NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 P 4.2351 0.0000 0.0000 61.8066 31.6235 175.5196 7 P 3.7738 0.0000 0.0000 63.4411 31.8981 173.9316 8 Y 4.8267 6.6402 118.1504 54.4952 42.1654 175.2074 9 D 4.4702 8.5715 121.1422 54.0373 42.5883 177.7063 10 V 3.9325 8.5988 127.2458 64.9405 31.3787 178.6128 11 K 4.0409 8.2476 118.9005 59.3746 31.8136 179.1417 12 E 4.0205 8.1583 118.2057 59.3017 29.4222 178.7942 13 A 4.0471 8.3119 120.9929 55.2139 18.2821 179.5014 14 L 3.8832 8.0160 118.5575 58.2635 42.1607 179.1804 15 V 3.5922 7.8512 118.1655 66.0213 31.2306 177.5779 16 F 4.1867 8.3708 119.1312 61.7457 39.3345 176.6406 17 T 3.7984 7.9734 114.2874 66.8202 68.6103 176.2461 18 Q 4.1538 8.4174 119.5582 58.6196 28.6530 178.4232 19 K 4.0372 8.0972 119.0551 56.8247 31.8797 178.1056 *21 A 4.1912 7.9124 121.6324 51.8032 20.6672 179.6180 22 Q 3.9513 8.1635 116.2278 59.4428 29.0229 178.5271 23 L 4.0297 8.0330 120.0412 57.8681 41.6296 179.5241 24 S 4.1797 7.9648 112.7030 61.0761 62.3853 175.9806 25 K 4.0707 8.4337 122.4331 59.3271 31.9500 178.5716 26 A 4.0095 8.0880 121.0917 55.1657 18.3683 179.3974 27 L 3.9267 8.3435 119.0735 58.1911 42.2253 178.9737 28 W 4.4670 8.5020 128.3728 60.5294 30.6150 178.0797 29 K 3.7738 8.3847 118.6551 59.1776 31.5248 179.3579 30 S 4.0100 7.8588 113.1385 61.3262 62.2757 176.3030 31 I 3.6452 7.5334 122.3687 64.2887 36.8096 177.7385 32 E 3.4286 7.4553 120.5060 59.1493 29.1188 178.8790 33 K 3.8667 7.7248 119.2349 59.7439 32.4144 178.5584 34 D 4.4284 8.0384 118.8891 56.9664 40.5531 178.5436 35 W 4.6693 8.6475 129.3848 60.5101 30.5016 178.2126 36 Q 4.0362 8.3663 117.7652 58.9697 28.4907 178.5248 37 Q 4.2048 8.1221 118.9518 58.7162 28.5817 178.2293 38 W 4.5600 8.1103 127.9068 60.3936 31.0187 177.0800 39 L 4.3884 7.8252 116.6968 54.7956 41.2975 178.4992 40 K 3.9457 7.8846 120.7939 59.1935 32.0662 176.7629 41 P 4.2967 0.0000 0.0000 64.6147 31.3023 176.8783 42 Y 4.4118 7.9132 113.5130 56.2719 39.6440 174.5623 43 D 4.4029 7.8748 118.7020 55.5043 40.2397 173.0738 44 L 4.9018 7.5870 116.3060 52.4474 44.7270 177.2666 45 N 4.3258 9.4103 121.2358 53.2707 40.7640 175.8172 46 I 2.8355 7.9891 127.1708 64.7004 37.0523 178.3071 47 N 4.1729 7.7661 116.6842 56.1221 38.1678 177.4343 48 E 3.8663 7.4805 119.4143 59.6349 29.6258 178.4603 49 H 4.3038 8.2356 118.2984 59.7260 29.9050 176.6232 50 H 4.4800 8.7493 120.2715 59.4507 29.6982 177.1463 51 I 3.7828 8.1153 121.7819 64.5591 37.0045 178.2466 52 L 3.9705 8.2036 119.7021 57.5975 41.4567 179.4689 53 W 4.0273 8.7304 128.4074 60.5104 30.6313 178.1708 54 I 3.7492 8.2236 119.4920 64.4680 36.6425 178.1948 55 A 3.9509 8.1538 121.6687 55.2637 18.1404 179.1526 56 Y 3.5658 7.8407 117.7989 60.8524 38.6532 177.8237 57 Q 3.8345 8.1656 117.8229 58.9408 28.8542 178.1451 58 L 4.0580 7.8557 114.4432 54.1946 42.4568 175.7737 59 N 3.8506 8.4270 115.9570 54.4544 37.3789 174.6830 60 G 4.1335 9.4409 104.6495 45.8125 0.0000 172.8910 61 A 4.8254 8.7921 123.7955 49.4898 22.6514 176.4675 62 S 4.8482 9.2164 117.3902 57.8147 65.4917 175.8252 63 I 3.8131 8.3778 123.2026 64.5161 36.8388 178.7398 64 S 4.2204 8.0952 114.6373 61.0421 63.0733 176.2487 65 E 3.9131 8.1776 122.0956 59.2735 29.1432 179.2343 66 I 3.7841 8.1032 119.6912 64.2882 37.0681 178.1187 67 A 4.0351 8.3076 121.8766 55.1524 17.9866 179.6098 68 K 3.9266 7.8077 116.3210 59.9092 32.4571 178.8592 69 F 4.6113 8.1786 116.5301 59.4502 39.0442 177.2075 70 G 3.7299 8.2886 103.4884 43.1136 0.0000 173.1698 71 V 3.1754 7.1008 121.6233 63.3604 29.7556 170.8741 *73 H 4.5324 7.8238 121.5630 55.0821 32.2735 173.2895 74 V 3.7188 8.0831 126.4008 64.9100 31.0478 178.6943 75 S 4.1802 8.3349 113.4943 61.6568 62.3103 