NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.2780 8.3349 115.2571 58.3826 63.4673 172.4106 0 H 4.8677 8.2321 121.3700 53.9932 32.5852 171.9490 1 M 4.2162 8.9728 121.0288 56.0788 33.4177 176.2150 2 A 4.7489 7.8365 120.3334 50.0484 21.9230 175.5519 3 G 4.0651 8.2532 109.0438 43.9883 0.0000 173.6829 4 T 4.2999 7.9799 109.6099 60.9362 70.0439 173.8914 5 L 4.8255 7.9112 123.4260 53.5737 45.4723 174.9574 6 K 4.5157 8.1410 123.5798 55.0044 35.8486 174.7207 7 H 5.0566 8.9265 124.7225 55.1513 28.8047 175.3130 8 V 4.2960 8.5325 117.7690 60.6431 32.9400 175.7551 9 T 4.7636 8.5179 112.1687 59.0744 71.8408 174.5923 10 D 4.4483 8.8115 122.4925 57.1010 40.6856 178.5733 11 D 4.5071 8.1233 117.0630 56.4375 41.6155 177.2139 12 S 4.6051 7.9325 112.8005 58.4860 63.5627 175.8030 13 F 3.9402 7.9693 125.8450 61.3229 39.1559 176.3285 14 E 3.9489 8.2833 118.4323 59.5718 29.3253 178.7794 15 Q 3.9552 7.8790 115.9646 59.1004 28.9881 177.9510 16 D 4.3849 8.1508 119.1087 56.2165 41.0155 177.4444 17 V 3.8099 7.4658 116.4355 64.4547 32.6936 177.8119 18 L 4.0157 7.5612 116.1440 56.8106 41.7841 177.9411 19 K 4.4392 7.6031 115.9622 55.8204 32.2888 176.0218 20 N 4.5016 7.5527 118.1549 53.3971 39.5222 174.9344 21 D 4.4594 8.6574 124.6958 57.4992 41.2236 177.5534 22 K 4.2565 7.6846 116.4971 55.2351 33.0098 175.0821 23 P 4.5617 0.0000 0.0000 63.2901 32.7055 175.4037 24 V 4.6885 8.3858 122.8544 60.9625 34.4744 173.9708 25 L 4.7525 9.0597 131.2802 54.2361 43.3412 175.2439 26 V 4.4687 8.9804 128.1557 61.4789 33.4020 174.1256 27 D 5.0892 8.9474 129.3247 53.1280 42.4449 175.3488 28 F 5.2196 9.7172 127.7167 56.6409 40.0770 175.2226 29 W 5.7031 9.0885 120.4391 55.2778 32.5472 173.3941 30 A 3.7797 7.9269 118.9226 50.3312 21.3587 177.2947 31 A 4.2955 7.8611 122.0287 54.0996 18.8853 178.8423 32 W 4.4695 7.2199 110.7241 57.1448 29.1086 176.1993 33 C 4.6187 7.4517 120.8159 58.0785 31.5784 173.7910 34 G 3.6907 8.7062 116.1122 47.5969 0.0000 172.6153 35 P 4.3122 0.0000 0.0000 65.3315 31.1014 178.4706 36 C 4.1936 8.0025 114.4277 62.9275 28.5688 175.7479 37 R 4.0583 7.9444 119.3498 59.3917 29.4188 178.9770 38 Q 4.0400 8.0246 117.0281 58.9098 29.1159 178.5935 39 I 4.0218 7.5793 112.0189 62.1073 38.0197 177.7572 40 A 3.8742 7.6464 123.3180 54.9136 18.1996 177.8063 41 P 4.2151 0.0000 0.0000 65.5999 31.3041 179.0628 42 S 4.1236 7.9754 113.6864 61.6069 62.7734 176.5182 43 L 3.9719 8.0177 121.6944 57.6043 41.3994 179.0413 44 E 3.8410 8.2102 119.0883 59.3145 29.5141 178.8945 45 A 3.9830 8.0124 120.6448 55.1655 18.4694 179.5898 46 I 3.8334 8.1696 118.5370 64.7094 37.0044 178.6102 47 A 4.0510 8.1245 120.2476 54.8200 18.1923 179.3866 48 A 4.0650 7.6382 118.3238 55.4722 18.6221 179.4611 49 E 3.9207 8.1238 115.8881 58.5857 29.6077 177.7262 50 Y 4.7905 7.9407 115.9433 57.5701 38.8466 177.9779 51 G 3.6859 8.3090 111.0717 47.5536 0.0000 175.5440 52 D 4.5087 8.1823 118.5870 55.2585 39.7188 177.0835 53 K 4.4682 8.1667 118.5425 57.0918 33.5924 176.1332 54 I 4.8958 7.3915 116.7233 59.3959 42.0043 173.5242 55 E 4.8123 8.9731 126.6132 54.6502 32.5361 174.8369 56 I 4.8826 8.1676 123.6441 59.8737 39.7206 175.0854 57 V 4.7465 8.7288 118.7271 59.5689 36.5444 174.3594 58 K 4.9234 8.7406 121.1208 54.5587 35.5548 175.3469 59 L 4.8229 8.9674 126.4650 53.0680 44.4215 174.7019 60 N 4.3306 8.7211 126.7549 53.1092 39.5993 175.6653 61 I 4.0164 8.5910 121.0016 63.8428 38.4852 178.3480 62 D 4.4116 8.2154 122.2114 57.1373 40.8693 177.2022 63 E 4.2481 8.3841 117.3765 57.7096 30.1593 177.0664 64 N 5.0354 8.2348 116.5508 49.7971 42.7596 173.5058 65 P 5.0487 0.0000 0.0000 65.1127 31.3051 177.7939 66 G 3.7694 8.2135 107.0021 47.5880 0.0000 175.5410 67 T 3.8236 8.3992 116.6988 65.3751 68.8309 176.6296 68 A 4.2267 7.8204 121.2907 55.5833 18.4809 179.6725 69 A 3.9034 7.9480 118.8381 54.8982 18.1876 179.4758 70 K 3.6411 8.0619 117.9079 59.5351 32.1517 177.6097 71 Y 4.5433 7.4781 113.2095 56.7221 38.1661 175.6310 72 G 3.7776 7.7718 107.2962 46.4812 0.0000 174.7894 73 V 3.7738 7.8939 120.9123 62.2290 30.8624 175.1475 74 M 4.8449 8.5054 