NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6309 8.1476 118.3352 55.1779 33.4965 173.7264 2 V 4.1596 8.2102 117.6622 61.7178 32.9625 173.8253 3 K 5.1020 9.7887 122.7240 53.6659 37.7772 176.4483 4 I 4.8488 8.2563 121.6595 59.9336 39.8207 174.9995 5 R 4.9513 9.4340 123.7731 55.0909 33.4477 173.7579 6 L 5.2087 8.5552 118.0964 53.7161 43.6629 176.5131 7 A 4.6010 8.4824 121.7377 49.8441 21.7203 175.9540 8 R 3.2421 8.3513 123.0311 57.1832 30.7806 176.3690 9 F 4.2526 8.0076 120.6777 57.5199 44.0540 173.8916 10 G 3.7545 8.9960 110.8786 47.3494 0.0000 170.5838 11 S 4.9293 7.4073 117.2082 56.5704 65.6593 173.6821 12 K 4.1150 8.4323 121.3036 57.7798 32.5190 176.2412 13 H 4.2226 8.6260 116.8968 56.3387 26.5846 175.4506 14 N 4.8117 7.5810 109.8953 52.2385 40.1841 171.0984 15 P 4.6197 0.0000 0.0000 63.5753 33.4646 177.5080 16 H 4.6268 8.0980 112.1377 55.8726 31.6280 173.6496 17 Y 4.6919 8.8201 122.4840 56.8287 39.8429 174.4869 18 R 4.8490 8.7160 119.2934 54.7600 33.0943 173.6451 19 I 4.0320 8.6506 129.0937 62.1254 38.1166 175.7693 20 V 4.8309 9.2444 126.3597 60.1517 35.8218 174.3824 21 V 5.3024 8.7151 114.4626 59.2355 33.8883 175.3090 22 T 4.8741 8.0467 114.4638 59.6390 73.3013 172.3767 23 D 4.5970 8.5741 120.4951 53.5493 42.0175 176.0549 24 A 3.9617 8.5046 130.6293 55.7186 18.4960 178.9418 25 R 4.0318 8.6773 113.3993 59.5066 30.3294 178.1300 26 R 4.0314 7.5752 115.0948 55.8335 30.5165 176.4003 27 K 4.2158 8.2183 119.5979 56.0772 33.0759 176.0760 28 R 3.7131 7.8991 117.8763 60.5227 30.1304 176.4768 29 D 4.3531 7.8071 116.4318 54.5536 41.2803 179.1172 30 G 3.8340 7.4800 109.6783 45.2709 0.0000 172.8137 31 K 4.1853 8.4574 123.1421 54.9678 32.6690 177.2545 32 Y 4.5341 7.9729 124.5916 56.7567 38.9990 175.3717 33 I 4.0712 8.5112 121.1527 61.8618 38.0611 176.4726 34 E 5.3747 7.5564 122.2463 55.7553 31.9081 175.7329 35 K 4.3508 8.7567 127.3111 56.1376 33.2453 176.4572 36 I 4.5549 8.6459 113.4327 59.7127 40.1844 174.5335 37 G 4.4857 7.2519 108.3518 46.4725 0.0000 170.8215 38 Y 5.5084 6.8417 116.2166 55.6438 42.1763 173.7342 39 Y 6.1177 8.8473 120.7598 56.4516 43.0892 173.0814 40 D 4.8764 9.3917 126.6254 50.8367 42.8968 175.6098 41 P 4.9655 0.0000 0.0000 61.0342 30.1069 177.5317 42 R 4.3265 8.0167 112.5237 56.9861 36.7715 175.5464 43 K 3.8286 7.9198 117.9517 57.5724 29.8794 175.4995 44 T 4.0889 8.5458 108.2566 63.6039 69.4813 175.4165 45 T 4.7552 7.6166 118.6992 60.7022 70.9971 173.4012 46 P 4.2138 0.0000 0.0000 65.0509 31.7044 176.6608 47 D 4.9473 7.4500 119.9479 52.4473 40.0954 175.2149 48 W 4.7781 8.3025 120.0974 57.7379 30.3154 176.7399 49 L 5.0366 6.3442 120.1720 53.0143 44.2568 175.6713 50 K 4.0218 7.5228 119.8710 55.7893 36.4606 174.0177 51 V 4.5196 8.0958 127.0695 61.4497 34.4427 173.2384 52 D 4.2972 9.1310 129.6273 54.7026 41.4498 177.3289 53 V 3.4910 8.7077 120.2132 64.6721 31.8022 178.1066 54 E 3.9285 8.1284 117.8823 59.8233 29.3056 179.7752 55 R 3.8241 8.8058 117.8296 59.3100 30.0230 178.9202 56 A 4.1677 7.8754 119.6485 55.3059 18.4503 179.7130 57 R 3.9192 10.0034 116.2326 59.8303 30.0819 178.0845 58 Y 4.0952 7.9969 120.7033 59.7939 38.5268 178.0054 59 W 4.6815 8.2359 120.6182 59.6251 29.5515 177.9283 60 L 4.4158 7.7387 119.0027 56.7220 41.6753 178.8580 61 S 3.7495 8.1686 113.4269 60.4205 62.8909 175.7630 62 V 4.0330 7.5914 112.3450 60.3879 31.9581 172.6323 63 G 3.8344 9.9187 115.8074 46.0405 0.0000 174.1757 64 A 4.9958 8.2009 122.4475 51.1806 19.4434 175.0989 65 Q 4.0005 7.7870 119.9116 55.2824 30.1309 176.3935 66 P 4.9311 0.0000 0.0000 61.7440 33.3544 175.8215 67 T 3.9550 8.4641 117.8997 64.3074 69.6239 174.8036 68 D 4.3025 9.0604 123.3436 58.2342 40.9084 178.8704 69 T 4.0537 7.8496 109.2373 63.1435 67.7909 175.0047 70 A 4.3502 8.2189 123.2973 54.8430 18.9392 179.6410 71 R 3.9137 8.0908 117.4886 60.6674 30.3057 178.0536 72 R 3.4253 8.1795 113.7211 59.6999 30.0320 177.3544 73 L 3.7556 7.9603 117.1702 58.4897 42.2919 178.9235 74 L 3.8634 7.8229 117.7242 58.3970 41.2613 179.2188 75 R 4.2584 9.4848 118.5290 60.3091 29.8602 178.0495 76 Q 3.8977 8.6991 119.4717 59.2166 29.0157 