NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.0669 8.2644 123.5857 50.1662 19.9430 178.0717 2 K 3.4219 9.0233 132.0260 58.2727 30.6515 172.9161 3 Q 3.9892 8.6659 127.3326 59.4146 29.1388 179.1394 4 S 4.1064 8.1723 114.2658 61.7808 62.7432 176.4123 5 M 4.0586 7.7952 121.3464 57.8435 32.0866 178.2077 6 K 3.8421 8.5875 118.8315 59.7003 32.3786 178.9929 7 A 3.9649 8.1911 120.5934 55.3269 18.1478 179.3911 8 R 3.8554 7.4167 115.2574 59.7702 30.2111 177.9029 9 E 4.0904 8.2739 118.9260 59.0477 29.7630 178.4402 10 V 3.6042 7.8192 118.3181 66.1875 31.3531 178.2391 11 K 3.9581 7.9476 117.4151 59.5290 31.8298 179.3019 12 R 4.1415 7.6951 115.8697 57.9703 30.2761 178.2122 13 V 4.0568 7.5292 118.0028 65.0168 32.3469 177.3042 14 A 4.2495 8.2176 121.5255 54.4667 18.1428 179.1018 15 L 3.8096 7.8510 117.5360 59.2442 40.2204 179.6305 16 A 4.4937 8.1537 121.1771 54.9900 18.0894 178.7076 17 D 4.6381 8.0547 114.3977 55.9553 40.4402 176.9707 18 K 4.4940 7.7079 115.7116 57.5159 35.3411 177.0925 19 Y 4.3810 7.5038 117.3119 61.7402 38.5143 179.3923 20 F 4.5465 7.7171 117.1816 59.8896 39.3249 177.3124 21 A 4.1216 7.8451 123.0859 54.4851 18.6662 176.7320 22 K 4.3158 7.9010 121.1284 56.1616 38.4186 176.8276 23 R 4.1134 7.5120 116.7753 58.0564 29.5758 177.8575 24 A 4.1699 8.0909 119.6718 55.4107 18.8678 178.4074 25 E 4.3196 8.2868 115.1358 57.6602 30.1750 177.8378 26 L 4.1494 7.4637 121.0626 56.8775 42.2398 177.1318 27 K 4.5003 7.8280 114.4228 57.1473 34.7311 178.1675 28 A 4.0742 7.9217 122.3315 54.7630 18.4052 179.5794 29 I 3.3827 7.8305 114.6301 64.5676 37.1623 177.0860 30 I 4.0903 7.3097 118.3338 61.6453 37.0565 176.3603 31 S 4.4706 8.8364 119.0525 59.3916 63.9565 173.9191 32 D 4.6837 7.5926 117.4791 51.8825 42.5992 174.8161 33 V 3.6198 7.3559 123.1349 63.6659 30.7774 175.5017 34 N 4.9460 8.1546 124.4217 52.5531 40.2307 175.1203 35 A 3.7475 7.8303 120.4768 52.0869 19.0161 178.5331 *40 R 3.4931 8.2576 118.7351 55.8840 30.7904 175.0370 41 W 5.4873 7.7645 125.5051 55.5363 31.7878 175.0905 42 N 5.0112 8.7308 111.6534 52.7138 40.8911 176.1479 43 A 4.0012 8.5767 120.6141 55.4578 18.0370 179.5620 44 V 3.5393 7.8118 114.2442 66.3096 31.7912 177.8759 45 L 4.1282 7.8986 116.7455 57.1580 41.6308 179.0930 46 K 4.1531 8.5478 120.2265 59.0312 32.1361 178.9765 47 L 4.4974 8.3614 119.4706 55.4833 41.7874 177.6374 48 Q 4.3399 7.8851 120.4276 54.9864 27.1665 175.4447 49 T 4.7022 7.5617 123.7546 62.7207 70.2387 174.9001 50 L 4.0386 7.4319 121.0425 55.8586 43.1093 174.9194 51 P 4.8542 0.0000 0.0000 60.6564 30.1110 174.5531 52 R 4.1102 7.5917 126.2217 58.0913 30.9786 176.4509 53 D 4.5973 8.4843 120.4703 55.2832 42.3739 175.7210 54 S 4.9936 7.8024 114.9114 57.2829 64.8534 173.4493 55 S 4.7818 8.5344 117.2194 56.7747 65.1911 173.6289 56 P 4.8431 0.0000 0.0000 63.2608 30.7448 176.5243 57 S 4.6159 7.8611 112.1906 58.3274 64.3087 174.4175 58 R 4.5066 8.0202 114.8793 55.7731 29.8849 175.2710 59 Q 4.3657 7.7998 119.1089 54.7679 29.7304 175.8186 60 R 4.6131 8.7244 120.5990 55.1118 30.8072 174.8229 61 N 4.1826 7.6718 114.1050 51.0806 39.7262 171.7898 62 R 4.7732 7.5772 123.9768 55.9442 30.3415 175.1402 63 C 4.0147 8.8577 122.0084 59.9164 31.4695 174.1641 64 R 4.0075 9.5249 128.2453 59.7733 29.9116 177.9961 65 Q 4.1109 8.2665 116.8055 59.0303 29.6537 176.7945 66 T 3.9960 8.0713 106.8444 60.7702 68.2700 175.2664 67 G 4.9539 8.3732 121.7678 45.6538 0.0000 172.1405 68 R 4.0734 7.5698 122.2157 55.1798 30.0979 175.3518 69 P 4.7588 0.0000 0.0000 63.2208 30.9649 175.5192 70 H 4.7718 7.6980 