124.8586 54.7476 33.5572 175.7221 75 S 4.7761 7.9137 114.4497 56.6019 66.7757 173.2757 76 I 4.8308 8.1050 116.9473 57.9660 40.5644 173.2774 77 P 4.8137 0.0000 0.0000 63.3343 32.9725 174.9541 78 T 4.9810 8.6876 117.8262 61.9183 71.8247 172.8995 79 L 5.2338 9.2095 127.5273 53.5213 43.4837 175.0857 80 N 5.2123 9.1108 122.5858 51.5602 41.0190 174.3546 81 V 4.5835 8.5254 124.2610 61.5665 33.5683 173.8543 82 Y 5.0036 9.0240 126.3256 56.5106 40.2888 174.5465 83 Q 4.5622 8.5613 124.6850 54.7985 32.6588 175.3831 84 G 3.7685 9.7632 113.6558 46.6778 0.0000 174.3181 85 G 4.0651 9.0207 105.5525 45.1045 0.0000 173.5869 86 E 4.9333 8.1152 117.8811 53.8636 33.5756 175.1161 87 V 3.4682 8.3827 120.6891 63.0923 31.8388 175.5153 88 A 4.6468 8.6612 129.2194 52.8818 20.6738 176.8514 89 K 4.6210 7.5622 115.1802 55.5748 35.9341 174.5649 90 T 5.0073 8.4735 120.5382 60.3485 70.5407 172.6563 91 I 4.3839 8.9989 129.8190 59.6923 39.7250 174.8237 92 V 4.3908 8.5104 128.3233 64.2204 32.3727 175.8307 93 G 4.0196 9.0447 115.7345 44.7595 0.0000 172.4931 94 A 4.1794 8.2413 123.7778 51.9672 19.0469 177.3611 95 K 4.7174 8.1478 119.9786 52.9313 36.5683 175.2531 96 P 4.4260 0.0000 0.0000 62.1751 33.2118 177.4114 97 K 3.7849 8.7381 120.6940 60.1651 32.0247 178.9529 98 A 4.0135 8.0547 119.7414 54.9315 18.2313 179.2975 99 A 4.0058 7.9347 119.1692 55.1854 18.5958 179.7514 100 I 3.6445 7.8048 118.4892 64.5241 36.9646 178.8147 101 V 3.5284 7.7440 118.0216 65.9198 31.6853 177.9775 102 R 4.0449 8.0446 117.7923 59.4952 29.7558 178.8155 103 D 4.4821 8.1303 117.1984 56.7151 41.0367 177.8412 104 L 4.7269 7.6676 118.0083 54.6292 41.8160 177.7116 105 E 3.8568 7.9092 122.2447 59.7226 29.2684 178.6837 106 D 4.2149 7.8157 116.6623 56.3861 40.8723 177.5987 107 F 4.6162 7.7200 117.3942 57.8319 39.8233 176.4072 108 I 4.4041 7.4520 107.9344 60.2901 38.4829 176.2005 109 A 4.0575 8.2355 127.4506 55.8136 18.5210 178.0900 *110 D 4.6111 8.2051 117.9661 53.8788 39.7135 178.6969 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 S 8.33 4.28 0.00 3.78 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 0 H 8.23 4.87 0.00 3.32 3.11 0.00 5.74 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 1 M 8.97 4.22 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 2 A 7.84 4.75 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 3 G 8.25 4.07 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 0.00 4 T 7.98 4.30 4.20 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 1.17 0.00 0.00 5 L 7.91 4.83 0.00 1.51 1.43 0.75 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.14 4.52 0.00 1.83 1.49 0.00 1.92 0.00 0.00 1.61 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.37 7.81 7 H 8.93 5.06 0.00 3.10 3.35 0.00 5.94 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.53 4.30 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 0.62 0.00 0.00 1.04 0.00 0.00 9 T 8.52 4.76 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 1.25 0.00 0.00 10 D 8.81 4.45 0.00 2.67 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 11 D 8.12 4.51 0.00 2.67 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 12 S 7.93 4.61 0.00 4.19 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 0.00 13 F 7.97 3.94 0.00 3.23 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 14 E 8.28 3.95 0.00 2.15 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 0.00 2.40 2.46 0.00 15 Q 7.88 3.96 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 16 D 8.15 4.38 0.00 2.51 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 17 V 7.47 3.81 0.82 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 -0.05 0.00 0.00 -0.11 0.00 0.00 18 L 7.56 4.02 0.00 1.82 1.77 1.14 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.60 4.44 0.00 1.73 1.79 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.47 7.81 20 N 7.55 4.50 0.00 2.75 2.79 0.00 0.00 7.11 9.28 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 21 D 8.66 4.46 0.00 2.70 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 22 K 7.68 4.26 0.00 1.73 1.74 0.00 1.77 