NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.2379 8.0544 120.4456 61.2752 33.0230 174.5891 3 V 3.5306 8.4529 126.2047 62.6736 32.5240 173.6990 4 K 5.0441 9.0791 133.1137 53.7327 34.6301 171.2699 5 A 5.2111 8.8850 125.1865 50.0909 23.4644 174.2797 6 A 4.7735 8.8888 119.3698 51.8405 23.5611 176.0624 7 G 4.1675 8.3963 105.0422 45.8896 0.0000 171.6208 8 L 5.5401 8.4665 119.4473 53.0257 44.8995 177.6451 9 V 4.1151 9.3074 124.8847 62.3700 31.7090 174.4011 10 I 4.9054 8.3890 129.0591 61.0075 38.6542 174.6281 11 Y 5.7496 9.2169 124.1240 55.4218 41.9918 174.0236 12 R 4.6505 9.2513 116.0062 54.4188 33.8620 173.5899 13 K 4.7948 8.4323 120.4000 54.6526 34.1664 174.9838 14 L 4.2967 9.1463 130.6682 53.7430 42.6482 175.8685 15 A 3.9010 9.7246 130.8550 53.0974 16.0512 177.7164 16 G 3.9559 8.6050 108.6286 45.9387 0.0000 173.8055 17 K 4.5457 7.7335 121.8883 54.6571 34.0809 175.5851 18 I 4.4630 8.3529 128.3948 61.4523 37.9007 175.2178 19 E 4.9626 9.2390 125.5602 54.6663 33.9255 174.4927 20 F 5.5052 9.6424 122.4233 55.8345 41.7699 174.5515 21 L 4.2405 8.7639 125.8728 54.1516 42.6142 175.7817 22 L 5.1445 8.7573 125.8700 52.9439 45.5509 175.3466 23 L 5.2531 9.1674 122.2187 53.0249 45.1907 175.1119 24 Q 4.0568 8.3057 124.6489 53.8174 30.1786 174.7522 25 A 4.4204 8.3822 129.2076 52.2733 19.3516 178.0831 26 S 4.3379 8.7794 117.2455 59.4882 64.0229 174.4769 *27 Y 4.7143 7.3144 120.0739 54.0262 39.7838 178.8266 28 P 4.3156 0.0000 0.0000 61.6912 31.9439 174.4378 29 P 4.5413 0.0000 0.0000 62.7218 31.2839 175.5933 30 H 4.3239 8.3637 113.7300 56.5139 26.7475 174.7020 31 H 4.8084 8.2469 113.5330 55.3900 30.4793 173.5939 32 W 5.8694 9.1253 118.5092 54.5504 31.2719 175.4173 33 T 4.8836 8.3603 112.8781 59.5465 72.3605 171.1701 34 P 5.0080 0.0000 0.0000 61.3805 32.9045 174.6025 35 P 4.6055 0.0000 0.0000 63.2132 31.9749 175.9688 36 K 4.6203 8.7816 121.6078 56.8340 35.8879 174.0748 37 G 4.0996 8.2366 107.6571 46.5795 0.0000 172.3246 38 H 4.8722 8.7245 116.9847 55.4563 29.5405 176.1096 39 V 3.7676 8.4161 122.6868 63.2056 31.9286 175.8058 40 D 4.7907 9.0086 128.0616 52.0152 42.3590 174.1120 41 P 4.4370 0.0000 0.0000 64.5853 31.5446 177.4265 42 G 3.9796 8.9683 110.4730 45.4030 0.0000 173.1462 43 E 5.3544 8.0599 118.0949 54.5579 31.3905 175.3338 44 D 5.0316 8.2516 120.5124 51.7015 43.2965 176.8474 45 E 4.0883 8.7347 117.7526 59.3305 29.4480 179.1393 46 W 3.7875 8.5397 127.8761 60.6863 30.7348 177.8199 47 Q 3.8714 8.8415 117.8188 58.8350 28.1040 178.8287 48 A 4.0357 8.0707 121.5310 55.1042 18.5676 179.4778 49 A 4.0830 8.2303 119.5313 55.3838 18.4598 180.0305 50 I 3.4046 7.2920 118.0107 64.3743 37.0747 178.7018 51 R 3.8268 7.9809 119.6304 59.5194 29.6914 178.4476 52 E 3.9550 8.5861 118.8007 59.5200 29.3806 179.5308 53 T 3.9765 7.9174 118.1987 67.0597 68.6325 177.5217 54 K 4.3701 7.9083 126.9079 59.3422 31.5084 180.9179 55 E 4.1344 8.2415 119.3074 59.1670 29.5308 178.8049 56 E 4.2609 8.6374 118.1894 57.3665 29.9091 177.4986 57 A 4.5270 7.6489 118.1577 49.4050 20.3850 175.5140 58 N 4.0459 7.9209 112.5123 54.5208 37.9698 173.5496 59 I 4.5059 7.5287 116.9201 59.2008 39.2733 175.7561 60 T 4.5177 9.5957 116.9850 59.9213 70.4939 175.7380 61 K 3.8137 8.4417 123.1204 59.6136 32.2905 178.7838 62 E 4.0613 7.5616 116.9193 58.8644 29.5572 177.6580 63 Q 4.2829 7.9888 116.6114 56.2807 29.2463 174.9731 64 L 5.1015 7.5140 117.8070 53.1207 45.1164 176.6492 65 T 4.4307 8.6229 119.0547 62.0531 70.1110 173.1803 66 I 4.3969 8.1725 127.6342 60.6515 38.6136 176.2357 67 H 4.7632 9.1681 125.6259 54.4735 27.4956 175.8902 68 E 4.2965 8.9371 127.3680 59.6796 29.5647 178.6383 69 D 4.8190 8.1987 115.5990 53.0948 40.1139 180.5807 70 C 4.3033 8.1413 120.8769 58.2545 31.7884 172.2980 71 H 5.4247 7.8983 119.4875 53.8081 31.4795 172.5565 72 E 4.7892 9.0456 120.1156 55.4627 33.5186 173.6234 73 T 5.1099 8.4366 120.8582 61.8295 71.2677 173.4761 74 L 4.7735 9.0938 128.7649 54.0853 44.1940 176.1703 *75 F 5.3088 8.4928 121.7898 55.7695 41.4047 173.5817 76 Y 4.8173 