NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3077 8.3049 118.1873 55.2643 32.3303 174.1250 2 E 4.0788 8.5943 120.4503 54.0705 29.7144 174.0329 3 R 3.1160 8.1618 125.7484 55.7236 30.7520 175.2520 4 P 4.6675 0.0000 0.0000 62.0668 30.8068 175.9704 5 W 4.5558 6.9306 112.2224 56.6871 30.9443 174.6628 6 K 4.1444 9.1531 121.1577 59.0611 31.8320 175.9108 7 C 5.1307 7.6587 109.6762 54.0018 39.4464 173.3170 8 C 4.7652 8.2639 116.0362 56.1397 46.0258 172.9459 9 D 4.8841 8.4105 126.8862 56.5647 41.8080 177.7754 10 N 4.6182 7.8876 122.7279 53.2410 38.0659 171.8662 11 I 4.4254 7.7958 122.7911 59.3614 38.9177 174.7315 12 K 4.6444 8.8709 129.0710 54.9000 34.4722 174.7994 13 R 5.0426 8.4173 126.0844 54.2066 30.6758 175.6234 14 L 4.2849 8.2855 126.3340 54.3480 42.4643 176.6594 15 P 4.3313 0.0000 0.0000 64.6974 31.8891 176.9698 16 T 3.9189 6.7294 106.7571 62.1344 68.9263 173.6647 17 K 4.4695 8.0451 119.9489 55.3641 32.8681 174.5174 18 P 4.6106 0.0000 0.0000 61.6761 33.6626 174.0558 19 D 4.6269 8.4972 117.2229 52.1539 43.1254 173.6621 20 P 4.6772 0.0000 0.0000 61.3778 32.7509 173.7611 21 P 4.1143 0.0000 0.0000 62.7821 32.8772 175.3646 22 Q 4.8714 7.7771 119.3478 54.0049 31.4349 175.0124 23 W 5.4981 10.1424 123.6129 54.9206 33.6143 174.3455 24 R 5.3570 9.1780 121.0643 54.8478 32.3268 173.1775 25 C 4.3583 8.5465 123.4217 55.3215 43.8669 172.4371 26 N 4.4657 9.3612 126.1036 50.6358 38.1244 173.6414 27 D 4.0292 8.3430 118.9166 55.1034 40.3612 173.4275 28 E 3.7940 8.5348 122.6054 58.2181 29.7939 178.6637 29 L 3.7832 7.7489 118.8628 53.9321 41.0686 173.3862 30 E 4.7152 8.2092 118.6430 53.6333 32.8379 174.7624 31 P 4.5923 0.0000 0.0000 61.7442 29.4717 176.8294 32 S 4.0894 7.6142 113.5010 62.4185 63.2783 175.2093 33 Q 4.2281 7.8581 120.2385 55.1254 32.0070 177.0752 34 C 4.2006 7.5224 112.1481 58.2636 41.8596 172.8419 *38 C 4.7004 7.4845 127.9263 56.1333 40.7627 176.0042 39 K 4.4443 8.1130 123.9914 57.4766 36.3091 175.5516 40 S 4.8506 7.4097 113.3747 58.3291 64.4943 176.7611 41 C 5.2160 8.5802 119.5785 55.7817 44.2780 174.0770 42 R 4.1105 8.1729 120.2802 58.3006 30.3121 177.0870 *53 I 4.1247 7.1717 109.6855 61.0022 39.6143 174.5644 54 C 4.7044 8.0417 120.7698 54.7101 44.3584 173.9055 55 E 4.4510 8.4001 128.1054 55.0495 27.2890 174.8503 56 D 4.8345 8.0751 122.7373 53.2066 44.7713 174.0882 57 I 4.8251 8.4979 126.9006 60.1179 38.8121 174.3710 58 Y 4.6034 9.0590 128.7938 56.2697 40.5921 174.0710 59 W 4.9680 7.7431 135.0000 56.4207 32.4738 174.0650 60 G 3.8732 8.5942 112.3214 45.7944 0.0000 172.3462 61 A 4.3646 9.2515 122.7372 54.9180 18.4541 177.3730 62 D 4.6401 8.0471 115.7489 52.3255 41.7058 174.0788 63 P 4.1006 0.0000 0.0000 62.7172 31.2720 176.8684 64 G 3.8747 9.3080 105.9678 44.8822 0.0000 171.7879 65 P 4.4033 0.0000 0.0000 61.5045 32.6437 175.5700 66 F 5.2082 8.2002 116.9191 56.4126 39.8665 176.7029 67 C 4.5479 8.7415 119.5587 58.5969 40.4988 174.6746 68 T 4.5302 7.8949 108.8651 58.6575 70.3117 171.7874 69 P 4.3667 0.0000 0.0000 62.8863 31.5679 175.3525 70 R 4.2379 7.7832 115.8849 53.5911 33.4981 175.1120 71 P 3.9192 0.0000 0.0000 65.5744 31.2779 177.7448 72 W 4.3109 6.5817 115.0768 57.8086 29.1644 176.5641 73 G 4.2232 11.0603 111.7029 44.9827 0.0000 173.1263 74 D 4.7541 7.1962 120.7345 52.7495 47.3800 174.2462 75 C 5.0668 7.7493 115.3579 54.2495 44.5776 174.1302 76 C 4.7748 8.1945 117.5212 56.1479 46.4140 174.4881 77 D 4.2258 9.0426 128.0749 56.4207 40.7033 176.4445 78 K 4.2453 7.8680 118.3381 54.0434 32.2920 173.8060 79 A 4.4247 7.9837 124.9966 49.5785 19.8150 176.2269 80 F 4.0151 8.5359 124.3865 59.8477 39.7578 173.7537 81 C 4.9614 8.9141 118.0295 57.5905 43.9861 174.6850 82 N 4.9173 8.7334 113.2744 54.2377 40.4167 175.3549 83 K 4.4958 7.6845 121.4571 59.9935 32.8080 178.0147 84 M 4.2580 7.9639 119.3408 54.5124 32.0084 173.9660 85 N 5.1415 8.5696 116.2974 51.3011 39.1090 172.5604 86 P 4.9141 0.0000 0.0000 61.7117 32.0103 173.6537 87 P 4.1306 0.0000 0.0000 66.5566 31.4192 176.9158 88 T 3.3523 7.9972 111.3656 