NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 T 4.3331 8.2745 112.9183 61.1665 70.6628 174.7543 10 K 4.4943 8.4470 121.5913 53.6402 33.0944 176.2922 *11 F 4.0127 7.9779 120.9529 58.1760 41.3831 180.1522 12 R 3.7103 8.7908 122.8003 57.7832 27.8608 179.2345 13 I 3.0244 7.9399 110.5944 66.6099 31.1785 174.7361 14 S 3.9015 7.3003 118.9291 57.6548 61.9649 176.8987 15 L 4.5556 8.3966 126.9685 53.5261 41.4520 172.8616 16 G 4.1989 8.7340 109.8926 47.0183 0.0000 174.9411 17 L 4.1886 7.7907 123.5775 53.2537 39.1562 177.7355 18 P 4.6408 0.0000 0.0000 62.0838 30.7301 176.0297 19 V 3.8325 7.5766 123.9285 62.1284 29.4595 172.1289 20 G 4.0281 7.0395 124.6364 44.8105 0.0000 170.7506 21 A 4.6932 7.3980 126.4183 50.9379 21.3115 176.8539 22 I 4.6082 8.4439 124.3609 60.0653 37.0797 174.0594 23 M 4.5600 8.8609 131.4223 52.2356 32.5548 172.2472 24 N 4.2580 8.8141 126.0942 53.8073 38.6189 171.8860 25 C 5.2801 8.8708 121.5445 52.8792 41.0245 170.5629 26 A 4.5180 8.3736 123.5726 51.6363 20.3792 177.4264 27 D 4.8463 8.1768 118.9037 53.7555 37.5491 181.4890 28 N 4.7697 8.1502 125.7283 53.1243 35.3784 176.0538 29 S 4.7226 8.7436 116.3887 57.1104 65.0097 174.7599 30 G 3.4111 8.7098 109.9137 46.3966 0.0000 171.9452 31 A 4.0062 7.9607 127.0665 52.5834 17.7758 177.6620 32 R 4.1087 8.5448 122.0531 59.9829 30.2226 176.6236 33 N 5.1804 7.9054 118.9155 51.8341 42.1368 176.3843 34 L 4.9002 8.5692 127.9904 53.8514 43.7373 174.1241 *35 Y 4.8152 8.7142 123.2386 55.9911 39.1611 176.0304 36 I 4.0720 8.4965 128.8751 60.7168 35.8674 174.4979 37 I 4.4396 9.1095 128.3257 61.2679 37.1100 171.6060 38 A 4.5959 7.6498 123.2931 52.1737 23.1569 175.8579 39 V 4.2294 7.7255 119.0069 62.5158 35.3225 175.2280 40 K 4.0822 8.2088 121.8247 52.7648 33.1446 174.5138 41 G 4.0951 8.2633 109.6078 44.9753 0.0000 173.2941 42 S 4.3290 7.7705 114.7034 58.2262 64.0786 177.9320 43 G 4.1103 7.9844 114.1042 46.4819 0.0000 177.0600 44 S 4.6088 8.4646 121.8730 58.7550 64.9312 175.0171 45 R 4.6200 7.7487 124.7896 54.8468 32.6587 174.0654 46 L 4.4288 8.7673 122.6500 54.1685 40.0537 178.7135 47 N 4.8688 9.7747 126.2306 53.8220 41.1268 178.9191 48 R 4.0975 8.0167 119.1985 56.6742 27.8347 179.6756 49 L 4.0725 8.4538 128.2495 54.3853 41.6281 174.3381 50 P 4.2668 0.0000 0.0000 63.0488 31.5775 172.4747 51 A 5.5748 8.4341 127.1572 49.2380 22.3706 174.5607 52 A 4.5727 8.7692 119.3741 51.3208 22.0179 176.4122 53 S 4.8427 8.5938 121.1037 56.8562 64.4344 173.5644 54 L 4.3000 8.4904 126.0998 52.2756 39.1561 176.9931 55 G 4.1601 7.7817 120.9659 46.4560 0.0000 171.0035 56 D 4.9608 7.4466 135.0000 54.3858 43.2634 175.6283 57 M 5.4499 8.0139 125.5946 53.8009 30.5823 173.5623 58 V 3.9174 8.0019 125.3217 62.2092 33.3405 175.8577 59 M 4.4450 8.7163 126.5507 53.8047 32.5934 171.8954 60 A 5.1656 9.3899 127.1995 50.3965 23.7038 175.2774 61 T 5.0711 8.4579 115.0468 59.7685 71.2969 175.5177 62 V 4.1363 8.3938 125.4104 61.9662 32.3268 176.7483 63 K 4.3618 8.9999 131.3841 56.7627 31.9735 176.5389 64 K 4.6722 7.5352 119.0556 53.4336 37.6848 180.5739 65 G 3.7808 9.4554 113.1126 48.0959 0.0000 176.5582 66 K 4.1487 9.2513 125.4232 54.0600 30.7965 177.8424 67 P 4.1703 0.0000 0.0000 65.7793 31.0458 179.6064 68 E 4.3384 8.2962 113.9193 57.9807 29.7861 180.5158 69 L 4.6972 8.3386 118.3012 55.4621 43.8052 183.5710 70 R 4.1770 7.5794 116.2809 58.5994 29.8828 182.9754 71 K 3.9634 8.8985 117.5209 57.5123 29.0943 170.7190 72 K 4.8635 7.7245 122.5492 55.4468 36.9825 178.6826 73 V 4.7039 8.4676 119.5364 61.8390 33.8374 174.8817 74 M 4.9089 9.6999 129.1553 52.0508 35.7036 170.4690 75 P 4.8094 0.0000 0.0000 62.5893 31.5695 175.6051 76 A 4.9327 8.5853 128.2038 49.8530 22.3455 175.9667 77 I 4.6407 8.7270 123.6653 60.1015 38.0933 174.3145 78 V 4.7197 7.6045 119.2477 61.0134 34.8841 