178.1986 77 A 4.3809 7.8468 119.7528 50.7134 20.1443 177.5946 78 G 3.8751 8.7457 108.0341 47.6819 0.0000 174.2790 79 V 3.7844 7.7200 117.0623 64.1731 32.7558 176.6472 80 F 4.4333 8.1808 116.6915 58.4056 39.9266 175.9103 81 R 3.8467 8.0893 119.9783 57.0994 29.6427 175.3945 82 Q 4.4394 8.6210 121.7325 55.0343 30.0835 175.5551 83 E 3.8097 8.1973 121.5104 57.5087 28.1333 174.0556 *84 A 4.1104 7.8000 123.7220 52.4260 18.9361 176.1966 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 8.15 4.63 0.00 2.09 2.33 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 2 V 8.21 4.16 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 0.84 0.00 0.00 0.74 0.00 0.00 3 K 9.79 5.10 0.00 1.64 1.69 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.37 7.81 4 I 8.26 4.85 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.78 0.94 0.00 0.00 5 R 9.43 4.95 0.00 1.83 2.03 0.00 2.78 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 6 L 8.56 5.21 0.00 1.78 2.14 1.01 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.48 4.60 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.35 3.24 0.00 1.40 1.49 0.00 3.08 0.00 0.00 3.06 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.00 0.00 9 F 8.01 4.25 0.00 3.29 2.77 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 10 G 9.00 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 0.00 0.00 0.00 11 S 7.41 4.93 0.00 3.71 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 12 K 8.43 4.12 0.00 1.65 1.64 0.00 1.74 0.00 0.00 1.44 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.08 1.31 7.81 13 H 8.63 4.22 0.00 3.29 3.27 0.00 5.79 0.00 0.00 0.00 0.00 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 7.58 4.81 0.00 2.78 2.76 0.00 0.00 7.07 7.71 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 15 P 0.00 4.62 0.00 2.13 2.29 0.00 3.80 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 16 H 8.10 4.63 0.00 3.11 3.25 0.00 5.81 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.82 4.69 0.00 3.22 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 18 R 8.72 4.85 0.00 2.19 2.03 0.00 3.08 0.00 0.00 3.17 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 19 I 8.65 4.03 1.97 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.77 0.91 0.00 0.00 20 V 9.24 4.83 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 0.80 0.00 0.00 0.59 0.00 0.00 21 V 8.72 5.30 1.68 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 0.62 0.00 0.00 -0.02 0.00 0.00 22 T 8.05 4.87 4.25 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 1.29 0.00 0.00 23 D 8.57 4.60 0.00 2.68 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 24 A 8.50 3.96 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 25 R 8.68 4.03 0.00 1.87 2.04 0.00 3.18 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 26 R 7.58 4.03 0.00 1.95 1.88 0.00 3.18 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 27 K 8.22 4.22 0.00 1.84 1.83 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.35 7.81 28 R 7.90 3.71 0.00 1.84 1.81 0.00 3.17 0.00 0.00 3.34 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 29 D 7.81 4.35 0.00 2.58 2.44 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 30 G 7.48 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 31 K 8.46 4.19 0.00 1.66 1.70 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.25 7.81 32 Y 7.97 4.53 0.00 3.06 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 33 I 8.51 4.07 1.68 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.65 0.84 0.00 0.00 34 E 7.56 5.37 0.00 2.23 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 2.30 2.24 0.00 35 K 8.76 4.35 0.00 1.40 1.71 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.26 7.81 36 I 8.65 4.55 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.04 1.04 0.00 0.00 37 G 7.25 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 6.84 5.51 0.00 3.07 3.06 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 39 Y 8.85 6.12 0.00 3.01 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 40 D 9.39 4.88 0.00 2.78 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 41 