NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 H 4.7039 8.2876 117.8497 55.9863 31.2584 175.1342 0 H 4.0758 8.0946 115.0577 58.2123 28.3320 175.3044 1 M 4.3794 7.8559 117.7299 56.4994 32.9178 177.9997 2 E 3.8356 8.0253 120.0644 58.1963 29.8884 176.8409 3 Y 4.4500 7.9739 114.7443 57.8301 40.0967 175.7802 4 W 5.2279 8.2884 118.1757 55.4536 31.1420 175.5833 5 H 5.2436 9.0991 118.5831 53.4701 31.4476 172.6348 6 Y 4.5325 8.9072 121.0770 58.2372 39.3964 175.3329 7 V 4.2214 7.4484 126.0937 60.6935 33.7643 174.6915 8 E 4.0579 8.5912 129.6651 56.1059 30.4905 175.1621 9 T 5.0987 8.6529 116.9058 60.6922 69.9298 172.0920 10 T 4.7679 8.0157 110.4081 59.2731 72.0801 175.1332 11 S 4.1118 8.6488 115.6608 61.2049 62.8713 175.2816 12 S 4.3179 7.9887 112.9354 58.3295 63.1826 174.1473 13 G 3.6897 8.1583 109.1113 46.4675 0.0000 173.4209 14 Q 4.3870 7.6363 119.7438 52.9688 29.5684 173.7989 15 P 4.6961 0.0000 0.0000 62.6446 32.5376 176.2508 16 L 4.3586 8.8697 123.1957 54.4877 41.7090 176.7345 17 L 4.7118 8.4727 124.0118 53.6022 43.7142 176.9505 18 R 4.2542 9.5107 120.5989 54.7354 31.1892 175.5211 19 E 3.9896 8.6513 118.5593 58.2247 29.1207 177.8578 20 G 3.8543 8.8665 111.3496 45.5783 0.0000 171.6987 21 E 4.3046 8.1828 121.0189 54.8932 30.4478 175.4970 22 K 4.7089 8.5161 125.7025 54.1264 35.2560 175.1542 23 D 4.6521 8.9441 124.2177 55.4164 41.1422 174.9304 24 I 4.4601 8.8758 126.6299 62.6961 39.0348 175.8190 25 F 4.9156 7.9524 121.6148 57.2286 42.7729 172.5778 26 I 5.5332 7.3959 123.2768 59.8354 41.0453 173.9114 27 D 5.0516 9.5907 124.5069 52.8027 45.2820 173.9024 28 Q 4.7754 8.6041 119.6538 53.8378 32.2125 175.4919 29 S 3.6390 8.1141 114.3197 59.9521 60.5546 172.0331 30 V 4.7188 8.1828 120.2982 61.2183 34.2469 175.5928 31 G 4.4824 8.8924 113.7006 44.4795 0.0000 171.8408 32 L 5.2448 8.1136 120.7982 52.9413 44.4862 175.2877 33 Y 4.9332 9.1009 120.0515 56.3623 41.9036 174.1862 34 H 4.8497 9.0135 122.7731 54.0904 31.9975 173.7098 35 G 2.3063 8.1953 117.4330 46.5837 0.0000 175.3035 36 K 4.2611 8.5307 122.6483 57.2921 32.5809 176.6326 37 S 4.8603 7.6270 115.5678 56.1752 64.7541 173.9078 38 K 3.3087 8.0194 123.1063 56.0710 32.6171 176.9837 39 I 3.8219 8.0875 124.7061 60.3941 37.1947 176.9571 40 L 3.7969 8.5025 126.3389 57.9143 41.5535 178.3626 41 Q 4.4264 7.7891 113.9325 55.7969 29.3444 176.2305 42 R 4.6414 7.4942 115.2421 54.5975 30.3725 176.0695 43 Q 4.4493 7.8395 114.0412 55.9162 31.0112 177.8379 44 R 4.4981 7.9856 120.5297 55.5591 32.5696 173.5355 45 G 4.0601 9.0040 113.0754 44.9983 0.0000 170.2900 46 R 4.7851 8.3246 118.8862 55.2698 31.9575 175.7511 47 I 4.9685 8.8457 123.1974 59.2015 40.8336 173.8914 48 F 5.8361 9.4032 131.0838 56.6096 42.3912 173.0382 49 L 5.0612 9.7472 129.6894 54.0822 43.7740 175.6336 50 T 4.8683 8.4944 116.8331 59.3686 71.7281 175.0881 51 S 4.2393 8.6533 115.9293 60.7138 62.7057 175.2328 52 Q 4.6267 7.9467 117.6491 56.2300 31.9250 175.4885 53 R 5.1661 8.2561 116.0730 54.7613 35.5010 174.0214 54 I 5.0178 8.5912 121.4950 59.9604 39.6982 174.9812 55 I 5.1592 9.2041 127.5020 59.7798 40.3004 173.7116 56 Y 4.9451 9.5687 129.3207 56.4406 40.4660 174.1198 57 I 4.3682 8.1505 128.7944 59.2902 38.9659 174.7906 58 D 4.2942 8.2032 128.0978 54.3957 41.1499 176.0680 59 D 4.3863 9.0747 126.0901 57.7915 41.2130 178.9113 60 A 3.9916 8.1097 119.5068 54.5854 19.2129 177.9522 61 K 4.6759 8.6219 114.5814 53.8684 32.5160 175.2562 62 P 4.1945 0.0000 0.0000 65.7406 31.7623 178.6253 63 T 4.2206 7.8554 106.6131 62.7388 69.5235 174.7023 64 Q 4.5952 8.2208 119.5565 57.6244 30.4096 175.9731 65 N 4.9910 8.3147 111.5659 53.1268 39.5424 175.4272 66 S 4.7938 7.9277 116.1655 58.4493 64.5697 173.1624 67 L 5.3739 9.1604 122.0846 53.2357 46.4652 175.5708 68 G 4.6234 9.5283 107.9597 44.4533 0.0000 171.3586 69 L 4.9229 8.7579 123.4208 52.6213 45.4659 