NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 Q 4.2251 8.3331 119.6536 59.4389 30.8694 173.6037 8 G 3.9138 9.1177 112.7142 44.8059 0.0000 173.4622 *9 H 4.9510 9.9478 118.1921 54.4040 29.9368 174.7754 10 M 4.5526 7.9802 122.3812 56.3138 34.0370 176.8945 11 V 4.9728 7.4705 117.2864 60.5998 33.9112 175.2262 12 S 4.4297 9.1922 122.1895 57.5003 63.8274 174.9581 13 A 3.9607 8.4342 122.8002 55.2094 18.0492 178.3445 14 E 4.1708 8.1667 112.7484 56.8320 29.9323 177.4670 15 G 4.0159 8.5779 108.3059 45.7541 0.0000 173.7861 16 R 5.5368 8.2887 118.6279 53.8034 31.6861 175.3281 17 N 4.5481 8.1118 117.7334 52.8862 37.4133 175.8730 18 R 4.0272 8.7598 125.6290 58.1135 30.7777 176.4942 19 K 4.7303 7.7006 116.2863 53.9430 34.8437 176.3958 20 A 4.2059 8.3596 124.0412 52.3654 19.9803 176.5271 21 V 4.7562 8.5516 120.3099 61.1441 33.8948 174.7428 22 L 5.3206 9.0140 127.1866 52.4735 46.0021 175.4847 23 C 4.2842 8.9136 122.6086 60.1421 31.7600 175.0007 24 Q 4.1929 8.8259 124.6605 58.3194 28.7843 177.7844 25 R 4.2261 7.9888 116.1414 58.0164 30.5079 176.7126 26 C 4.6613 7.6856 108.0655 56.6558 30.8929 174.7137 27 G 3.8773 8.3636 108.4261 45.6465 0.0000 173.7018 28 S 4.1234 7.8119 114.6814 58.7021 63.5676 173.2240 29 R 4.4994 8.6061 127.1717 56.2229 30.4157 176.5823 30 V 4.4695 9.1353 127.8888 64.4657 33.0188 175.8886 31 L 5.0506 7.5744 118.7668 52.8195 45.8486 176.3408 32 Q 4.4138 8.6481 121.6801 54.9469 29.6356 174.3218 33 P 3.9785 0.0000 0.0000 63.5667 32.1207 176.4985 34 G 3.8087 9.0954 110.5715 46.7749 0.0000 174.4521 35 T 4.3282 7.8411 107.1718 60.9290 69.7398 173.4862 36 A 4.8654 7.4810 122.9384 50.8602 23.1927 174.7545 37 L 5.4458 8.8990 119.0913 52.8093 44.8286 176.1579 38 F 4.7117 9.3263 125.8273 58.3719 40.3495 174.5920 39 S 4.4572 7.5659 119.6872 56.1291 65.9053 174.1912 40 R 5.1002 8.1172 121.3959 54.9542 29.9099 175.8340 41 R 3.8962 7.5038 119.4149 57.1222 31.1947 175.1032 42 Q 4.6950 8.3513 127.2046 55.5155 30.0161 174.7990 43 L 4.3209 8.5002 125.4233 52.7570 46.3988 175.0906 44 F 4.8402 8.5876 125.5003 57.4221 40.4072 174.5111 45 L 4.7301 7.9738 126.6606 52.0254 43.9060 174.3927 46 P 4.4037 0.0000 0.0000 62.7579 32.0152 176.5835 47 S 4.0654 8.6340 118.9615 59.0117 64.0373 175.0512 48 M 4.8481 8.5121 123.0784 55.4202 31.5433 176.9554 49 R 4.2819 8.0087 116.0567 57.0476 33.5717 176.6358 50 K 3.7457 8.3157 120.4808 55.4509 30.5054 175.8919 *61 D 4.4618 8.0433 117.1218 54.6211 42.4080 175.1955 62 G 3.8507 7.5899 114.0104 45.4628 0.0000 170.0590 63 D 4.9470 7.2650 118.1371 52.2614 44.7061 175.7899 64 L 4.7163 8.6578 122.5528 54.3870 42.2592 176.0112 65 L 4.8164 8.8704 125.2804 52.3455 44.8094 176.9936 66 Q 5.2329 8.1329 119.8166 54.8729 29.9562 174.2303 67 E 4.7188 7.8609 118.6700 56.0848 33.3677 174.6574 68 H 5.2067 8.6546 121.0703 53.8440 34.1973 172.4401 69 W 5.3263 9.3805 121.1003 55.8231 30.6975 175.1957 70 L 4.7128 9.5585 128.5942 53.8134 43.1640 175.1941 71 V 4.6997 8.8822 127.0480 61.1039 34.1801 175.6850 72 E 5.2594 8.7169 123.0099 55.8134 30.7317 174.9050 73 D 4.9034 7.5725 118.9908 53.1086 43.9789 175.5561 74 M 3.4537 8.1712 123.4764 58.1366 31.0170 177.7714 75 F 4.6903 7.6334 115.5522 58.4054 39.3358 176.5220 76 I 3.8665 7.6422 122.3417 63.7588 37.1479 177.0551 77 F 4.0550 7.2781 117.7360 58.1308 39.3484 174.9123 78 E 4.2167 9.3186 127.4879 59.0681 30.2317 176.8745 79 N 5.1931 8.0140 116.6761 52.0074 43.1040 173.8483 80 V 4.4885 8.3772 121.4850 60.7790 34.1181 172.7762 81 G 4.2665 9.0033 109.5060 44.6132 0.0000 172.1188 82 F 5.3210 8.6613 120.6256 55.2868 41.0912 175.8793 83 T 4.2675 8.7682 114.3648 61.1764 69.5735 174.3377 84 K 4.1976 8.6628 121.8003 56.4752 32.9777 176.6905 85 D 4.4714 8.6478 121.6122 54.6016 41.4302 176.9041 86 V 4.2440 8.9409 123.6395 61.5002 33.0152 176.5432 87 G 3.7361 8.0689 119.6376 47.2010 0.0000 172.2118 88 N 4.7239 8.6867 121.9452 52.6850 38.7021 173.4018 