NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 T 4.3306 8.0327 110.9369 61.2610 70.6419 175.1848 11 N 4.1341 8.2962 123.4387 57.0359 38.6541 175.2097 12 Q 4.0030 8.7982 120.3860 59.0690 29.4310 177.9725 13 L 4.1286 7.9722 119.4447 58.0828 41.7140 179.5688 14 Q 4.1250 8.6363 118.4285 58.8634 28.5681 178.1016 15 Y 4.0187 8.5095 121.0583 60.7684 38.4621 177.8176 16 L 4.0641 8.6281 120.3689 58.1114 41.4680 179.1325 17 H 4.2242 8.2281 117.1273 59.3460 30.1318 177.2199 18 K 4.1214 8.4733 118.7680 57.6954 32.1692 178.0699 19 V 4.0928 7.7601 117.0114 64.3038 32.8956 177.3890 20 V 3.7053 6.5390 114.9622 64.0878 31.5884 177.0574 *22 K 4.2373 8.1002 119.8844 56.7863 33.6829 177.6411 23 A 4.1913 7.8297 119.8988 55.2802 18.4781 178.9029 24 L 4.2945 8.5488 116.3410 57.6418 42.0207 179.3370 25 W 4.3150 8.6498 127.4953 60.0378 30.6196 176.4951 26 K 4.3207 7.7222 113.4359 57.1277 33.0285 176.4651 27 H 4.1902 7.9046 121.3004 56.0430 30.2856 176.0329 28 Q 4.1163 8.3115 123.7432 59.1283 28.2477 177.3529 29 F 4.9672 8.3810 115.4031 58.4304 39.6936 177.0051 30 A 4.1105 8.3848 124.7681 54.1577 18.4774 179.7020 31 W 4.3132 7.5585 112.8938 59.1002 28.0823 176.0430 32 P 3.6857 0.0000 0.0000 63.7119 30.5430 176.5977 33 F 4.7718 7.6534 115.2245 57.1921 39.6758 176.6169 34 R 4.1559 7.7450 120.1773 57.7176 30.3133 175.9108 35 Q 4.7052 7.5164 113.8322 53.1448 31.8135 172.8849 36 P 4.2166 0.0000 0.0000 62.5139 31.8608 176.6563 37 V 3.2283 8.0965 121.2465 63.1589 31.6405 176.0310 38 D 4.5439 8.3222 127.1361 52.8409 40.9241 176.1002 39 A 3.8576 8.2130 129.7026 54.6353 18.5527 179.1813 40 V 3.6356 7.7319 116.4449 66.2914 31.6238 178.3324 41 K 4.0100 8.0499 116.8930 59.1752 32.0214 178.6853 42 L 4.2896 7.9381 116.6876 54.1857 42.4193 176.4554 43 G 3.7497 7.8299 106.1333 47.2606 0.0000 174.6088 44 L 4.9159 8.3946 116.3746 51.9379 41.9229 176.4132 45 P 4.2549 0.0000 0.0000 65.4623 31.7132 177.4266 46 D 4.7380 8.0873 116.1552 53.3661 40.5527 177.1978 47 Y 3.5209 8.4332 122.6345 61.4475 38.4674 177.5431 48 H 4.7537 7.9263 114.4708 56.5865 29.1743 177.1904 49 K 4.1537 7.8170 120.1686 58.9165 32.1149 178.5150 50 I 4.1949 7.5692 118.9801 62.1249 37.8617 176.1705 51 I 4.0892 7.4877 122.7669 59.7451 37.2162 176.6378 52 K 4.2541 8.4827 125.5071 57.9263 32.5066 177.4555 53 Q 4.4040 7.5323 116.4422 52.6948 29.2520 172.7106 54 P 4.5440 0.0000 0.0000 62.2878 33.7434 177.8047 *56 D 4.5511 7.9418 118.2419 53.4275 40.3850 177.7620 *58 G 4.1202 8.6457 103.4553 45.9229 0.0000 174.4660 59 T 3.7303 8.5868 117.3528 66.2752 68.3038 176.6749 60 I 3.7444 7.3460 122.5960 63.5896 37.0275 178.3147 61 K 3.7499 7.8374 119.6919 59.5647 32.0982 178.5557 62 R 4.0158 7.7393 120.1655 58.8796 29.8920 178.7086 63 R 3.7275 8.0058 118.1405 59.0961 30.0440 179.0176 64 L 4.1348 8.2457 119.0991 57.9552 41.4300 179.4793 65 E 4.0783 8.4349 118.6024 58.5544 29.0394 178.1155 66 N 4.9232 7.7441 113.9109 51.8416 39.0510 174.3113 67 N 4.3069 8.0255 115.5188 54.1909 37.0446 175.2160 68 Y 4.1353 8.1260 120.7182 60.7983 39.1694 176.6609 69 Y 4.3873 7.7169 117.3020 57.6884 38.6423 176.6309 70 W 4.3581 9.2269 133.6496 60.0116 31.5563 175.6054 71 A 4.5073 7.8611 118.0913 50.8099 21.4398 176.4170 72 A 4.0602 8.7710 122.9225 55.4479 18.5590 180.5167 73 S 4.2127 8.1436 108.9758 61.4988 63.5293 175.5248 74 E 4.1748 8.3282 120.3155 59.5501 29.4917 179.3873 75 C 3.0828 7.3376 116.4200 59.5303 30.9292 174.7818 *77 Q 4.3718 8.1839 121.1567 55.7618 30.3706 176.8820 78 D 4.3301 8.0754 116.8621 57.2344 40.8164 178.3386 79 F 3.7238 7.8297 117.3670 60.3385 39.0116 176.8474 80 N 4.6980 8.1750 116.0315 57.0008 38.7088 177.5318 81 T 4.0009 7.8691 114.2674 64.3706 68.5710 175.9674 *83 F 4.5019 