NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 4.4818 8.2993 120.0086 58.3432 33.8536 175.4953 12 F 4.7303 8.7740 103.9700 55.8378 38.5086 171.6865 13 R 3.5695 8.2370 126.5087 59.7046 31.4412 178.4463 14 V 3.3193 7.3698 119.6510 64.2148 31.3163 173.9692 15 R 3.4661 7.4428 115.8402 56.6516 27.3160 176.7351 16 N 4.4472 7.9371 117.7903 56.2040 39.9744 179.0552 17 R 4.2603 7.4609 114.6914 54.8258 28.9439 177.6339 18 I 3.5477 8.7017 120.0211 62.5224 35.7392 176.6630 19 K 4.2007 7.6412 119.7691 56.0057 31.2310 177.1031 20 R 4.3326 7.8394 117.9080 55.6664 30.3796 176.4074 21 T 4.5367 8.3295 117.4202 64.4763 72.4873 175.9821 22 G 3.8260 8.2125 107.3879 45.1810 0.0000 175.0991 23 R 3.3428 6.8905 120.1312 58.4641 30.0020 177.5944 24 L 3.5295 7.6635 111.8991 54.5471 37.8984 174.3628 25 R 4.5306 8.1401 126.3505 54.0235 31.2066 177.4933 26 L 4.4359 8.1232 131.7467 53.7476 39.9838 177.4935 27 S 4.0141 8.0696 116.8825 58.9246 64.2673 175.5864 28 V 4.5527 7.6676 129.0062 63.8324 34.5050 174.1161 29 F 4.2997 8.3783 115.7266 57.7569 42.7403 173.8565 30 R 4.6558 8.1448 126.8409 54.9732 31.2740 174.5334 31 S 4.9519 9.0980 123.0550 58.2387 60.5288 173.8703 32 L 4.6477 8.4126 115.6409 53.6878 44.4464 174.0878 33 K 5.3267 7.5150 131.0302 56.9366 35.0853 174.3182 34 H 4.6954 7.6829 115.1548 55.7712 31.1469 172.1267 35 I 4.3116 8.2250 125.9215 61.0213 39.4302 174.2001 36 Y 5.0105 8.1235 126.0216 57.9993 40.7587 174.3661 37 A 4.5925 8.0537 120.5175 52.6242 22.0456 175.4003 38 Q 4.9122 7.5532 120.3412 56.2248 33.8846 172.3044 39 I 5.5209 7.7331 122.0085 58.6262 41.1583 174.8108 40 I 4.8817 8.0793 125.7294 59.5741 41.1606 174.2489 41 D 4.4780 8.6308 126.4803 53.0394 41.2854 176.2998 42 D 4.5598 8.3414 126.8850 55.3204 40.8426 174.2125 43 E 3.7767 8.2903 117.3831 57.2268 28.8686 175.6694 44 K 4.2813 7.9461 123.8305 54.5292 31.6823 177.5490 45 G 4.3024 7.6693 106.5949 45.6081 0.0000 171.3314 46 V 4.4721 7.9752 123.0216 61.8775 35.6058 173.2050 47 T 4.3324 8.2980 121.5984 62.3336 68.3277 174.3603 48 L 4.2811 8.5927 127.7464 55.6574 41.9011 176.8690 49 V 4.4620 7.5078 118.2737 61.6543 33.8722 174.4995 50 S 4.9753 8.1817 120.5126 56.7034 66.0134 173.0957 51 A 4.3770 7.5201 121.1730 51.9303 22.5482 175.6317 52 S 4.8180 8.4059 119.0448 56.9148 66.1964 174.2532 53 S 4.4561 8.2340 117.7507 59.5101 62.5689 177.0934 54 L 3.8006 8.5403 114.8611 58.0462 42.1191 177.4534 55 A 4.4647 7.4308 122.1122 49.7041 15.5722 175.4245 56 L 4.3161 8.8175 127.6176 53.8055 44.3278 168.8497 57 K 3.8513 8.5396 128.6047 55.3504 33.4299 174.7857 58 L 4.4969 8.0515 126.0695 54.4362 45.4242 176.0167 59 K 4.3381 8.4102 117.9811 55.3349 31.0834 180.4043 60 G 4.3171 8.0565 103.6306 45.3377 0.0000 172.0121 61 N 4.4192 7.9818 124.8454 54.7772 41.5455 179.9811 62 K 3.6507 8.6972 113.8574 57.3422 34.6663 176.2990 63 T 3.8747 8.7374 108.7429 64.3669 69.7290 176.4730 64 E 3.7517 8.3776 122.1196 58.9150 29.8800 177.7249 65 V 3.6329 8.4697 118.8315 65.9008 31.5230 176.0031 66 A 4.1394 6.9495 120.1504 53.3649 18.6192 176.0284 67 R 4.6388 7.9301 119.3781 57.9924 29.5659 179.4315 68 Q 4.2121 7.8605 115.5174 59.0286 28.5251 179.0182 69 V 3.7139 8.9053 121.1965 65.1361 31.3821 178.6656 70 G 3.4063 8.0617 105.8837 46.9151 0.0000 175.4450 71 R 3.9984 8.8191 122.1718 60.0165 30.0911 177.4656 72 A 4.0196 8.4388 120.3673 55.1898 18.0583 180.6864 73 L 3.4797 8.2562 112.7359 56.1437 42.1209 179.6277 74 A 3.4655 8.5252 113.2705 55.2699 18.0665 179.5103 75 E 3.7983 6.6935 117.2126 58.3234 30.1607 179.2212 76 K 3.8561 7.8138 116.9807 59.8249 32.2437 178.9169 77 A 4.1051 8.9978 121.1501 55.5089 