178.0658 79 V 4.4146 7.2828 118.6734 59.7335 31.8144 177.6555 80 R 5.1079 7.5811 123.2563 57.1669 32.4440 179.0770 81 Q 4.7087 8.1516 127.6933 52.9907 27.8456 178.1892 82 A 5.4406 8.6311 133.6183 55.3609 16.9676 178.7823 83 K 4.2106 7.5826 119.4202 54.5552 32.6117 180.1333 84 S 4.6119 8.5465 121.5739 56.6964 61.9113 173.0997 *85 W 3.7709 8.0287 130.7042 54.7626 28.3692 171.6450 86 R 4.1603 8.2093 129.9626 58.3076 25.9870 177.9577 87 R 4.7938 7.8025 124.5354 53.6350 33.2031 176.1444 88 R 3.4013 8.6920 115.2064 61.7425 29.5370 175.1015 89 D 4.4286 8.0944 114.5337 57.8870 40.1481 179.1612 90 G 3.5564 9.4725 106.8611 45.4521 0.0000 171.5340 91 V 3.1019 8.7052 122.5408 61.2420 29.9069 168.3808 *92 F 4.5239 8.6216 125.6929 55.5469 38.5480 172.3622 93 L 4.8289 8.3411 126.7439 52.4307 43.9548 176.0107 *94 Y 4.4765 8.1670 123.4268 55.8201 36.4066 174.4559 *95 F 4.1592 9.6761 116.4761 58.4618 36.6187 175.1107 96 E 4.0301 8.1137 120.6670 57.8249 31.2443 179.6221 97 D 4.6874 8.9888 129.3407 52.5561 41.1705 177.1204 98 N 5.6461 9.6125 124.3541 54.9882 36.4483 173.0029 99 A 5.6587 8.1063 133.9806 49.6086 19.8386 175.2393 100 G 4.2939 8.2036 107.4252 46.0449 0.0000 172.4554 101 V 4.3529 7.7732 120.9802 59.7885 34.2566 178.1013 102 I 4.6384 7.8374 119.1681 58.9681 34.9983 177.1893 103 A 4.3416 7.5716 131.6901 52.7326 19.3546 175.4524 104 N 5.1879 7.9875 114.3562 50.8611 40.6362 169.2577 105 P 4.4988 0.0000 0.0000 65.6999 31.1599 173.7351 106 K 3.9443 8.1995 122.7911 57.9086 32.0847 178.7888 107 G 3.5364 8.6120 107.3874 44.7515 0.0000 174.4076 108 E 4.0112 8.3176 120.5584 56.9316 30.4826 183.2744 109 M 4.6134 8.3912 124.5328 54.1614 33.1361 174.7084 110 K 4.2717 8.4396 116.7746 56.2626 31.7194 173.1777 111 G 4.4078 8.1358 113.9786 46.5207 0.0000 178.2637 112 S 4.1919 7.6683 110.5636 58.4400 61.8496 179.7045 113 A 4.5068 8.6309 115.9434 52.4337 21.6457 177.3761 114 I 3.6832 8.4345 123.1757 62.0109 36.0777 177.0780 115 T 4.2070 8.1571 122.6131 62.2129 68.8064 171.5396 116 G 3.7706 8.9885 116.4262 42.9144 0.0000 170.3414 117 P 4.5190 0.0000 0.0000 64.1929 30.9435 173.1719 118 V 4.5086 9.2169 123.8908 58.4628 35.7026 172.0342 119 G 4.1148 8.6943 113.9841 45.4537 0.0000 175.3971 120 K 4.4152 8.9443 129.4116 58.6093 31.6026 178.5183 121 E 4.4292 8.2791 121.4798 62.6915 30.0891 183.7882 122 C 4.4412 8.1914 119.2093 59.4735 39.6831 178.0535 123 A 4.2267 7.8994 122.2243 57.0284 18.3916 179.1867 124 D 4.3854 7.9813 120.6348 58.8450 39.7587 180.7301 125 L 3.8733 8.1693 123.0563 56.9546 41.3734 180.6604 *126 W 4.5231 8.4344 129.3535 54.1124 28.5889 177.9988 127 P 4.3900 0.0000 0.0000 64.7039 30.7572 176.5368 128 R 4.0494 8.4222 118.5547 60.3030 28.9938 181.1015 129 V 3.9527 7.2851 110.7760 60.9120 31.2527 178.9414 130 A 4.0831 8.8569 127.3624 54.9796 19.0664 181.5700 131 S 3.6040 7.8423 106.0620 62.1821 63.2186 178.5850 132 N 4.4333 9.0063 123.4096 55.5861 38.2667 180.1291 133 S 4.0881 8.1771 113.6582 61.4733 62.7137 182.7620 134 G 3.9766 8.3443 109.6060 48.2852 0.0000 175.0159 135 V 4.0622 10.8463 113.3741 62.2050 33.6401 181.6733 136 V 4.3185 8.8267 125.7742 61.8885 33.5441 175.2061 137 V 5.1717 8.2436 124.2507 59.9239 31.5647 172.3813 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 9 T 8.27 4.33 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 10 K 8.45 4.49 0.00 1.80 1.60 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.27 1.07 7.81 *11 F 7.98 4.01 0.00 2.29 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 0.00 0.00 0.00 0.00 12 R 8.79 3.71 0.00 1.99 1.12 0.00 3.30 0.00 0.00 3.26 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.00 13 I 7.94 3.02 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 1.27 0.97 0.91 0.00 0.00 14 S 7.30 3.90 0.00 3.64 3.66 