89 I 4.3673 7.3817 120.0330 59.5031 39.6840 174.7965 90 K 4.6824 8.1058 124.6377 54.6029 35.2391 175.6538 91 F 4.9196 8.8964 123.4265 56.7486 41.0422 174.6593 92 L 4.6804 8.4878 121.3382 53.4741 43.9270 176.1218 93 V 4.8625 8.3310 114.9474 59.1588 37.0150 174.3266 94 C 4.4063 8.6806 122.3944 59.5464 31.6320 174.6009 95 A 4.0417 8.8459 129.1029 55.1064 18.4920 178.2579 96 D 4.5652 8.1899 114.6812 56.6379 41.7417 177.2799 97 C 4.4218 7.8950 111.1168 57.2381 30.6137 174.2570 98 E 3.8048 8.1193 118.4126 57.1949 27.5439 174.4030 99 I 3.9194 7.2992 119.9217 60.6273 38.0626 176.0312 100 G 4.0104 7.8055 110.8212 45.0276 0.0000 169.8560 101 P 4.8189 0.0000 0.0000 62.7386 31.6697 176.6177 102 I 4.2540 8.7776 116.5699 61.7461 39.5224 175.1212 103 G 4.7446 7.6703 108.5441 46.5205 0.0000 171.3588 104 W 5.4312 9.1798 128.0752 56.6728 34.7768 173.7274 105 H 4.9805 8.2061 125.4691 54.6768 33.5715 171.1636 106 C 4.3712 7.7269 125.0530 57.2183 32.7624 174.2606 107 L 3.8549 8.4728 127.3289 57.7536 41.1928 178.6841 108 D 4.3551 8.1382 117.4212 56.1713 40.6589 176.0401 109 D 4.7966 7.6855 119.9813 51.8551 40.3181 176.7900 110 K 4.0976 8.4279 123.6902 58.3565 32.6618 177.5361 111 N 5.5815 7.9223 116.0357 51.5817 38.5789 174.4682 112 S 4.8484 7.5927 114.5199 58.0371 66.5311 173.7225 113 F 5.0231 9.1580 123.5763 55.8016 42.9090 173.6508 114 Y 5.3380 9.5912 121.0986 56.2842 40.9372 174.6617 115 V 4.8987 9.2197 124.6587 61.0912 33.9993 174.4638 116 A 4.6091 9.0391 130.8403 51.5768 19.2029 178.3186 117 L 4.1218 8.6378 123.4454 57.9465 41.9425 179.6518 118 E 4.0820 8.2009 116.5134 58.6103 29.4502 177.6210 119 R 4.4741 7.8235 115.7084 56.0067 30.7313 175.3536 120 V 4.6880 7.5964 110.1397 59.9430 36.1128 174.1814 121 S 4.9761 9.1526 116.6557 57.3037 66.9380 173.3147 122 H 5.1645 8.7080 117.0454 54.1595 32.3060 173.4547 123 E 4.3261 9.0462 123.2819 56.3158 29.9272 175.2721 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 7 Q 8.33 4.23 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 5.93 0.00 0.00 0.00 0.00 0.00 2.08 2.22 0.00 8 G 9.12 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 0.00 0.00 0.00 *9 H 9.95 4.95 0.00 2.92 2.91 0.00 7.17 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 10 M 7.98 4.55 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.44 0.00 11 V 7.47 4.97 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 1.00 0.00 0.00 0.66 0.00 0.00 12 S 9.19 4.43 0.00 4.19 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 13 A 8.43 3.96 1.32 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 14 E 8.17 4.17 0.00 1.98 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 2.32 2.38 0.00 15 G 8.58 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 16 R 8.29 5.54 0.00 1.88 1.82 0.00 3.13 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.54 0.00 17 N 8.11 4.55 0.00 1.55 1.42 0.00 0.00 5.60 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 18 R 8.76 4.03 0.00 1.87 2.13 0.00 3.38 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 19 K 7.70 4.73 0.00 1.71 1.85 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.43 7.81 20 A 8.36 4.21 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 21 V 8.55 4.76 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 0.95 0.00 0.00 0.70 0.00 0.00 22 L 9.01 5.32 0.00 1.71 1.50 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 23 C 8.91 4.28 0.00 2.99 2.91 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 24 Q 8.83 4.19 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 25 R 7.99 4.23 0.00 1.80 1.98 0.00 3.31 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 26 C 7.69 4.66 0.00 3.02 2.97 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 27 G 8.36 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 0.00 0.00 0.00 28 S 7.81 4.12 0.00 4.06 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 29 R 8.61 4.50 0.00 