18.2698 179.6494 78 L 3.6099 8.3274 116.1790 57.9532 41.7762 179.0346 79 A 4.3874 7.4786 117.0959 52.7217 18.3363 177.3700 80 L 4.6806 8.5416 117.9774 54.2222 42.9181 176.6152 81 G 3.8545 8.2851 104.6059 46.9201 0.0000 174.3704 82 I 4.5197 7.6139 118.6739 59.0199 40.6687 176.7478 83 K 4.3265 8.4545 128.8670 57.2930 33.1782 176.3910 84 Q 5.0963 9.2403 116.4049 55.7101 29.0451 176.6419 85 V 4.7433 7.4345 118.6389 60.5732 33.9519 178.0296 86 A 4.6289 8.7311 127.7777 51.8856 21.8001 176.4102 87 F 4.8218 8.6834 123.6547 60.0368 42.9675 173.5632 88 D 4.2230 6.0500 116.0694 54.6510 43.3083 172.7235 89 R 3.7243 8.2872 127.0514 55.7276 29.7389 177.5973 90 G 2.1233 7.6302 107.5146 44.9719 0.0000 172.7357 91 P 4.3231 0.0000 0.0000 64.2099 32.3645 178.0721 92 Y 4.8041 6.6184 113.4480 55.8751 36.6266 177.5961 93 K 5.4360 9.7239 131.7710 57.2848 34.3400 173.2938 94 Y 3.4035 6.8439 115.3065 58.3358 36.7925 169.8764 95 H 3.8267 8.2824 127.0506 57.9110 33.4002 178.2383 96 G 3.8954 8.0731 109.6678 48.6362 0.0000 176.1587 97 R 3.8751 8.2188 116.6750 58.0326 29.9000 175.9821 98 V 3.3688 8.4377 119.6942 62.7106 30.4873 176.0745 99 K 4.0875 8.8161 126.9593 57.6690 33.0061 178.0440 100 A 3.8237 6.9571 121.8371 53.4949 15.7961 176.8146 101 L 4.6496 7.6000 126.5977 53.5006 45.3472 175.1013 102 A 4.0922 9.2173 132.2533 52.3407 18.2987 180.0341 103 E 3.5623 10.2898 118.9465 56.6853 29.3806 176.9391 104 G 3.7179 8.9735 120.8915 46.0759 0.0000 173.8999 105 A 4.2577 8.4021 135.0000 51.8117 18.5500 179.1666 106 R 4.0566 10.2554 120.6481 57.3457 30.7498 175.3323 107 E 3.6443 8.7226 121.0699 56.4704 29.8611 172.8121 108 G 3.6682 8.3977 106.4590 46.5765 0.0000 174.1497 *109 G 3.7078 8.1980 113.3870 45.4318 0.0000 173.5152 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 11 K 8.30 4.48 0.00 2.00 2.02 0.00 1.62 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.41 7.81 12 F 8.77 4.73 0.00 3.22 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 13 R 8.24 3.57 0.00 1.71 1.96 0.00 3.39 0.00 0.00 3.14 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 14 V 7.37 3.32 1.78 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 0.62 0.00 0.00 0.93 0.00 0.00 15 R 7.44 3.47 0.00 1.84 2.00 0.00 3.32 0.00 0.00 3.29 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 16 N 7.94 4.45 0.00 2.46 2.83 0.00 0.00 7.22 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 17 R 7.46 4.26 0.00 1.83 1.66 0.00 3.05 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.57 0.00 18 I 8.70 3.55 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.25 0.89 0.00 0.00 19 K 7.64 4.20 0.00 1.71 1.80 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.46 7.81 20 R 7.84 4.33 0.00 1.82 1.86 0.00 3.33 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 21 T 8.33 4.54 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 1.21 0.00 0.00 22 G 8.21 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 23 R 6.89 3.34 0.00 1.99 1.94 0.00 3.27 0.00 0.00 3.23 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 24 L 7.66 3.53 0.00 1.77 1.98 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.14 4.53 0.00 1.76 2.18 0.00 3.07 0.00 0.00 3.46 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 26 L 8.12 4.44 0.00 1.82 1.40 1.23 1.11 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 27 S 8.07 4.01 0.00 3.90 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 28 V 7.67 4.55 2.15 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 0.96 0.00 0.00 1.03 0.00 0.00 29 F 8.38 4.30 0.00 3.10 2.83 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 30 R 8.14 4.66 0.00 