175.9915 76 T 3.8380 8.0608 117.7472 66.5846 68.2854 176.2421 77 A 4.1480 8.3241 122.6961 55.1332 18.3408 179.4396 78 F 4.0603 8.5600 119.1575 61.5129 39.5622 176.8055 79 N 4.1994 8.6225 116.4975 56.7370 38.3920 177.4718 80 F 4.4415 8.3233 118.8785 60.3496 38.9552 178.1307 81 S 4.1296 8.3117 115.1480 61.3535 62.6402 176.4560 82 K 3.8087 8.0168 122.4527 59.4046 31.8779 178.6720 83 K 3.8684 8.0143 118.5866 59.7747 31.9966 179.2404 84 L 3.9601 8.1051 118.9373 57.6460 41.4361 179.2906 85 E 4.5820 8.3419 120.6962 58.9501 29.5047 178.5183 86 E 4.0733 8.0751 116.2327 58.2174 29.6010 178.4654 87 R 4.0970 7.4753 116.8238 55.9380 30.4006 177.2576 88 G 3.9201 7.8383 106.4561 46.0585 0.0000 173.6700 89 Y 4.9247 8.2789 119.3334 58.3540 39.9970 175.5758 90 L 5.4168 7.9340 117.7594 52.6610 46.5712 175.6252 91 R 4.9608 8.9846 117.0717 54.4451 32.8066 174.3799 92 F 4.7212 8.9539 120.1072 57.3219 40.2569 175.0430 93 S 4.7202 8.9240 118.5698 57.2668 67.8480 172.8261 94 K 5.0699 8.2998 118.3232 55.6183 35.2065 176.5672 95 R 4.0962 8.8832 118.3248 58.7056 30.1455 176.9832 *102 T 4.3636 7.5638 106.9929 61.3490 69.9551 172.0695 103 Y 5.2108 8.6989 121.7612 55.1562 42.0597 174.3080 104 V 4.4851 8.8339 118.9230 59.7876 34.4952 174.5161 105 Q 4.8243 8.5281 123.9754 53.8739 32.6914 174.1075 106 L 4.5329 8.5283 125.8597 55.3325 42.5592 177.2735 107 T 4.2301 8.5522 114.1133 60.8490 70.8507 175.5011 108 E 3.7797 8.8330 120.1578 59.5828 29.2430 179.2819 109 E 3.9245 8.1272 118.7539 59.2146 29.8718 178.6911 110 G 3.3668 8.2452 106.0282 48.1418 0.0000 175.7048 111 T 3.3866 7.7299 117.9739 66.1011 68.2414 176.6257 112 E 3.8349 7.6420 120.4407 59.3773 29.4764 179.6254 113 V 3.4770 7.7297 118.5526 65.7893 31.3480 177.7911 114 F 3.8125 7.9588 120.3989 60.8855 39.1590 177.1995 115 W 4.2298 8.3310 118.8182 59.9048 28.7380 178.4182 116 S 4.2365 8.3906 115.4327 61.9113 62.2038 176.9093 117 L 3.8133 7.5095 121.2518 57.8217 41.0060 179.6995 118 L 4.2435 7.2539 117.8168 57.7885 41.5939 179.0760 119 E 4.1845 8.1872 117.3347 58.3881 29.5324 178.0623 120 E 4.5146 7.8234 117.0211 55.4256 30.2645 176.1103 121 F 3.2743 7.4479 121.9326 58.4783 39.8164 174.0228 122 D 4.0714 7.0345 126.3942 51.1792 42.4905 173.6633 123 P 3.4465 0.0000 0.0000 65.1672 31.2011 178.5699 124 T 3.9673 7.1635 107.7317 63.4115 68.6928 174.9899 125 R 4.3314 7.3795 120.4139 55.8757 30.4970 175.4882 126 N 4.9532 7.8103 117.7451 51.6218 40.8908 175.1679 127 A 4.0338 9.8544 131.2718 55.1497 18.3228 179.7673 128 V 3.6323 7.7466 115.5233 65.9906 31.9238 177.3000 129 F 4.2485 9.1907 120.7946 61.6009 39.2330 177.3950 130 K 4.0410 8.4718 117.9678 59.2321 31.7305 179.5272 131 G 3.8434 9.0358 106.0726 46.5419 0.0000 174.6545 132 S 4.7646 7.3437 115.4572 58.3998 63.3381 175.9540 133 Q 3.8307 7.8485 123.7877 58.7800 28.3433 176.4104 134 P 4.2451 0.0000 0.0000 65.6530 31.3123 178.4066 135 L 4.1164 7.9877 117.0359 58.0767 41.5706 178.7113 136 Y 4.2409 7.8615 120.4745 60.4856 38.4588 177.7638 137 H 4.1354 8.7544 118.0280 59.0687 29.9935 176.7179 138 L 3.7748 8.0192 121.6083 57.5712 42.0442 178.1224 139 F 4.6591 8.1445 114.9147 56.5326 39.9592 177.0341 140 G 3.6042 9.6930 106.7384 44.8988 0.0000 172.9112 141 K 3.9186 6.5254 116.6501 55.0705 35.0104 174.9981 142 F 4.6331 8.5670 118.8702 56.5273 39.5108 173.9165 143 P 4.3902 0.0000 0.0000 62.9003 31.6943 176.6149 144 E 3.9944 8.7158 120.3389 57.8276 29.9499 177.3971 145 V 3.2994 7.7894 110.2259 62.1093 29.2852 174.0928 146 A 4.0687 7.9366 122.4824 55.3019 19.1513 179.3465 147 E 4.2269 7.8005 115.4825 57.0666 27.0908 176.3629 *150 C 4.3389 7.7666 117.5440 59.2283 33.7272 175.1730 *152 I 4.2780 7.7103 120.4552 60.9465 