NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6256 8.1627 120.3582 54.7291 33.4941 174.4310 2 Q 3.7055 8.8339 124.0420 57.2899 29.4689 176.1053 3 F 4.2907 10.0317 123.9745 57.7304 38.6408 173.7370 4 K 4.7633 7.6776 121.0878 55.1312 34.1230 175.8467 5 V 4.5757 8.2304 117.6927 60.1257 33.8214 174.7806 6 Y 5.2577 8.1990 121.2061 55.7284 42.4387 174.1459 7 T 4.9071 7.9166 115.9621 61.9968 71.9216 173.7472 8 Y 4.6637 8.7826 117.0655 59.5983 38.6702 176.5769 *15 R 3.8879 7.5718 124.4009 56.1400 30.2991 173.7810 16 L 4.7085 7.7958 125.3375 53.4296 44.2657 175.6917 17 F 5.4014 8.0367 115.2452 55.8080 41.8813 172.9697 18 V 4.7115 9.0275 121.5513 61.3668 33.5158 174.2106 19 D 5.0234 9.1255 128.7065 54.4392 41.8675 176.4421 20 V 4.3138 8.4880 118.2306 61.0285 32.8328 175.9283 21 Q 4.1849 8.1526 122.2359 54.8853 29.6735 175.6078 22 S 4.1566 8.3632 117.9000 58.7570 62.9004 174.7154 23 D 4.5741 8.4532 124.6069 55.8437 41.0049 177.1467 24 I 3.9288 7.6698 118.2538 61.4724 38.3242 175.1295 25 I 4.2349 7.1765 119.5249 60.1489 37.4925 174.6291 26 D 4.7982 8.3752 126.1750 52.7284 41.8377 177.0099 27 T 4.0019 8.7277 122.0695 65.6520 68.6218 173.6660 28 P 4.5510 0.0000 0.0000 63.4964 32.6526 177.0793 29 G 3.5851 8.0273 105.8230 48.1162 0.0000 172.8637 30 R 5.4053 7.3450 117.7285 54.6375 34.6301 174.6611 31 R 4.5850 8.4410 118.6420 55.4537 34.0946 173.9353 32 M 4.7386 8.6823 126.1454 55.4664 33.2906 175.4392 33 V 5.0651 8.8222 122.2097 61.3288 36.1642 173.7942 34 I 4.8838 8.7928 126.7141 58.6520 39.8417 173.5964 35 P 5.0148 0.0000 0.0000 62.9175 32.6957 175.1125 36 L 5.4394 8.5228 120.8857 53.2142 44.0476 175.8087 37 A 5.0495 9.0431 123.1569 49.7362 23.2331 175.6369 38 S 3.5772 8.7182 114.2672 58.0284 62.7883 175.3577 39 A 4.0422 8.2504 130.9252 55.0843 18.3801 179.7861 40 R 3.8928 7.7178 114.0580 59.1623 30.2670 178.1582 41 L 4.0862 7.7430 116.9986 56.3581 41.8000 177.0514 42 L 4.6977 7.1553 118.2033 52.3850 44.0543 176.6008 43 S 4.4022 8.2460 117.1411 57.8989 63.9248 174.0963 44 D 4.7303 8.4079 118.5699 53.8534 39.1694 177.3627 45 K 4.1394 7.5852 120.2103 58.3102 32.4964 177.5771 46 V 3.7077 7.2488 119.6162 61.9636 32.0472 175.3932 47 S 4.0538 8.9348 120.7141 59.4561 62.1797 174.7831 48 R 4.6634 8.5647 124.5924 56.4496 30.5066 178.1158 49 E 4.0683 8.0873 118.1916 58.3157 30.0796 178.1298 50 L 3.9633 7.5912 118.9280 56.4053 42.8171 175.9847 51 Y 5.1871 7.9449 115.9199 53.7088 37.8119 173.4003 52 P 4.6437 0.0000 0.0000 62.4534 33.2669 176.3179 53 V 4.7211 8.2988 121.4311 61.8380 32.7119 175.3071 54 V 4.6357 9.1359 120.9505 59.8519 35.5043 174.1302 55 H 5.5464 8.8119 119.0820 54.2730 31.1048 173.8651 56 I 4.5228 8.6586 123.6567 60.4523 40.9084 174.7957 57 G 4.1653 8.7577 115.0123 47.0028 0.0000 173.3957 58 D 4.9651 8.7396 120.7124 53.9919 41.9314 175.7554 59 E 4.7200 7.9687 115.4025 54.0346 33.3263 174.8637 60 S 5.1678 8.0402 116.6730 57.0719 65.3840 173.2928 61 W 5.3608 9.3937 122.8026 55.0454 33.6126 174.2089 62 R 5.0720 9.4374 122.1083 54.9257 31.8477 175.4275 63 M 4.5136 8.9594 124.0105 54.7442 33.0624 176.7641 64 M 4.9355 8.9576 127.9960 53.7616 31.1894 176.8750 65 T 3.8388 8.3046 120.3358 67.0040 69.0957 176.4723 66 T 4.1084 7.9680 106.9305 63.0236 68.7561 174.0703 67 D 4.9309 7.9939 121.9167 54.1853 41.4750 175.7617 68 M 4.4148 7.4596 118.3273 56.7808 32.8216 175.2410 69 A 4.6194 8.8796 124.3729 50.9759 23.5742 175.0402 70 S 4.8597 8.5306 114.8369 57.3017 63.4656 173.4564 71 V 4.4689 8.2457 127.5936 60.0076 34.3021 173.1924 72 P 4.8032 0.0000 0.0000 62.4504 32.2822 177.7636 73 V 3.5777 8.5403 115.5450 64.4452 31.5967 178.3483 74 S 4.2570 7.9557 112.3515 59.7823 63.0415 174.6215 75 V 3.9068 7.5811 120.3788 62.7898 32.1309 174.9732 76 I 4.3045 7.3713 120.7184 61.6301 37.5955 175.4839 77 G 4.2968 8.9519 124.2759 46.2454 0.0000 173.7253 78 E 4.3997 8.8581 124.2099 56.0252 30.8804 175.6132 79 E 4.0961 8.8453 124.7157 56.4198 29.7724 176.2028 80 V 4.2209 8.3638 126.3504 64.0493 33.7254 174.8798 81 A 4.4378 7.1352 119.3027 51.1168 22.7340 174.6484 82 D 4.8358 8.5743 118.1903 52.3309 43.6257 175.2426 83 L 4.5701 9.0628 127.3197 54.5283 42.4933 179.1099 84 S 3.8829 8.6731 119.0488 62.0090 62.8478 176.6286 85 H 4.3090 8.0689 113.5593 57.4869 28.6464 176.4402 86 R 4.3494 7.6613 119.4186 55.7920 29.9720 177.0640 87 E 3.0242 7.4694 122.3332 59.4998 29.4067 178.9373 88 N 4.3024 7.9540 115.4600 56.5746 38.7946 177.0571 89 D 4.3942 7.9414 119.7133 57.2601 41.0530 178.8027 90 I 3.7717 7.7843 120.5030 64.1488 37.1469 178.3375 91 K 4.0681 8.4274 120.8959 59.7171 32.0796 178.6271 92 N 4.3836 8.3328 