7.9939 121.3218 57.9308 41.1180 177.5133 84 T 4.0738 8.2659 117.3699 66.7580 68.0805 176.1023 85 N 4.2942 8.4052 118.6243 56.5744 38.5406 176.8360 86 C 4.2006 7.9686 119.1216 62.8085 31.5128 174.8308 87 Y 4.4433 7.5767 118.2131 61.4495 37.2911 179.0404 88 I 3.8062 8.1217 119.5427 64.4342 37.2962 177.6634 89 Y 4.1574 8.0998 119.2432 59.7240 39.0631 175.7028 90 N 4.5923 7.7528 115.4918 52.2913 39.8281 175.0940 91 K 4.1604 8.2183 119.0627 55.7219 32.7060 176.8572 92 P 4.3291 0.0000 0.0000 65.4215 31.3521 177.4581 93 T 4.2473 7.6857 106.0128 61.9908 69.9712 174.6597 94 D 4.4119 7.8492 123.0408 54.5204 41.6835 176.9683 95 D 4.3981 8.7564 125.4693 57.1080 41.2208 178.3928 96 I 3.5949 8.0831 119.1571 63.9037 38.3522 177.2502 97 V 3.8724 7.9664 119.8033 66.0072 31.5188 178.9663 98 L 4.1645 7.4896 118.0403 55.4072 41.5747 178.4052 *100 A 4.0848 8.1890 121.1398 51.8033 20.6158 179.8005 101 Q 4.1139 8.3685 116.2747 58.8123 28.6253 179.2381 102 T 3.9197 8.1890 116.8518 66.8738 68.5880 176.6678 103 L 3.9789 7.8108 120.1994 57.7288 41.6758 179.0729 104 E 3.4348 8.0194 119.6615 58.7172 29.3387 179.0088 105 K 3.9348 8.0246 118.6985 59.4107 32.0324 179.3363 106 I 3.6634 7.5401 119.7600 64.2467 36.9768 177.9189 107 F 4.0922 8.5537 121.9316 61.5833 39.1276 177.3295 108 L 3.5746 8.0385 118.2329 57.6348 41.2025 178.9608 109 Q 3.9227 7.8977 118.4604 59.4504 29.1766 178.6693 110 K 4.1961 8.2292 119.3329 59.2410 31.9778 179.3504 111 V 3.5335 7.6810 117.8684 66.0733 31.3362 177.7385 112 A 4.2700 7.8735 119.3489 53.3961 18.6414 177.4869 113 S 4.2954 7.5618 113.6328 56.7014 62.2460 172.2009 *115 P 4.1729 0.0000 0.0000 62.2588 33.0996 177.1445 116 Q 4.9615 7.8448 118.6670 56.9640 28.2324 173.4023 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 10 T 8.03 4.33 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 1.19 0.00 0.00 11 N 8.30 4.13 0.00 2.93 2.86 0.00 0.00 7.11 6.24 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 12 Q 8.80 4.00 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 13 L 7.97 4.13 0.00 1.89 1.83 1.03 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 8.64 4.12 0.00 2.35 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.57 0.00 15 Y 8.51 4.02 0.00 3.16 3.22 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 16 L 8.63 4.06 0.00 1.98 1.91 1.01 1.15 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 17 H 8.23 4.22 0.00 3.28 3.50 0.00 5.94 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.47 4.12 0.00 2.00 1.82 0.00 1.35 0.00 0.00 1.47 0.00 0.00 3.03 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.42 7.81 19 V 7.76 4.09 1.15 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 0.77 0.00 0.00 0.79 0.00 0.00 20 V 6.54 3.71 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 0.88 0.00 0.00 0.74 0.00 0.00 *22 K 8.10 4.24 0.00 1.92 1.99 0.00 1.78 0.00 0.00 1.93 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.50 7.81 23 A 7.83 4.19 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 24 L 8.55 4.29 0.00 2.00 1.98 0.92 1.20 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 25 W 8.65 4.31 0.00 3.45 3.23 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 26 K 7.72 4.32 0.00 2.05 2.06 0.00 1.76 0.00 0.00 1.90 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.79 1.43 7.81 27 H 7.90 4.19 0.00 3.40 3.36 0.00 5.59 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 8.31 4.12 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 1.89 1.89 0.00 29 F 8.38 4.97 0.00 3.18 3.13 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 30 A 8.38 4.11 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 31 W 7.56 4.31 0.00 3.31 3.23 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 32 P 0.00 3.69 0.00 0.49 0.96 0.00 2.97 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.44 0.00 33 F 7.65 4.77 0.00 3.06 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 R 7.75 4.16 0.00 1.68 1.62 0.00 2.65 0.00 0.00 2.