113.8950 55.8209 33.2307 172.8381 71 G 3.8916 8.5587 107.1576 46.7093 0.0000 173.0870 72 F 4.9786 7.9540 118.7471 56.5312 41.6634 174.6322 73 L 4.5827 6.2450 123.6311 52.6316 44.0641 177.4157 74 R 4.1795 9.0363 124.5983 59.4589 30.0224 177.6785 75 K 3.8222 7.9300 116.4890 58.2167 33.5124 176.5968 76 F 4.6422 9.3745 113.0963 56.4980 39.8336 176.2982 77 G 4.7387 8.4256 135.0000 46.9813 0.0000 172.6039 78 L 4.8803 6.9911 120.6893 53.7218 44.0638 175.1680 79 S 5.6565 8.2138 116.3376 56.3919 66.4182 175.8531 80 R 3.8417 8.2327 120.6039 59.8546 29.0960 178.1515 81 I 3.6345 7.8137 113.7725 63.5095 37.2188 177.8570 82 K 4.6723 7.8425 121.4855 58.7380 32.0442 178.7019 83 V 3.4208 7.6893 117.2300 66.4899 31.1677 177.5955 84 R 3.8816 8.0402 117.2325 59.7128 29.7166 178.1150 85 E 3.8351 8.3853 118.7311 59.3887 29.4450 178.8883 86 A 3.7468 8.9622 121.1288 55.2399 18.3411 179.1548 87 A 3.8107 8.3152 118.6431 55.8055 18.3416 179.2468 88 M 4.0885 7.8674 116.0515 58.8255 32.1438 179.0138 89 R 4.1370 7.0845 116.4867 59.8671 30.2243 177.4492 90 G 3.9552 7.8410 108.4664 46.2022 0.0000 174.4041 91 E 4.4735 8.2861 117.2874 55.7590 29.4807 176.6094 92 I 4.4971 7.2970 119.1084 58.6507 40.0343 173.4576 93 P 4.1383 0.0000 0.0000 63.7812 31.8287 176.5590 94 G 3.8580 8.7880 112.5843 46.1398 0.0000 173.3736 95 L 4.7853 7.2219 120.5225 53.8632 42.8283 176.1997 96 K 4.0915 7.7477 117.6423 55.9081 33.8674 176.8878 97 K 3.6440 8.5845 121.9563 56.6205 32.2157 176.4285 98 A 3.8000 8.3233 129.5502 52.5117 18.8404 177.3175 99 S 4.4125 7.1437 109.5529 57.0719 63.7903 176.2555 100 W 4.4082 7.4934 127.9501 57.8918 28.7439 176.1666 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 A 8.26 4.07 0.97 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 0.00 0.00 2 K 9.02 3.42 0.00 2.02 1.79 0.00 1.86 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.53 7.81 3 Q 8.67 3.99 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.63 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 4 S 8.17 4.11 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 5 M 7.80 4.06 0.00 2.06 2.38 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.57 0.00 6 K 8.59 3.84 0.00 1.88 1.90 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.76 7.81 7 A 8.19 3.96 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 8 R 7.42 3.86 0.00 2.06 2.10 0.00 3.27 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 9 E 8.27 4.09 0.00 2.09 2.12 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 2.30 2.31 0.00 10 V 7.82 3.60 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 0.98 0.00 0.00 0.99 0.00 0.00 11 K 7.95 3.96 0.00 1.84 1.85 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.68 1.64 7.81 12 R 7.70 4.14 0.00 1.99 2.03 0.00 3.35 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.81 0.00 13 V 7.53 4.06 2.20 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 1.05 0.00 0.00 1.00 0.00 0.00 14 A 8.22 4.25 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 15 L 7.85 3.81 0.00 1.96 1.97 1.21 1.29 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 16 A 8.15 4.49 1.64 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 17 D 8.05 4.64 0.00 2.90 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 18 K 7.71 4.49 0.00 1.45 1.24 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.15 7.81 19 Y 7.50 4.38 0.00 2.60 2.43 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 20 F 7.72 4.55 0.00 3.35 3.05 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 21 A 7.85 4.12 