NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3903 0.0000 0.0000 62.4170 33.0250 177.2620 3 R 4.0229 8.0509 119.7514 58.4668 31.0576 174.4369 4 S 4.8220 8.8903 113.2526 59.5755 65.6141 175.7993 5 L 4.5576 8.5843 126.8526 56.7486 49.7794 175.3088 6 K 4.1731 7.8570 119.2111 54.9291 29.0330 176.4416 7 K 4.1665 7.5430 129.0635 60.5071 33.3922 174.1437 8 G 3.0427 9.4165 118.3409 48.3137 0.0000 172.9805 9 V 3.5036 7.0967 123.1606 59.7700 30.8851 174.3225 10 F 4.0720 8.8302 129.5816 58.5549 40.4227 173.6611 11 V 4.6316 6.8060 124.0124 61.4410 34.7774 173.5047 12 D 4.3812 8.5979 127.4721 53.2893 41.3628 177.1427 13 D 4.3343 8.6769 124.4644 56.6527 38.2234 178.4267 14 H 4.1534 7.7763 117.6994 58.7771 28.5594 176.3683 15 L 4.5719 7.8081 119.5741 56.7507 41.4570 177.9120 16 L 4.1639 7.5032 121.6965 58.3120 41.9977 178.9448 17 E 3.9941 7.8576 116.5312 59.0947 29.6929 178.5911 18 K 4.0809 7.3954 120.1031 58.3465 32.4192 178.1550 19 V 4.0055 8.6798 120.2294 63.5467 32.1758 178.0382 20 L 4.1030 7.6945 119.0214 57.8712 40.4261 178.7903 21 E 4.1388 8.0699 120.0363 59.3071 29.5968 178.7725 22 L 4.0530 7.8244 118.4196 57.7221 41.1132 179.3191 23 N 4.3240 8.0988 115.8884 56.3552 38.3617 177.1019 24 A 4.0763 7.4987 120.0738 54.7583 18.3805 176.9131 25 K 4.2941 7.5272 113.3419 55.9053 35.2092 179.5855 26 G 4.0638 7.3451 113.9907 45.7720 0.0000 172.6982 27 E 4.2759 8.7212 118.9298 56.0196 30.2380 176.1038 28 K 4.6078 8.2443 121.6253 54.4449 34.9957 177.2314 29 R 4.0758 8.3902 124.4171 56.6193 28.0113 176.0042 30 L 4.6034 8.6533 122.1749 54.5954 41.2945 175.4697 31 I 4.4969 7.4296 120.1674 60.3180 39.7267 173.5555 32 K 4.9870 8.0956 125.7342 56.5925 33.3550 176.4807 33 T 4.4948 7.8723 117.7036 62.5117 73.2365 174.0398 34 W 4.7482 8.9777 120.7275 56.8279 30.2224 177.2534 35 S 4.6961 7.8453 116.4094 57.0289 60.2136 174.2751 36 R 4.3614 7.8883 117.2001 56.9267 29.9953 179.7320 37 R 4.0258 7.7701 117.7712 59.2914 30.3333 176.4164 38 S 4.4533 7.9893 110.2432 57.3016 64.2783 173.3136 39 T 4.3799 8.9390 120.8348 63.3552 69.1833 174.5393 40 I 3.9240 8.5546 127.5629 61.4229 37.3192 176.0259 41 V 4.4124 7.8771 120.3701 59.4418 33.9896 175.5288 42 P 4.1101 0.0000 0.0000 65.5515 31.7597 180.4690 43 E 4.5412 7.8588 117.2946 56.2481 28.7388 177.6668 44 M 4.5682 9.2925 119.4203 57.0539 35.4116 175.9433 45 V 3.5930 7.7995 117.4347 65.0995 31.6556 174.1050 46 G 4.1229 8.0083 118.5549 44.3977 0.0000 173.7504 47 H 4.5416 8.6871 116.9736 55.8680 30.5945 175.2436 48 T 4.8176 8.3948 115.5890 61.9515 70.6800 172.3841 49 I 4.4321 8.2610 127.5545 60.4114 39.0187 175.2049 50 A 4.6731 8.5443 129.8858 50.9191 19.1390 175.9470 51 V 4.2206 8.9598 122.3436 63.2871 32.8251 175.2802 52 Y 5.4837 8.4704 127.5701 56.4787 40.4230 175.1787 53 N 4.8979 7.5110 115.5347 52.3694 38.6206 175.2120 54 G 4.0137 7.7366 106.5867 45.7047 0.0000 173.9449 55 K 4.7117 6.5311 115.3113 56.7196 38.2987 175.4448 56 Q 4.7398 8.6133 116.9834 54.4233 32.4265 175.0172 57 H 5.2831 8.8639 119.8621 54.5932 28.4843 173.3573 58 V 4.1371 9.0764 116.7065 59.7340 33.1435 173.5347 59 P 4.7087 0.0000 0.0000 62.7318 32.2471 175.7735 60 V 4.3736 8.7273 123.5750 61.1658 34.8397 173.5930 61 Y 4.6553 8.6782 129.7595 56.3841 39.7569 173.9876 62 I 3.4935 7.7217 128.3868 61.2161 39.0254 175.4133 63 T 4.5628 8.0500 125.1869 61.1626 71.5547 174.5369 64 E 3.8444 8.5463 122.8419 59.3462 29.7611 178.5218 65 N 4.2752 8.0569 115.9413 55.5292 37.2799 174.8364 66 M 4.8263 7.3146 116.0596 54.7536 31.2965 177.2651 67 V 3.6762 7.2370 120.6815 64.6406 32.3668 177.4469 68 G 3.9420 8.0022 114.1733 48.7143 0.0000 173.0768 69 H 4.6910 7.9665 117.0916 55.5746 28.8115 174.7443 70 K 4.9063 8.8907 120.8913 55.0889 33.8575 178.6368 71 L 4.0303 8.2844 119.5136 58.2346 41.7986 180.1753 72 G 3.8634 7.9936 107.8142 48.8234 0.0000 175.0377 73 E 3.9706 7.7487 118.5083 58.1963 29.4673 177.4638 74 F 4.5432 8.6296 115.3713 56.9312 40.8995 175.8467 75 A 4.6700 7.7351 124.5846 48.7443 17.9807 