NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4836 8.3049 120.3263 55.1182 33.4395 174.4896 2 E 4.4900 8.4505 121.7924 53.4028 32.8192 174.0527 3 S 4.3193 9.2789 118.9773 57.6124 64.0164 174.7460 4 K 4.0699 8.7327 128.2416 59.4124 32.2333 179.2147 5 R 3.9753 7.6459 114.4651 58.1584 29.4549 177.1295 6 N 4.9603 7.9447 114.5699 53.0395 39.1618 174.7589 7 K 4.8016 7.8401 118.4368 53.7215 34.7443 174.5681 8 P 5.1906 0.0000 0.0000 63.0942 32.4124 175.3173 9 G 3.8981 7.7501 107.0214 45.8626 0.0000 171.4320 10 K 5.0600 8.3204 120.7901 53.9927 34.0288 175.6920 11 A 4.6299 9.1233 130.3680 52.6020 19.3678 176.2987 12 T 4.8290 9.0873 111.3813 59.9531 73.1815 173.1083 13 G 3.8255 9.0378 107.3176 45.1218 0.0000 173.2354 14 K 4.2597 9.5784 116.8069 55.1520 34.0589 178.4861 15 G 4.0640 8.4905 107.2519 44.8896 0.0000 172.6112 16 K 4.6500 8.1204 116.0941 53.7068 36.2688 174.2162 17 P 4.7440 0.0000 0.0000 62.4799 31.6825 176.2888 18 V 4.6015 8.0560 114.7249 59.5769 35.9734 175.0506 19 G 4.4955 8.0813 109.4851 44.7912 0.0000 173.8194 20 D 4.4017 8.9971 120.9388 57.9051 41.2443 177.7489 *21 K 4.4837 8.1047 119.2760 54.3484 31.9870 180.6845 22 W 4.5634 8.2829 120.7485 61.2503 27.8016 178.3001 23 L 3.4466 7.1372 118.9002 56.5139 41.0240 179.0048 24 D 4.4213 8.2153 119.7969 57.4047 40.7426 178.2919 25 D 4.4946 8.0993 118.6398 56.9168 40.7566 178.4856 26 A 4.5457 8.0329 121.0509 54.0931 18.1010 178.6414 27 G 3.9770 7.7564 101.9628 43.6996 0.0000 173.3493 28 K 4.7752 7.2338 120.0900 54.8490 36.5296 178.0878 29 D 4.6282 8.1552 120.5333 56.4786 39.5855 175.0078 30 S 4.6102 8.9565 121.6382 59.1885 62.9709 174.7031 31 G 3.8436 8.4393 110.0830 44.6970 0.0000 173.0940 32 A 4.8598 8.5805 120.1546 49.9950 20.9233 175.7632 33 P 4.8315 0.0000 0.0000 62.0204 33.2443 176.0415 34 I 3.8311 8.2503 121.1915 60.6676 38.0831 174.3790 35 P 4.5435 0.0000 0.0000 62.3983 31.9892 176.8791 36 D 4.6901 8.7109 124.5878 56.3645 39.0848 179.6001 37 R 4.1529 7.7183 118.5899 58.6722 30.0789 178.9722 38 I 3.6212 7.4628 119.2706 64.1163 37.1186 177.8994 39 A 4.0166 8.0609 121.7467 55.4390 17.9659 179.3685 40 D 4.2967 8.4240 116.5124 57.5449 40.9214 178.9712 41 K 4.1451 7.7238 117.6987 58.6573 32.3791 178.5549 42 L 4.5801 7.9405 118.0728 54.3918 42.4082 176.7898 43 R 4.2904 7.6559 119.7347 57.8236 30.3485 176.4368 44 D 4.6432 9.0664 123.4146 54.4929 39.8031 174.3098 45 K 4.2702 7.8639 119.4244 55.6242 33.7834 175.3469 46 E 4.6927 8.1733 123.8801 54.9628 31.0715 175.0739 47 F 4.9070 8.6461 124.7245 55.5511 42.2601 176.7524 48 K 4.1378 9.3800 120.8974 59.1450 32.5666 177.5002 49 S 5.0974 7.6952 113.1535 57.2925 66.3617 175.9535 50 F 4.2707 9.2348 124.5799 61.4911 39.0040 176.6641 51 D 4.3686 8.3108 117.4305 57.1239 41.0926 177.5621 52 D 4.4014 8.2783 118.7098 57.2723 41.2988 177.8985 53 F 3.2097 8.3431 121.1675 60.9482 39.4203 176.9737 54 R 3.3637 7.9428 118.5968 59.1706 29.7851 178.2767 55 K 4.2947 8.3242 120.4380 59.0233 32.1066 178.5242 56 A 4.0784 7.9431 120.9487 54.9290 18.1903 179.7574 57 V 3.0343 7.1061 116.7006 65.9344 31.5267 178.4620 58 W 4.4545 7.6215 118.2138 59.5988 28.6466 178.4349 59 E 4.0342 8.3121 118.2550 59.6079 29.3379 178.9502 60 E 4.0765 8.5347 118.9551 59.2206 29.5367 179.4876 61 V 3.6648 8.0308 118.7204 66.1350 31.5337 178.2648 62 S 4.2493 8.4134 113.8436 61.0961 62.5327 175.9025 63 K 4.4781 7.7087 119.3394 55.8415 32.3091 175.8935 64 D 4.7323 7.4694 120.2275 51.7611 41.4478 174.9494 65 P 4.3112 0.0000 0.0000 65.7691 31.7034 178.7959 66 E 4.0402 8.2358 116.3910 59.2602 29.5237 178.1232 67 L 4.2985 8.1633 117.4158 56.2318 42.0399 177.6085 68 S 4.7694 7.8207 112.3526 57.7105 64.2780 175.8180 69 K 3.8497 7.6641 122.6582 59.4261 31.8571 177.7933 70 N 5.0188 7.9779 113.9329 52.3194 37.8375 174.3653 71 L 4.5472 7.7994 118.8520 54.5965 43.4316 177.5623 72 N 4.7008 8.4026 120.4316 51.7690 39.8197 174.2774 73 P 4.2767 0.0000 0.0000 66.2116 31.3037 179.1395 74 S 