38.8211 177.9697 153 R 4.0492 8.0354 119.3705 59.9072 29.6536 178.1743 154 H 4.2278 8.0545 114.8867 58.5965 28.7589 177.6685 155 I 3.8013 7.7582 120.5694 64.1024 37.2853 177.0510 156 Y 4.2406 8.4495 114.8763 56.5372 37.3057 177.0927 157 G 4.1737 8.0122 105.1606 45.2564 0.0000 174.4643 158 D 4.6312 8.5617 118.6001 57.4743 41.1759 177.9431 159 D 4.6500 8.4694 117.6313 57.7199 40.4594 179.0527 160 F 4.2252 7.7496 119.3891 58.8926 39.4573 176.6349 *162 E 4.3735 8.2561 120.1939 55.7685 31.2994 177.9608 163 I 3.2476 7.1554 117.3573 63.7852 38.2614 177.0536 164 F 4.2395 7.9283 118.7028 60.4885 38.8955 177.3591 165 E 4.5119 7.8487 120.6213 56.7375 29.1293 176.9416 166 T 4.6890 7.8858 109.5278 61.9880 68.8803 174.6125 167 S 4.3800 7.8732 120.4744 58.8602 62.9747 174.9419 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 6 P 0.00 4.24 0.00 2.07 2.05 0.00 3.74 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 1.83 1.95 0.00 7 P 0.00 3.77 0.00 1.96 2.15 0.00 3.41 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.09 0.00 8 Y 6.64 4.83 0.00 3.02 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 9 D 8.57 4.47 0.00 2.79 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 10 V 8.60 3.93 2.24 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 0.84 0.00 0.00 1.04 0.00 0.00 11 K 8.25 4.04 0.00 2.13 1.94 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.51 7.81 12 E 8.16 4.02 0.00 2.27 2.05 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 2.44 2.42 0.00 13 A 8.31 4.05 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 14 L 8.02 3.88 0.00 1.91 1.89 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 15 V 7.85 3.59 2.33 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 1.09 0.00 0.00 1.00 0.00 0.00 16 F 8.37 4.19 0.00 3.00 3.28 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 17 T 7.97 3.80 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 1.18 0.00 0.00 18 Q 8.42 4.15 0.00 2.24 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.07 0.00 0.00 0.00 0.00 0.00 2.65 2.35 0.00 19 K 8.10 4.04 0.00 1.82 2.00 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.35 1.44 7.81 *21 A 7.91 4.19 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 22 Q 8.16 3.95 0.00 2.26 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 23 L 8.03 4.03 0.00 1.72 1.72 0.92 0.67 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 24 S 7.96 4.18 0.00 3.90 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 25 K 8.43 4.07 0.00 2.00 1.84 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.57 7.81 26 A 8.09 4.01 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.34 3.93 0.00 1.88 1.85 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 28 W 8.50 4.47 0.00 3.51 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 29 K 8.38 3.77 0.00 1.85 1.80 0.00 1.71 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.76 1.62 7.81 30 S 7.86 4.01 0.00 3.87 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 31 I 7.53 3.65 1.88 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.55 1.05 0.00 0.00 32 E 7.46 3.43 0.00 1.16 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 33 K 7.72 3.87 0.00 1.91 1.94 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.46 7.81 34 D 8.04 4.43 0.00 2.93 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 35 W 8.65 4.67 0.00 3.52 3.17 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 Q 8.37 4.04 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 37 Q 8.12 4.20 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 38 W 8.11 4.56 0.00 3.44 3.59 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 39 L 7.83 4.39 0.00 1.70 1.77 