NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.4070 8.3144 122.0578 56.5840 33.6468 174.3958 2 E 4.6354 8.9264 126.2483 54.2542 33.6463 168.2632 3 V 4.9571 9.1856 124.9383 61.1583 34.8623 173.7529 4 E 4.7606 9.5562 127.4996 54.8217 31.6290 175.0042 5 Q 4.4782 8.4622 122.8838 55.9002 31.2036 176.0695 6 N 3.2153 8.5410 113.6527 53.0655 40.4657 177.1407 7 S 4.5318 8.1544 116.5243 58.5160 66.5679 174.6116 8 G 4.3554 8.2546 114.3096 45.9116 0.0000 172.0605 9 P 4.9722 0.0000 0.0000 62.4692 32.4885 175.6960 10 L 4.6100 9.4778 126.8626 53.5960 43.8492 174.8336 11 S 5.2907 8.6542 122.7790 57.1486 64.6714 174.2753 12 V 4.6936 8.6523 117.0724 58.7949 36.1854 173.4213 13 P 4.8601 0.0000 0.0000 62.2227 33.0695 175.0036 14 E 4.1909 8.9893 123.4233 58.2450 29.2637 176.6200 15 G 3.9775 8.9987 115.7472 45.4878 0.0000 173.3365 16 A 4.4275 7.9762 121.8056 51.4182 20.8167 175.7923 17 I 4.7712 8.1775 118.2755 60.0061 38.9812 175.6606 18 A 4.7757 8.6637 128.6715 50.0552 21.2162 175.2055 19 S 4.9903 8.6448 117.2445 56.5635 65.6415 173.5475 20 L 4.8444 8.8989 123.8467 52.8925 44.7300 175.1958 21 N 5.4221 8.7755 118.1611 51.9552 42.6339 173.8506 22 C 5.2325 8.5064 119.7175 55.8515 43.3249 172.8780 23 T 5.3659 8.8468 120.6455 62.1519 72.5263 172.5426 24 Y 5.3476 8.3626 122.7753 55.5275 41.3822 175.9920 25 S 4.4628 8.6387 113.3611 59.7457 65.2378 174.1258 26 D 4.4807 8.2446 120.9874 53.5362 40.6122 176.2532 27 R 4.0673 8.8190 128.4025 59.2525 30.1782 177.2606 28 G 3.9783 8.3554 104.6828 45.4988 0.0000 173.9154 29 S 4.1536 8.0174 116.9879 58.9174 63.1781 174.0101 30 Q 4.4480 8.5404 123.4419 56.0926 30.9655 176.1861 31 S 4.5098 7.1584 113.8174 56.3303 66.3383 173.4299 32 F 4.7498 7.7524 121.0638 55.6581 43.0887 173.9541 33 F 5.6173 8.8945 120.4442 55.8145 44.2499 173.5805 34 W 5.6678 9.1786 118.7731 55.6120 33.0404 174.3320 35 Y 5.1459 9.8064 122.1824 56.1254 41.3579 174.5304 36 R 4.2361 9.2159 122.2420 54.3387 33.2632 173.9563 37 Q 4.6520 8.5613 127.6280 54.4122 31.7971 173.6569 38 Y 4.8746 8.4616 124.8481 56.9972 39.6512 175.0438 39 S 4.0119 8.8765 117.3386 59.9670 62.7172 174.2945 40 G 3.9076 9.0493 114.6501 45.9165 0.0000 172.2624 41 K 4.7161 8.0494 118.2794 54.1273 35.8990 175.5323 42 S 4.6280 8.2459 113.7874 56.4071 64.4345 172.2502 43 P 4.3368 0.0000 0.0000 63.0448 31.8384 175.1361 44 E 4.7948 9.1928 125.7427 53.9643 32.1931 174.7772 45 L 3.9251 8.6937 129.4699 55.1201 42.2965 176.2600 46 I 4.7298 8.5048 117.3431 60.8987 39.6369 175.3137 47 M 4.9580 7.7459 121.0980 54.3132 36.5639 173.8449 48 S 5.3110 8.6122 117.5784 57.0129 67.0967 173.4315 49 I 4.3018 8.7610 124.7444 59.8506 40.1396 175.5835 50 Y 4.9312 8.4779 123.0267 57.8355 39.2442 175.6941 51 S 4.8185 7.7427 115.1436 56.3101 66.7756 173.0583 52 N 4.5930 8.7987 121.2004 52.1848 38.1959 175.0376 53 G 3.8370 7.2678 111.4327 45.9701 0.0000 170.0563 54 D 4.9908 8.7150 121.2463 52.7644 42.3950 176.4342 55 K 4.2316 9.3900 127.3420 54.7189 33.3198 175.2314 56 E 4.6794 8.5240 131.3052 54.3489 28.2119 173.8755 57 D 4.8052 8.0190 119.3410 53.7799 42.1516 175.7104 58 G 3.7290 8.4562 111.4489 43.8939 0.0000 174.1452 *61 R 4.6003 8.5103 122.0467 55.8030 32.2702 175.3234 62 F 5.5897 7.7280 115.6739 57.0138 41.3993 175.2408 63 T 4.8462 8.6217 117.4849 61.7704 72.3044 172.6556 64 A 5.5414 9.1614 128.1375 49.3326 22.0295 174.9311 65 Q 5.1949 8.6837 120.2584 53.9686 32.4279 174.3642 66 L 4.9727 8.6472 123.3844 53.5268 45.6822 174.6378 67 N 5.0062 9.2673 125.5857 51.3900 39.7191 174.7272 68 K 3.9683 8.7046 124.5586 59.1707 32.7069 179.2608 69 A 3.9493 8.2305 119.8131 55.1589 18.1478 178.2499 70 S 4.3927 8.2602 108.3750 57.7915 64.1737 173.9885 71 Q 3.0249 7.9875 119.4983 55.8518 26.4663 172.5972 72 Y 5.2873 8.2590 117.7151 55.8614 42.9765 174.9722 73 V 4.8768 8.7112 125.3383 61.3122 35.4993 174.2494 74 S 5.2614 8.9460 120.4604 57.1044 68.1463 173.0009 75 L 4.5036 8.1470 122.6195 53.8927 45.5423 174.1873 76 L 4.9270 8.8482 127.0858 53.0334 44.5684 175.7017 77 I 4.4327 8.9009 126.9090 59.9408 38.1392 175.7700 78 R 4.2218 8.5751 128.2266 55.2067 31.0395 175.6448 79 D 4.2568 8.3822 119.4508 55.0382 39.3876 173.8898 80 S 4.3878 8.0817 116.7408 59.0391 64.0042 