NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4232 0.0000 0.0000 61.5482 33.8019 175.7456 3 R 4.4597 7.5367 116.9763 54.5571 33.1245 169.4403 4 V 4.6413 8.8647 118.2998 59.5549 36.7125 175.0897 5 V 3.9593 8.2367 115.9177 60.3793 32.0803 175.0572 6 P 4.3843 0.0000 0.0000 65.3571 31.4273 176.3430 7 D 4.8362 7.6562 118.2742 51.0970 40.5655 175.0456 8 Q 3.9207 7.9482 121.7088 58.9873 29.1098 178.1053 9 R 2.5100 7.7844 118.3052 59.5928 30.0056 178.6087 10 S 4.0243 7.9679 112.0013 61.0268 62.3467 175.9025 11 K 3.9405 7.8013 122.2708 59.4289 31.7620 178.6576 12 F 3.4068 7.7978 119.7757 60.7940 39.2398 176.3213 13 E 4.2749 7.9330 117.1091 57.7779 29.6911 177.3890 14 N 4.8009 8.0340 114.3648 52.3520 40.4208 174.9887 15 E 4.3978 8.0931 122.4952 54.9092 31.3302 176.0300 16 E 3.8618 8.9810 126.8117 59.7403 29.3107 178.6304 17 F 3.8980 9.3611 120.3227 61.3739 39.5326 176.6875 18 F 3.8553 7.9870 116.0434 59.2847 38.8802 178.3182 19 R 3.9883 7.6404 119.3418 58.7038 29.7646 179.1261 20 K 3.8373 7.8691 116.4366 58.3035 32.1976 178.1230 21 L 4.0789 6.9264 117.8990 54.2700 42.2971 178.2466 22 S 4.3017 8.0547 115.7453 59.6958 63.2462 173.8115 23 R 4.7602 7.1647 119.8945 53.7771 32.1319 176.1184 24 E 4.1985 8.7609 121.1089 57.5113 30.0524 176.2616 25 C 4.8198 9.1336 117.7616 56.4537 34.1731 173.0398 26 E 4.5920 8.8636 119.2806 56.7601 30.0240 176.4179 27 I 4.8913 8.6386 117.4055 59.1842 41.5966 174.3224 28 K 4.7172 8.5432 123.0013 54.9927 36.0691 174.3891 29 Y 4.7823 8.8722 129.5854 58.2711 39.5193 176.0526 30 T 4.4149 8.4284 115.6302 61.1137 69.8662 174.7749 31 G 3.4752 5.9940 110.5930 45.9586 0.0000 173.2143 32 F 3.6547 7.8795 118.3007 59.7156 36.3263 177.8482 33 R 3.5687 7.4096 118.2410 59.6178 30.7276 176.4591 34 D 4.6945 7.5821 125.7542 52.7975 39.7577 175.5064 35 R 4.4504 8.0819 117.5565 53.1402 34.1606 173.5509 36 P 4.2183 0.0000 0.0000 63.3305 33.0319 176.7470 37 H 4.0863 9.0433 120.9894 59.7642 29.6380 177.3273 38 E 4.8007 8.1257 120.9509 58.9998 29.2664 178.8335 39 E 3.9120 8.0899 118.8891 59.2665 29.7203 178.8329 40 R 3.9836 8.2290 118.2937 59.3590 29.9648 179.0244 41 Q 3.9439 8.2433 117.7274 58.7302 28.5708 178.7625 42 A 3.8948 7.6963 121.4119 55.2034 18.5095 179.4936 43 R 3.6720 7.9910 116.9223 59.5563 30.1703 178.7350 44 F 3.6759 8.2256 120.1456 61.5165 39.1298 177.2732 45 Q 3.6619 7.7770 117.2991 58.6730 28.3884 178.2851 46 N 4.2195 8.3312 117.5877 56.4089 38.6706 177.1940 47 A 4.0460 8.3269 122.3316 55.3597 18.4507 179.4365 48 C 4.0877 7.8158 114.9859 63.1998 28.0257 176.6615 49 R 4.2043 7.9075 118.1471 58.5986 29.5596 177.7940 50 D 4.9262 7.5469 116.8596 53.7295 41.3197 177.3034 51 G 3.7949 8.9068 108.3137 45.3737 0.0000 173.3439 52 R 5.2861 8.2481 114.7139 53.5991 33.0561 173.8262 53 S 4.7356 7.6113 112.3301 58.1325 66.2479 174.0600 54 E 5.0073 8.8122 121.1397 54.6286 32.5038 175.2653 55 I 5.1270 8.7411 124.9273 59.3833 41.7525 174.4978 56 A 5.2034 8.7645 126.9047 50.1788 22.7470 175.2038 57 F 4.7453 9.5947 120.2835 56.7910 39.6044 177.4612 58 V 3.5085 8.4536 118.0473 64.5719 31.4184 177.5582 59 A 4.0955 8.0416 120.8842 55.8138 18.2584 178.8568 60 T 3.9659 7.7786 104.7261 62.6472 69.3637 175.3981 61 G 3.7718 8.4221 110.0601 46.4182 0.0000 173.2794 62 T 4.4527 8.0274 117.2043 62.4031 69.5063 173.1721 63 N 5.3367 8.7977 125.7973 52.0255 40.6533 174.0280 64 L 4.8792 8.9327 125.1527 52.9968 46.3740 175.1620 65 S 4.8566 8.5853 117.0198 57.0116 63.6762 173.0582 66 L 4.5489 9.0751 127.3052 52.7736 44.8954 175.4747 67 Q 4.5014 8.2051 121.1956 54.1398 30.8222 176.3391 68 F 4.9076 8.3247 126.2867 55.0646 36.9935 175.2011 69 F 4.2136 7.5636 118.3442 54.9201 43.1848 173.0621 70 P 4.8379 