8.1767 120.4657 54.9383 41.9157 173.1114 77 E 4.7212 8.8399 121.3201 55.6791 30.8251 175.6575 78 A 4.5135 9.1303 132.1011 52.0004 22.0256 176.5969 79 K 4.1191 9.4924 125.3744 55.8944 28.8666 172.9034 80 G 4.0075 8.6701 107.4148 47.0636 0.0000 174.2564 81 K 4.7725 7.6123 121.2475 52.3378 36.7643 178.1635 82 P 4.7044 0.0000 0.0000 63.0817 32.7348 175.4408 83 K 4.9878 8.8375 124.2318 54.5422 35.9391 174.7982 84 S 5.1547 9.0310 121.3766 56.4584 66.0724 173.1824 85 V 4.4260 8.7400 122.5354 61.0051 34.1738 173.9033 86 K 4.6199 8.6573 130.6333 55.6405 33.6655 174.8753 87 Y 5.8800 8.9559 124.8972 55.2986 41.2893 174.6660 88 W 5.3684 9.1660 122.3734 54.8327 32.6213 174.7901 89 L 4.8812 8.4110 125.2658 54.9977 43.0859 175.5837 90 A 5.0366 9.2721 126.8667 50.4549 23.0340 174.7292 91 K 3.5422 8.8965 124.9989 54.9074 33.7927 175.4914 92 L 4.4536 8.5322 130.8912 54.6382 41.5014 176.0819 93 N 4.4715 8.6333 125.2975 55.6421 39.0023 175.3639 94 N 4.9496 7.8073 113.1077 50.5450 42.0968 172.8570 95 P 4.5114 0.0000 0.0000 62.4443 30.4001 176.8814 96 D 4.5509 7.6283 117.3764 54.3581 41.9567 176.0275 97 D 4.8912 8.2570 121.2460 52.5962 42.5015 176.6918 98 V 3.8024 8.0118 124.1936 62.8094 31.9616 175.1628 99 Q 4.4247 8.4472 125.2039 54.2261 32.8791 174.5903 100 L 4.8876 8.8590 122.8444 52.9831 44.5107 175.4861 101 S 4.9586 8.1045 115.2226 56.6333 65.9174 174.3232 102 H 4.3529 8.8137 114.1787 58.1760 28.4738 176.2666 103 E 4.0789 7.7872 119.7259 58.2767 29.5935 176.0527 104 H 5.3786 7.8902 114.4855 53.9747 32.5512 173.0880 105 Q 4.4938 8.4913 118.1187 55.7845 29.8620 174.2466 106 N 4.6483 7.4528 116.2561 53.3130 42.4366 172.1723 107 W 5.9872 8.2894 117.7139 55.6049 31.7992 173.7338 108 K 4.6355 9.3285 119.9760 55.1337 35.6222 174.3638 109 W 5.2279 9.0217 126.9398 55.9574 30.1987 175.3460 110 C 5.0328 9.4223 123.2908 57.5787 30.9865 174.2790 111 E 4.6453 8.9409 122.4532 56.0398 30.2702 177.4217 112 L 4.0747 9.0448 122.8495 59.0529 41.9705 179.5341 113 E 3.9802 8.1770 117.5434 59.3440 29.3838 178.7496 114 D 4.2433 8.0798 117.4966 57.1592 41.3081 177.8842 115 A 3.9222 8.4455 121.7744 55.1793 18.3801 179.7252 116 I 3.5890 7.9084 120.6674 64.9495 36.9651 179.3689 117 K 3.8833 7.7415 123.1604 59.9979 31.5929 180.6874 118 I 3.7707 7.6777 120.2059 63.9138 37.0008 178.2271 119 A 4.1652 8.0040 121.1095 53.1075 18.2044 178.2529 120 D 4.5639 7.9689 120.5921 55.7335 42.1513 174.6704 121 Y 4.2507 6.9248 116.6100 57.2345 39.0908 175.8453 122 A 3.9809 8.8489 127.3242 55.7160 18.5005 179.5002 123 E 3.8817 8.1662 116.1869 59.7201 29.4905 179.1341 124 M 3.9965 8.0880 117.9247 58.3185 32.3379 178.1432 125 G 3.5815 8.1248 105.9321 48.1571 0.0000 175.7274 126 S 4.0843 8.0955 118.1823 60.8889 62.6883 176.6897 127 L 3.6404 7.7505 122.9310 58.0607 41.7520 179.0361 128 L 3.5211 7.6954 119.0320 57.6562 41.3510 179.7716 129 R 3.9767 8.1262 120.5009 59.6620 29.9360 179.8690 130 K 4.0743 8.1095 123.4689 59.9958 31.7443 181.1507 131 F 4.5944 8.6339 119.8289 60.4378 38.7392 177.7991 132 S 4.2970 8.7706 113.1262 61.4151 61.9884 176.1211 133 A 4.0884 8.2620 122.9004 54.9267 18.4036 179.0156 134 F 4.2011 8.5118 119.4141 61.6072 39.3736 177.4678 135 L 4.0351 8.2449 118.2462 57.5716 41.0985 179.3496 136 A 4.1356 7.8082 120.0510 54.1288 18.3955 178.8129 137 G 3.8326 7.4095 101.1181 44.6286 0.0000 173.5712 138 F 4.0415 7.4490 128.3418 58.2230 39.3679 174.7884 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 V 8.05 4.24 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 0.82 0.00 0.00 0.89 0.00 0.00 3 V 8.45 3.53 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 0.85 0.00 0.00 0.89 0.00 0.00 4 K 9.08 5.04 0.00 1.47 1.65 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.76 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 0.99 7.81 5 A 8.89 5.21 1.09 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 6 A 8.89 4.77 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 7 G 8.40 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 8 L 8.47 