NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -9 A 4.3471 8.1227 123.5966 51.5210 18.9272 176.6423 -8 K 4.6721 8.2693 124.3848 57.5520 32.2569 174.1399 -7 E 4.1026 9.0081 118.1970 59.6942 29.9302 178.5344 -6 S 4.3296 8.1444 113.1605 62.1350 63.1757 176.3090 -5 T 4.0569 8.6224 112.7535 64.2614 68.1425 176.3198 -4 G 4.1395 9.2208 109.7678 45.2579 0.0000 173.0678 -3 F 3.9762 8.2438 119.5027 58.0539 39.7242 174.1904 -2 K 4.1374 7.3004 127.3150 53.3245 34.0082 174.0821 -1 P 3.9923 0.0000 0.0000 62.6049 32.2634 176.5020 -8 G 4.3121 8.3093 112.7848 46.4520 0.0000 172.4399 -7 S 4.2226 8.8981 113.6970 61.3942 63.8302 176.5344 -6 A 4.1796 8.0744 121.2605 56.3350 18.4757 179.5090 -5 K 4.0269 8.7624 119.5535 58.6614 31.4426 178.2198 -4 K 4.4995 9.1808 121.3678 56.3579 30.4981 174.7678 -3 G 3.3162 8.2738 108.0027 45.4539 0.0000 173.2904 -2 A 4.1374 7.2504 130.7150 49.6245 20.0082 175.2821 -1 T 3.9223 8.2286 117.6894 61.1049 69.9634 173.9020 9 L 4.1559 7.6418 123.8912 56.7798 42.1266 178.5510 10 F 4.0177 7.8701 120.5871 61.0824 39.2219 176.8432 11 K 4.0066 7.9433 117.7010 59.5745 32.2799 178.0848 12 T 4.2200 7.7582 107.7393 62.9886 68.9984 175.8237 13 R 4.5069 7.4365 117.0636 55.7724 32.7721 175.6907 14 C 4.2567 8.1091 113.3584 59.2700 30.3603 176.0282 15 Q 4.5306 7.6869 119.2293 58.4592 28.9574 176.6714 16 Q 4.0734 8.0921 117.8211 58.9083 28.9500 177.0901 17 C 4.7033 7.8566 111.7445 59.6803 30.1837 172.8462 18 H 5.2213 8.5568 116.9923 54.1943 32.7790 172.2540 19 T 5.0454 8.3745 110.3441 60.1113 71.1655 174.4296 20 I 4.5080 7.9977 119.9614 60.4498 40.1018 175.7002 21 E 3.9959 8.0630 119.7039 56.3206 29.8427 175.9001 22 E 3.7416 8.3365 123.3261 57.5383 29.9945 176.8783 23 G 3.8508 8.8734 113.2018 46.1395 0.0000 173.6783 24 G 3.8422 7.8409 108.6755 44.0478 0.0000 172.0093 25 P 4.6778 0.0000 0.0000 60.9771 32.9654 175.0672 26 N 4.8065 8.3232 116.6261 53.5328 40.1396 175.5789 27 K 4.1857 8.1714 121.6833 55.9566 37.2343 178.1920 28 V 3.6746 8.8945 124.2397 66.4380 31.6430 176.2358 29 G 3.7432 8.0325 108.1994 42.6564 0.0000 170.6893 30 P 4.4727 0.0000 0.0000 61.0586 32.3636 175.6370 31 N 4.5289 8.9064 119.1976 54.1268 39.3061 175.0243 32 L 4.2861 9.1494 124.4013 55.0752 42.4932 176.2982 33 H 4.1340 7.9786 119.4179 57.8325 30.2358 175.3413 34 G 3.9220 8.9830 114.1769 45.4564 0.0000 174.7718 35 I 3.4739 7.9343 121.2361 64.1111 37.9276 177.7775 36 F 4.4213 7.4443 116.3745 59.5379 38.7501 175.9306 37 G 4.1363 7.7427 107.7019 45.1544 0.0000 172.9022 38 R 4.6685 7.9443 118.5558 55.2806 34.3250 173.5302 39 H 5.0207 8.6033 119.9334 54.3452 30.5952 175.2686 40 S 4.6033 8.6492 115.2657 58.6575 63.7672 174.0921 41 G 2.3997 7.6293 106.6820 46.8912 0.0000 174.2805 42 Q 4.5014 7.7109 114.3805 54.5712 31.3996 176.5419 43 V 3.7731 7.9615 119.8538 62.3835 31.9498 175.3174 44 K 4.1532 8.6261 127.1507 58.1973 32.9856 177.4166 45 G 3.9396 9.0420 110.2837 45.5484 0.0000 172.2411 46 Y 4.2639 7.3819 119.4199 55.6740 40.0560 175.1033 47 S 4.3559 6.6469 121.1575 56.9331 63.2972 173.3378 48 Y 4.6808 8.2902 123.2463 56.6212 39.6566 176.3518 49 T 4.2797 8.3435 111.8998 61.7041 71.1006 175.3071 50 D 4.4153 8.6968 121.3892 57.1815 40.7389 178.7753 51 A 3.9845 8.0617 121.1347 55.3251 18.1742 179.0965 52 N 4.2853 8.0352 113.8790 56.7690 39.1546 176.7290 53 I 3.7023 7.5442 120.7197 64.7449 37.0704 178.2576 54 N 4.2949 8.3337 115.7982 56.0230 38.3479 177.1451 55 K 3.8370 7.6324 120.1600 57.0829 32.9176 176.0174 56 N 3.9087 7.5308 116.6549 54.0767 38.0913 174.1783 57 V 3.3370 7.4947 118.0025 62.5912 33.1088 175.6513 58 K 4.1342 8.0303 127.1900 54.4436 32.5070 176.3391 59 W 4.5504 8.5688 127.1981 56.9536 29.9095 175.3787 60 D 5.6481 8.6906 126.0335 51.5049 41.8644 175.6040 61 E 4.2147 8.6109 116.2728 58.9904 29.3786 178.4319 62 D 4.4398 8.2068 119.0282 57.0845 40.9662 178.1878 63 S 4.1912 9.1810 114.0923 61.7735 62.4379 175.7369 64 M 4.1671 8.1771 120.8892 58.8540 31.6856 178.3051 65 S 4.0993 7.7122 112.3321 61.2919 62.8938 175.4197 66 E 