173.0729 76 P 4.2925 0.0000 0.0000 62.8297 32.1422 177.7182 77 T 3.8602 8.6161 119.9600 66.5569 68.5945 175.2606 78 R 4.4541 7.5804 117.6937 55.1740 31.8939 175.5979 79 T 4.6089 8.2001 114.6495 62.0884 71.1797 173.1889 80 Y 4.5290 8.3106 126.5523 55.1593 41.6555 173.2699 81 R 3.4186 6.1683 127.1954 55.8097 30.2352 176.4103 *82 G 3.7389 7.8699 109.9996 45.5040 0.0000 170.5153 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 2 P 0.00 4.39 0.00 2.19 2.21 0.00 3.74 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 1.89 2.00 0.00 3 R 8.05 4.02 0.00 1.92 1.98 0.00 3.31 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 4 S 8.89 4.82 0.00 3.82 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 5 L 8.58 4.56 0.00 1.65 1.66 0.98 1.02 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 6 K 7.86 4.17 0.00 1.83 2.05 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 1.28 7.81 7 K 7.54 4.17 0.00 1.81 1.80 0.00 1.57 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.40 7.81 8 G 9.42 3.04 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 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.10 3.50 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 0.79 0.00 0.00 0.94 0.00 0.00 10 F 8.83 4.07 0.00 3.25 2.93 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 11 V 6.81 4.63 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 0.72 0.00 0.00 0.98 0.00 0.00 12 D 8.60 4.38 0.00 2.86 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 13 D 8.68 4.33 0.00 2.85 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 14 H 7.78 4.15 0.00 3.24 3.45 0.00 5.60 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 15 L 7.81 4.57 0.00 1.87 1.90 1.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.50 4.16 0.00 1.65 1.68 0.87 1.21 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 17 E 7.86 3.99 0.00 2.23 2.16 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 2.52 2.43 0.00 18 K 7.40 4.08 0.00 2.13 1.93 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.43 1.45 7.81 19 V 8.68 4.01 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 0.81 0.00 0.00 0.82 0.00 0.00 20 L 7.69 4.10 0.00 1.81 1.83 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.07 4.14 0.00 2.06 2.02 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 2.32 2.59 0.00 22 L 7.82 4.05 0.00 1.77 1.91 0.78 0.70 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 23 N 8.10 4.32 0.00 2.95 2.87 0.00 0.00 6.76 7.99 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 24 A 7.50 4.08 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 25 K 7.53 4.29 0.00 1.75 1.65 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.53 7.81 26 G 7.35 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 27 E 8.72 4.28 0.00 1.99 1.93 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 2.31 2.25 0.00 28 K 8.24 4.61 0.00 1.67 1.63 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.41 7.81 29 R 8.39 4.08 0.00 1.82 1.90 0.00 3.42 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 30 L 8.65 4.60 0.00 1.79 1.68 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.43 4.50 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.82 0.85 0.00 0.00 32 K 8.10 4.99 0.00 0.91 1.44 0.00 1.06 0.00 0.00 1.99 0.00 0.00 2.45 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.22 1.03 7.81 33 T 7.87 4.49 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 1.35 0.00 0.00 34 W 8.98 4.75 0.00 3.43 3.13 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 0.00 0.00 0.00 35 S 7.85 4.70 0.00 4.16 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 36 R 7.89 4.36 0.00 2.22 2.25 0.00 3.15 0.00 0.00 3.42 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.72 0.00 37 R 7.77 4.03 0.00 2.03 1.98 0.00 3.35 0.00 0.00 3.31 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.74 0.00 38 S 7.99 4.45 0.00 3.99 4.19 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 39 T 8.94 4.38 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 