0.0000 0.0000 65.0211 31.2440 176.8167 *80 T 4.1658 7.7081 113.2940 62.1867 68.7343 171.8447 81 P 4.4647 0.0000 0.0000 62.6249 31.8784 178.2025 82 S 4.4702 8.5010 115.0590 58.6896 65.0458 174.1266 83 R 4.4023 8.3962 120.7071 58.0312 30.1198 178.1100 84 E 3.9406 7.9524 118.2804 59.0138 29.8106 176.7742 85 Y 4.3075 7.9564 115.3958 58.8576 40.1302 175.0269 86 V 4.2321 7.8565 119.5085 60.8642 33.2466 173.1526 87 D 4.8606 9.4240 127.0843 52.6366 41.4456 176.0926 88 L 4.4561 8.4794 124.5263 54.8759 41.6460 177.6924 89 E 4.1730 8.2790 118.0939 56.8606 30.6076 179.5254 90 R 3.4642 8.9031 121.3434 58.3091 32.1377 176.5263 91 E 4.4411 7.9193 117.9323 53.9832 32.1215 174.0249 92 A 4.1143 8.6173 129.3681 54.1899 18.9447 177.3963 93 G 4.0760 10.5440 110.2420 44.9363 0.0000 172.8642 94 K 5.1997 7.5822 116.6102 55.6592 35.9871 175.7050 95 V 4.7648 8.5177 120.6625 60.4143 34.4321 174.0284 96 Y 4.9028 8.9189 121.3081 56.5586 39.9191 174.6419 97 L 5.7692 9.2013 124.5875 52.0363 45.1154 175.5152 98 K 5.3765 8.7115 122.1418 54.9349 36.1713 175.0262 99 A 4.8784 9.4051 128.5020 50.8218 22.3054 173.7420 100 P 5.1923 0.0000 0.0000 63.1797 32.7272 175.5298 101 M 4.4605 8.5488 118.8419 55.3825 35.2193 173.6938 102 I 4.6636 8.5411 120.0864 59.6515 38.3840 175.1360 103 L 4.5818 8.7823 128.6184 54.4656 43.3438 176.2736 104 N 4.3152 10.0587 125.6275 54.5017 36.0617 175.1228 105 G 4.0853 8.2796 104.7478 45.3664 0.0000 172.5627 106 V 4.8565 7.9327 119.4568 59.4324 34.1878 174.7120 107 C 4.7572 10.1332 123.1965 60.3305 29.0578 173.3310 108 V 4.9967 9.0553 116.1333 59.9187 36.8738 174.2159 109 I 5.1722 9.1530 121.5782 59.6061 41.2252 174.4955 110 W 5.3014 9.7630 135.0000 56.0000 32.3354 174.9048 111 K 5.1639 8.3778 126.5275 54.5896 35.7419 175.7562 112 G 3.7372 7.9342 109.7043 45.7581 0.0000 171.6299 113 W 5.5435 7.9351 116.1979 54.7427 32.1691 174.4660 114 I 4.7615 8.5727 120.8792 59.3727 41.0333 174.1902 115 D 4.8526 9.6604 127.2926 54.1986 41.4304 177.1065 116 L 3.6998 8.9615 127.3270 57.0764 41.9481 178.1596 117 Q 4.3233 8.4775 119.5817 58.2312 29.5816 177.1383 118 R 4.0238 8.1701 115.4067 57.2388 30.6115 177.3049 119 L 3.4486 9.2599 117.7512 55.0763 39.5334 173.3210 120 D 4.9889 7.4658 117.1310 51.5858 43.5182 173.9164 121 G 3.2045 7.4304 105.5737 45.9889 0.0000 171.6409 122 M 4.7624 5.8600 120.3466 53.5339 35.7367 175.2652 123 G 3.9026 8.6897 108.7968 46.0719 0.0000 171.1251 124 C 5.3130 8.5369 114.2692 57.8130 33.2741 172.7418 125 L 5.3066 8.6906 119.4168 53.7556 43.3724 176.5627 126 E 4.8533 9.1734 120.3027 54.4305 33.9210 174.7730 127 F 3.9640 8.2608 126.9933 58.3715 40.1746 174.8588 128 D 4.3564 8.0858 127.1462 52.5111 40.0826 176.2394 129 E 3.4262 8.0651 123.5105 58.8725 29.7027 177.9370 130 E 3.8516 7.9745 118.2531 59.7150 28.1870 179.0985 131 R 4.2375 8.2703 118.3231 58.4451 29.8493 178.9458 132 A 4.2922 7.8839 120.4227 54.6012 18.3870 178.9344 133 Q 4.2367 7.8272 115.1022 57.5825 29.1998 177.3799 134 Q 4.2608 7.7150 117.8379 56.6878 28.7911 175.8171 135 E 4.1755 7.4728 124.3271 56.5582 29.5917 176.3662 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 P 0.00 4.42 0.00 2.07 2.12 0.00 3.64 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 1.93 2.08 0.00 3 R 7.54 4.46 0.00 1.78 1.77 0.00 3.25 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.80 0.00 4 V 8.86 4.64 2.25 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 0.87 0.00 0.00 0.97 0.00 0.00 5 V 8.24 3.96 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 0.73 0.00 0.00 1.07 0.00 0.00 6 P 0.00 4.38 0.00 2.18 2.20 0.00 3.72 0.00 0.00 3.60 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 7 D 7.66 4.84 0.00 2.73 