175.6328 70 E 4.5239 8.7860 125.9571 55.9992 30.2801 177.9117 71 L 3.9584 8.8388 124.6990 57.7889 41.8573 178.8120 72 D 4.4667 8.0851 116.3391 56.2485 41.3550 175.9711 73 D 4.7962 8.2970 117.8848 54.6201 41.3854 175.8052 74 L 5.1458 7.6969 119.2046 53.1464 43.9597 175.6665 75 A 4.4640 8.9467 121.6886 53.2950 21.3054 176.0268 76 Y 4.9348 7.8307 110.1933 56.7919 42.9993 174.4847 77 V 5.1200 8.5015 119.5608 61.5728 35.3107 174.0656 78 N 5.1117 9.3077 124.7151 52.2962 42.5223 172.2801 79 Y 4.9230 8.8661 127.5812 56.8997 40.2127 174.0942 80 S 4.7082 8.4923 121.8146 56.3862 64.8026 174.5374 81 S 4.2066 8.8203 120.7208 58.9124 63.4025 174.3792 82 G 4.2748 8.0121 108.8614 47.1891 0.0000 175.0046 83 F 4.0142 8.4662 123.1609 60.3610 39.5457 175.7899 84 L 4.5546 8.0097 117.2022 54.7307 43.0367 176.2939 85 T 4.6065 7.4262 108.9586 59.5014 70.8327 175.7163 86 R 3.9290 8.6760 122.3833 58.9561 30.3357 177.1327 87 S 4.9498 7.5441 110.7214 55.6217 66.7292 172.7157 88 P 4.5520 0.0000 0.0000 63.0054 32.7322 175.5021 89 R 5.2316 8.6351 120.3872 54.4096 34.3615 174.0716 90 L 5.1588 9.1940 125.5534 53.7269 44.1729 174.8885 91 I 4.7065 8.9819 128.0231 59.7820 39.2767 174.6373 92 L 4.9741 8.6234 126.9331 52.8393 44.6911 175.2628 93 F 4.7949 8.8727 122.6270 55.6269 41.0360 175.6437 94 F 4.9981 8.5274 122.2550 57.3106 39.2498 175.8594 95 K 4.1586 9.1435 121.7666 58.6772 32.3235 177.4202 96 D 4.9014 7.7394 117.0143 51.8489 41.0090 172.7386 97 P 4.7829 0.0000 0.0000 62.4306 32.8070 177.9504 98 S 4.3619 9.1402 117.8709 61.0775 63.2545 174.4688 99 S 4.5993 7.7401 113.1136 56.7192 65.2554 174.2105 *252 S 4.7049 8.5043 118.2644 58.0675 64.3081 174.4811 253 T 4.2889 7.9326 110.1983 62.9452 68.9165 173.8763 254 E 4.5764 8.2314 123.4242 54.8987 31.2012 175.1835 255 F 4.2546 7.6525 118.1019 56.1744 41.5008 172.5245 256 V 4.8939 8.1473 118.8304 61.3406 33.9131 174.3464 257 Q 5.1889 8.8389 124.4684 54.1455 32.8166 174.1124 258 L 4.9647 8.8563 122.9057 53.1136 44.1803 175.2311 259 S 4.9245 8.8780 119.1394 56.5717 64.7357 172.7757 260 F 4.9010 8.8579 127.0802 56.5291 38.4400 175.8902 261 R 4.3790 8.8169 123.7288 57.1255 30.6182 177.8501 262 K 4.6176 8.3260 114.8480 55.5459 34.0401 175.0002 263 S 4.8013 7.8459 112.7273 56.6161 66.1347 173.2458 264 D 4.5237 8.7364 118.1135 53.2753 39.8271 177.2977 265 G 2.5659 7.8562 108.4664 46.0642 0.0000 175.9245 266 V 3.0307 8.1628 120.8079 65.7250 31.4928 178.2003 267 L 3.7371 7.6516 118.2488 57.5403 41.4683 179.1209 268 F 3.8777 8.0174 120.0839 61.3014 39.3896 177.1994 269 S 4.2611 8.2320 114.7898 61.7738 62.7892 176.6525 270 Q 4.0270 8.2767 120.8679 58.9150 28.3319 178.8535 271 A 3.8118 7.6703 121.6252 55.3296 18.3169 179.8475 272 T 3.6382 7.6748 114.1917 66.6130 68.4249 176.4386 273 E 3.9263 8.2828 120.8278 59.6681 29.5789 179.6502 274 R 3.7929 7.7994 117.6631 59.3201 30.0452 178.3047 275 A 3.9467 8.1475 120.8833 54.9867 18.2980 179.4064 276 L 3.8459 8.2723 119.1721 58.3907 42.2729 178.6328 277 E 3.8666 8.3463 119.4300 59.5609 29.1911 178.5952 278 N 4.3468 8.0088 115.6499 56.1760 38.6142 177.2477 279 I 3.8673 7.1942 120.5345 64.3633 37.3538 178.0525 280 L 4.0914 7.8533 118.8454 57.5747 41.5399 177.4122 281 T 4.1395 7.6758 112.3105 61.7099 69.0195 174.3297 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 H 8.29 4.70 0.00 3.35 3.80 0.00 5.79 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 8.09 4.08 0.00 3.60 3.46 0.00 5.46 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 7.86 4.38 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.12 0.00 2 E 8.03 3.84 0.00 1.60 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 1.47 1.89 0.00 3 Y 7.97 4.45 0.00 2.98 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 4 W 8.29 5.23 0.00 3.21 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 5 H 9.10 5.24 0.00 3.30 