1.28 0.00 0.00 40 I 8.55 3.92 2.23 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.54 0.87 0.00 0.00 41 V 7.88 4.41 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 0.72 0.00 0.00 0.92 0.00 0.00 42 P 0.00 4.11 0.00 2.17 1.99 0.00 3.57 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 2.08 2.10 0.00 43 E 7.86 4.54 0.00 2.07 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 2.25 2.26 0.00 44 M 9.29 4.57 0.00 1.80 2.07 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.41 0.00 45 V 7.80 3.59 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.87 0.00 0.00 46 G 8.01 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 47 H 8.69 4.54 0.00 3.13 3.19 0.00 5.56 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.39 4.82 4.30 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 1.29 0.00 0.00 49 I 8.26 4.43 1.82 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 1.11 0.62 0.95 0.00 0.00 50 A 8.54 4.67 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 51 V 8.96 4.22 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 0.82 0.00 0.00 1.00 0.00 0.00 52 Y 8.47 5.48 0.00 2.71 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 53 N 7.51 4.90 0.00 2.66 2.71 0.00 0.00 6.29 7.00 0.00 0.00 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 G 7.74 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 55 K 6.53 4.71 0.00 1.61 1.74 0.00 1.52 0.00 0.00 2.33 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.43 7.81 56 Q 8.61 4.74 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.59 0.00 0.00 0.00 0.00 0.00 2.21 2.41 0.00 57 H 8.86 5.28 0.00 3.08 3.19 0.00 5.69 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 58 V 9.08 4.14 2.11 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 0.70 0.00 0.00 1.01 0.00 0.00 59 P 0.00 4.71 0.00 2.10 2.07 0.00 3.73 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 2.01 1.98 0.00 60 V 8.73 4.37 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 0.82 0.00 0.00 1.04 0.00 0.00 61 Y 8.68 4.66 0.00 3.10 2.90 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 62 I 7.72 3.49 1.63 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.87 0.81 0.00 0.00 63 T 8.05 4.56 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 1.28 0.00 0.00 64 E 8.55 3.84 0.00 2.02 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 2.37 2.36 0.00 65 N 8.06 4.28 0.00 2.92 3.02 0.00 0.00 5.90 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 66 M 7.31 4.83 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 67 V 7.24 3.68 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 0.97 0.00 0.00 1.03 0.00 0.00 68 G 8.00 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 69 H 7.97 4.69 0.00 3.57 3.67 0.00 5.61 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.89 4.91 0.00 1.91 1.99 0.00 2.09 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.61 7.81 71 L 8.28 4.03 0.00 1.80 1.77 1.01 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.99 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 73 E 7.75 3.97 0.00 2.34 1.61 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 0.00 2.31 2.36 0.00 74 F 8.63 4.54 0.00 3.06 3.12 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 75 A 7.74 4.67 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 76 P 0.00 4.29 0.00 2.17 2.06 0.00 3.82 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 1.99 1.99 0.00 77 T 8.62 3.86 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 1.20 0.00 0.00 78 R 7.58 4.45 0.00 1.83 1.91 0.00 3.16 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 79 T 8.20 4.61 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 1.21 0.00 0.00 80 Y 8.31 4.53 0.00 2.91 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 81 R 6.17 3.42 0.00 0.83 0.72 0.00 3.31 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.47 0.00 *82 G 7.87 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 * Residues marked with a * may have inaccurate shift predictions.