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 8 Q 7.95 3.92 0.00 2.36 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.56 0.00 0.00 0.00 0.00 0.00 2.75 2.67 0.00 9 R 7.78 2.51 0.00 0.78 1.67 0.00 3.13 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.41 0.00 10 S 7.97 4.02 0.00 3.92 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 11 K 7.80 3.94 0.00 1.83 1.84 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.26 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.53 7.81 12 F 7.80 3.41 0.00 2.64 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 13 E 7.93 4.27 0.00 1.96 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 2.37 2.46 0.00 14 N 8.03 4.80 0.00 2.74 2.85 0.00 0.00 6.91 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 15 E 8.09 4.40 0.00 2.20 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 2.36 2.61 0.00 16 E 8.98 3.86 0.00 2.07 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 2.36 2.37 0.00 17 F 9.36 3.90 0.00 2.94 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 18 F 7.99 3.86 0.00 2.81 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 0.00 0.00 0.00 0.00 19 R 7.64 3.99 0.00 1.78 1.89 0.00 3.19 0.00 0.00 3.23 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 20 K 7.87 3.84 0.00 1.45 1.72 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.63 7.81 21 L 6.93 4.08 0.00 1.17 1.05 0.29 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.05 4.30 0.00 4.09 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 23 R 7.16 4.76 0.00 1.67 1.87 0.00 3.23 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 24 E 8.76 4.20 0.00 1.88 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 2.34 2.39 0.00 25 C 9.13 4.82 0.00 2.97 2.98 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 26 E 8.86 4.59 0.00 1.94 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 2.35 2.30 0.00 27 I 8.64 4.89 1.82 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.10 0.54 0.00 0.00 28 K 8.54 4.72 0.00 1.78 1.59 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.36 7.81 29 Y 8.87 4.78 0.00 2.64 2.75 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 30 T 8.43 4.41 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 1.22 0.00 0.00 31 G 5.99 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 0.00 0.00 0.00 32 F 7.88 3.65 0.00 3.23 3.20 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 33 R 7.41 3.57 0.00 1.69 1.86 0.00 3.18 0.00 0.00 3.21 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 34 D 7.58 4.69 0.00 2.70 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 35 R 8.08 4.45 0.00 2.14 1.85 0.00 3.73 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 36 P 0.00 4.22 0.00 2.17 2.04 0.00 3.80 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 2.14 2.20 0.00 37 H 9.04 4.09 0.00 3.27 3.36 0.00 5.87 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 38 E 8.13 4.80 0.00 2.10 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 2.42 2.31 0.00 39 E 8.09 3.91 0.00 2.01 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 0.00 2.25 2.34 0.00 40 R 8.23 3.98 0.00 2.10 2.19 0.00 3.53 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.11 0.00 41 Q 8.24 3.94 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 42 A 7.70 3.89 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 43 R 7.99 3.67 0.00 1.82 1.59 0.00 2.21 0.00 0.00 2.64 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.82 0.00 44 F 8.23 3.68 0.00 2.18 2.94 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 45 Q 7.78 3.66 0.00 2.26 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 46 N 8.33 4.22 0.00 2.82 2.84 0.00 0.00 6.89 8.21 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 