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 22 K 7.90 4.32 0.00 1.74 1.74 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.26 1.28 7.81 23 R 7.51 4.11 0.00 2.01 2.15 0.00 3.23 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 24 A 8.09 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.29 4.32 0.00 2.28 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 2.26 2.64 0.00 26 L 7.46 4.15 0.00 1.65 1.88 0.94 0.56 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 27 K 7.83 4.50 0.00 1.97 1.98 0.00 1.47 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.64 7.81 28 A 7.92 4.07 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 29 I 7.83 3.38 1.84 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 1.40 0.81 0.87 0.00 0.00 30 I 7.31 4.09 1.98 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 1.27 0.28 0.85 0.00 0.00 31 S 8.84 4.47 0.00 3.94 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 32 D 7.59 4.68 0.00 2.59 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 33 V 7.36 3.62 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 0.78 0.00 0.00 0.91 0.00 0.00 34 N 8.15 4.95 0.00 2.84 2.63 0.00 0.00 7.13 7.35 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 35 A 7.83 3.75 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 0.00 0.00 0.00 0.00 0.00 *40 R 8.26 3.49 0.00 1.64 1.83 0.00 3.09 0.00 0.00 3.41 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.60 0.00 41 W 7.76 5.49 0.00 3.28 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.73 5.01 0.00 2.85 2.82 0.00 0.00 6.71 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 43 A 8.58 4.00 1.37 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 44 V 7.81 3.54 2.13 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 0.93 0.00 0.00 1.01 0.00 0.00 45 L 7.90 4.13 0.00 1.83 1.74 0.99 0.90 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 46 K 8.55 4.15 0.00 2.04 1.79 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.59 7.81 47 L 8.36 4.50 0.00 1.65 1.64 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 7.89 4.34 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.76 7.20 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 49 T 7.56 4.70 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 1.19 0.00 0.00 50 L 7.43 4.04 0.00 1.33 1.41 0.63 0.34 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 51 P 0.00 4.85 0.00 2.49 2.01 0.00 3.30 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 52 R 7.59 4.11 0.00 1.88 1.74 0.00 3.23 0.00 0.00 3.26 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 53 D 8.48 4.60 0.00 2.69 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 54 S 7.80 4.99 0.00 3.95 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 55 S 8.53 4.78 0.00 4.00 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 56 P 0.00 4.84 0.00 1.93 1.57 0.00 2.84 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.42 0.00 57 S 7.86 4.62 0.00 3.80 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 58 R 8.02 4.51 0.00 1.92 1.99 0.00 3.18 0.00 0.00 3.49 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.58 0.00 59 Q 7.80 4.37 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 60 R 8.72 4.61 0.00 1.84 1.91 0.00 3.20 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.71 0.00 61 N 7.67 4.18 0.00 2.12 1.55 0.00 0.00 6.94 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 62 R 7.58 4.77 0.00 2.01 2.06 0.00 3.31 0.00 0.00 4.01 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 63 C 8.86 4.01 0.00 3.04 