0.00 33 T 8.60 5.11 4.32 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 1.47 0.00 0.00 34 F 9.18 4.90 0.00 3.11 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 35 T 7.48 4.98 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 1.46 0.00 0.00 36 G 9.18 4.31 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 37 K 8.41 5.20 0.00 1.61 1.74 0.00 1.74 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.36 7.81 38 V 8.29 3.71 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 0.95 0.00 0.00 0.94 0.00 0.00 39 R 8.77 4.80 0.00 1.44 1.60 0.00 3.35 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.66 0.00 40 N 8.79 4.34 0.00 2.75 2.89 0.00 0.00 6.61 8.16 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 41 H 7.91 4.44 0.00 3.21 3.47 0.00 5.73 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 7.70 4.50 0.00 2.88 2.93 0.00 0.00 6.97 7.55 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 43 L 7.60 4.38 0.00 1.76 1.76 1.03 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.61 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 *48 N 7.69 4.55 0.00 2.78 2.93 0.00 0.00 5.77 7.26 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 49 A 7.91 4.42 -0.21 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 50 L 8.10 4.55 0.00 1.65 1.37 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.28 4.86 4.19 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 1.17 0.00 0.00 52 L 8.60 4.86 0.00 1.56 1.55 0.87 0.64 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 53 E 8.71 4.91 0.00 1.16 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 2.11 2.09 0.00 54 H 7.68 4.48 0.00 2.67 3.01 0.00 5.32 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Y 8.42 4.65 0.00 3.23 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 56 P 0.00 4.44 0.00 2.14 2.02 0.00 3.88 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 2.04 1.94 0.00 57 G 9.37 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 0.00 0.00 0.00 0.00 58 M 7.36 3.89 0.00 1.38 0.83 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.77 0.00 59 T 7.82 3.71 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 0.94 0.00 0.00 60 E 8.00 3.92 0.00 2.19 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 2.40 2.43 0.00 61 K 8.02 3.83 0.00 1.84 1.87 0.00 1.58 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.42 7.81 62 A 8.01 3.91 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 63 L 8.05 3.86 0.00 1.87 1.74 1.04 0.69 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 64 A 8.34 4.03 1.34 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 0.00 0.00 65 E 8.26 3.99 0.00 2.18 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 2.32 2.43 0.00 66 I 7.65 3.44 1.83 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.31 0.76 0.00 0.00 67 V 7.84 3.73 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 1.13 0.00 0.00 1.02 0.00 0.00 68 D 8.27 4.33 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 69 E 8.47 3.95 0.00 2.31 2.40 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 2.65 2.63 0.00 70 A 8.35 4.12 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 0.00 0.00 0.00 0.00 0.00 71 R 8.09 4.11 0.00 2.00 2.03 0.00 3.22 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.94 0.00 72 N 8.10 4.37 0.00 2.90 2.79 0.00 0.00 7.03 7.26 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 73 R 7.15 3.71 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.22 0.00 74 W 7.41 4.96 0.00 3.54 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 75 P 0.00 4.56 0.00 2.21 2.14 0.00 3.98 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 2.07 2.05 0.00 76 L 8.13 4.92 0.00 1.59 1.64 1.05 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.41 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 0.00 0.00 0.00 0.00 78 R 8.84 4.66 0.00 1.57 1.35 0.00 2.26 0.00 0.00 2.25 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.06 0.00 79 V 8.43 4.79 2.16 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 1.11 0.00 0.00 0.96 0.00 0.00 80 T 9.15 5.25 4.47 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 1.36 0.00 0.00 81 V 9.15 4.83 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 1.01 0.00 0.00 0.93 0.00 0.00 82 I 8.92 5.12 1.50 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.64 0.87 0.00 0.00 83 H 9.36 5.27 0.00 3.12 3.13 0.00 5.57 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 R 8.95 5.78 0.00 1.79 1.82 0.00 2.96 0.00 0.00 3.17 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.62 0.00 85 I 7.81 4.49 2.01 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 1.34 0.93 1.01 0.00 0.00 86 G 8.84 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 0.00 0.00 0.00 87 E 8.49 4.63 0.00 1.95 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 1.98 2.05 0.00 88 L 8.56 4.90 0.00 1.49 1.44 0.86 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 89 W 9.73 5.02 0.00 3.29 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 90 P 0.00 4.39 0.00 2.11 2.07 0.00 3.93 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 91 G 8.62 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.14 4.48 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 93 E 8.53 4.61 0.00 1.29 1.79 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 2.24 2.16 0.00 94 I 9.31 4.53 1.76 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 1.42 1.15 0.93 0.00 0.00 95 V 7.89 4.98 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 1.18 0.00 0.00 1.08 0.00 0.00 96 F 9.30 5.25 0.00 2.32 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 0.00 0.00 0.00 0.00 97 V 8.53 4.50 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 0.69 0.00 0.00 0.90 0.00 0.00 98 G 8.99 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 99 V 8.84 4.97 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 0.98 0.00 0.00 0.90 0.00 0.00 100 T 8.12 5.14 4.19 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 1.12 0.00 0.00 101 S 8.53 4.93 0.00 3.85 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 0.00 102 A 8.76 4.11 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 0.00 103 H 7.82 4.99 0.00 3.22 3.13 0.00 5.88 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 R 8.07 3.84 0.00 2.02 2.09 0.00 3.20 0.00 0.00 3.41 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.85 0.00 105 S 8.08 4.27 0.00 4.15 4.30 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 0.00 106 S 8.12 3.84 0.00 4.06 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 0.00 107 A 7.53 3.80 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 0.00 108 F 8.37 4.16 0.00 3.24 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 0.00 109 E 8.18 3.69 0.00 1.18 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 2.40 2.46 0.00 110 A 7.09 3.43 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 0.00 111 G 7.90 3.56 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 0.00 112 Q 7.94 3.93 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 113 F 8.43 4.24 0.00 3.34 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 0.00 114 I 8.40 3.78 1.92 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 1.73 0.86 0.92 0.00 0.00 115 M 7.92 3.97 0.00 1.79 1.99 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.60 0.00 116 D 8.31 4.31 0.00 2.73 2.67 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 0.00 0.00 0.00 0.00 117 Y 7.95 4.13 0.00 2.48 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 0.00 118 L 8.13 4.03 0.00 1.99 1.98 0.95 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 119 K 8.13 4.12 0.00 1.78 1.94 0.00 1.71 0.00 0.00 1.79 0.00 0.00 3.10 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.66 1.58 7.81 120 T 7.67 4.47 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 1.27 0.00 0.00 121 R 8.11 4.60 0.00 2.10 2.13 0.00 3.43 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.08 0.00 122 A 8.05 4.22 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 0.00 123 P 0.00 4.84 0.00 2.42 2.46 0.00 3.18 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 124 F 8.54 5.24 0.00 2.86 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 0.00 125 W 8.11 5.35 0.00 3.46 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 0.00 126 K 8.80 4.58 0.00 1.76 1.83 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.70 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.49 7.81 127 R 9.08 4.09 0.00 1.87 1.92 0.00 3.22 0.00 0.00 3.24 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 128 E 8.81 4.34 0.00 2.01 1.80 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 2.22 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.