NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.6183 8.3501 109.7370 45.2632 0.0000 175.0827 *2 A 4.0090 8.9899 127.4629 52.5279 19.7649 177.9804 3 R 4.7222 8.3426 121.9811 55.1222 33.4894 172.7544 4 K 4.3823 8.0207 123.4023 55.1512 32.9611 176.9013 5 R 4.4509 8.5733 124.5126 55.2789 30.5924 175.8995 6 L 4.4383 9.0769 125.0552 56.2672 42.3708 176.6208 7 I 4.7546 7.4922 117.6616 59.2954 42.1088 173.1192 8 I 4.9679 8.3688 127.2000 59.7433 39.7196 174.6442 9 E 4.4617 9.3131 126.5080 54.5370 33.1208 174.9286 *11 G 4.2116 8.1901 105.0931 46.1047 0.0000 172.0221 *13 G 4.1632 8.4567 107.0972 46.3082 0.0000 172.1046 14 I 5.1456 8.0956 121.0304 59.3792 41.0535 174.4658 15 D 4.6838 9.0117 127.6728 52.9347 40.8147 176.1889 16 Q 4.1228 8.6540 125.8894 58.1888 29.3278 177.2138 17 H 4.8085 7.6886 113.5943 55.1014 29.6071 176.2668 18 G 4.1559 7.8169 103.3800 46.7646 0.0000 173.6686 19 Q 3.5803 8.5579 116.2044 56.1775 26.8397 174.2400 20 E 4.7502 8.3725 117.4484 53.3678 29.7767 174.7354 21 P 4.3392 0.0000 0.0000 66.1583 31.6157 178.7200 22 T 3.8512 7.9489 115.0856 66.6229 68.3667 176.2792 23 I 3.6840 7.6191 121.2390 64.2838 37.1685 178.3019 24 A 3.9738 8.0132 120.8503 55.1276 18.2803 179.3796 25 A 3.9489 8.2377 119.3795 55.4301 18.4664 180.0433 26 S 4.0761 8.4362 114.0710 61.9299 62.8411 177.2530 27 R 4.0306 8.2277 120.5093 58.9889 29.7436 179.0487 28 A 4.0011 8.0391 120.7818 55.0905 18.2728 179.8443 29 V 3.5249 7.8116 116.8181 66.0159 31.5465 178.1249 30 R 3.8667 8.0102 118.4284 59.6163 29.8309 177.9921 31 N 4.1966 8.5063 116.8237 56.5976 38.6351 176.6551 32 A 4.0067 7.9635 121.8531 54.2126 18.9083 178.6309 33 I 4.5295 7.7769 111.1867 60.7152 38.6712 177.8006 34 A 4.0203 8.0968 123.4756 55.0281 18.3131 177.7850 35 H 4.9646 8.0979 110.2464 55.5650 29.0770 174.1653 36 N 5.1433 7.9887 115.7495 51.2812 41.8346 173.6877 37 A 4.8183 8.3822 122.0132 50.6189 22.5273 176.4957 38 L 4.9233 8.1139 118.9291 52.7001 42.0676 175.8947 39 P 4.5179 0.0000 0.0000 65.1134 32.0056 178.1149 40 G 3.8396 7.8292 104.4068 44.5467 0.0000 174.5692 41 V 3.5691 7.5850 121.3266 65.6396 31.5125 177.9158 42 W 4.2591 8.2795 116.0353 59.6966 27.9207 178.0463 43 E 3.4368 6.8821 118.7916 59.0098 28.7325 179.5526 44 V 3.6250 7.4416 110.6680 63.6492 31.6603 177.6553 45 A 4.3056 7.7517 118.7166 52.1268 18.4631 177.9341 46 G 3.8090 7.7655 105.2601 45.8550 0.0000 173.8292 47 L 4.5700 7.8555 121.0553 54.1347 42.8249 178.0548 48 S 4.6386 8.7754 117.3584 60.2223 62.9594 174.7523 49 H 3.8862 7.8415 115.5862 54.8274 32.1763 172.4995 50 P 3.9358 0.0000 0.0000 66.0641 31.0729 178.2105 51 N 4.6719 8.0389 113.4693 54.1432 37.6323 179.3047 52 E 4.2289 7.9131 116.5884 55.8735 28.3440 174.6256 *54 I 4.1341 7.8163 122.8317 61.0372 39.3001 174.4247 55 I 4.9997 8.7848 128.0300 59.5299 40.5576 174.2892 56 E 5.0950 9.1837 127.1810 54.5091 32.0228 175.1058 57 V 4.8453 8.8905 124.9525 61.0236 34.4506 173.8182 58 Q 5.0012 9.0810 129.1317 54.3046 31.5226 174.0348 59 V 4.9930 8.7985 126.1839 60.9709 34.7180 173.7723 60 A 5.3347 8.7003 129.4861 50.2066 21.4292 175.4490 61 V 4.6698 8.3789 120.4077 59.8824 35.1060 171.6497 62 P 4.0661 0.0000 0.0000 62.8915 32.2062 175.7288 63 Y 3.9425 7.7344 117.9151 58.6158 35.3621 170.3013 64 P 4.3512 0.0000 0.0000 65.5967 32.0494 178.8104 65 E 4.0312 8.2451 115.9858 58.9136 29.4335 177.5478 66 Q 4.2440 8.0082 116.4808 56.1478 29.2373 176.0410 67 V 3.6422 7.4892 119.6603 62.5804 31.8722 176.5281 68 R 4.2516 8.8325 127.5722 55.2798 29.8357 177.1717 69 E 3.9774 8.5411 124.7291 59.4455 29.7240 179.1000 70 E 3.9665 8.1340 118.1168 59.1980 29.3035 178.7986 71 E 3.9243 8.0710 118.3407 59.2006 30.1605 178.6396 72 V 3.8094 7.4914 119.5535 65.5692 31.7374 178.1224 73 L 4.0564 8.1905 118.3439 57.3948 41.1752 179.1273 74 A 4.0845 7.8715 119.8469 54.4279 18.2766 179.3367 75 V 3.7141 7.4234 116.1120 64.5981 31.6704 176.3084 76 L 4.2359 7.2896 119.5159 53.3949 41.8747 175.2991 77 P 4.0693 0.0000 0.0000 64.8336 31.6148 176.3626 78 F 4.8596 8.0154 114.7920 55.9377 42.8678 172.9190 79 G 3.9425 8.7104 108.0592 44.1900 