4.1386 8.1275 113.0445 61.4503 62.7646 176.3210 75 A 4.0796 8.5245 123.5857 55.1760 18.1118 179.8313 76 K 3.9501 8.5491 117.4177 59.7305 31.8630 179.7478 77 S 4.1362 7.8917 114.6797 61.4431 63.0268 176.5035 78 S 4.2366 7.8650 115.4090 61.6393 62.2812 176.7443 79 V 4.2044 7.9563 116.2836 63.7279 31.0264 178.6771 80 S 4.4203 7.8484 115.5470 60.1069 62.6674 175.6102 81 K 4.1938 7.4584 119.1812 55.7515 31.8405 177.5203 82 G 4.0509 8.4206 109.1378 45.5252 0.0000 173.3212 83 Y 4.4777 7.3223 117.3981 57.2003 38.8106 174.9050 84 S 2.7900 8.0818 117.9382 56.7916 63.3671 172.1725 85 P 4.4875 0.0000 0.0000 62.2927 32.7630 175.4236 86 F 4.5864 8.8096 120.1662 57.7988 39.5432 175.5013 87 T 4.0482 8.1616 113.6377 59.8029 70.2297 172.7422 88 P 4.3205 0.0000 0.0000 62.4716 32.2195 177.3905 89 K 3.7616 8.9233 122.7238 59.8192 31.9651 178.0665 90 N 4.5788 8.1054 112.7555 54.3127 37.6142 175.0584 91 Q 4.4761 8.1388 117.8691 55.8021 29.7820 175.4776 92 Q 4.5194 7.6892 117.5559 55.2037 29.7562 176.0502 93 V 4.2028 8.3577 119.7333 61.6154 33.9846 175.9378 94 G 3.9490 8.3678 119.7029 47.1681 0.0000 173.6660 95 G 3.7312 8.7824 113.3447 45.6451 0.0000 173.3922 96 R 4.2528 8.2192 121.1593 55.0219 29.3134 176.7522 97 K 4.4583 8.2399 121.0083 55.7407 33.8084 176.1579 98 V 4.5598 6.9627 110.9085 58.8070 35.2535 174.9803 99 Y 4.2670 8.1040 120.0491 58.5664 38.4778 175.8419 100 E 4.8658 9.5478 122.7157 54.6453 32.8900 174.8662 101 L 5.1904 8.6041 123.0965 53.9288 43.0568 175.6321 102 H 5.0203 9.3565 120.8157 54.1667 33.1942 172.2385 103 H 4.9057 8.6089 117.6608 55.2846 29.2625 174.8857 104 D 4.4186 9.2813 124.8750 57.1207 41.5474 176.2230 105 K 4.2458 8.9842 121.3752 54.4731 32.8781 174.4494 106 P 4.4827 0.0000 0.0000 62.6056 32.2120 177.4035 107 I 4.2685 8.6013 122.2140 63.9879 37.1425 178.5452 108 S 4.2374 7.9980 112.9332 60.3399 62.9211 174.6503 109 Q 4.4545 8.0103 118.7320 55.8354 28.8932 176.0604 110 G 4.0222 8.1812 105.9529 45.0063 0.0000 174.8458 111 G 3.9856 8.0955 109.0275 44.5680 0.0000 173.5039 112 E 4.4812 8.3268 121.7937 55.2919 30.7962 177.2830 113 V 3.2747 8.2962 121.5611 65.7097 31.7953 176.7184 114 Y 4.1455 7.6866 114.5270 57.4162 38.4165 174.6190 115 D 4.8900 7.6972 120.5095 53.1738 40.5007 176.7447 116 M 4.3788 9.0265 128.1541 57.9159 32.0566 177.6474 117 D 4.5521 8.2819 117.0676 55.4549 41.4822 176.1460 118 N 4.9205 8.6031 118.3220 53.1887 40.0618 173.5410 119 I 5.0417 7.7073 117.1341 59.7980 40.0124 175.0799 120 R 4.9150 9.0663 123.8507 54.4877 34.7684 174.3916 121 V 4.9389 9.2046 122.8939 61.8548 33.1240 174.8226 122 T 5.4459 9.2239 118.4522 59.7668 72.4596 173.7055 123 T 4.1898 8.5819 113.0455 60.9635 69.9950 173.6404 124 P 4.2247 0.0000 0.0000 65.7402 31.2646 178.8820 125 K 3.8946 8.0407 118.1935 59.6227 32.1896 178.9249 126 R 3.8987 8.0851 118.9920 59.5272 29.8800 177.8873 127 H 4.1095 8.4999 118.3115 59.4146 29.8346 177.4066 128 I 3.7089 8.0189 121.6758 64.3220 36.6419 178.2354 129 D 4.3378 8.0760 119.2236 57.2578 41.0149 178.5651 130 I 3.8284 7.8462 120.3450 64.6867 37.2411 177.9760 131 H 4.0852 8.3824 119.3994 59.3040 29.4759 177.2763 132 R 4.1438 8.1317 118.3731 57.9333 30.0354 178.0938 133 G 3.8641 7.4721 103.5359 44.9889 0.0000 173.8943 134 K 4.1511 7.6801 125.2825 56.6673 32.0467 176.7266 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 M 8.30 4.48 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.62 0.00 2 E 8.45 4.49 0.00 2.00 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 2.19 2.36 0.00 3 S 9.28 4.32 0.00 3.85 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 4 K 8.73 4.07 0.00 1.79 1.80 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.42 7.81 5 R 7.65 3.98 0.00 1.80 1.96 0.00 2.73 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 1.56 1.61 0.00 6 N 7.94 4.96 0.00 2.83 2.92 0.00 0.00 6.82 7.14 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 7 K 7.84 4.80 0.00 1.84 1.77 