47 A 8.33 4.05 1.47 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 0.00 0.00 0.00 48 C 7.82 4.09 0.00 2.76 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 49 R 7.91 4.20 0.00 1.76 1.97 0.00 3.11 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 50 D 7.55 4.93 0.00 2.73 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 51 G 8.91 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 0.00 0.00 0.00 52 R 8.25 5.29 0.00 1.70 1.85 0.00 3.13 0.00 0.00 3.05 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.44 0.00 53 S 7.61 4.74 0.00 4.17 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 54 E 8.81 5.01 0.00 1.93 1.73 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 2.22 2.28 0.00 55 I 8.74 5.13 1.50 0.00 0.00 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 1.34 0.78 1.06 0.00 0.00 56 A 8.76 5.20 1.22 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 57 F 9.59 4.75 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 58 V 8.45 3.51 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 0.97 0.00 0.00 59 A 8.04 4.10 1.28 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 0.00 0.00 60 T 7.78 3.97 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 1.10 0.00 0.00 61 G 8.42 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 0.00 0.00 0.00 62 T 8.03 4.45 4.54 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 1.42 0.00 0.00 63 N 8.80 5.34 0.00 2.72 2.71 0.00 0.00 7.01 7.78 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 64 L 8.93 4.88 0.00 1.38 1.39 1.28 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.59 4.86 0.00 3.81 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 66 L 9.08 4.55 0.00 0.81 0.81 -0.56 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.21 4.50 0.00 1.88 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 7.43 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 68 F 8.32 4.91 0.00 2.54 2.89 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 69 F 7.56 4.21 0.00 2.85 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 70 P 0.00 4.84 0.00 2.05 2.25 0.00 3.73 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.19 0.00 *80 T 7.71 4.17 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 1.25 0.00 0.00 81 P 0.00 4.46 0.00 2.02 1.42 0.00 3.98 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 82 S 8.50 4.47 0.00 4.16 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 83 R 8.40 4.40 0.00 1.81 1.99 0.00 3.36 0.00 0.00 3.96 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 84 E 7.95 3.94 0.00 1.98 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 1.81 2.17 0.00 85 Y 7.96 4.31 0.00 3.01 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 86 V 7.86 4.23 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 0.78 0.00 0.00 0.81 0.00 0.00 87 D 9.42 4.86 0.00 2.86 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 88 L 8.48 4.46 0.00 1.66 1.68 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.28 4.17 0.00 2.11 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 2.25 2.28 0.00 90 R 8.90 3.46 0.00 1.78 1.92 0.00 2.64 0.00 0.00 2.