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 15 L 8.40 4.56 0.00 1.66 1.48 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.73 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 0.00 0.00 0.00 0.00 17 L 7.79 4.19 0.00 1.59 1.60 0.92 0.98 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 18 P 0.00 4.64 0.00 1.99 1.99 0.00 3.73 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 2.02 1.58 0.00 19 V 7.58 3.83 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 0.84 0.00 0.00 0.93 0.00 0.00 20 G 7.04 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 0.00 0.00 0.00 21 A 7.40 4.69 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 22 I 8.44 4.61 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 1.20 0.80 0.91 0.00 0.00 23 M 8.86 4.56 0.00 1.70 2.01 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.19 0.00 24 N 8.81 4.26 0.00 2.40 2.78 0.00 0.00 6.78 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 25 C 8.87 5.28 0.00 2.46 2.86 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 26 A 8.37 4.52 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 27 D 8.18 4.85 0.00 2.71 2.51 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 0.00 28 N 8.15 4.77 0.00 2.73 2.69 0.00 0.00 6.69 7.64 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 29 S 8.74 4.72 0.00 3.59 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 30 G 8.71 3.41 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 0.00 31 A 7.96 4.01 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 32 R 8.54 4.11 0.00 1.84 1.86 0.00 3.24 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 33 N 7.91 5.18 0.00 2.35 2.63 0.00 0.00 6.94 6.67 0.00 0.00 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 L 8.57 4.90 0.00 1.28 1.56 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 *35 Y 8.71 4.82 0.00 1.95 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 0.00 0.00 0.00 0.00 36 I 8.50 4.07 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 1.09 0.54 0.91 0.00 0.00 37 I 9.11 4.44 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 1.16 1.15 0.91 0.00 0.00 38 A 7.65 4.60 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 39 V 7.73 4.23 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 0.75 0.00 0.00 0.93 0.00 0.00 40 K 8.21 4.08 0.00 1.53 1.58 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.77 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.37 1.32 7.81 41 G 8.26 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 42 S 7.77 4.33 0.00 3.68 3.72 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 43 G 7.98 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 44 S 8.46 4.61 0.00 3.59 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 45 R 7.75 4.62 0.00 1.67 1.74 0.00 3.23 0.00 0.00 3.37 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.13 0.00 46 L 8.77 4.43 0.00 1.66 1.59 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 47 N 9.77 4.87 0.00 2.75 2.71 0.00 0.00 6.76 7.54 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 48 R 8.02 4.10 0.00 1.82 1.80 0.00 3.27 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 49 L 8.45 4.07 0.00 1.42 1.58 0.92 0.88 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 50 P 0.00 4.27 0.00 1.75 2.00 0.00 3.64 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 2.03 1.63 0.00 51 A 8.43 5.57 1.21 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 0.00 0.00 0.00 52 A 8.77 4.57 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.59 4.84 0.00 3.64 3.65 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 54 L 8.49 4.30 0.00 1.66 1.56 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.78 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 0.00 0.00 0.00 56 D 7.45 4.96 0.00 2.45 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 57 M 8.01 5.45 0.00 1.70 2.