174.3118 81 Q 4.9190 8.9639 124.1587 53.3503 31.0467 175.2391 82 P 4.5819 0.0000 0.0000 64.5653 31.5959 178.7924 83 S 4.3375 8.0312 111.8498 60.6685 63.1650 175.1486 84 D 4.6365 8.1974 120.6849 56.5169 40.6964 176.2382 85 S 4.7766 8.1633 114.3731 59.1637 62.8227 173.0585 86 A 4.4909 8.2365 125.6597 51.8009 22.7138 173.8412 87 T 5.0098 8.2271 113.6625 60.8193 69.6917 172.6568 88 Y 5.0097 9.1543 126.8966 56.8217 40.0818 174.3829 89 L 5.0999 9.1977 124.5442 53.1880 44.6321 174.5260 90 C 4.5580 8.6982 123.3620 54.9884 43.9157 172.0106 91 A 5.5611 8.4051 126.3745 49.3318 22.7366 174.8954 92 V 4.6359 7.7872 118.4513 61.6862 35.4665 173.5930 93 T 4.7565 8.3112 116.1647 60.8204 72.3645 174.7221 *98 T 4.2376 8.5719 111.4319 61.1557 70.5799 173.0903 99 D 4.7575 7.3489 119.5322 50.9711 42.4997 175.4910 100 S 4.2930 8.6086 112.3913 60.2546 63.0805 174.6818 101 W 4.8896 8.0968 118.9757 56.3008 29.7764 176.2193 102 G 3.8830 7.7931 108.0601 45.0092 0.0000 173.4176 103 K 4.3387 8.2093 119.3120 55.2313 33.1208 177.0726 104 L 4.1936 8.2751 123.3617 54.6852 42.6682 176.3786 105 Q 4.4373 8.2412 120.7872 54.1994 32.2088 174.8593 106 F 5.8379 8.5002 122.0510 55.3568 41.7546 175.3476 107 G 4.1090 8.4658 107.4103 44.8018 0.0000 174.8318 108 A 3.8787 8.6306 122.4701 53.4616 18.6013 178.9635 109 G 4.0225 7.8779 102.5293 45.9831 0.0000 172.6543 110 T 4.6493 8.8135 116.9739 59.9606 70.2415 172.5043 111 Q 4.6042 8.3733 130.5179 55.6425 30.6801 174.3672 112 V 4.8722 8.8402 126.3459 61.1922 34.5871 174.4734 113 V 4.4147 8.8168 120.8280 59.7450 34.7915 175.2083 114 V 4.6503 8.7032 127.8296 61.5934 32.0206 174.6870 115 T 4.3293 8.7625 124.1720 61.1767 68.4218 171.7350 116 P 4.9579 0.0000 0.0000 62.1029 32.9801 175.9274 117 D 4.4537 8.7367 122.0964 54.4047 39.9851 175.7300 118 I 4.3391 8.0197 118.0676 59.5383 39.0898 175.9542 119 Q 4.3279 8.4305 121.5520 55.9715 29.0623 175.9153 120 N 4.5550 7.0596 110.3044 52.0875 40.7385 172.6522 121 P 4.5216 0.0000 0.0000 62.5288 31.5157 175.4563 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 K 8.31 4.41 0.00 1.81 1.87 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.59 7.81 2 E 8.93 4.64 0.00 2.11 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 2.23 2.40 0.00 3 V 9.19 4.96 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 0.88 0.00 0.00 1.00 0.00 0.00 4 E 9.56 4.76 0.00 1.92 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 2.26 2.28 0.00 5 Q 8.46 4.48 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.65 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 6 N 8.54 3.22 0.00 2.82 2.70 0.00 0.00 6.99 8.97 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 7 S 8.15 4.53 0.00 3.99 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 8 G 8.25 4.36 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 0.00 9 P 0.00 4.97 0.00 2.12 2.10 0.00 3.76 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 10 L 9.48 4.61 0.00 1.75 1.74 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.65 5.29 0.00 3.80 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 12 V 8.65 4.69 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 0.79 0.00 0.00 0.93 0.00 0.00 13 P 0.00 4.86 0.00 2.12 2.18 0.00 3.70 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 2.07 1.96 0.00 14 E 8.99 4.19 0.00 2.08 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 2.33 2.40 0.00 15 G 9.00 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 16 A 7.98 4.43 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 17 I 8.18 4.77 1.85 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 1.26 0.90 0.88 0.00 0.00 18 A 8.66 4.78 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 19 S 8.64 4.99 0.00 3.79 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 20 L 8.90 4.84 0.00 0.94 1.53 0.28 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.78 5.42 0.00 2.92 2.73 0.00 0.00 6.42 7.66 0.00 0.00 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 C 8.51 5.23 0.00 2.84 2.85 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 23 T 8.85 5.37 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 1.22 0.00 0.00 24 Y 8.36 5.35 0.00 3.06 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 