0.0000 174.1499 80 R 4.4302 8.5506 118.4979 54.9667 30.6581 175.6604 81 K 5.3144 8.5319 123.3081 54.7340 34.9415 176.0133 82 T 4.7995 8.7223 112.4624 59.9937 72.6366 172.3429 83 L 5.3038 8.5038 124.0601 53.6923 45.4083 175.4622 84 T 4.6665 8.9170 121.9165 61.7275 71.7762 172.8778 85 V 4.9700 8.5277 126.1908 61.0836 33.8276 174.2758 86 E 4.8418 9.0696 124.5013 54.2753 33.6673 174.4444 87 S 4.7595 8.2291 115.4632 56.8101 62.8777 174.8910 88 G 3.9635 9.0331 112.9318 46.9784 0.0000 172.5776 89 G 4.1298 8.6712 115.2412 46.5371 0.0000 176.1128 *91 I 3.9043 8.7802 119.0869 60.9969 38.7918 174.9469 92 V 4.1995 8.3076 126.9653 61.4558 32.9154 174.1119 93 Q 4.7349 8.5240 129.5882 54.7320 30.5033 174.9753 94 G 4.0057 8.7880 112.6132 44.7174 0.0000 172.6946 95 R 3.8491 8.8964 120.5416 56.3215 30.3124 176.2417 96 A 4.1097 8.6030 127.9588 52.5035 19.0970 176.9219 97 I 4.2984 9.0302 124.2426 58.9098 37.4016 174.8951 98 P 4.3059 0.0000 0.0000 65.4029 31.4232 179.0563 99 E 4.0612 8.1833 116.2358 58.4512 29.5001 177.3845 100 L 4.5231 7.6605 117.2185 53.8676 41.8458 175.8799 101 N 4.2037 8.0272 114.6307 54.2653 36.1747 174.5190 102 D 4.6067 7.9037 116.8543 54.5102 41.7612 177.7587 103 K 4.1443 8.7773 122.9565 58.4558 32.9041 176.2656 104 N 4.8424 7.5208 113.0199 52.4200 39.3497 173.7531 105 D 5.2078 8.5692 118.8663 53.2704 40.1904 175.4133 106 E 5.4954 7.9107 120.0596 54.5610 32.4922 174.3268 *108 L 4.2068 8.2695 118.4197 55.6659 43.6727 175.9411 109 I 4.9636 8.3522 123.4491 59.4694 39.9451 174.3438 110 A 5.1847 8.9966 129.1490 50.2487 21.6169 175.6280 111 I 4.7815 8.6668 120.5246 59.4151 40.3557 174.7178 112 A 5.2275 8.9759 127.2418 50.0138 22.0238 175.1724 113 A 4.7846 9.1066 123.3553 50.0724 22.1330 175.1772 114 V 4.5866 9.1062 123.6526 61.6528 33.7166 174.4453 115 T 5.0845 9.0658 125.5520 61.7834 71.3550 173.5045 116 V 4.5561 8.6873 126.7720 61.7602 32.9385 174.8283 117 L 5.2642 8.9851 130.1328 53.6004 44.8709 177.3465 118 I 4.2090 8.3437 119.1958 60.7582 36.3083 176.3227 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 0 G 8.35 3.62 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 0.00 0.00 0.00 *2 A 8.99 4.01 1.29 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 3 R 8.34 4.72 0.00 1.79 1.66 0.00 3.27 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 1.43 1.14 0.00 4 K 8.02 4.38 0.00 1.44 1.72 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.37 1.29 7.81 5 R 8.57 4.45 0.00 1.69 1.90 0.00 3.17 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 6 L 9.08 4.44 0.00 1.61 1.71 0.94 0.62 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 7 I 7.49 4.75 1.89 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 1.36 1.71 0.93 0.00 0.00 8 I 8.37 4.97 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.80 0.92 0.00 0.00 9 E 9.31 4.46 0.00 1.86 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 2.24 2.24 0.00 *11 G 8.19 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 0.00 0.00 0.00 0.00 *13 G 8.46 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 14 I 8.10 5.15 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.70 0.90 0.00 0.00 15 D 9.01 4.68 0.00 2.75 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 16 Q 8.65 4.12 0.00 1.83 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 17 H 7.69 4.81 0.00 3.20 3.32 0.00 5.88 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 7.82 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 19 Q 8.56 3.58 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.30 0.00 0.00 0.00 0.00 0.00 2.13 2.31 0.00 20 E 8.37 4.75 0.00 2.06 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 2.20 2.35 0.00 21 P 0.00 4.34 0.00 2.33 2.63 0.00 3.80 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 2.12 2.17 0.00 22 T 7.95 3.85 4.25 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 1.26 0.00 0.00 23 I 7.62 3.68 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.66 0.91 0.00 0.00 24 A 8.01 3.97 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 25 A 8.24 3.95 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 