3.49 0.00 5.47 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 8.91 4.53 0.00 3.03 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 7 V 7.45 4.22 2.01 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 0.79 0.00 0.00 1.05 0.00 0.00 8 E 8.59 4.06 0.00 2.20 1.83 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 2.43 2.47 0.00 9 T 8.65 5.10 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 1.22 0.00 0.00 10 T 8.02 4.77 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 1.27 0.00 0.00 11 S 8.65 4.11 0.00 3.99 4.05 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 12 S 7.99 4.32 0.00 3.97 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 13 G 8.16 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 14 Q 7.64 4.39 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.92 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 15 P 0.00 4.70 0.00 2.24 2.16 0.00 3.67 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 2.24 2.25 0.00 16 L 8.87 4.36 0.00 1.67 1.71 1.01 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.47 4.71 0.00 1.58 1.72 1.14 1.13 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 18 R 9.51 4.25 0.00 1.89 1.86 0.00 3.38 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 19 E 8.65 3.99 0.00 1.94 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 2.42 0.00 20 G 8.87 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 21 E 8.18 4.30 0.00 1.94 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 2.24 2.23 0.00 22 K 8.52 4.71 0.00 1.73 1.68 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.36 7.81 23 D 8.94 4.65 0.00 2.97 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 24 I 8.88 4.46 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.90 0.95 0.00 0.00 25 F 7.95 4.92 0.00 3.12 2.88 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 0.00 0.00 0.00 0.00 26 I 7.40 5.53 1.73 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.86 0.86 0.00 0.00 27 D 9.59 5.05 0.00 2.95 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 28 Q 8.60 4.78 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.56 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 29 S 8.11 3.64 0.00 4.04 3.89 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 30 V 8.18 4.72 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 0.69 0.00 0.00 0.78 0.00 0.00 31 G 8.89 4.48 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 L 8.11 5.24 0.00 1.07 1.20 -0.45 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 9.10 4.93 0.00 2.81 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 34 H 9.01 4.85 0.00 3.27 3.17 0.00 5.93 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 35 G 8.20 2.31 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 0.00 36 K 8.53 4.26 0.00 1.80 1.94 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.61 7.81 37 S 7.63 4.86 0.00 3.86 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 38 K 8.02 3.31 0.00 1.43 1.30 0.00 1.57 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.38 1.03 7.81 39 I 8.09 3.82 1.42 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.86 0.38 0.00 0.00 40 L 8.50 3.80 0.00 1.55 1.65 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.79 4.43 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.47 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 42 R 7.49 4.64 0.00 1.35 0.72 0.00 2.98 0.00 0.00 2.94 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.39 0.00 43 Q 7.84 4.45 0.00 1.84 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.13 0.00 44 R 7.99 4.50 0.00 1.84 1.76 0.00 3.18 0.00 0.00 3.34 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.64 0.00 45 G 9.00 4.06 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 0.00 0.00 0.00 46 R 8.32 4.79 0.00 1.63 1.75 0.00 2.95 0.00 0.00 2.99 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.45 