NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3072 8.3001 118.7934 53.4938 34.1825 176.0268 2 A 3.4233 7.9245 119.6347 53.0019 15.3391 176.6877 *3 H 4.5990 8.2911 118.6375 55.5042 31.0517 177.3477 4 K 4.6706 7.8559 123.5148 55.4933 31.8223 179.7408 5 K 4.5487 8.0036 108.8595 55.7357 33.8163 172.6773 6 G 3.8677 8.1459 112.3635 46.6778 0.0000 172.7470 7 L 4.4902 7.8641 118.7665 53.1351 44.8396 175.8298 8 G 4.0352 8.4573 105.9982 46.3939 0.0000 173.8813 9 S 4.5059 8.8140 121.0077 58.0760 62.6003 170.2098 10 T 3.9305 7.0579 115.9215 65.3163 67.9050 173.9043 11 R 4.7462 8.2881 128.6010 56.0094 30.5619 174.8998 12 N 4.8680 8.2281 111.4963 51.7282 40.9376 174.4893 13 G 3.6460 8.2646 106.8307 46.9368 0.0000 172.9284 14 R 4.3680 7.5832 123.6433 55.2094 33.4238 173.7522 15 D 4.7432 8.0126 122.8931 54.5266 43.3344 176.4275 16 S 4.6558 8.1689 120.3065 57.1770 64.3726 174.1729 17 Q 4.2135 8.2740 119.8143 55.2808 29.3901 175.9318 18 A 4.1219 8.4230 122.4647 52.8981 18.8511 177.6753 19 K 4.3801 8.5010 118.6769 55.2815 33.0731 177.4010 20 R 3.4556 7.5762 109.0384 57.2586 27.2408 174.8629 21 L 4.5896 7.7260 126.0088 52.8219 44.9255 173.9966 22 G 3.6834 8.7088 105.0789 43.8996 0.0000 173.2278 23 V 3.7002 8.1821 118.8328 62.9129 31.0687 175.6737 24 K 3.9323 8.8492 128.2870 57.5928 32.3911 177.3629 25 R 4.2015 7.2260 115.9471 53.8462 30.9439 174.4924 26 Y 4.2912 7.5766 120.7489 56.9927 38.7836 175.5446 27 E 4.3685 8.3333 122.2741 58.0990 30.0812 176.9422 28 G 4.0594 9.1701 114.6372 45.1203 0.0000 173.4215 29 Q 4.3344 7.7812 119.1673 55.0210 29.8361 175.8211 30 V 4.0454 8.4722 124.9444 63.2688 32.3052 175.4667 31 V 4.6392 9.2179 119.9073 59.8610 36.0769 175.1243 32 R 4.9389 8.4255 121.3464 54.5643 32.4414 175.9292 33 A 4.1754 7.9324 122.6762 53.1319 18.9277 177.0791 34 G 4.0107 8.9307 109.2936 45.3496 0.0000 173.2571 35 N 4.3892 7.7134 116.8310 53.4861 39.5502 174.8758 36 I 4.2912 8.4259 118.3142 61.4226 37.9978 175.9066 37 L 4.3945 9.9457 126.3659 56.3350 43.7083 177.0090 38 V 4.7540 7.4403 117.5270 61.3208 35.4390 174.0960 39 R 4.7238 8.8684 127.4350 54.8826 31.2279 175.2772 40 Q 4.8684 8.5547 121.5506 54.2662 31.4546 175.7309 41 R 4.2248 9.2289 119.9983 59.0335 31.4710 178.0550 42 G 3.9258 7.3650 104.3963 46.2422 0.0000 173.9178 43 T 4.1273 7.7355 114.8783 60.8312 67.4233 175.2951 44 R 3.7575 7.9530 121.1907 58.3950 30.3454 176.8092 45 F 4.7020 8.3541 115.4904 55.4218 42.2746 175.2702 46 K 4.0880 8.8650 124.7430 55.1806 33.1878 174.9124 47 P 4.4415 0.0000 0.0000 62.4462 31.7711 176.2787 48 G 4.2771 8.4342 111.2981 45.6935 0.0000 174.0207 49 K 4.0870 9.1254 123.8639 56.8497 33.3237 177.1959 50 N 4.2478 8.7963 123.0649 53.6739 36.0055 174.2326 51 V 4.6559 7.4604 115.5254 61.6186 35.0598 174.1011 52 G 4.0931 