NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1380 8.2649 123.5838 50.1097 21.0288 173.3788 2 K 3.5422 7.9502 121.1187 54.9589 32.0576 174.5747 3 Q 3.9290 8.6093 125.8141 59.4087 30.0514 177.4097 4 S 4.0653 8.1836 114.4544 62.4480 62.7869 176.1951 5 M 4.0212 7.9918 122.2112 57.4060 31.3321 178.1057 6 K 3.7617 8.3850 119.7553 60.0580 32.2738 178.5444 7 A 3.7930 8.2402 120.5254 54.9293 18.3944 179.2155 8 R 3.7853 8.0382 117.3790 59.8939 29.8576 178.0188 9 E 3.9016 8.0743 118.2031 59.4300 29.5610 178.7184 10 V 3.5790 7.3523 117.8709 66.6019 31.4896 177.5856 11 K 4.0315 8.1445 118.2423 59.1609 31.7771 179.0269 12 R 4.0108 7.8779 117.5483 60.2677 30.2668 178.4164 13 V 3.5634 7.7535 117.6017 65.5480 31.2834 177.4546 14 A 4.1981 7.9614 120.9667 54.6389 18.4987 179.3211 15 L 3.8212 7.7402 116.4979 58.0864 41.7426 179.5295 16 A 4.8532 8.1112 121.7532 55.3311 18.0313 179.0728 17 D 4.3689 8.1604 116.8967 57.1128 40.6884 178.8593 18 K 3.9511 8.1259 119.2679 57.9835 32.6066 177.9239 19 Y 4.0531 8.7622 114.9741 58.5177 36.9231 178.0232 20 F 4.6612 5.4600 127.2328 61.5573 39.8734 177.8023 21 A 4.1052 8.0905 121.9941 54.6475 18.0857 178.0969 22 K 4.9835 8.9979 112.0022 55.0742 33.6832 176.7916 23 R 4.5513 7.6754 116.0113 55.1788 32.5289 177.1423 24 A 4.3032 10.0513 120.0886 54.5126 18.0860 178.9797 25 E 3.9133 8.5387 116.2394 59.7857 29.1431 179.0767 26 L 3.8670 7.7051 121.3458 58.7387 40.8979 178.0315 27 K 3.8795 8.4424 118.0378 59.6791 31.8427 178.2195 28 A 4.2835 8.0400 125.5196 53.2794 18.8076 178.4198 29 I 3.5699 7.9419 117.2859 63.6095 35.9289 177.5559 30 I 3.7605 5.4200 128.4494 65.1693 38.6187 178.6515 31 S 4.8403 7.4358 115.0139 57.5300 61.0838 172.1444 32 D 4.4139 7.2086 118.1344 53.2859 44.2222 174.1697 33 V 3.8528 8.2234 120.7943 62.9402 30.1458 173.4302 34 N 4.5852 7.8134 129.0598 52.6015 44.9827 175.5027 35 A 4.0170 8.1830 123.0567 53.1021 20.2760 177.9315 *40 R 4.8088 7.6260 114.5309 56.0019 30.4873 174.1730 41 W 5.2931 8.6338 134.4017 55.2440 34.0005 174.9657 42 N 4.5125 8.5982 122.7188 56.4732 38.6819 177.1260 43 A 4.0181 7.7498 121.9714 55.1206 17.9990 179.7689 44 V 3.7705 7.9909 116.9437 64.4677 31.3556 177.6961 45 L 4.2205 7.8985 119.6531 56.7133 42.0653 177.7526 46 K 4.3459 7.8312 116.7193 57.9599 32.8870 177.9730 47 L 4.1445 7.5258 120.4199 58.0338 41.8390 178.6202 48 Q 4.4543 8.2986 115.5674 58.0695 28.8451 177.5348 49 T 4.2372 7.6832 117.6964 63.1188 67.2147 172.1622 50 L 4.3584 7.8719 132.8087 55.1493 46.7692 173.9122 51 P 3.9316 0.0000 0.0000 65.1456 31.5884 175.5858 52 R 3.9645 7.6525 120.0316 56.7446 29.5831 176.4168 53 D 4.6715 8.2327 116.4153 55.7606 41.3336 177.0394 54 S 4.6138 7.8402 113.7907 58.5772 62.9318 174.0571 55 S 4.6917 8.2374 116.3400 58.4715 63.1644 172.7316 56 P 4.4398 0.0000 0.0000 65.9270 31.5575 177.4595 57 S 5.0544 7.7811 114.5910 59.1038 62.6446 174.7934 58 R 4.5688 7.7531 118.1238 56.0769 32.5753 176.7363 59 Q 4.4164 7.4885 116.3356 55.7055 29.1908 175.8256 60 R 4.4102 9.1516 116.8676 56.3845 29.2415 178.5768 61 N 3.4748 8.5506 112.8492 51.2304 38.9926 172.4388 62 R 4.4037 7.3212 121.5709 55.8178 30.1334 176.0864 63 C 4.2827 8.5505 120.8668 59.7027 31.9793 173.7221 64 R 3.9359 8.6637 128.5728 59.8588 29.6412 177.1790 65 Q 4.1625 8.0518 117.3948 58.8568 30.9398 177.3489 66 T 4.1555 8.0534 106.4153 61.6118 67.2695 175.1837 67 G 4.5156 8.9257 106.0009 45.2174 0.0000 173.2737 68 R 3.9587 7.7067 120.3207 55.4455 29.9132 176.0097 69 P 4.3686 0.0000 0.0000 