3.9609 7.7719 122.0020 59.4852 29.2630 177.7595 67 Y 4.1838 7.4995 119.4524 61.1146 38.3208 178.3314 68 L 4.0378 8.2500 118.8033 57.2380 41.5493 179.3326 69 T 4.7580 7.7984 116.8960 64.9198 69.2538 173.9828 70 N 4.3966 7.6838 114.4391 52.1052 40.6073 173.0724 71 P 4.0922 0.0000 0.0000 63.0262 31.1679 178.6286 *73 K 4.3664 8.1077 121.0500 57.3140 33.6353 176.3207 74 Y 4.5354 8.8717 119.3739 59.8849 39.1451 175.2811 75 I 4.5713 9.2173 121.2786 57.9585 37.9639 171.3675 76 P 4.5407 0.0000 0.0000 63.7579 31.8590 176.2325 77 G 4.1156 9.1611 111.0312 45.8782 0.0000 174.0152 78 T 4.0808 7.6524 113.4750 62.4478 67.6827 173.6973 79 K 4.4080 8.5151 123.9367 56.8257 33.4901 176.3193 80 M 4.0266 8.1169 121.0205 55.6401 32.3972 175.1005 81 A 4.6112 8.1062 129.3605 51.0649 19.5891 175.1288 82 F 4.5018 8.1560 119.1774 58.0821 42.3237 174.7822 83 A 3.7233 8.3048 131.4336 54.1024 18.3680 177.1186 84 G 3.6355 5.3800 97.4604 44.7026 0.0000 173.3965 85 L 4.5217 9.6192 120.0046 52.8024 41.9523 178.1848 86 K 3.9463 8.5793 124.2515 59.0857 32.4485 178.5353 87 K 4.1919 7.8576 118.8932 55.7162 32.9405 177.3208 88 E 3.9839 9.0882 124.7230 59.2333 29.4830 179.0261 89 K 3.9450 8.0279 118.2296 60.2081 32.5999 178.3823 90 D 4.4177 7.8539 120.4017 57.3200 40.7827 179.3699 91 R 4.0649 8.0077 117.7183 59.1869 30.2303 178.8184 92 N 4.7154 8.4421 116.3639 56.4623 38.6224 176.9691 93 D 4.4215 8.1401 120.2707 57.4370 40.9875 178.4755 94 L 4.0594 8.0746 120.4083 58.7072 42.0939 179.2520 95 I 4.0501 8.1679 119.2827 64.5780 37.0201 178.4653 96 T 3.9777 7.9814 116.7796 66.6235 68.1673 175.5413 97 Y 4.0696 8.2425 121.1538 61.3058 38.8267 178.1388 98 M 4.3456 8.6816 119.5392 59.2026 32.0005 178.7984 99 T 3.4664 7.8283 114.3990 66.4368 68.6487 176.4282 100 K 4.0044 7.6573 119.4316 59.1654 32.1583 179.2252 101 A 3.6899 8.1098 120.4187 54.7456 18.3852 178.7264 102 A 4.0352 8.2131 117.2790 52.5769 18.3582 177.5784 103 K 3.9890 7.4723 124.4510 56.4645 32.2623 176.1138 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 A 8.12 4.35 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 -8 K 8.27 4.67 0.00 1.97 1.87 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.42 0.00 0.00 0.00 0.00 1.55 1.74 7.81 -7 E 9.01 4.10 0.00 2.00 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 0.00 2.35 2.45 0.00 -6 S 8.14 4.33 0.00 3.92 3.97 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 -5 T 8.62 4.06 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 1.32 0.00 0.00 -4 G 9.22 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 0.00 0.00 0.00 -3 F 8.24 3.98 0.00 3.06 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 -2 K 7.30 4.14 0.00 1.57 1.41 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.15 1.19 7.81 -1 P 0.00 3.99 0.00 2.13 1.93 0.00 3.48 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 -8 G 8.31 4.31 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 0.00 -7 S 8.90 4.22 0.00 3.83 3.95 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 0.00 0.00 0.00 0.00 -6 A 8.07 4.18 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 -5 K 8.76 4.03 0.00 1.88 1.88 0.00 0.79 0.00 0.00 1.65 0.00 0.00 2.13 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.35 7.81 -4 K 9.18 4.50 0.00 1.77 1.72 0.00 0.61 0.00 0.00 1.63 0.00 0.00 2.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.35 7.81 -3 G 8.27 3.32 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 0.00 -2 A 7.25 4.14 1.19 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 0.00 0.00 0.00 -1 T 8.23 3.92 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 9 L 7.64 4.16 0.00 1.93 1.70 0.94 1.14 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 10 F 7.87 4.02 0.00 2.83 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 11 K 7.94 4.01 0.00 1.81 1.81 0.00 1.83 0.00 0.00 1.84 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.45 7.81 12 T 7.76 4.22 4.23 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 1.22 0.00 0.00 13 R 7.44 4.51 0.00 1.68 1.70 0.00 3.16 