5.54 0.00 1.60 1.67 0.77 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 9 V 9.31 4.12 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 1.26 0.00 0.00 0.84 0.00 0.00 10 I 8.39 4.91 1.92 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 1.64 0.77 1.11 0.00 0.00 11 Y 9.22 5.75 0.00 2.86 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 12 R 9.25 4.65 0.00 1.44 1.51 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.16 0.00 13 K 8.43 4.79 0.00 1.78 1.72 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.33 1.46 7.81 14 L 9.15 4.30 0.00 1.51 1.44 0.83 0.89 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 15 A 9.72 3.90 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 16 G 8.61 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 0.00 0.00 0.00 17 K 7.73 4.55 0.00 1.91 1.77 0.00 1.55 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.46 7.81 18 I 8.35 4.46 1.82 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 0.88 0.44 0.00 0.00 19 E 9.24 4.96 0.00 1.96 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 0.00 2.29 2.27 0.00 20 F 9.64 5.51 0.00 3.10 3.03 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 21 L 8.76 4.24 0.00 0.27 1.21 -0.06 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.76 5.14 0.00 1.80 1.87 0.86 0.20 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 23 L 9.17 5.25 0.00 1.35 1.31 0.67 0.61 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 24 Q 8.31 4.06 0.00 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.97 0.00 0.00 0.00 0.00 0.00 1.64 1.16 0.00 25 A 8.38 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.78 4.34 0.00 3.99 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 *27 Y 7.31 4.71 0.00 2.22 2.15 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 0.00 28 P 0.00 4.32 0.00 1.96 1.87 0.00 3.59 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 29 P 0.00 4.54 0.00 2.21 2.15 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.10 0.00 30 H 8.36 4.32 0.00 3.33 3.31 0.00 5.61 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 H 8.25 4.81 0.00 3.46 3.60 0.00 5.41 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 W 9.13 5.87 0.00 3.08 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.36 4.88 4.43 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 0.00 0.00 0.00 1.39 0.00 0.00 34 P 0.00 5.01 0.00 2.23 2.16 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.04 0.00 35 P 0.00 4.61 0.00 2.08 1.94 0.00 3.94 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 36 K 8.78 4.62 0.00 1.68 1.78 0.00 1.54 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.53 7.81 37 G 8.24 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 0.00 0.00 0.00 38 H 8.72 4.87 0.00 3.06 3.22 0.00 5.71 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.42 3.77 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 0.81 0.00 0.00 0.96 0.00 0.00 40 D 9.01 4.79 0.00 2.93 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 41 P 0.00 4.44 0.00 2.03 2.01 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 42 G 8.97 3.98 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 0.00 0.00 0.00 43 E 8.06 5.35 0.00 2.12 1.91 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 2.29 2.20 0.00 44 D 8.25 5.03 0.00 2.98 2.87 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 0.00 0.00 0.00 45 E 8.73 4.09 0.00 2.37 2.36 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 2.46 2.46 0.00 46 W 8.54 3.79 0.00 3.10 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 47 Q 8.84 3.87 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.66 0.00 48 A 8.07 4.04 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.23 4.08 1.48 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 50 I 7.29 3.40 1.66 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.12 0.69 0.00 0.00 51 R 7.98 3.83 0.00 1.81 1.93 0.00 3.21 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 52 E 8.59 3.95 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 