1.94 1.82 0.00 3.22 0.00 0.00 3.45 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 30 V 9.14 4.47 2.26 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 1.52 0.00 0.00 0.99 0.00 0.00 31 L 7.57 5.05 0.00 1.45 1.29 0.87 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.65 4.41 0.00 1.87 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.31 0.00 33 P 0.00 3.98 0.00 1.87 2.15 0.00 3.72 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 1.98 2.15 0.00 34 G 9.10 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 35 T 7.84 4.33 4.07 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 1.16 0.00 0.00 36 A 7.48 4.87 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 37 L 8.90 5.45 0.00 1.67 1.68 0.96 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 38 F 9.33 4.71 0.00 3.13 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 39 S 7.57 4.46 0.00 3.90 3.72 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 40 R 8.12 5.10 0.00 1.94 1.87 0.00 2.71 0.00 0.00 3.87 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 41 R 7.50 3.90 0.00 1.78 1.53 0.00 2.96 0.00 0.00 2.50 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.35 0.00 42 Q 8.35 4.70 0.00 2.02 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.49 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 43 L 8.50 4.32 0.00 1.11 0.60 -0.25 -1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 44 F 8.59 4.84 0.00 2.99 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 45 L 7.97 4.73 0.00 1.48 1.43 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.40 0.00 1.57 1.88 0.00 3.37 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 1.55 2.25 0.00 47 S 8.63 4.07 0.00 3.80 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 48 M 8.51 4.85 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 49 R 8.01 4.28 0.00 1.80 1.62 0.00 3.40 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.35 0.00 50 K 8.32 3.75 0.00 1.94 1.64 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.70 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.25 0.98 7.81 *61 D 8.04 4.46 0.00 2.77 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.59 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 63 D 7.26 4.95 0.00 2.41 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.66 4.72 0.00 1.56 1.65 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.87 4.82 0.00 1.51 1.41 0.87 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 8.13 5.23 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.86 0.00 0.00 0.00 0.00 0.00 2.24 2.15 0.00 67 E 7.86 4.72 0.00 1.76 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.26 0.00 68 H 8.65 5.21 0.00 3.05 3.36 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 69 W 9.38 5.33 0.00 3.38 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 70 L 9.56 4.71 0.00 1.65 1.72 0.33 0.36 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 71 V 8.88 4.70 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 0.40 0.00 0.00 0.64 0.00 0.00 72 E 8.72 5.26 0.00 2.22 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 2.25 0.00 73 D 7.57 4.90 0.00 2.77 2.48 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 74 M 8.17 3.45 0.00 1.28 1.61 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.56 0.00 75 F 7.63 4.69 0.00 3.24 3.11 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 0.00 0.00 0.00 0.00 76 I 7.64 3.87 1.74 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.43 0.74 0.00 0.00 77 F 7.28 4.06 0.00 3.24 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 78 E 9.32 4.22 0.00 1.95 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 2.33 2.36 0.00 79 N 8.01 5.19 0.00 2.91 2.67 0.00 0.00 6.66 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 80 V 8.38 4.49 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 0.02 0.00 0.00 0.44 0.00 0.00 81 G 9.00 