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 1.95 0.00 58 V 8.00 3.92 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 0.65 0.00 0.00 0.93 0.00 0.00 59 M 8.72 4.45 0.00 1.75 1.97 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.37 0.00 60 A 9.39 5.17 1.23 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 0.00 0.00 61 T 8.46 5.07 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 62 V 8.39 4.14 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 0.84 0.00 0.00 0.93 0.00 0.00 63 K 9.00 4.36 0.00 1.54 1.72 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.34 1.25 7.81 64 K 7.54 4.67 0.00 1.70 1.55 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.25 0.99 7.81 65 G 9.46 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 66 K 9.25 4.15 0.00 1.69 1.77 0.00 1.83 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.03 7.81 67 P 0.00 4.17 0.00 1.98 2.12 0.00 3.70 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 2.04 1.63 0.00 68 E 8.30 4.34 0.00 1.98 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 2.23 1.87 0.00 69 L 8.34 4.70 0.00 1.58 1.55 0.92 1.05 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 70 R 7.58 4.18 0.00 1.78 1.89 0.00 3.38 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.45 0.00 71 K 8.90 3.96 0.00 1.89 1.74 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 0.98 7.81 72 K 7.72 4.86 0.00 1.49 1.64 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.26 1.26 7.81 73 V 8.47 4.70 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 0.88 0.00 0.00 0.93 0.00 0.00 74 M 9.70 4.91 0.00 1.54 1.90 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 75 P 0.00 4.81 0.00 1.85 1.89 0.00 3.65 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 1.94 1.60 0.00 76 A 8.59 4.93 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 77 I 8.73 4.64 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 1.09 0.76 0.91 0.00 0.00 78 V 7.60 4.72 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 0.84 0.00 0.00 0.93 0.00 0.00 79 V 7.28 4.41 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 0.80 0.00 0.00 0.93 0.00 0.00 80 R 7.58 5.11 0.00 1.72 1.84 0.00 3.22 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.97 0.00 81 Q 8.15 4.71 0.00 2.06 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.26 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 82 A 8.63 5.44 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 83 K 7.58 4.21 0.00 1.79 1.60 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.35 1.00 7.81 84 S 8.55 4.61 0.00 3.62 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 *85 W 8.03 3.77 0.00 2.51 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 0.00 0.00 0.00 86 R 8.21 4.16 0.00 1.95 2.10 0.00 3.07 0.00 0.00 3.92 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.12 0.00 87 R 7.80 4.79 0.00 1.69 1.82 0.00 3.26 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.14 0.00 88 R 8.69 3.40 0.00 1.82 1.91 0.00 3.23 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.25 0.00 89 D 8.09 4.43 0.00 2.69 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 90 G 9.47 3.56 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 0.00 0.00 0.00 0.00 91 V 8.71 3.10 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 0.69 0.00 0.00 0.93 0.00 0.00 *92 F 8.62 4.52 0.00 2.29 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 0.00 0.00 0.00 93 L 8.34 4.83 0.00 1.52 1.55 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 *94 Y 8.17 4.48 0.00 2.32 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 *95 F 9.68 4.16 0.00 2.36 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 96 E 8.11 4.03 0.00 1.97 1.85 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 2.25 1.92 