2.40 2.53 0.00 53 T 7.92 3.98 4.37 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 1.20 0.00 0.00 54 K 7.91 4.37 0.00 1.78 1.82 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.21 7.81 55 E 8.24 4.13 0.00 2.01 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 2.32 2.45 0.00 56 E 8.64 4.26 0.00 1.98 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 2.30 2.43 0.00 57 A 7.65 4.53 1.09 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 58 N 7.92 4.05 0.00 2.96 2.80 0.00 0.00 6.99 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 59 I 7.53 4.51 1.82 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 1.45 1.43 0.88 0.00 0.00 60 T 9.60 4.52 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 1.19 0.00 0.00 61 K 8.44 3.81 0.00 1.71 1.78 0.00 1.47 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.49 7.81 62 E 7.56 4.06 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 2.33 2.31 0.00 63 Q 7.99 4.28 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.71 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 64 L 7.51 5.10 0.00 1.57 1.47 0.84 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.62 4.43 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 1.27 0.00 0.00 66 I 8.17 4.40 2.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.42 0.95 0.00 0.00 67 H 9.17 4.76 0.00 3.02 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.94 4.30 0.00 2.02 2.02 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 2.32 2.38 0.00 69 D 8.20 4.82 0.00 2.69 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 70 C 8.14 4.30 0.00 1.23 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 0.00 0.00 0.00 71 H 7.90 5.42 0.00 2.60 2.49 0.00 5.79 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 E 9.05 4.79 0.00 2.21 1.80 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 2.10 2.31 0.00 73 T 8.44 5.11 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 1.16 0.00 0.00 74 L 9.09 4.77 0.00 1.82 1.78 1.01 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 *75 F 8.49 5.31 0.00 2.01 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 0.00 0.00 0.00 76 Y 8.18 4.82 0.00 2.87 2.93 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 0.00 0.00 0.00 0.00 77 E 8.84 4.72 0.00 2.03 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 0.00 2.29 2.31 0.00 78 A 9.13 4.51 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.49 4.12 0.00 1.95 1.75 0.00 1.94 0.00 0.00 1.71 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 0.99 7.81 80 G 8.67 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 0.00 0.00 0.00 81 K 7.61 4.77 0.00 1.43 1.60 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.26 1.28 7.81 82 P 0.00 4.70 0.00 2.01 1.95 0.00 3.47 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 83 K 8.84 4.99 0.00 1.56 1.19 0.00 1.47 0.00 0.00 1.36 0.00 0.00 2.75 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.90 1.32 7.81 84 S 9.03 5.15 0.00 3.79 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 85 V 8.74 4.43 2.14 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 0.47 0.00 0.00 0.86 0.00 0.00 86 K 8.66 4.62 0.00 1.85 1.51 0.00 1.39 0.00 0.00 1.34 0.00 0.00 2.13 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.52 1.01 7.81 87 Y 8.96 5.88 0.00 3.04 3.01 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 88 W 9.17 5.37 0.00 3.40 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 89 L 8.41 4.88 0.00 0.86 1.13 1.27 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 90 A 9.27 5.04 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 91 K 8.90 3.54 0.00 1.42 1.47 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.71 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.10 0.60 7.81 92 L 8.53 4.45 0.00 1.70 1.53 0.97 1.20 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 93 N 8.63 4.47 0.00 2.58 2.82 0.00 0.00 6.86 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 94 N 7.81 4.95 0.00 2.63 2.68 0.00 0.00 6.93 8.02 