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.64 7.81 8 P 0.00 5.19 0.00 1.94 2.06 0.00 3.82 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 9 G 7.75 3.90 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 0.00 0.00 0.00 10 K 8.32 5.06 0.00 1.70 1.68 0.00 1.88 0.00 0.00 1.69 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.47 7.81 11 A 9.12 4.63 1.62 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 12 T 9.09 4.83 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 1.30 0.00 0.00 13 G 9.04 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 14 K 9.58 4.26 0.00 1.78 1.82 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.35 7.81 15 G 8.49 4.06 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 0.00 0.00 0.00 16 K 8.12 4.65 0.00 1.73 1.63 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.55 7.81 17 P 0.00 4.74 0.00 2.02 1.96 0.00 3.65 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 18 V 8.06 4.60 2.15 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 0.75 0.00 0.00 0.47 0.00 0.00 19 G 8.08 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 0.00 0.00 0.00 0.00 20 D 9.00 4.40 0.00 2.73 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 *21 K 8.10 4.48 0.00 1.68 1.76 0.00 1.82 0.00 0.00 1.87 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 0.99 7.81 22 W 8.28 4.56 0.00 3.53 3.52 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 23 L 7.14 3.45 0.00 1.21 1.03 0.30 -0.50 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 24 D 8.22 4.42 0.00 2.82 2.74 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 25 D 8.10 4.49 0.00 2.93 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 26 A 8.03 4.55 1.59 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 0.00 0.00 27 G 7.76 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 28 K 7.23 4.78 0.00 1.84 1.70 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.36 1.39 7.81 29 D 8.16 4.63 0.00 2.83 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 30 S 8.96 4.61 0.00 3.87 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 31 G 8.44 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 32 A 8.58 4.86 1.48 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 0.00 0.00 0.00 33 P 0.00 4.83 0.00 2.11 2.11 0.00 3.91 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 34 I 8.25 3.83 1.88 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 1.40 1.22 0.84 0.00 0.00 35 P 0.00 4.54 0.00 1.69 1.41 0.00 3.22 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 0.51 0.92 0.00 36 D 8.71 4.69 0.00 2.87 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 37 R 7.72 4.15 0.00 1.73 1.92 0.00 3.07 0.00 0.00 3.28 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 38 I 7.46 3.62 1.78 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.54 0.69 0.00 0.00 39 A 8.06 4.02 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 40 D 8.42 4.30 0.00 2.77 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 41 K 7.72 4.15 0.00 1.84 1.86 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.68 7.81 42 L 7.94 4.58 0.00 1.82 1.97 0.54 0.90 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 43 R 7.66 4.29 0.00 1.97 1.87 0.00 3.36 0.00 0.00 3.48 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 44 D 9.07 4.64 0.00 2.87 2.83 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 0.00 0.00 0.00 45 K 7.86 4.27 0.00 1.83 1.29 0.00 1.69 0.00 0.00 1.48 0.00 0.00 2.80 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.48 7.81 46 E 8.17 4.69 0.00 1.82 1.63 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 2.08 2.36 0.00 47 F 8.65 4.91 0.00 2.93 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 48 K 9.38 4.14 0.00 1.85 1.95 0.00 1.84 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.45 7.81 49 S 7.70 5.10 0.00 4.28 4.06 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 50 F 9.23 4.27 0.00 2.93 3.16 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 