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00 14 C 8.11 4.26 0.00 1.23 1.69 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.69 4.53 0.00 2.21 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 16 Q 8.09 4.07 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.57 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 17 C 7.86 4.70 0.00 2.80 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 18 H 8.56 5.22 0.00 3.17 3.19 0.00 5.56 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.37 5.05 4.54 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 1.28 0.00 0.00 20 I 8.00 4.51 1.39 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.85 0.53 0.00 0.00 21 E 8.06 4.00 0.00 2.06 1.82 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 2.39 2.36 0.00 22 E 8.34 3.74 0.00 1.46 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 23 G 8.87 3.85 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 0.00 0.00 0.00 24 G 7.84 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 25 P 0.00 4.68 0.00 2.20 2.08 0.00 3.78 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 1.95 1.98 0.00 26 N 8.32 4.81 0.00 2.84 2.99 0.00 0.00 6.72 7.61 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 27 K 8.17 4.19 0.00 1.84 1.40 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.37 7.81 28 V 8.89 3.67 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 0.77 0.00 0.00 0.93 0.00 0.00 29 G 8.03 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.47 0.00 1.87 0.50 0.00 3.55 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.57 0.00 31 N 8.91 4.53 0.00 2.90 2.77 0.00 0.00 7.12 7.51 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 32 L 9.15 4.29 0.00 1.69 1.58 0.88 0.76 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 33 H 7.98 4.13 0.00 3.35 3.21 0.00 5.99 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.98 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 35 I 7.93 3.47 1.73 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.69 0.39 0.00 0.00 36 F 7.44 4.42 0.00 3.14 3.19 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 0.00 37 G 7.74 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 0.00 0.00 0.00 38 R 7.94 4.67 0.00 1.92 1.91 0.00 3.14 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 39 H 8.60 5.02 0.00 2.99 3.19 0.00 5.95 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 40 S 8.65 4.60 0.00 4.12 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.63 2.40 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 0.00 42 Q 7.71 4.50 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 43 V 7.96 3.77 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 1.11 0.00 0.00 1.07 0.00 0.00 44 K 8.63 4.15 0.00 1.95 1.86 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.42 7.81 45 G 9.04 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 46 Y 7.38 4.26 0.00 2.91 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 47 S 6.65 4.36 0.00 3.85 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 48 Y 8.29 4.68 0.00 3.06 3.06 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 0.00 0.00 0.00 49 T 8.34 4.28 4.32 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 1.36 0.00 0.00 50 D 8.70 4.42 0.00 2.81 2.78 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 51 A 8.06 3.98 1.41 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 52 N 8.04 4.29 0.00 2.92 3.04 0.00 0.00 7.33 8.09 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 53 I 7.54 3.70 2.