0.79 0.09 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 40 K 7.88 3.95 0.00 2.16 1.87 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.52 7.81 41 P 0.00 4.30 0.00 1.74 1.94 0.00 4.00 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 42 Y 7.91 4.41 0.00 2.87 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 43 D 7.87 4.40 0.00 2.74 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 44 L 7.59 4.90 0.00 1.63 1.51 0.84 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 45 N 9.41 4.33 0.00 2.74 2.31 0.00 0.00 6.99 7.77 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 46 I 7.99 2.84 1.44 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.06 -0.03 0.00 0.00 47 N 7.77 4.17 0.00 2.02 2.27 0.00 0.00 7.11 7.70 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 48 E 7.48 3.87 0.00 2.10 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 2.45 2.02 0.00 49 H 8.24 4.30 0.00 3.19 3.62 0.00 5.61 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.75 4.48 0.00 3.51 3.46 0.00 5.67 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 51 I 8.12 3.78 2.08 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 1.59 0.62 0.94 0.00 0.00 52 L 8.20 3.97 0.00 2.10 1.78 0.99 0.75 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 53 W 8.73 4.03 0.00 3.82 3.33 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 54 I 8.22 3.75 2.09 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 1.52 0.74 1.01 0.00 0.00 55 A 8.15 3.95 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 56 Y 7.84 3.57 0.00 2.37 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 57 Q 8.17 3.83 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.62 0.00 0.00 0.00 0.00 0.00 2.87 2.67 0.00 58 L 7.86 4.06 0.00 1.70 1.72 0.97 1.03 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 59 N 8.43 3.85 0.00 2.66 2.73 0.00 0.00 7.40 8.42 0.00 0.00 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 G 9.44 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 0.00 0.00 0.00 61 A 8.79 4.83 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 62 S 9.22 4.85 0.00 4.14 4.08 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 63 I 8.38 3.81 2.03 0.00 0.00 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 1.92 1.38 1.12 0.00 0.00 64 S 8.10 4.22 0.00 4.05 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 65 E 8.18 3.91 0.00 2.34 2.34 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 2.43 2.42 0.00 66 I 8.10 3.78 2.09 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 1.52 0.69 0.99 0.00 0.00 67 A 8.31 4.04 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 3.93 0.00 1.70 1.70 0.00 1.47 0.00 0.00 0.61 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.22 1.40 7.81 69 F 8.18 4.61 0.00 3.11 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 70 G 8.29 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 71 V 7.10 3.18 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 0.75 0.00 0.00 1.00 0.00 0.00 *73 H 7.82 4.53 0.00 3.29 3.23 0.00 5.73 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.08 3.72 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 0.71 0.00 0.00 0.99 0.00 0.00 75 S 8.33 4.18 0.00 4.05 3.93 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 76 T 8.06 3.84 4.52 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 1.50 0.00 0.00 77 A 8.32 4.15 1.49 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 0.00 0.00 78 F 8.56 4.06 0.00 3.29 3.29 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 79 N 8.62 4.20 0.00 2.58 2.56 0.00 0.00 7.12 7.85 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 80 F 8.32 4.44 0.00 3.10 