116.5514 56.1483 38.4143 177.3293 93 A 4.1369 7.8527 123.3089 54.6576 18.5755 179.8177 94 I 3.5386 7.6165 117.8227 64.6810 37.1689 178.5489 95 N 4.5655 8.4083 117.2969 56.0282 38.2953 177.3825 96 L 3.9152 7.9800 122.0476 58.2847 41.9949 178.6096 97 M 3.7180 7.5331 116.9965 58.1533 32.0873 177.8081 98 F 4.0249 7.1410 116.3876 59.2991 39.7396 177.4035 99 W 5.1490 7.7014 116.2738 55.1977 28.9626 176.6402 100 G 4.0263 8.1267 106.6945 49.0125 0.0000 173.7661 101 I 3.8897 7.2852 116.6653 59.5978 37.5390 174.6368 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 8.16 4.63 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.58 0.00 2 Q 8.83 3.71 0.00 1.92 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 5.87 0.00 0.00 0.00 0.00 0.00 1.16 1.62 0.00 3 F 10.03 4.29 0.00 3.30 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 4 K 7.68 4.76 0.00 1.65 1.20 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.58 7.81 5 V 8.23 4.58 1.95 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 0.59 0.00 0.00 0.61 0.00 0.00 6 Y 8.20 5.26 0.00 2.16 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.92 4.91 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 1.24 0.00 0.00 8 Y 8.78 4.66 0.00 2.92 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 *15 R 7.57 3.89 0.00 1.66 1.46 0.00 3.12 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.33 0.00 16 L 7.80 4.71 0.00 1.17 1.13 0.65 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.04 5.40 0.00 3.25 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 18 V 9.03 4.71 2.20 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 1.13 0.00 0.00 0.96 0.00 0.00 19 D 9.13 5.02 0.00 3.20 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 20 V 8.49 4.31 2.13 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 0.87 0.00 0.00 1.04 0.00 0.00 21 Q 8.15 4.18 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 22 S 8.36 4.16 0.00 3.87 3.70 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 23 D 8.45 4.57 0.00 2.70 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 24 I 7.67 3.93 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.77 0.91 0.00 0.00 25 I 7.18 4.23 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 1.28 1.01 0.89 0.00 0.00 26 D 8.38 4.80 0.00 2.64 2.59 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 27 T 8.73 4.00 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 1.18 0.00 0.00 28 P 0.00 4.55 0.00 2.18 2.27 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 29 G 8.03 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 30 R 7.34 5.41 0.00 1.69 1.77 0.00 3.15 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 31 R 8.44 4.59 0.00 1.83 1.62 0.00 3.10 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 32 M 8.68 4.74 0.00 2.00 1.97 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 2.69 2.47 0.00 33 V 8.82 5.07 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 0.70 0.00 0.00 0.75 0.00 0.00 34 I 8.79 4.88 1.96 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 1.32 0.65 1.00 0.00 0.00 35 P 0.00 5.01 0.00 2.19 2.26 0.00 3.71 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.04 0.00 36 L 8.52 5.44 0.00 1.46 1.76 0.54 0.53 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 37 A 9.04 5.05 1.25 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 38 S 8.72 3.58 0.00 3.46 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 39 A 8.25 4.04 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 40 R 7.72 3.89 0.00 1.69 1.92 0.00 3.14 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 41 L 7.74 4.09 0.00 1.74 1.68 0.87 0.99 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 42 L 7.16 4.70 0.00 1.48 1.45 0.83 0.54 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 43 S 8.25 4.40 0.00 3.98 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 44 D 8.41 4.73 0.00 2.79 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 45 K 7.59 4.14 0.00 1.72 1.90 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.36 7.81 46 V 7.25 3.71 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 0.60 0.00 0.00 0.85 0.00 0.00 47 S 8.93 4.05 0.00 3.95 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 48 R 8.56 4.66 0.00 1.94 1.97 0.00 3.46 0.00 0.00 3.32 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 49 E 8.09 4.07 0.00 2.01 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 2.38 2.30 0.00 50 L 7.59 3.96 0.00 1.36 1.39 0.58 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.94 5.19 0.00 3.09 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 52 P 0.00 4.64 0.00 2.14 2.20 