25 S 8.64 4.46 0.00 3.94 4.03 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 26 D 8.24 4.48 0.00 2.77 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 27 R 8.82 4.07 0.00 1.98 2.01 0.00 3.31 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 28 G 8.36 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 29 S 8.02 4.15 0.00 3.74 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 30 Q 8.54 4.45 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.61 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 31 S 7.16 4.51 0.00 3.38 3.60 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 32 F 7.75 4.75 0.00 2.62 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 33 F 8.89 5.62 0.00 2.97 2.82 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 0.00 0.00 0.00 0.00 34 W 9.18 5.67 0.00 3.20 2.96 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 35 Y 9.81 5.15 0.00 3.10 2.85 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 36 R 9.22 4.24 0.00 1.47 1.47 0.00 2.51 0.00 0.00 2.98 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.50 0.00 37 Q 8.56 4.65 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.74 0.00 0.00 0.00 0.00 0.00 2.19 2.33 0.00 38 Y 8.46 4.87 0.00 2.96 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 39 S 8.88 4.01 0.00 3.87 3.86 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 0.00 0.00 0.00 40 G 9.05 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 0.00 0.00 0.00 41 K 8.05 4.72 0.00 1.96 1.78 0.00 1.89 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.64 7.81 42 S 8.25 4.63 0.00 3.95 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 43 P 0.00 4.34 0.00 1.73 1.85 0.00 3.52 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.09 0.00 44 E 9.19 4.79 0.00 2.04 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 0.00 2.23 2.26 0.00 45 L 8.69 3.93 0.00 1.33 1.43 0.28 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.50 4.73 1.88 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.88 1.00 0.00 0.00 47 M 7.75 4.96 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.53 0.00 48 S 8.61 5.31 0.00 3.65 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 49 I 8.76 4.30 1.88 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.97 0.92 0.00 0.00 50 Y 8.48 4.93 0.00 2.99 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 51 S 7.74 4.82 0.00 3.84 3.76 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 52 N 8.80 4.59 0.00 2.91 2.84 0.00 0.00 5.92 7.00 0.00 0.00 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 G 7.27 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 0.00 0.00 0.00 54 D 8.71 4.99 0.00 2.54 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 55 K 9.39 4.23 0.00 1.76 1.68 0.00 1.62 0.00 0.00 1.72 0.00 0.00 2.74 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.35 7.81 56 E 8.52 4.68 0.00 1.99 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 2.18 2.27 0.00 57 D 8.02 4.81 0.00 2.81 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 8.46 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 0.00 0.00 0.00 *61 R 8.51 4.60 0.00 1.62 1.50 0.00 3.34 0.00 0.00 3.25 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.40 0.00 62 F 7.73 5.59 0.00 2.94 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 63 T 8.62 4.85 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 1.20 0.00 0.00 64 A 9.16 5.54 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 65 Q 8.68 5.19 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.33 0.00 66 L 8.65 4.97 0.00 1.59 1.38 0.07 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 67 N 9.27 5.01 0.00 2.83 2.75 0.00 0.00 6.79 6.76 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 68 K 8.70 3.97 0.00 1.90 1.92 0.00 1.80 0.00 0.00 1.89 0.00 0.00 3.21 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.72 1.54 7.81 69 A 8.23 3.95 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 70 S 8.26 4.39 0.00 3.82 3.81 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 71 Q 7.99 3.02 0.00 1.80 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.76 0.00 0.00 0.00 0.00 0.00 1.90 2.17 0.00 72 Y 8.26 5.29 0.00 2.89 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 