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 81 S 8.31 4.13 0.00 4.01 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 82 K 8.02 3.81 0.00 1.51 1.74 0.00 1.25 0.00 0.00 0.89 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.24 1.38 7.81 83 K 8.01 3.87 0.00 2.14 1.92 0.00 1.95 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.47 7.81 84 L 8.11 3.96 0.00 1.92 1.78 1.05 0.87 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 85 E 8.34 4.58 0.00 2.39 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 2.36 2.50 0.00 86 E 8.08 4.07 0.00 2.07 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 2.30 2.54 0.00 87 R 7.48 4.10 0.00 1.49 0.85 0.00 2.95 0.00 0.00 2.32 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.55 0.00 88 G 7.84 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 8.28 4.92 0.00 2.91 2.90 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 90 L 7.93 5.42 0.00 1.53 1.38 0.85 0.75 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 91 R 8.98 4.96 0.00 1.75 1.97 0.00 2.68 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 92 F 8.95 4.72 0.00 2.88 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 93 S 8.92 4.72 0.00 2.72 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 94 K 8.30 5.07 0.00 1.90 1.78 0.00 1.62 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.41 7.81 95 R 8.88 4.10 0.00 1.92 1.97 0.00 2.99 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 *102 T 7.56 4.36 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 1.30 0.00 0.00 103 Y 8.70 5.21 0.00 3.08 3.07 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 0.00 0.00 0.00 104 V 8.83 4.49 1.46 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 0.57 0.00 0.00 -0.07 0.00 0.00 105 Q 8.53 4.82 0.00 1.92 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.02 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 106 L 8.53 4.53 0.00 1.43 1.43 0.55 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.55 4.23 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 1.24 0.00 0.00 108 E 8.83 3.78 0.00 1.99 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 2.34 0.00 109 E 8.13 3.92 0.00 2.07 2.22 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 2.43 2.41 0.00 110 G 8.25 3.37 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 0.00 111 T 7.73 3.39 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 -0.36 0.00 0.00 112 E 7.64 3.83 0.00 2.06 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 2.21 2.41 0.00 113 V 7.73 3.48 1.57 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 0.68 0.00 0.00 0.58 0.00 0.00 114 F 7.96 3.81 0.00 2.97 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 W 8.33 4.23 0.00 3.48 2.98 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 0.00 116 S 8.39 4.24 0.00 4.05 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 0.00 117 L 7.51 3.81 0.00 1.38 1.05 0.10 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 118 L 7.25 4.24 0.00 1.63 1.67 0.84 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.19 4.18 0.00 2.20 2.06 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 2.34 2.55 0.00 120 E 7.82 4.51 0.00 2.31 2.23 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 2.42 2.44 0.00 121 F 7.45 3.27 0.00 2.76 3.07 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 0.00 0.00 0.00 122 D 7.03 4.07 0.00 2.45 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 0.00 0.00 0.00 0.00 123 P 0.00 3.45 0.00 0.49 1.41 0.00 3.19 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.50 0.00 124 T 7.16 3.97 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 1.09 0.00 0.00 125 R 7.38 4.33 0.00 1.75 1.85 0.00 2.98 0.00 0.00 3.08 