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 95 P 0.00 4.51 0.00 2.00 1.97 0.00 3.64 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 1.98 2.04 0.00 96 D 7.63 4.55 0.00 2.66 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.26 4.89 0.00 2.65 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 98 V 8.01 3.80 0.71 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 -0.39 0.00 0.00 0.66 0.00 0.00 99 Q 8.45 4.42 0.00 1.91 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.48 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 100 L 8.86 4.89 0.00 1.60 1.64 1.15 0.97 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 0.00 101 S 8.10 4.96 0.00 3.81 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 0.00 102 H 8.81 4.35 0.00 3.24 3.50 0.00 5.72 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 0.00 103 E 7.79 4.08 0.00 1.92 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 2.24 1.96 0.00 104 H 7.89 5.38 0.00 3.07 3.19 0.00 5.79 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Q 8.49 4.49 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.17 0.00 106 N 7.45 4.65 0.00 2.66 2.53 0.00 0.00 6.70 7.95 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 0.00 107 W 8.29 5.99 0.00 3.32 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 0.00 108 K 9.33 4.64 0.00 1.84 1.54 0.00 1.44 0.00 0.00 1.39 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.42 7.81 109 W 9.02 5.23 0.00 3.32 3.36 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 0.00 110 C 9.42 5.03 0.00 2.92 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 0.00 111 E 8.94 4.65 0.00 2.09 1.94 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 2.45 2.36 0.00 112 L 9.04 4.07 0.00 2.01 1.81 0.85 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.18 3.98 0.00 2.02 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 2.42 2.31 0.00 114 D 8.08 4.24 0.00 2.73 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 0.00 115 A 8.45 3.92 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.91 3.59 1.96 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.84 0.84 0.00 0.00 117 K 7.74 3.88 0.00 1.86 1.73 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.36 7.81 118 I 7.68 3.77 1.59 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.76 -0.20 0.00 0.00 119 A 8.00 4.17 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 0.00 120 D 7.97 4.56 0.00 2.58 2.27 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 0.00 121 Y 6.92 4.25 0.00 3.04 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 0.00 122 A 8.85 3.98 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 0.00 123 E 8.17 3.88 0.00 1.99 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 2.41 2.34 0.00 124 M 8.09 4.00 0.00 2.26 2.05 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.61 0.00 125 G 8.12 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.10 4.08 0.00 3.96 3.88 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 0.00 127 L 7.75 3.64 0.00 1.57 1.50 0.69 -0.72 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 0.00 128 L 7.70 3.52 0.00 1.58 1.19 0.65 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 129 R 8.13 3.98 0.00 1.98 1.97 0.00 3.10 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 1.61 1.79 0.00 130 K 8.11 4.07 0.00 1.77 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.36 7.81 131 F 8.63 4.59 0.00 3.03 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 0.00 132 S 8.77 4.30 0.00 4.12 4.16 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.26 4.09 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 134 F 8.51 4.20 0.00 3.20 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 0.00 135 L 8.24 4.04 0.00 1.89 1.66 0.17 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 136 A 7.81 4.14 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 0.00 137 G 7.41 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 0.00 0.00 0.00 138 F 7.45 4.04 0.00 2.46 2.93 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.