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 64 R 9.52 4.01 0.00 1.82 2.08 0.00 3.31 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.90 0.00 65 Q 8.27 4.11 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.00 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 66 T 8.07 4.00 4.26 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 1.21 0.00 0.00 67 G 8.37 4.95 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 68 R 7.57 4.07 0.00 1.90 1.90 0.00 3.22 0.00 0.00 3.70 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.65 0.00 69 P 0.00 4.76 0.00 2.27 2.15 0.00 3.83 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 70 H 7.70 4.77 0.00 3.12 3.23 0.00 5.84 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 71 G 8.56 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 0.00 0.00 0.00 72 F 7.95 4.98 0.00 3.04 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 73 L 6.24 4.58 0.00 1.82 1.55 0.95 1.03 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 74 R 9.04 4.18 0.00 1.92 2.00 0.00 3.29 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 75 K 7.93 3.82 0.00 1.46 1.23 0.00 1.45 0.00 0.00 1.52 0.00 0.00 2.91 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.86 0.82 7.81 76 F 9.37 4.64 0.00 2.97 2.54 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 77 G 8.43 4.74 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 78 L 6.99 4.88 0.00 1.60 1.57 0.83 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.21 5.66 0.00 3.87 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 0.00 80 R 8.23 3.84 0.00 2.03 2.20 0.00 2.98 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 81 I 7.81 3.63 1.85 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 1.64 0.93 0.90 0.00 0.00 82 K 7.84 4.67 0.00 1.73 1.84 0.00 1.97 0.00 0.00 2.11 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.29 7.81 83 V 7.69 3.42 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 0.35 0.00 0.00 0.71 0.00 0.00 84 R 8.04 3.88 0.00 1.89 2.03 0.00 3.14 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 85 E 8.39 3.84 0.00 1.98 2.28 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 2.27 2.46 0.00 86 A 8.96 3.75 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 87 A 8.32 3.81 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 88 M 7.87 4.09 0.00 1.96 2.34 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.93 0.00 89 R 7.08 4.14 0.00 1.72 1.96 0.00 3.12 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 90 G 7.84 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 91 E 8.29 4.47 0.00 1.92 1.95 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 2.26 2.28 0.00 92 I 7.30 4.50 1.84 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.49 1.11 0.00 0.00 93 P 0.00 4.14 0.00 2.19 2.09 0.00 3.97 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 2.03 1.99 0.00 94 G 8.79 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 95 L 7.22 4.79 0.00 1.61 1.56 1.17 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 96 K 7.75 4.09 0.00 1.85 1.76 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.70 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.35 1.34 7.81 97 K 8.58 3.64 0.00 1.68 1.73 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.35 7.81 98 A 8.32 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.14 4.41 0.00 3.84 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 0.00 100 W 7.49 4.41 0.00 3.30 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 * Residues marked with a * may have inaccurate shift predictions.