0.00 3.95 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 2.11 1.83 0.00 53 V 8.30 4.72 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 0.75 0.00 0.00 0.95 0.00 0.00 54 V 9.14 4.64 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 0.68 0.00 0.00 1.06 0.00 0.00 55 H 8.81 5.55 0.00 3.04 3.28 0.00 5.84 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.66 4.52 1.91 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.89 0.84 0.00 0.00 57 G 8.76 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 0.00 0.00 0.00 0.00 58 D 8.74 4.97 0.00 2.64 2.65 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 59 E 7.97 4.72 0.00 2.10 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 2.09 2.24 0.00 60 S 8.04 5.17 0.00 3.64 3.66 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 0.00 0.00 0.00 0.00 61 W 9.39 5.36 0.00 3.16 3.07 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 62 R 9.44 5.07 0.00 1.85 1.88 0.00 3.36 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 63 M 8.96 4.51 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.59 0.00 64 M 8.96 4.94 0.00 2.12 2.19 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 2.73 0.00 65 T 8.30 3.84 3.92 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 1.03 0.00 0.00 66 T 7.97 4.11 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 1.11 0.00 0.00 67 D 7.99 4.93 0.00 2.85 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 68 M 7.46 4.41 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.56 0.00 69 A 8.88 4.62 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 70 S 8.53 4.86 0.00 3.86 3.75 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 71 V 8.25 4.47 1.71 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 0.66 0.00 0.00 0.68 0.00 0.00 72 P 0.00 4.80 0.00 2.18 2.09 0.00 3.64 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 1.95 1.91 0.00 73 V 8.54 3.58 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 0.87 0.00 0.00 0.90 0.00 0.00 74 S 7.96 4.26 0.00 3.92 3.94 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 0.00 0.00 0.00 0.00 75 V 7.58 3.91 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 0.28 0.00 0.00 0.76 0.00 0.00 76 I 7.37 4.30 1.86 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 1.48 0.60 0.31 0.00 0.00 77 G 8.95 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 78 E 8.86 4.40 0.00 1.92 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 2.42 2.27 0.00 79 E 8.85 4.10 0.00 2.03 1.84 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 2.12 1.91 0.00 80 V 8.36 4.22 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 0.65 0.00 0.00 0.80 0.00 0.00 81 A 7.14 4.44 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.57 4.84 0.00 2.62 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 83 L 9.06 4.57 0.00 1.79 1.52 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.67 3.88 0.00 3.91 3.94 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 0.00 0.00 0.00 0.00 85 H 8.07 4.31 0.00 3.23 3.40 0.00 5.51 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 86 R 7.66 4.35 0.00 1.79 1.86 0.00 3.31 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.68 0.00 87 E 7.47 3.02 0.00 1.49 1.71 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 2.22 2.16 0.00 88 N 7.95 4.30 0.00 2.73 2.83 0.00 0.00 7.10 8.08 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 89 D 7.94 4.39 0.00 2.77 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 90 I 7.78 3.77 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.05 1.16 0.00 0.00 91 K 8.43 4.07 0.00 2.01 2.04 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.60 7.81 92 N 8.33 4.38 0.00 3.03 2.86 0.00 0.00 6.94 6.90 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 93 A 7.85 4.14 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 94 I 7.62 3.54 2.09 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 1.55 1.18 1.16 0.00 0.00 95 N 8.41 4.57 0.00 2.93 3.07 0.00 0.00 6.71 6.34 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 96 L 7.98 3.92 0.00 1.85 1.78 0.90 0.54 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 97 M 7.53 3.72 0.00 1.49 1.68 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.82 0.00 98 F 7.14 4.02 0.00 1.78 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 99 W 7.70 5.15 0.00 3.52 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 0.00 100 G 8.13 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 0.00 0.00 0.00 0.00 101 I 7.29 3.89 1.93 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 1.20 0.64 1.05 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.