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.46 7.81 23 P 0.00 4.56 0.00 1.94 1.84 0.00 3.75 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 2.32 2.47 0.00 24 V 8.39 4.69 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 0.82 0.00 0.00 0.87 0.00 0.00 25 L 9.06 4.75 0.00 1.62 1.48 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.98 4.47 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.75 0.00 0.00 27 D 8.95 5.09 0.00 2.81 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 28 F 9.72 5.22 0.00 3.17 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 29 W 9.09 5.70 0.00 3.39 3.27 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 30 A 7.93 3.78 0.03 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 31 A 7.86 4.30 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 32 W 7.22 4.47 0.00 3.56 3.24 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 33 C 7.45 4.62 0.00 2.23 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 34 G 8.71 3.69 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 0.00 0.00 0.00 35 P 0.00 4.31 0.00 2.20 2.14 0.00 3.66 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 2.21 0.00 36 C 8.00 4.19 0.00 3.20 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 37 R 7.94 4.06 0.00 2.08 2.00 0.00 3.19 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.96 0.00 38 Q 8.02 4.04 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.93 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 39 I 7.58 4.02 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 1.53 0.79 0.97 0.00 0.00 40 A 7.65 3.87 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 41 P 0.00 4.22 0.00 2.15 2.09 0.00 3.71 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 2.09 2.14 0.00 42 S 7.98 4.12 0.00 4.01 3.91 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 0.00 0.00 0.00 43 L 8.02 3.97 0.00 1.74 1.66 0.85 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.21 3.84 0.00 1.99 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 2.28 2.30 0.00 45 A 8.01 3.98 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 0.00 0.00 46 I 8.17 3.83 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.90 1.02 0.00 0.00 47 A 8.12 4.05 1.31 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 48 A 7.64 4.07 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 49 E 8.12 3.92 0.00 1.68 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 2.13 2.26 0.00 50 Y 7.94 4.79 0.00 3.10 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 51 G 8.31 3.69 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 0.00 0.00 0.00 52 D 8.18 4.51 0.00 2.82 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 53 K 8.17 4.47 0.00 1.97 2.12 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.61 7.81 54 I 7.39 4.90 1.90 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.51 1.01 0.00 0.00 55 E 8.97 4.81 0.00 1.88 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 2.19 2.23 0.00 56 I 8.17 4.88 1.82 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 1.32 0.78 0.82 0.00 0.00 57 V 8.73 4.75 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 0.62 0.00 0.00 0.75 0.00 0.00 58 K 8.74 4.92 0.00 1.53 1.66 0.00 1.16 0.00 0.00 0.61 0.00 0.00 2.57 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.17 1.09 7.81 59 L 8.97 4.82 0.00 1.35 0.93 0.94 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 60 N 8.72 4.33 0.00 2.60 2.63 0.00 0.00 6.89 7.96 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 61 I 8.59 4.02 1.95 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 1.28 0.48 1.09 0.00 0.00 62 D 8.22 4.41 0.00 2.79 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 63 E 8.38 4.25 0.00 1.90 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 2.29 2.29 0.00 64 N 8.23 5.04 0.00 2.75 3.05 0.00 0.00 6.60 7.49 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 65 P 0.00 5.05 0.00 2.27 2.37 0.00 3.84 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 2.08 1.90 0.00 66 G 8.21 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 67 T 8.40 3.82 