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.39 0.00 35 Q 7.52 4.71 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.92 0.00 0.00 0.00 0.00 0.00 2.18 2.30 0.00 36 P 0.00 4.22 0.00 2.03 2.02 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.26 0.00 37 V 8.10 3.23 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 -0.34 0.00 0.00 0.57 0.00 0.00 38 D 8.32 4.54 0.00 2.68 2.49 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 39 A 8.21 3.86 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 40 V 7.73 3.64 2.19 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 1.06 0.00 0.00 0.93 0.00 0.00 41 K 8.05 4.01 0.00 1.75 1.84 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.83 1.61 7.81 42 L 7.94 4.29 0.00 1.70 1.65 0.89 0.70 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 43 G 7.83 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 0.00 0.00 0.00 44 L 8.39 4.92 0.00 1.61 1.60 1.04 0.04 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 45 P 0.00 4.25 0.00 2.21 2.25 0.00 3.91 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 46 D 8.09 4.74 0.00 2.94 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 47 Y 8.43 3.52 0.00 2.73 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 48 H 7.93 4.75 0.00 3.21 3.33 0.00 5.80 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.82 4.15 0.00 1.96 1.88 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.55 7.81 50 I 7.57 4.19 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.54 0.98 0.00 0.00 51 I 7.49 4.09 0.98 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 0.63 0.57 0.81 0.00 0.00 52 K 8.48 4.25 0.00 1.72 1.85 0.00 1.66 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.39 7.81 53 Q 7.53 4.40 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.02 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 54 P 0.00 4.54 0.00 2.09 2.15 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 *56 D 7.94 4.55 0.00 3.11 2.19 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 *58 G 8.65 4.12 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 59 T 8.59 3.73 4.34 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 1.04 0.00 0.00 60 I 7.35 3.74 1.51 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.07 0.55 0.00 0.00 61 K 7.84 3.75 0.00 1.50 1.59 0.00 0.91 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.20 7.81 62 R 7.74 4.02 0.00 1.96 1.94 0.00 3.13 0.00 0.00 3.19 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.45 0.00 63 R 8.01 3.73 0.00 1.87 1.21 0.00 2.82 0.00 0.00 2.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 1.27 0.00 64 L 8.25 4.13 0.00 1.63 1.57 1.07 1.36 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 65 E 8.43 4.08 0.00 2.07 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 2.32 2.37 0.00 66 N 7.74 4.92 0.00 2.79 2.82 0.00 0.00 7.11 7.94 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 67 N 8.03 4.31 0.00 2.90 2.92 0.00 0.00 6.81 7.55 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 68 Y 8.13 4.14 0.00 2.74 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 69 Y 7.72 4.39 0.00 3.22 3.09 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 70 W 9.23 4.36 0.00 3.19 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 71 A 7.86 4.51 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 72 A 8.77 4.06 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 73 S 8.14 4.21 0.00 4.05 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 