4.08 0.00 3.85 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 27 R 8.23 4.03 0.00 2.06 1.97 0.00 3.28 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 28 A 8.04 4.00 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 0.00 0.00 0.00 0.00 0.00 29 V 7.81 3.52 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.96 0.00 0.00 30 R 8.01 3.87 0.00 1.92 2.06 0.00 3.15 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 31 N 8.51 4.20 0.00 2.82 2.93 0.00 0.00 7.17 8.26 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 32 A 7.96 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 33 I 7.78 4.53 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.37 0.98 0.00 0.00 34 A 8.10 4.02 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 35 H 8.10 4.96 0.00 3.13 3.31 0.00 5.66 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 7.99 5.14 0.00 2.85 2.70 0.00 0.00 6.59 6.78 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 37 A 8.38 4.82 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 38 L 8.11 4.92 0.00 1.75 1.66 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.52 0.00 2.20 2.24 0.00 3.81 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 2.00 2.00 0.00 40 G 7.83 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 41 V 7.59 3.57 2.16 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 1.09 0.00 0.00 0.96 0.00 0.00 42 W 8.28 4.26 0.00 3.59 3.21 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 43 E 6.88 3.44 0.00 1.66 1.54 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 2.40 1.97 0.00 44 V 7.44 3.62 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 0.61 0.00 0.00 0.94 0.00 0.00 45 A 7.75 4.31 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 46 G 7.77 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 0.00 0.00 0.00 47 L 7.86 4.57 0.00 2.06 1.76 1.03 0.63 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 48 S 8.78 4.64 0.00 3.65 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 49 H 7.84 3.89 0.00 2.96 2.97 0.00 5.66 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 3.94 0.00 0.92 1.42 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.51 0.00 51 N 8.04 4.67 0.00 2.74 2.73 0.00 0.00 6.67 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 52 E 7.91 4.23 0.00 2.11 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 2.33 2.29 0.00 *54 I 7.82 4.13 2.07 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 1.37 0.76 0.93 0.00 0.00 55 I 8.78 5.00 1.90 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 1.27 0.99 0.94 0.00 0.00 56 E 9.18 5.09 0.00 1.90 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 2.24 2.23 0.00 57 V 8.89 4.85 2.16 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 1.02 0.00 0.00 0.94 0.00 0.00 58 Q 9.08 5.00 0.00 2.13 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.53 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 59 V 8.80 4.99 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 1.03 0.00 0.00 0.93 0.00 0.00 60 A 8.70 5.33 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 V 8.38 4.67 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 0.77 0.00 0.00 0.96 0.00 0.00 62 P 0.00 4.07 0.00 1.87 1.66 0.00 3.84 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 63 Y 7.73 3.94 0.00 3.18 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 64 P 0.00 4.35 0.00 2.22 2.48 0.00 3.69 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 65 E 8.25 4.03 0.00 2.12 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 2.33 2.33 0.00 66 Q 8.01 4.24 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 67 V 7.49 3.64 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 0.77 0.00 0.00 1.00 0.00 0.00 68 R 8.83 4.25 0.00 1.88 1.89 0.00 3.18 0.00 0.00 3.16 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 69 E 8.54 3.98 0.00 2.01 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 2.40 2.57 0.00 70 E 8.13 3.97 0.00 1.97 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 2.40 2.30 0.00 71 E 8.07 3.92 0.00 1.95 2.18 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 