P 0.00 4.97 0.00 2.11 1.66 0.00 3.21 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.67 0.00 42 R 8.02 4.33 0.00 1.91 1.89 0.00 3.28 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 43 K 7.92 3.83 0.00 1.48 1.44 0.00 1.13 0.00 0.00 1.25 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 44 T 8.55 4.09 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 1.25 0.00 0.00 45 T 7.62 4.76 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 1.38 0.00 0.00 46 P 0.00 4.21 0.00 2.27 2.27 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 47 D 7.45 4.95 0.00 2.68 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 48 W 8.30 4.78 0.00 3.89 3.41 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 49 L 6.34 5.04 0.00 0.75 0.61 0.76 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.52 4.02 0.00 1.27 0.74 0.00 1.19 0.00 0.00 1.26 0.00 0.00 2.67 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.99 1.09 7.81 51 V 8.10 4.52 1.96 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 0.70 0.00 0.00 0.81 0.00 0.00 52 D 9.13 4.30 0.00 2.74 2.53 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 53 V 8.71 3.49 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 0.84 0.00 0.00 0.88 0.00 0.00 54 E 8.13 3.93 0.00 2.08 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 2.38 2.36 0.00 55 R 8.81 3.82 0.00 2.03 2.20 0.00 3.26 0.00 0.00 3.52 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.87 0.00 56 A 7.88 4.17 1.35 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 0.00 0.00 57 R 10.00 3.92 0.00 1.99 1.94 0.00 3.23 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 58 Y 8.00 4.10 0.00 2.88 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 59 W 8.24 4.68 0.00 3.44 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 60 L 7.74 4.42 0.00 1.80 1.71 0.87 0.84 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 61 S 8.17 3.75 0.00 3.82 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.59 4.03 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 0.01 0.00 0.00 1.09 0.00 0.00 63 G 9.92 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 64 A 8.20 5.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.79 4.00 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.88 0.00 0.00 0.00 0.00 0.00 2.49 2.37 0.00 66 P 0.00 4.93 0.00 2.13 2.10 0.00 3.85 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 67 T 8.46 3.95 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 1.25 0.00 0.00 68 D 9.06 4.30 0.00 2.70 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 69 T 7.85 4.05 4.24 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 0.00 0.00 0.00 1.22 0.00 0.00 70 A 8.22 4.35 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 71 R 8.09 3.91 0.00 2.24 1.90 0.00 3.09 0.00 0.00 2.95 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 72 R 8.18 3.43 0.00 1.89 1.70 0.00 3.26 0.00 0.00 3.32 8.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 73 L 7.96 3.76 0.00 1.61 1.52 0.70 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.82 3.86 0.00 2.18 1.80 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 75 R 9.48 4.26 0.00 1.84 2.29 0.00 3.09 0.00 0.00 3.04 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 76 Q 8.70 3.90 0.00 2.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.18 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 77 A 7.85 4.38 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 78 G 8.75 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 79 V 7.72 3.78 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 0.18 0.00 0.00 0.86 0.00 0.00 80 F 8.18 4.43 0.00 3.02 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 81 R 8.09 3.85 0.00 1.81 1.93 0.00 3.20 0.00 0.00 3.42 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 82 Q 8.62 4.44 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 5.94 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 83 E 8.20 3.81 0.00 2.14 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 2.21 2.23 0.00 *84 A 7.80 4.11 1.23 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.