0.00 47 I 8.85 4.97 1.76 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.49 0.19 0.00 0.00 48 F 9.40 5.84 0.00 3.12 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 49 L 9.75 5.06 0.00 1.52 1.53 0.84 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.49 4.87 4.15 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 0.00 0.00 0.00 0.54 0.00 0.00 51 S 8.65 4.24 0.00 3.89 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 52 Q 7.95 4.63 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.68 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 53 R 8.26 5.17 0.00 1.71 1.85 0.00 3.24 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 54 I 8.59 5.02 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.84 1.28 0.00 0.00 55 I 9.20 5.16 2.14 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.91 1.10 0.00 0.00 56 Y 9.57 4.95 0.00 2.99 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 4.37 1.67 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 1.10 0.94 0.85 0.00 0.00 58 D 8.20 4.29 0.00 2.83 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 59 D 9.07 4.39 0.00 2.83 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 60 A 8.11 3.99 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 61 K 8.62 4.68 0.00 1.89 1.71 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.34 7.81 62 P 0.00 4.19 0.00 2.13 2.22 0.00 3.74 0.00 0.00 3.94 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 63 T 7.86 4.22 4.31 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 1.23 0.00 0.00 64 Q 8.22 4.60 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.12 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 65 N 8.31 4.99 0.00 2.87 2.88 0.00 0.00 7.16 7.59 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 66 S 7.93 4.79 0.00 3.84 3.84 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 67 L 9.16 5.37 0.00 1.40 1.72 0.43 0.78 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 68 G 9.53 4.62 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 0.00 0.00 0.00 69 L 8.76 4.92 0.00 0.33 1.15 0.49 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.79 4.52 0.00 2.19 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 2.47 2.30 0.00 71 L 8.84 3.96 0.00 1.68 1.71 0.94 0.98 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 72 D 8.09 4.47 0.00 2.62 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 73 D 8.30 4.80 0.00 2.98 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 74 L 7.70 5.15 0.00 1.74 1.57 0.89 0.66 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 75 A 8.95 4.46 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 76 Y 7.83 4.93 0.00 2.91 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 77 V 8.50 5.12 2.17 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 0.88 0.00 0.00 1.00 0.00 0.00 78 N 9.31 5.11 0.00 3.00 2.81 0.00 0.00 6.76 7.35 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 79 Y 8.87 4.92 0.00 3.04 2.88 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 0.00 0.00 0.00 0.00 80 S 8.49 4.71 0.00 3.76 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 81 S 8.82 4.21 0.00 4.16 4.13 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 82 G 8.01 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 0.00 0.00 0.00 0.00 83 F 8.47 4.01 0.00 3.02 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 84 L 8.01 4.55 0.00 1.72 1.73 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 85 T 7.43 4.61 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 1.15 0.00 0.00 86 R 8.68 3.93 0.00 1.84 2.06 0.00 3.17 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 87 S 7.54 4.95 0.00 3.74 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 88 P 0.00 4.55 0.00 2.30 1.93 0.00 3.90 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 2.36 