65.1175 33.2437 176.8125 70 H 4.5464 8.4798 113.9895 56.2608 26.9473 176.9801 71 G 4.2122 8.7796 124.2478 45.4547 0.0000 172.4353 72 F 5.5156 8.5814 127.7546 56.2158 43.4767 174.3002 73 L 4.3674 6.6274 120.7587 53.2327 44.4446 177.1891 74 R 4.0525 8.9619 123.9777 59.3191 29.7749 177.9626 75 K 3.4952 7.5343 115.9532 60.0924 32.2383 177.4056 76 F 4.2553 7.2650 118.1220 58.4895 39.6135 177.1045 77 G 3.7086 9.1969 108.9137 45.4346 0.0000 172.3570 78 L 4.9668 7.1649 118.7170 51.9348 45.4473 175.8975 79 S 5.4233 8.4882 113.9453 57.2520 63.6419 175.3773 80 R 3.9642 8.5218 117.2811 59.0758 28.7375 178.9131 81 I 3.6910 7.5770 120.0902 64.0866 37.7043 177.9581 82 K 3.8590 7.5691 117.8101 59.6488 31.7245 179.2209 83 V 3.3046 7.6417 118.1952 65.6646 31.1869 177.6177 84 R 3.7561 7.1890 117.7434 60.1436 30.2540 177.4122 85 E 3.8094 8.3769 118.0051 60.1420 29.4781 178.6862 86 A 3.9745 8.2966 119.8708 55.0521 18.4065 179.3123 87 A 3.9893 7.9839 118.5036 54.6983 18.5809 179.4320 88 M 4.1912 7.9120 117.7614 58.2046 32.0789 178.5614 89 R 3.9696 7.7601 112.9277 56.2727 29.9560 176.4632 90 G 3.8771 7.6841 105.6287 46.9571 0.0000 174.8041 91 E 4.3307 8.1701 117.7919 56.1648 30.3049 176.7514 92 I 4.5304 7.3370 120.1350 58.3313 39.7690 173.6051 93 P 4.3377 0.0000 0.0000 63.5511 31.8685 178.1131 94 G 3.9126 8.6408 106.5160 46.2985 0.0000 173.1704 95 L 4.4494 7.8742 122.3749 53.7263 42.7530 175.6102 96 K 4.4306 8.2991 123.3281 55.2222 35.1086 174.6767 97 K 3.7348 8.7194 118.8170 56.7054 31.7205 176.9598 98 A 4.4077 8.4960 126.9482 52.1784 19.1984 176.4224 99 S 4.5832 7.9934 112.0045 57.6691 65.1165 176.2597 100 W 4.0396 8.1711 118.0171 57.5768 27.2133 174.2339 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 4.14 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 2 K 7.95 3.54 0.00 2.04 1.83 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.43 7.81 3 Q 8.61 3.93 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 4 S 8.18 4.07 0.00 4.08 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 5 M 7.99 4.02 0.00 2.03 2.16 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 2.68 2.54 0.00 6 K 8.38 3.76 0.00 2.04 1.88 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.49 7.81 7 A 8.24 3.79 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 8 R 8.04 3.79 0.00 2.12 2.15 0.00 3.09 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 9 E 8.07 3.90 0.00 2.13 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 0.00 2.28 2.34 0.00 10 V 7.35 3.58 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 0.98 0.00 0.00 0.93 0.00 0.00 11 K 8.14 4.03 0.00 1.92 1.76 0.00 1.75 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.68 1.61 7.81 12 R 7.88 4.01 0.00 1.98 2.12 0.00 3.13 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.66 0.00 13 V 7.75 3.56 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 1.02 0.00 0.00 0.96 0.00 0.00 14 A 7.96 4.20 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 15 L 7.74 3.82 0.00 1.80 1.62 0.86 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.11 4.85 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 4.37 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 18 K 8.13 3.95 0.00 1.82 2.02 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.77 7.81 19 Y 8.76 4.05 0.00 3.09 2.38 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 0.00 0.00 0.00 0.00 20 F 5.46 4.66 0.00 3.44 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 21 A 8.09 4.11 1.45 