51 D 8.31 4.37 0.00 2.94 2.74 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 52 D 8.28 4.40 0.00 2.97 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 53 F 8.34 3.21 0.00 2.98 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 54 R 7.94 3.36 0.00 1.55 2.00 0.00 3.21 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.77 0.00 55 K 8.32 4.29 0.00 2.04 2.00 0.00 1.85 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 1.20 7.81 56 A 7.94 4.08 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 57 V 7.11 3.03 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 -0.14 0.00 0.00 58 W 7.62 4.45 0.00 3.68 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 59 E 8.31 4.03 0.00 2.10 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 2.36 2.54 0.00 60 E 8.53 4.08 0.00 1.94 1.92 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 2.49 2.39 0.00 61 V 8.03 3.66 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 1.45 0.00 0.00 1.07 0.00 0.00 62 S 8.41 4.25 0.00 4.14 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 0.00 63 K 7.71 4.48 0.00 1.90 1.89 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.63 7.81 64 D 7.47 4.73 0.00 2.83 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 65 P 0.00 4.31 0.00 2.22 2.09 0.00 3.64 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 66 E 8.24 4.04 0.00 2.07 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 2.31 2.26 0.00 67 L 8.16 4.30 0.00 1.67 1.80 0.56 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.82 4.77 0.00 4.02 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 69 K 7.66 3.85 0.00 2.11 1.98 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.18 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.50 1.45 7.81 70 N 7.98 5.02 0.00 2.88 2.90 0.00 0.00 5.97 7.79 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 71 L 7.80 4.55 0.00 1.93 1.66 0.91 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.40 4.70 0.00 2.92 2.95 0.00 0.00 6.22 7.76 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 73 P 0.00 4.28 0.00 2.18 2.17 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 74 S 8.13 4.14 0.00 3.85 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 75 A 8.52 4.08 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 76 K 8.55 3.95 0.00 1.97 1.89 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.50 1.68 7.81 77 S 7.89 4.14 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 78 S 7.87 4.24 0.00 4.04 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 79 V 7.96 4.20 2.42 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 1.06 0.00 0.00 1.10 0.00 0.00 80 S 7.85 4.42 0.00 3.95 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 81 K 7.46 4.19 0.00 0.83 1.10 0.00 1.58 0.00 0.00 1.22 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.21 1.34 7.81 82 G 8.42 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 0.00 0.00 0.00 83 Y 7.32 4.48 0.00 3.05 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 84 S 8.08 2.79 0.00 3.51 3.39 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 85 P 0.00 4.49 0.00 2.15 2.04 0.00 2.20 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 86 F 8.81 4.59 0.00 2.86 2.99 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 0.00 0.00 0.00 87 T 8.16 4.05 3.82 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 0.19 0.00 0.00 88 P 0.00 4.32 0.00 2.33 2.02 0.00 3.56 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 2.14 2.11 0.00 89 K 8.92 3.76 0.00 1.76 1.81 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.45 7.81 90 N 8.11 4.58 0.00 2.84 2.91 0.00 0.00 5.87 7.39 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 91 Q 8.14 4.48 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.94 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 92 Q 7.69 4.52 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 93 V 8.36 4.20 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 