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 126 N 7.81 4.95 0.00 2.48 2.70 0.00 0.00 7.10 7.28 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 0.00 127 A 9.85 4.03 1.36 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 0.00 128 V 7.75 3.63 2.24 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 0.91 0.00 0.00 0.97 0.00 0.00 129 F 9.19 4.25 0.00 3.10 3.25 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 0.00 130 K 8.47 4.04 0.00 1.89 1.86 0.00 1.77 0.00 0.00 1.91 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.68 1.86 7.81 131 G 9.04 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 0.00 132 S 7.34 4.76 0.00 4.08 4.39 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 0.00 133 Q 7.85 3.83 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.39 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 134 P 0.00 4.25 0.00 2.17 2.12 0.00 3.67 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 2.12 2.18 0.00 135 L 7.99 4.12 0.00 1.98 1.90 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 136 Y 7.86 4.24 0.00 2.95 2.90 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 0.00 137 H 8.75 4.14 0.00 3.12 3.53 0.00 6.00 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 8.02 3.77 0.00 1.70 1.21 0.12 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 139 F 8.14 4.66 0.00 3.02 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 9.69 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 0.00 0.00 0.00 141 K 6.53 3.92 0.00 1.85 1.72 0.00 1.47 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.43 7.81 142 F 8.57 4.63 0.00 3.21 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 0.00 143 P 0.00 4.39 0.00 2.20 2.09 0.00 4.10 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 144 E 8.72 3.99 0.00 1.91 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 2.24 2.20 0.00 145 V 7.79 3.30 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 0.67 0.00 0.00 0.92 0.00 0.00 146 A 7.94 4.07 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 0.00 147 E 7.80 4.23 0.00 2.00 1.99 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 2.32 2.30 0.00 *150 C 7.77 4.34 0.00 3.10 3.17 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 *152 I 7.71 4.28 1.96 0.00 0.00 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 1.37 0.83 1.06 0.00 0.00 153 R 8.04 4.05 0.00 1.92 2.10 0.00 3.13 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 154 H 8.05 4.23 0.00 3.24 3.36 0.00 5.71 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 I 7.76 3.80 1.89 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 1.58 0.48 0.39 0.00 0.00 156 Y 8.45 4.24 0.00 2.74 2.47 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 0.00 0.00 0.00 0.00 157 G 8.01 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 0.00 158 D 8.56 4.63 0.00 2.74 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 0.00 159 D 8.47 4.65 0.00 2.76 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 0.00 160 F 7.75 4.23 0.00 3.20 3.37 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 *162 E 8.26 4.37 0.00 2.34 2.03 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 2.35 2.54 0.00 163 I 7.16 3.25 1.02 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.17 0.06 0.00 0.00 164 F 7.93 4.24 0.00 3.21 3.07 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 0.00 0.00 0.00 165 E 7.85 4.51 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 2.34 2.34 0.00 166 T 7.89 4.69 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 1.25 0.00 0.00 167 S 7.87 4.38 0.00 3.90 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 * Residues marked with a * may have inaccurate shift predictions.