2.22 0.00 89 R 8.64 5.23 0.00 1.55 1.66 0.00 2.98 0.00 0.00 2.94 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 90 L 9.19 5.16 0.00 2.29 1.88 1.19 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 91 I 8.98 4.71 1.68 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 1.29 0.61 0.07 0.00 0.00 92 L 8.62 4.97 0.00 1.23 1.39 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 93 F 8.87 4.79 0.00 3.20 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 94 F 8.53 5.00 0.00 3.00 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 95 K 9.14 4.16 0.00 1.73 1.94 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.47 7.81 96 D 7.74 4.90 0.00 2.62 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.78 0.00 2.64 2.35 0.00 3.97 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 98 S 9.14 4.36 0.00 4.26 4.04 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 99 S 7.74 4.60 0.00 3.87 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 *252 S 8.50 4.70 0.00 4.15 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 0.00 253 T 7.93 4.29 4.29 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 1.28 0.00 0.00 254 E 8.23 4.58 0.00 2.14 2.01 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 2.35 2.47 0.00 255 F 7.65 4.25 0.00 2.72 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 0.00 256 V 8.15 4.89 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 1.33 0.00 0.00 0.67 0.00 0.00 257 Q 8.84 5.19 0.00 1.98 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.56 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 258 L 8.86 4.96 0.00 1.32 1.13 1.16 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 259 S 8.88 4.92 0.00 3.94 3.80 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 0.00 260 F 8.86 4.90 0.00 3.08 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 0.00 261 R 8.82 4.38 0.00 1.95 2.02 0.00 3.24 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 262 K 8.33 4.62 0.00 1.74 1.81 0.00 1.73 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.35 7.81 263 S 7.85 4.80 0.00 3.96 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 0.00 264 D 8.74 4.52 0.00 2.88 2.88 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 0.00 0.00 0.00 0.00 265 G 7.86 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 0.00 0.00 0.00 266 V 8.16 3.03 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 0.82 0.00 0.00 0.66 0.00 0.00 267 L 7.65 3.74 0.00 1.68 1.16 1.05 0.85 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 0.00 268 F 8.02 3.88 0.00 3.49 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 0.00 269 S 8.23 4.26 0.00 3.91 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 0.00 270 Q 8.28 4.03 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 271 A 7.67 3.81 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 0.00 272 T 7.67 3.64 4.35 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 1.25 0.00 0.00 273 E 8.28 3.93 0.00 2.13 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 0.00 2.36 2.55 0.00 274 R 7.80 3.79 0.00 1.85 1.98 0.00 3.04 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 1.58 1.60 0.00 275 A 8.15 3.95 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 0.00 276 L 8.27 3.85 0.00 1.76 1.83 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 277 E 8.35 3.87 0.00 2.17 2.04 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 2.29 2.38 0.00 278 N 8.01 4.35 0.00 2.89 2.85 0.00 0.00 7.08 6.79 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 0.00 279 I 7.19 3.87 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.65 0.90 0.00 0.00 280 L 7.85 4.09 0.00 1.55 1.67 0.83 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 281 T 7.68 4.14 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 1.19 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.