1.06 0.00 0.00 0.91 0.00 0.00 94 G 8.37 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 0.00 0.00 0.00 95 G 8.78 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 96 R 8.22 4.25 0.00 1.96 2.03 0.00 3.06 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 97 K 8.24 4.46 0.00 1.68 1.96 0.00 1.73 0.00 0.00 2.00 0.00 0.00 3.11 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.53 1.47 7.81 98 V 6.96 4.56 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 -0.21 0.00 0.00 0.68 0.00 0.00 99 Y 8.10 4.27 0.00 2.78 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 0.00 100 E 9.55 4.87 0.00 1.96 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 2.43 0.00 101 L 8.60 5.19 0.00 1.80 1.87 0.75 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 102 H 9.36 5.02 0.00 3.07 3.17 0.00 5.60 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 H 8.61 4.91 0.00 2.92 3.32 0.00 5.90 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 9.28 4.42 0.00 2.64 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 0.00 105 K 8.98 4.25 0.00 1.77 1.74 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.39 7.81 106 P 0.00 4.48 0.00 2.19 1.94 0.00 3.65 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 107 I 8.60 4.27 1.72 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.23 0.79 0.00 0.00 108 S 8.00 4.24 0.00 3.95 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 0.00 109 Q 8.01 4.45 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.74 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 110 G 8.18 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 0.00 111 G 8.10 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.33 4.48 0.00 1.96 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 2.29 2.28 0.00 113 V 8.30 3.27 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 -0.07 0.00 0.00 0.72 0.00 0.00 114 Y 7.69 4.15 0.00 3.18 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 0.00 115 D 7.70 4.89 0.00 2.95 2.57 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 0.00 0.00 0.00 0.00 116 M 9.03 4.38 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.73 0.00 117 D 8.28 4.55 0.00 2.86 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 0.00 118 N 8.60 4.92 0.00 2.95 2.86 0.00 0.00 6.90 8.08 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 0.00 119 I 7.71 5.04 1.94 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 1.27 0.90 1.06 0.00 0.00 120 R 9.07 4.92 0.00 1.75 1.94 0.00 3.32 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.81 0.00 121 V 9.20 4.94 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 1.16 0.00 0.00 1.08 0.00 0.00 122 T 9.22 5.45 4.34 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 1.32 0.00 0.00 123 T 8.58 4.19 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 1.22 0.00 0.00 124 P 0.00 4.22 0.00 2.24 2.12 0.00 3.62 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 2.14 2.29 0.00 125 K 8.04 3.89 0.00 1.89 1.96 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.44 7.81 126 R 8.09 3.90 0.00 2.01 1.95 0.00 3.21 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 127 H 8.50 4.11 0.00 3.22 3.45 0.00 5.64 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 0.00 128 I 8.02 3.71 1.96 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 1.53 0.45 0.91 0.00 0.00 129 D 8.08 4.34 0.00 2.78 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 0.00 130 I 7.85 3.83 1.96 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 1.41 1.02 0.89 0.00 0.00 131 H 8.38 4.09 0.00 3.09 3.42 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 R 8.13 4.14 0.00 1.81 1.95 0.00 3.21 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 133 G 7.47 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 0.00 0.00 0.00 134 K 7.68 4.15 0.00 1.78 1.69 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.61 1.47 7.81 * Residues marked with a * may have inaccurate shift predictions.