74 E 8.33 4.17 0.00 2.45 2.35 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 2.55 2.40 0.00 75 C 7.34 3.08 0.00 1.53 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.18 4.37 0.00 2.59 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.55 6.69 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 78 D 8.08 4.33 0.00 2.82 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 79 F 7.83 3.72 0.00 2.49 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 0.00 0.00 0.00 80 N 8.18 4.70 0.00 3.03 3.09 0.00 0.00 7.16 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 81 T 7.87 4.00 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 1.22 0.00 0.00 *83 F 7.99 4.50 0.00 3.17 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 84 T 8.27 4.07 4.51 0.00 0.00 0.00 0.00 0.00 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 85 N 8.41 4.29 0.00 2.75 2.95 0.00 0.00 6.68 8.05 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 86 C 7.97 4.20 0.00 3.15 2.91 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 87 Y 7.58 4.44 0.00 3.21 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 88 I 8.12 3.81 2.01 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 1.48 0.69 0.95 0.00 0.00 89 Y 8.10 4.16 0.00 2.93 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 90 N 7.75 4.59 0.00 2.94 2.79 0.00 0.00 7.15 8.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 8.22 4.16 0.00 1.83 1.71 0.00 1.50 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.50 1.49 7.81 92 P 0.00 4.33 0.00 2.03 2.13 0.00 3.65 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 2.02 2.09 0.00 93 T 7.69 4.25 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 1.21 0.00 0.00 94 D 7.85 4.41 0.00 2.75 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.76 4.40 0.00 2.74 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 96 I 8.08 3.59 1.71 0.00 0.00 0.61 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 0.25 1.11 0.00 0.00 97 V 7.97 3.87 2.30 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 1.08 0.00 0.00 1.07 0.00 0.00 98 L 7.49 4.16 0.00 1.86 1.46 0.91 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 *100 A 8.19 4.08 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.37 4.11 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.73 0.00 0.00 0.00 0.00 0.00 2.26 2.51 0.00 102 T 8.19 3.92 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 103 L 7.81 3.98 0.00 1.71 1.84 1.07 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.02 3.43 0.00 1.16 1.59 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 2.28 2.17 0.00 105 K 8.02 3.93 0.00 1.98 1.82 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.57 7.81 106 I 7.54 3.66 2.02 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 1.42 0.65 0.94 0.00 0.00 107 F 8.55 4.09 0.00 2.99 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 0.00 108 L 8.04 3.57 0.00 1.67 1.60 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 7.90 3.92 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 110 K 8.23 4.20 0.00 1.86 1.84 0.00 1.79 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.56 7.81 111 V 7.68 3.53 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 0.64 0.00 0.00 0.21 0.00 0.00 112 A 7.87 4.27 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 0.00 113 S 7.56 4.30 0.00 3.95 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 *115 P 0.00 4.17 0.00 1.97 2.05 0.00 3.42 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.92 0.00 116 Q 7.84 4.96 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.65 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 * Residues marked with a * may have inaccurate shift predictions.