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.40 0.88 0.00 0.00 54 N 8.33 4.29 0.00 2.93 2.85 0.00 0.00 7.08 7.42 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 55 K 7.63 3.84 0.00 1.84 1.89 0.00 1.58 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.20 0.00 0.00 0.00 0.00 1.31 1.20 7.81 56 N 7.53 3.91 0.00 2.64 2.63 0.00 0.00 7.16 7.46 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 57 V 7.49 3.34 1.20 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 -0.05 0.00 0.00 0.32 0.00 0.00 58 K 8.03 4.13 0.00 1.51 1.48 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.37 7.81 59 W 8.57 4.55 0.00 3.37 2.78 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 60 D 8.69 5.65 0.00 2.93 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 61 E 8.61 4.21 0.00 1.60 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 1.47 1.77 0.00 62 D 8.21 4.44 0.00 2.86 2.77 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 63 S 9.18 4.19 0.00 4.21 4.27 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 64 M 8.18 4.17 0.00 2.40 2.36 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.77 0.00 65 S 7.71 4.10 0.00 4.06 4.05 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 0.00 0.00 0.00 66 E 7.77 3.96 0.00 1.86 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 2.22 2.32 0.00 67 Y 7.50 4.18 0.00 2.96 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 68 L 8.25 4.04 0.00 1.77 1.77 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 69 T 7.80 4.76 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 70 N 7.68 4.40 0.00 2.60 2.66 0.00 0.00 6.82 7.56 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 71 P 0.00 4.09 0.00 2.18 1.24 0.00 3.67 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 2.13 1.81 0.00 *73 K 8.11 4.37 0.00 2.00 2.19 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.59 7.81 74 Y 8.87 4.54 0.00 3.09 3.32 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 75 I 9.22 4.57 2.19 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.00 1.01 0.00 0.00 76 P 0.00 4.54 0.00 2.06 2.03 0.00 3.65 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 2.13 0.00 77 G 9.16 4.12 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 0.00 78 T 7.65 4.08 4.50 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 1.47 0.00 0.00 79 K 8.52 4.41 0.00 1.96 1.98 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.48 7.81 80 M 8.12 4.03 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.59 0.00 81 A 8.11 4.61 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 82 F 8.16 4.50 0.00 2.91 2.80 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 0.00 83 A 8.30 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 5.38 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 9.62 4.52 0.00 1.81 1.68 1.02 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.58 3.95 0.00 1.72 1.84 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.37 1.35 7.81 87 K 7.86 4.19 0.00 1.95 1.75 0.00 1.95 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.42 7.81 88 E 9.09 3.98 0.00 2.05 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 2.42 0.00 89 K 8.03 3.95 0.00 2.03 2.06 0.00 1.58 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.55 7.81 90 D 7.85 4.42 0.00 2.93 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 91 R 8.01 4.06 0.00 2.13 2.09 0.00 3.24 0.00 0.00 3.48 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.92 0.00 92 N 8.44 4.72 0.00 2.91 2.97 0.00 0.00 6.99 7.44 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 93 D 8.14 4.42 0.00 2.92 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 94 L 8.07 4.06 0.00 1.92 1.78 1.14 1.00 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 95 I 8.17 4.05 2.14 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 1.63 0.62 0.24 0.00 0.00 96 T 7.98 3.98 4.55 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 1.33 0.00 0.00 97 Y 8.24 4.07 0.00 3.24 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 98 M 8.68 4.35 0.00 2.39 2.43 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.80 0.00 99 T 7.83 3.47 4.33 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 1.00 0.00 0.00 100 K 7.66 4.00 0.00 1.88 1.62 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.51 7.81 101 A 8.11 3.69 0.31 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 0.00 102 A 8.21 4.04 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 0.00 103 K 7.47 3.99 0.00 1.73 1.77 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.