64.2975 66.1276 171.1983 89 C 3.9779 7.7004 118.9259 56.7960 39.8008 174.1719 90 R 5.9498 7.8880 128.1918 56.9806 28.9455 176.5970 91 C 4.5242 7.1270 127.5001 56.7672 44.3428 172.4860 *95 V 4.1657 7.9545 110.2504 61.7502 32.9740 173.0470 96 K 4.6619 8.1175 124.7738 57.2652 32.0460 179.3770 97 E 4.1343 9.0472 127.0784 56.9488 30.1613 177.8704 98 C 4.6502 8.4490 121.9939 56.4859 40.1557 172.5041 99 A 4.9171 7.9359 121.6620 51.1017 21.7354 177.7619 100 D 5.0297 8.1554 119.4251 55.8201 40.0084 177.9357 101 A 4.2111 7.2022 119.6072 52.3692 19.7530 176.1924 102 C 4.4598 8.9515 114.7799 57.1372 43.7694 172.6184 103 K 4.3499 8.2309 119.8318 56.8439 33.8359 175.4335 104 D 4.6645 8.0732 115.9408 54.3272 42.3810 175.7056 105 C 4.0837 8.2014 118.4417 57.1955 43.9890 172.8433 106 Q 4.7180 7.9665 122.3109 55.3881 31.9058 175.7501 107 R 4.3416 8.7020 123.3866 56.1284 29.5570 175.0189 108 V 4.1874 8.0357 114.9359 60.9423 34.4540 173.2067 109 E 3.8510 9.0792 118.0900 59.7287 28.4816 178.2369 110 S 4.0726 7.0548 112.9076 59.1815 63.2536 173.8529 111 S 4.8081 7.7490 114.5117 57.0881 66.1968 174.2820 112 E 4.4296 8.2618 118.2790 54.3388 27.9805 175.2846 *118 C 4.4334 8.0544 124.2849 56.5115 44.9984 173.5449 119 K 4.7419 8.6225 127.9556 52.9662 32.1347 172.7874 120 D 5.0751 8.3918 123.2317 51.3152 44.2432 177.3136 121 R 4.0828 8.6186 121.3413 58.5374 30.4677 177.3048 122 F 4.3891 7.3780 120.6910 58.7490 40.1443 175.0641 123 T 4.4476 7.5456 117.5785 61.2159 70.4553 174.6101 124 G 3.6501 7.9446 107.1985 45.8158 0.0000 172.5730 125 H 3.9956 8.0516 116.7166 54.8478 28.2868 173.4182 126 P 3.9473 0.0000 0.0000 62.5006 31.8826 177.2758 127 G 4.4915 8.2949 107.8723 45.5507 0.0000 170.3846 128 P 4.7757 0.0000 0.0000 63.0374 33.4353 175.4191 129 V 4.9801 8.0757 112.9906 60.2319 33.5228 176.8450 130 C 4.5628 9.0341 117.2871 58.8705 41.0803 174.4145 131 K 4.1983 9.7482 123.2345 56.5165 31.7231 176.4145 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 M 8.30 4.31 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.44 0.00 2 E 8.59 4.08 0.00 2.04 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 2.23 2.28 0.00 3 R 8.16 3.12 0.00 1.17 1.35 0.00 2.82 0.00 0.00 3.03 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 4 P 0.00 4.67 0.00 2.31 2.08 0.00 2.88 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 1.05 1.79 0.00 5 W 6.93 4.56 0.00 3.27 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 6 K 9.15 4.14 0.00 1.80 1.93 0.00 1.61 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.48 7.81 7 C 7.66 5.13 0.00 3.08 3.04 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 8 C 8.26 4.77 0.00 1.91 2.42 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 9 D 8.41 4.88 0.00 2.93 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 10 N 7.89 4.62 0.00 2.64 2.96 0.00 0.00 6.81 7.22 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 11 I 7.80 4.43 1.79 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.43 0.89 0.00 0.00 12 K 8.87 4.64 0.00 1.94 1.72 0.00 1.51 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.47 7.81 13 R 8.42 5.04 0.00 2.00 1.83 0.00 2.84 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 1.32 1.14 0.00 14 L 8.29 4.28 0.00 1.65 1.43 1.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.33 0.00 2.12 2.13 0.00 3.71 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 1.91 1.90 0.00 16 T 6.73 3.92 4.03 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 1.07 0.00 0.00 17 K 8.05 4.47 0.00 1.66 1.75 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.25 1.29 7.81 18 P 0.00 4.61 0.00 2.24 1.82 0.00 3.49 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.07 0.00 19 D 8.50 4.63 0.00 2.63 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 4.68 0.00 2.58 2.19 0.00 3.91 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.03 0.00 21 P 0.00 4.11 0.00 0.62 1.02 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.87 0.00 22 Q 7.78 4.87 0.00 1.62 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 