0.00 97 D 8.99 4.69 0.00 2.74 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 0.00 0.00 0.00 0.00 98 N 9.61 5.65 0.00 2.70 3.18 0.00 0.00 6.99 7.65 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 99 A 8.11 5.66 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 0.00 0.00 0.00 0.00 0.00 100 G 8.20 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 0.00 0.00 0.00 0.00 101 V 7.77 4.35 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 0.72 0.00 0.00 0.93 0.00 0.00 102 I 7.84 4.64 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 1.35 1.18 0.91 0.00 0.00 103 A 7.57 4.34 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 0.00 104 N 7.99 5.19 0.00 2.57 2.70 0.00 0.00 7.58 8.23 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 0.00 105 P 0.00 4.50 0.00 2.08 1.82 0.00 3.75 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 1.94 1.58 0.00 106 K 8.20 3.94 0.00 1.76 1.80 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.05 7.81 107 G 8.61 3.54 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 0.00 108 E 8.32 4.01 0.00 1.91 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 2.32 1.89 0.00 109 M 8.39 4.61 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.10 0.00 110 K 8.44 4.27 0.00 1.77 1.73 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 1.00 7.81 111 G 8.14 4.41 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 0.00 112 S 7.67 4.19 0.00 3.64 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 0.00 113 A 8.63 4.51 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 0.00 114 I 8.43 3.68 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 1.09 0.73 0.91 0.00 0.00 115 T 8.16 4.21 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 0.00 116 G 8.99 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 0.00 117 P 0.00 4.52 0.00 1.87 1.89 0.00 3.69 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 1.95 1.62 0.00 118 V 9.22 4.51 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 0.68 0.00 0.00 0.93 0.00 0.00 119 G 8.69 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 0.00 120 K 8.94 4.42 0.00 1.77 1.82 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.07 7.81 121 E 8.28 4.43 0.00 1.99 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 2.22 2.18 0.00 122 C 8.19 4.44 0.00 2.83 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 0.00 123 A 7.90 4.23 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 0.00 124 D 7.98 4.39 0.00 2.77 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.17 3.87 0.00 1.65 1.58 0.92 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 *126 W 8.43 4.52 0.00 2.41 2.21 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 0.00 127 P 0.00 4.39 0.00 1.99 2.08 0.00 3.73 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 2.02 1.59 0.00 128 R 8.42 4.05 0.00 1.82 1.92 0.00 3.23 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.24 0.00 129 V 7.29 3.95 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 0.85 0.00 0.00 0.93 0.00 0.00 130 A 8.86 4.08 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 0.00 131 S 7.84 3.60 0.00 3.67 3.68 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 0.00 132 N 9.01 4.43 0.00 2.64 2.87 0.00 0.00 6.70 7.15 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 0.00 133 S 8.18 4.09 0.00 3.66 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 0.00 134 G 8.34 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 0.00 135 V 10.85 4.06 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 0.67 0.00 0.00 0.93 0.00 0.00 136 V 8.83 4.32 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 0.68 0.00 0.00 0.93 0.00 0.00 137 V 8.24 5.17 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 1.00 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.