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 0.00 0.00 22 K 9.00 4.98 0.00 1.63 1.77 0.00 1.63 0.00 0.00 1.55 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.48 7.81 23 R 7.68 4.55 0.00 1.82 1.83 0.00 2.55 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.23 0.00 24 A 10.05 4.30 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 25 E 8.54 3.91 0.00 2.17 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 0.00 2.39 2.34 0.00 26 L 7.71 3.87 0.00 1.75 1.92 1.06 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.44 3.88 0.00 2.03 1.90 0.00 1.35 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.77 1.54 7.81 28 A 8.04 4.28 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 29 I 7.94 3.57 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 1.28 0.73 0.87 0.00 0.00 30 I 5.42 3.76 1.91 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 1.25 0.73 0.89 0.00 0.00 31 S 7.44 4.84 0.00 3.87 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 32 D 7.21 4.41 0.00 2.72 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 33 V 8.22 3.85 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 0.89 0.00 0.00 0.94 0.00 0.00 34 N 7.81 4.59 0.00 2.75 2.63 0.00 0.00 6.20 7.26 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 35 A 8.18 4.02 1.03 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 0.00 0.00 0.00 0.00 0.00 *40 R 7.63 4.81 0.00 2.00 2.05 0.00 3.11 0.00 0.00 4.01 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 41 W 8.63 5.29 0.00 3.15 2.88 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 42 N 8.60 4.51 0.00 2.74 2.64 0.00 0.00 7.07 7.74 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 43 A 7.75 4.02 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 44 V 7.99 3.77 2.36 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 1.06 0.00 0.00 1.01 0.00 0.00 45 L 7.90 4.22 0.00 1.73 1.93 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.83 4.35 0.00 1.88 1.86 0.00 1.77 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.71 7.81 47 L 7.53 4.14 0.00 1.85 1.94 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 8.30 4.45 0.00 2.48 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.08 0.00 0.00 0.00 0.00 0.00 2.43 2.74 0.00 49 T 7.68 4.24 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 1.23 0.00 0.00 50 L 7.87 4.36 0.00 1.55 1.64 0.93 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 3.93 0.00 1.74 1.82 0.00 4.17 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.16 0.00 52 R 7.65 3.96 0.00 2.10 1.85 0.00 3.26 0.00 0.00 3.39 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 53 D 8.23 4.67 0.00 2.67 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 54 S 7.84 4.61 0.00 3.65 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 55 S 8.24 4.69 0.00 4.03 3.78 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 56 P 0.00 4.44 0.00 2.20 2.30 0.00 3.56 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 2.01 1.90 0.00 57 S 7.78 5.05 0.00 3.87 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 58 R 7.75 4.57 0.00 1.98 1.92 0.00 3.36 0.00 0.00 3.36 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 59 Q 7.49 4.42 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.41 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 60 R 9.15 4.41 0.00 1.72 1.89 0.00 3.16 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.53 0.00 61 N 8.55 3.47 0.00 1.68 1.42 0.00 0.00 7.22 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 7.32 4.40 0.00 1.96 2.01 0.00 3.25 0.00 0.00 2.