1.16 1.53 0.00 23 W 10.14 5.50 0.00 3.41 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.18 5.36 0.00 2.00 1.84 0.00 3.09 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 25 C 8.55 4.36 0.00 1.23 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 26 N 9.36 4.47 0.00 2.78 2.63 0.00 0.00 6.79 8.83 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 27 D 8.34 4.03 0.00 2.59 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 28 E 8.53 3.79 0.00 1.95 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 0.00 2.32 2.30 0.00 29 L 7.75 3.78 0.00 1.80 1.73 0.95 0.78 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 30 E 8.21 4.72 0.00 1.86 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 2.18 2.21 0.00 31 P 0.00 4.59 0.00 2.23 2.13 0.00 3.86 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 2.00 1.97 0.00 32 S 7.61 4.09 0.00 4.01 4.01 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 33 Q 7.86 4.23 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.71 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 34 C 7.52 4.20 0.00 3.10 3.41 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 *38 C 7.48 4.70 0.00 3.10 2.79 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 39 K 8.11 4.44 0.00 2.11 1.80 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.40 7.81 40 S 7.41 4.85 0.00 4.12 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 41 C 8.58 5.22 0.00 2.94 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 42 R 8.17 4.11 0.00 1.85 1.98 0.00 3.27 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 *53 I 7.17 4.12 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.53 0.96 0.00 0.00 54 C 8.04 4.70 0.00 3.05 3.12 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 55 E 8.40 4.45 0.00 2.02 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 2.39 2.33 0.00 56 D 8.08 4.83 0.00 2.75 2.69 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 57 I 8.50 4.83 1.96 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 1.35 0.82 1.06 0.00 0.00 58 Y 9.06 4.60 0.00 2.56 2.79 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 59 W 7.74 4.97 0.00 3.27 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 60 G 8.59 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 61 A 9.25 4.36 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 62 D 8.05 4.64 0.00 2.67 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 63 P 0.00 4.10 0.00 1.48 0.49 0.00 3.40 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.54 0.00 64 G 9.31 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.40 0.00 2.25 2.19 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 66 F 8.20 5.21 0.00 3.12 3.08 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 67 C 8.74 4.55 0.00 3.30 3.16 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 68 T 7.89 4.53 4.14 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 1.18 0.00 0.00 69 P 0.00 4.37 0.00 2.11 2.13 0.00 3.65 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 1.88 1.97 0.00 70 R 7.78 4.24 0.00 1.83 0.68 0.00 2.69 0.00 0.00 3.66 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.42 0.00 71 P 0.00 3.92 0.00 1.29 2.20 0.00 2.52 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.97 0.00 72 W 6.58 4.31 0.00 3.52 3.22 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 73 G 11.06 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 74 D 7.20 4.75 0.00 2.67 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 75 C 7.75 5.07 0.00 3.25 3.13 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 0.00 76 C 8.19 4.77 0.00 2.98 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 77 D 9.04 4.23 0.00 2.73 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 78 K 7.87 4.25 0.00 1.71 1.73 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.33 7.81 79 A 7.98 4.42 0.99 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 0.00 0.00 80 F 8.54 4.02 0.00 3.03 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 81 C 8.91 4.96 0.00 