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.32 0.00 91 E 7.92 4.44 0.00 2.04 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 2.23 2.24 0.00 92 A 8.62 4.11 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 93 G 10.54 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 94 K 7.58 5.20 0.00 1.97 1.81 0.00 0.94 0.00 0.00 1.37 0.00 0.00 2.87 0.00 0.00 2.16 0.00 0.00 0.00 0.00 1.38 1.28 7.81 95 V 8.52 4.76 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 0.87 0.00 0.00 0.88 0.00 0.00 96 Y 8.92 4.90 0.00 3.00 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 97 L 9.20 5.77 0.00 1.95 1.34 1.00 -0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.71 5.38 0.00 1.82 1.64 0.00 1.45 0.00 0.00 0.92 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.49 7.81 99 A 9.41 4.88 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 0.00 100 P 0.00 5.19 0.00 2.04 2.09 0.00 3.89 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 101 M 8.55 4.46 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.62 0.00 102 I 8.54 4.66 1.94 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 1.35 0.70 1.05 0.00 0.00 103 L 8.78 4.58 0.00 2.04 2.01 1.12 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 104 N 10.06 4.32 0.00 3.13 2.89 0.00 0.00 7.23 7.65 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 0.00 105 G 8.28 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 7.93 4.86 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 0.73 0.00 0.00 1.04 0.00 0.00 107 C 10.13 4.76 0.00 2.72 2.81 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 0.00 108 V 9.06 5.00 2.48 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 1.25 0.00 0.00 1.25 0.00 0.00 109 I 9.15 5.17 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 1.21 0.81 1.08 0.00 0.00 110 W 9.76 5.30 0.00 3.56 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 0.00 111 K 8.38 5.16 0.00 1.67 1.64 0.00 2.08 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.46 7.81 112 G 7.93 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 0.00 113 W 7.94 5.54 0.00 2.70 1.74 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 0.00 114 I 8.57 4.76 2.02 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.19 0.52 0.00 0.00 115 D 9.66 4.85 0.00 3.02 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 0.00 116 L 8.96 3.70 0.00 1.80 1.79 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 8.48 4.32 0.00 2.03 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.02 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 118 R 8.17 4.02 0.00 1.93 2.09 0.00 3.41 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 119 L 9.26 3.45 0.00 1.77 1.71 0.96 0.43 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 0.00 120 D 7.47 4.99 0.00 2.82 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 0.00 121 G 7.43 3.20 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 0.00 122 M 5.86 4.76 0.00 2.00 1.89 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 2.84 2.57 0.00 123 G 8.69 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 0.00 124 C 8.54 5.31 0.00 3.07 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 0.00 125 L 8.69 5.31 0.00 1.79 2.07 1.42 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 126 E 9.17 4.85 0.00 2.10 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 2.28 2.31 0.00 127 F 8.26 3.96 0.00 1.51 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.09 4.36 0.00 2.66 2.32 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 0.00 129 E 8.07 3.43 0.00 1.91 1.92 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 2.61 2.47 0.00 130 E 7.97 3.85 0.00 1.98 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 2.36 2.39 0.00 131 R 8.27 4.24 0.00 1.82 1.94 0.00 3.26 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 132 A 7.88 4.29 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 0.00 133 Q 7.83 4.24 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 134 Q 7.71 4.26 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.99 0.00 0.00 0.00 0.00 0.00 2.35 2.65 0.00 135 E 7.47 4.18 0.00 2.18 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 2.57 2.41 0.00 * Residues marked with a * may have inaccurate shift predictions.