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 0.00 0.00 0.00 82 F 8.66 5.32 0.00 2.82 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 83 T 8.77 4.27 4.36 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 1.36 0.00 0.00 84 K 8.66 4.20 0.00 1.71 1.83 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.53 7.81 85 D 8.65 4.47 0.00 2.66 2.79 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 86 V 8.94 4.24 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 1.14 0.00 0.00 1.18 0.00 0.00 87 G 8.07 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 88 N 8.69 4.72 0.00 2.75 2.68 0.00 0.00 6.75 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 89 I 7.38 4.37 1.63 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.63 -0.52 0.00 0.00 90 K 8.11 4.68 0.00 1.79 1.86 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.75 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.33 7.81 91 F 8.90 4.92 0.00 3.08 2.95 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 92 L 8.49 4.68 0.00 1.64 1.24 0.63 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.33 4.86 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.90 0.00 0.00 94 C 8.68 4.41 0.00 3.02 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.85 4.04 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 96 D 8.19 4.57 0.00 2.68 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 97 C 7.90 4.42 0.00 3.08 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 98 E 8.12 3.80 0.00 2.18 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 0.00 2.24 2.26 0.00 99 I 7.30 3.92 1.86 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 1.22 1.05 0.90 0.00 0.00 100 G 7.81 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 0.00 101 P 0.00 4.82 0.00 2.05 2.12 0.00 3.68 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 102 I 8.78 4.25 1.93 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 1.24 0.74 0.98 0.00 0.00 103 G 7.67 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 0.00 104 W 9.18 5.43 0.00 3.45 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 0.00 105 H 8.21 4.98 0.00 3.35 3.17 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 C 7.73 4.37 0.00 2.41 2.55 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 0.00 107 L 8.47 3.85 0.00 1.46 1.62 0.84 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.14 4.36 0.00 2.61 2.70 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 0.00 109 D 7.69 4.80 0.00 2.69 2.59 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 0.00 110 K 8.43 4.10 0.00 1.76 1.92 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.42 7.81 111 N 7.92 5.58 0.00 2.93 3.03 0.00 0.00 6.48 7.64 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 0.00 112 S 7.59 4.85 0.00 3.75 3.72 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 0.00 113 F 9.16 5.02 0.00 3.23 3.27 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 0.00 114 Y 9.59 5.34 0.00 3.21 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 0.00 115 V 9.22 4.90 2.50 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 1.24 0.00 0.00 1.38 0.00 0.00 116 A 9.04 4.61 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 0.00 117 L 8.64 4.12 0.00 1.73 1.78 0.12 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.20 4.08 0.00 1.93 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 2.31 2.32 0.00 119 R 7.82 4.47 0.00 1.98 1.97 0.00 3.35 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 120 V 7.60 4.69 2.26 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 0.77 0.00 0.00 1.17 0.00 0.00 121 S 9.15 4.98 0.00 3.70 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 0.00 122 H 8.71 5.16 0.00 3.03 3.25 0.00 5.83 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 9.05 4.33 0.00 2.02 1.72 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 2.19 2.23 0.00 * Residues marked with a * may have inaccurate shift predictions.