2.93 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 82 N 8.73 4.92 0.00 2.74 2.73 0.00 0.00 6.83 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 K 7.68 4.50 0.00 1.87 1.91 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.47 7.81 84 M 7.96 4.26 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.50 0.00 85 N 8.57 5.14 0.00 2.78 2.79 0.00 0.00 5.69 7.75 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 86 P 0.00 4.91 0.00 2.13 2.10 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.89 0.00 87 P 0.00 4.13 0.00 2.34 2.22 0.00 3.88 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 2.21 2.00 0.00 88 T 8.00 3.35 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 1.17 0.00 0.00 89 C 7.70 3.98 0.00 2.92 3.19 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 90 R 7.89 5.95 0.00 2.36 2.20 0.00 3.06 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.32 0.00 91 C 7.13 4.52 0.00 2.53 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 *95 V 7.95 4.17 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 0.81 0.00 0.00 0.97 0.00 0.00 96 K 8.12 4.66 0.00 1.70 0.78 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.40 7.81 97 E 9.05 4.13 0.00 1.93 1.85 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 2.29 2.28 0.00 98 C 8.45 4.65 0.00 3.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.94 4.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.16 5.03 0.00 2.74 2.77 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 0.00 0.00 0.00 101 A 7.20 4.21 1.07 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 0.00 102 C 8.95 4.46 0.00 3.01 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 0.00 103 K 8.23 4.35 0.00 1.72 1.70 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.17 1.28 7.81 104 D 8.07 4.66 0.00 2.76 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 0.00 105 C 8.20 4.08 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 0.00 106 Q 7.97 4.72 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.71 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 107 R 8.70 4.34 0.00 2.12 1.94 0.00 3.18 0.00 0.00 3.40 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 108 V 8.04 4.19 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 0.76 0.00 0.00 0.94 0.00 0.00 109 E 9.08 3.85 0.00 2.10 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 2.30 2.30 0.00 110 S 7.05 4.07 0.00 3.99 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 0.00 111 S 7.75 4.81 0.00 4.00 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 0.00 112 E 8.26 4.43 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 2.18 1.85 0.00 *118 C 8.05 4.43 0.00 2.97 3.10 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 0.00 119 K 8.62 4.74 0.00 1.80 1.58 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.27 1.00 7.81 120 D 8.39 5.08 0.00 2.63 2.49 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 0.00 0.00 0.00 0.00 121 R 8.62 4.08 0.00 1.83 2.02 0.00 3.38 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 122 F 7.38 4.39 0.00 2.95 2.77 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 0.00 0.00 0.00 123 T 7.55 4.45 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 1.14 0.00 0.00 124 G 7.94 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 0.00 0.00 0.00 125 H 8.05 4.00 0.00 3.37 3.49 0.00 5.74 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 0.00 126 P 0.00 3.95 0.00 1.92 1.53 0.00 3.74 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.82 0.00 127 G 8.29 4.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.78 0.00 2.19 2.31 0.00 3.86 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.04 0.00 129 V 8.08 4.98 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 0.97 0.00 0.00 0.99 0.00 0.00 130 C 9.03 4.56 0.00 3.31 3.16 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 0.00 131 K 9.75 4.20 0.00 1.70 1.73 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.60 7.81 * Residues marked with a * may have inaccurate shift predictions.