73 V 8.71 4.88 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 0.99 0.00 0.00 0.79 0.00 0.00 74 S 8.95 5.26 0.00 3.78 3.63 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 75 L 8.15 4.50 0.00 0.27 0.13 0.31 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.85 4.93 0.00 1.49 1.49 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 77 I 8.90 4.43 1.83 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 1.12 0.48 1.09 0.00 0.00 78 R 8.58 4.22 0.00 1.83 1.95 0.00 3.38 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 79 D 8.38 4.26 0.00 2.70 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 80 S 8.08 4.39 0.00 4.00 3.81 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 81 Q 8.96 4.92 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 82 P 0.00 4.58 0.00 2.20 2.21 0.00 3.89 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.06 0.00 83 S 8.03 4.34 0.00 4.04 4.03 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 84 D 8.20 4.64 0.00 2.95 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 85 S 8.16 4.78 0.00 4.01 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 86 A 8.24 4.49 0.76 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 0.00 0.00 87 T 8.23 5.01 4.28 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 1.23 0.00 0.00 88 Y 9.15 5.01 0.00 3.13 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 89 L 9.20 5.10 0.00 1.80 1.76 0.96 0.74 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 90 C 8.70 4.56 0.00 1.99 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 91 A 8.41 5.56 1.16 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 0.00 0.00 92 V 7.79 4.64 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 0.47 0.00 0.00 0.86 0.00 0.00 93 T 8.31 4.76 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 1.30 0.00 0.00 *98 T 8.57 4.24 4.21 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 0.00 0.00 0.00 1.21 0.00 0.00 99 D 7.35 4.76 0.00 2.73 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 0.00 100 S 8.61 4.29 0.00 4.00 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 0.00 101 W 8.10 4.89 0.00 3.50 3.15 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 0.00 102 G 7.79 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 0.00 0.00 0.00 103 K 8.21 4.34 0.00 1.75 1.74 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.45 7.81 104 L 8.28 4.19 0.00 1.48 1.17 0.82 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 0.00 105 Q 8.24 4.44 0.00 1.85 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.66 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 106 F 8.50 5.84 0.00 2.82 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 0.00 107 G 8.47 4.11 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 0.00 108 A 8.63 3.88 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 0.00 109 G 7.88 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 0.00 110 T 8.81 4.65 4.36 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 1.49 0.00 0.00 111 Q 8.37 4.60 0.00 2.33 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 112 V 8.84 4.87 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 0.95 0.00 0.00 0.91 0.00 0.00 113 V 8.82 4.41 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 0.71 0.00 0.00 0.96 0.00 0.00 114 V 8.70 4.65 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 0.99 0.00 0.00 0.99 0.00 0.00 115 T 8.76 4.33 4.26 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 1.27 0.00 0.00 116 P 0.00 4.96 0.00 2.12 2.04 0.00 3.83 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 2.00 0.00 117 D 8.74 4.45 0.00 2.71 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 0.00 118 I 8.02 4.34 1.87 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 1.42 0.59 0.96 0.00 0.00 119 Q 8.43 4.33 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.33 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 120 N 7.06 4.55 0.00 2.65 2.71 0.00 0.00 6.78 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 0.00 121 P 0.00 4.52 0.00 2.13 1.97 0.00 3.80 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 1.86 1.91 0.00 * Residues marked with a * may have inaccurate shift predictions.