2.29 2.36 0.00 72 V 7.49 3.81 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 1.12 0.00 0.00 0.98 0.00 0.00 73 L 8.19 4.06 0.00 1.72 1.70 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.87 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 75 V 7.42 3.71 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 0.88 0.00 0.00 0.96 0.00 0.00 76 L 7.29 4.24 0.00 1.85 1.60 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.07 0.00 1.12 1.85 0.00 3.70 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 2.04 1.95 0.00 78 F 8.02 4.86 0.00 2.95 2.84 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 79 G 8.71 3.94 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 0.00 0.00 0.00 80 R 8.55 4.43 0.00 1.80 1.92 0.00 3.10 0.00 0.00 3.49 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 81 K 8.53 5.31 0.00 1.61 1.70 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.53 7.81 82 T 8.72 4.80 4.25 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 1.22 0.00 0.00 83 L 8.50 5.30 0.00 1.60 1.53 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.92 4.67 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 85 V 8.53 4.97 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 0.84 0.00 0.00 0.98 0.00 0.00 86 E 9.07 4.84 0.00 2.00 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 2.39 2.22 0.00 87 S 8.23 4.76 0.00 3.86 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 88 G 9.03 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 89 G 8.67 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 *91 I 8.78 3.90 1.86 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.51 0.95 0.00 0.00 92 V 8.31 4.20 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 0.96 0.00 0.00 0.93 0.00 0.00 93 Q 8.52 4.73 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 2.45 2.31 0.00 94 G 8.79 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 95 R 8.90 3.85 0.00 1.78 1.90 0.00 3.25 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 96 A 8.60 4.11 1.29 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 97 I 9.03 4.30 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.89 0.92 0.00 0.00 98 P 0.00 4.31 0.00 2.17 2.09 0.00 3.60 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 99 E 8.18 4.06 0.00 1.94 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 2.31 2.39 0.00 100 L 7.66 4.52 0.00 1.79 1.72 0.94 1.11 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 0.00 101 N 8.03 4.20 0.00 2.71 2.80 0.00 0.00 6.92 7.37 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 0.00 102 D 7.90 4.61 0.00 2.83 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 K 8.78 4.14 0.00 1.96 1.99 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.37 7.81 104 N 7.52 4.84 0.00 2.75 2.77 0.00 0.00 5.98 8.06 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 0.00 105 D 8.57 5.21 0.00 2.94 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 0.00 106 E 7.91 5.50 0.00 2.11 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 2.28 2.25 0.00 *108 L 8.27 4.21 0.00 1.67 1.71 1.11 0.86 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 0.00 109 I 8.35 4.96 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 1.28 1.34 0.96 0.00 0.00 110 A 9.00 5.18 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 0.00 111 I 8.67 4.78 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.68 0.91 0.00 0.00 112 A 8.98 5.23 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 0.00 113 A 9.11 4.78 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 0.00 114 V 9.11 4.59 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 0.99 0.00 0.00 0.94 0.00 0.00 115 T 9.07 5.08 4.25 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 1.27 0.00 0.00 116 V 8.69 4.56 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 1.05 0.00 0.00 0.97 0.00 0.00 117 L 8.99 5.26 0.00 1.51 1.61 1.05 0.89 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 0.00 118 I 8.34 4.21 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 0.86 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.