1.84 1.71 0.00 3.42 0.00 0.00 3.22 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 31 S 9.10 4.95 0.00 4.24 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 32 L 8.41 4.65 0.00 1.70 1.66 0.95 0.81 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 33 K 7.52 5.33 0.00 1.85 1.86 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.24 1.28 7.81 34 H 7.68 4.70 0.00 3.16 3.29 0.00 5.80 0.00 0.00 0.00 0.00 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.23 4.31 2.01 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.91 0.97 0.00 0.00 36 Y 8.12 5.01 0.00 2.70 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 37 A 8.05 4.59 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 38 Q 7.55 4.91 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.70 0.00 0.00 0.00 0.00 0.00 2.11 2.40 0.00 39 I 7.73 5.52 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.39 0.92 0.00 0.00 40 I 8.08 4.88 1.85 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 1.33 1.28 0.93 0.00 0.00 41 D 8.63 4.48 0.00 2.84 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 42 D 8.34 4.56 0.00 2.68 2.64 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 43 E 8.29 3.78 0.00 2.11 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 2.21 2.30 0.00 44 K 7.95 4.28 0.00 1.73 1.77 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.42 7.81 45 G 7.67 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 46 V 7.98 4.47 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 0.93 0.00 0.00 0.95 0.00 0.00 47 T 8.30 4.33 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 1.31 0.00 0.00 48 L 8.59 4.28 0.00 1.53 1.64 0.97 1.00 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 49 V 7.51 4.46 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 1.03 0.00 0.00 0.94 0.00 0.00 50 S 8.18 4.98 0.00 3.86 3.77 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 51 A 7.52 4.38 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 52 S 8.41 4.82 0.00 3.56 3.72 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 53 S 8.23 4.46 0.00 3.92 3.49 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 54 L 8.54 3.80 0.00 1.60 1.61 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.43 4.46 1.05 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 0.00 0.00 56 L 8.82 4.32 0.00 1.65 1.77 0.92 0.68 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 57 K 8.54 3.85 0.00 1.87 1.82 0.00 1.91 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.35 7.81 58 L 8.05 4.50 0.00 1.57 1.55 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.41 4.34 0.00 1.78 1.34 0.00 1.96 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 60 G 8.06 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 0.00 0.00 0.00 0.00 61 N 7.98 4.42 0.00 2.70 2.70 0.00 0.00 7.05 6.97 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 62 K 8.70 3.65 0.00 2.05 1.93 0.00 1.65 0.00 0.00 1.89 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.38 7.81 63 T 8.74 3.87 4.24 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 1.22 0.00 0.00 64 E 8.38 3.75 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 2.32 2.30 0.00 65 V 8.47 3.63 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 0.89 0.00 0.00 0.97 0.00 0.00 66 A 6.95 4.14 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 67 R 7.93 4.64 0.00 2.10 2.06 0.00 3.14 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.55 0.00 68 Q 7.86 4.21 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.87 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 69 V 8.91 3.71 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 