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.74 0.00 63 C 8.55 4.28 0.00 3.07 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 64 R 8.66 3.94 0.00 2.18 2.02 0.00 3.43 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 65 Q 8.05 4.16 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 66 T 8.05 4.16 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 1.23 0.00 0.00 67 G 8.93 4.52 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 0.00 0.00 0.00 68 R 7.71 3.96 0.00 1.96 1.98 0.00 3.17 0.00 0.00 3.44 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 69 P 0.00 4.37 0.00 2.02 2.11 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.91 0.00 70 H 8.48 4.55 0.00 3.21 2.79 0.00 5.74 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 8.78 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 72 F 8.58 5.52 0.00 3.17 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 73 L 6.63 4.37 0.00 1.57 1.56 1.07 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.96 4.05 0.00 1.79 2.07 0.00 3.29 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.80 0.00 75 K 7.53 3.50 0.00 1.29 0.95 0.00 1.39 0.00 0.00 1.43 0.00 0.00 2.85 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.30 0.67 7.81 76 F 7.26 4.26 0.00 2.97 3.01 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 77 G 9.20 3.71 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 0.00 0.00 0.00 78 L 7.16 4.97 0.00 1.68 1.54 0.97 0.81 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 79 S 8.49 5.42 0.00 4.05 4.09 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 80 R 8.52 3.96 0.00 2.07 2.27 0.00 2.97 0.00 0.00 3.36 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 81 I 7.58 3.69 1.87 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 1.64 0.59 0.90 0.00 0.00 82 K 7.57 3.86 0.00 1.79 1.86 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.62 7.81 83 V 7.64 3.30 1.91 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 0.41 0.00 0.00 0.82 0.00 0.00 84 R 7.19 3.76 0.00 1.61 2.07 0.00 3.32 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 85 E 8.38 3.81 0.00 2.04 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 2.29 2.34 0.00 86 A 8.30 3.97 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 87 A 7.98 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 88 M 7.91 4.19 0.00 2.03 2.26 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 2.58 2.83 0.00 89 R 7.76 3.97 0.00 1.78 1.95 0.00 3.33 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 90 G 7.68 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 91 E 8.17 4.33 0.00 2.02 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 2.28 2.36 0.00 92 I 7.34 4.53 1.81 0.00 0.00 0.49 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 0.53 1.01 0.00 0.00 93 P 0.00 4.34 0.00 2.24 2.20 0.00 3.91 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.99 0.00 94 G 8.64 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 95 L 7.87 4.45 0.00 1.72 1.60 1.10 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.30 4.43 0.00 1.87 1.74 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.49 7.81 97 K 8.72 3.73 0.00 1.78 1.89 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.42 7.81 98 A 8.50 4.41 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 99 S 7.99 4.58 0.00 3.91 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 0.00 100 W 8.17 4.04 0.00 3.39 3.17 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.