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 0.60 0.00 0.00 68 A 7.82 4.23 1.54 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 0.00 0.00 69 A 7.95 3.90 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.06 3.64 0.00 1.54 1.82 0.00 1.60 0.00 0.00 1.46 0.00 0.00 2.70 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.30 1.05 7.81 71 Y 7.48 4.54 0.00 2.94 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 72 G 7.77 3.78 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 0.00 0.00 0.00 73 V 7.89 3.77 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 0.72 0.00 0.00 0.13 0.00 0.00 74 M 8.51 4.84 0.00 2.01 2.01 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 2.65 2.52 0.00 75 S 7.91 4.78 0.00 3.80 3.73 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 76 I 8.11 4.83 1.87 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.60 1.02 0.00 0.00 77 P 0.00 4.81 0.00 2.20 2.28 0.00 3.66 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.03 0.00 78 T 8.69 4.98 4.20 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 1.11 0.00 0.00 79 L 9.21 5.23 0.00 1.56 1.63 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 80 N 9.11 5.21 0.00 2.94 2.29 0.00 0.00 6.17 7.43 0.00 0.00 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 V 8.53 4.58 1.57 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 -0.18 0.00 0.00 0.64 0.00 0.00 82 Y 9.02 5.00 0.00 2.75 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 83 Q 8.56 4.56 0.00 2.21 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.14 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 84 G 9.76 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 85 G 9.02 4.07 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 0.00 86 E 8.12 4.93 0.00 2.09 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 2.31 0.00 87 V 8.38 3.47 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 0.60 0.00 0.00 0.36 0.00 0.00 88 A 8.66 4.65 1.41 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 89 K 7.56 4.62 0.00 2.17 1.68 0.00 1.62 0.00 0.00 1.86 0.00 0.00 3.10 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.60 1.56 7.81 90 T 8.47 5.01 4.20 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 1.19 0.00 0.00 91 I 9.00 4.38 1.88 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 1.13 0.50 0.92 0.00 0.00 92 V 8.51 4.39 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 0.78 0.00 0.00 0.91 0.00 0.00 93 G 9.04 4.02 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 0.00 0.00 0.00 94 A 8.24 4.18 1.27 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 95 K 8.15 4.72 0.00 1.70 1.66 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.63 7.81 96 P 0.00 4.43 0.00 2.16 1.98 0.00 3.63 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 2.12 2.15 0.00 97 K 8.74 3.78 0.00 1.83 1.85 0.00 1.74 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.57 7.81 98 A 8.05 4.01 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 99 A 7.93 4.01 1.35 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 0.00 0.00 100 I 7.80 3.64 2.01 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 1.41 0.95 0.91 0.00 0.00 101 V 7.74 3.53 2.23 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 0.76 0.00 0.00 1.07 0.00 0.00 102 R 8.04 4.04 0.00 2.09 1.95 0.00 3.18 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 103 D 8.13 4.48 0.00 2.83 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 0.00 104 L 7.67 4.73 0.00 1.75 1.74 0.87 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.91 3.86 0.00 2.23 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 2.25 2.32 0.00 106 D 7.82 4.21 0.00 1.88 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 0.00 0.00 0.00 0.00 107 F 7.72 4.62 0.00 3.03 3.11 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 0.00 108 I 7.45 4.40 1.56 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.18 0.86 0.00 0.00 109 A 8.24 4.06 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 *110 D 8.21 4.61 0.00 2.71 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.