0.89 0.00 0.00 0.98 0.00 0.00 70 G 8.06 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 0.00 0.00 0.00 71 R 8.82 4.00 0.00 1.97 1.92 0.00 3.30 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 72 A 8.44 4.02 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 73 L 8.26 3.48 0.00 1.79 1.64 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.53 3.47 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 75 E 6.69 3.80 0.00 2.09 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 2.71 0.00 76 K 7.81 3.86 0.00 1.88 1.91 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.17 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.84 1.64 7.81 77 A 9.00 4.11 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 78 L 8.33 3.61 0.00 1.73 1.80 0.93 0.94 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 79 A 7.48 4.39 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 80 L 8.54 4.68 0.00 1.48 1.63 0.94 0.86 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 81 G 8.29 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 82 I 7.61 4.52 1.89 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 1.42 0.93 0.93 0.00 0.00 83 K 8.45 4.33 0.00 1.75 1.12 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.21 1.43 7.81 84 Q 9.24 5.10 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 85 V 7.43 4.74 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.05 0.00 0.00 86 A 8.73 4.63 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 87 F 8.68 4.82 0.00 3.14 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 88 D 6.05 4.22 0.00 2.58 2.34 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 89 R 8.29 3.72 0.00 1.76 1.79 0.00 3.15 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.51 0.00 90 G 7.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.32 0.00 2.17 2.03 0.00 3.53 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.74 0.00 92 Y 6.62 4.80 0.00 3.10 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 93 K 9.72 5.44 0.00 1.97 1.93 0.00 1.97 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.15 7.81 94 Y 6.84 3.40 0.00 2.46 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 95 H 8.28 3.83 0.00 3.15 2.97 0.00 5.88 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.07 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 97 R 8.22 3.88 0.00 2.10 2.27 0.00 3.36 0.00 0.00 3.54 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.83 0.00 98 V 8.44 3.37 1.97 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 0.87 0.00 0.00 0.56 0.00 0.00 99 K 8.82 4.09 0.00 1.92 1.90 0.00 1.81 0.00 0.00 1.96 0.00 0.00 3.08 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.75 1.52 7.81 100 A 6.96 3.82 1.42 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 0.00 101 L 7.60 4.65 0.00 1.79 1.59 0.98 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 102 A 9.22 4.09 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 0.00 103 E 10.29 3.56 0.00 2.10 1.78 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 2.24 2.24 0.00 104 G 8.97 3.72 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 0.00 0.00 0.00 105 A 8.40 4.26 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 0.00 106 R 10.26 4.06 0.00 1.86 2.14 0.00 3.64 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.01 0.00 107 E 8.72 3.64 0.00 2.11 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 2.18 2.32 0.00 108 G 8.40 3.67 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 0.00 0.00 0.00 *109 G 8.20 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 * Residues marked with a * may have inaccurate shift predictions.