8.4097 114.4526 44.3099 0.0000 171.2399 53 M 5.7595 7.7775 116.8830 52.4195 34.9511 174.6827 54 G 4.4206 7.8941 107.9251 44.7479 0.0000 174.6969 55 R 3.5248 7.7908 117.3113 58.9998 30.2253 178.0896 56 D 4.3539 7.7414 115.2753 53.4856 39.9480 177.0016 57 F 4.0390 8.3014 116.4046 59.2513 37.7388 175.5385 58 T 4.2757 8.3058 119.1808 63.9978 68.9152 173.3418 59 L 4.8242 8.6387 127.4741 53.7628 43.5495 176.0000 60 F 5.1816 8.4673 117.1765 54.9213 41.8594 173.8889 61 A 4.5931 8.9369 122.6474 52.5980 19.1226 177.9624 62 L 4.7563 8.4023 118.0484 55.1060 43.5059 176.3923 63 V 4.4845 7.3638 110.7654 60.5000 36.3896 172.5106 64 D 5.0101 8.7046 120.7040 52.9033 42.4351 177.2310 65 G 3.8573 8.1801 110.4717 45.9766 0.0000 171.2830 66 V 4.5239 7.3766 118.8430 61.9227 33.5172 175.9255 67 V 4.7157 8.0373 125.2862 61.9149 33.2507 174.4939 68 E 5.2485 9.6880 125.3789 54.8177 32.5647 175.0492 69 F 5.2108 10.6278 123.1870 56.6623 41.6550 174.9452 70 Q 4.6912 8.8741 119.0484 55.4876 32.7544 172.3482 71 D 5.1703 8.8531 125.5799 52.8787 43.1293 176.0601 72 R 4.6704 9.0011 121.8619 55.0893 33.6119 177.4235 73 G 3.9206 8.2980 111.9245 46.0370 0.0000 177.7673 74 R 3.8498 9.0192 123.7314 58.9914 30.0516 177.3809 75 L 4.1034 8.5921 117.6529 58.1759 42.0710 175.9153 76 G 3.8488 7.1943 103.2682 43.7777 0.0000 171.6072 77 R 5.1834 8.4213 118.0610 54.8245 32.3136 175.5651 78 Y 5.6937 9.4171 121.1723 55.4959 41.8596 174.8633 79 V 4.6065 7.8382 120.0237 61.5221 35.2197 173.8009 80 H 5.2673 9.2599 121.8335 54.6458 32.7471 171.8656 81 V 4.9129 8.6282 119.3104 61.0288 33.4437 174.6532 82 R 4.6157 8.7844 125.3936 53.8592 31.2148 175.7262 83 P 5.0194 0.0000 0.0000 62.9175 32.2856 173.6626 84 L 4.2809 7.9302 117.0313 56.0347 42.2711 174.8175 85 A 4.1864 8.3907 121.1249 53.0626 19.1834 176.0992 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 8.30 4.31 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.12 0.00 2 A 7.92 3.42 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 *3 H 8.29 4.60 0.00 2.95 2.86 0.00 7.18 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 7.86 4.67 0.00 1.75 1.44 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.27 0.97 7.81 5 K 8.00 4.55 0.00 1.70 1.60 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.14 0.87 7.81 6 G 8.15 3.87 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 0.00 0.00 0.00 7 L 7.86 4.49 0.00 1.63 1.42 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.46 4.04 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 S 8.81 4.51 0.00 3.64 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.06 3.93 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 1.21 0.00 0.00 11 R 8.29 4.75 0.00 1.89 1.82 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 1.50 1.64 0.00 12 N 8.23 4.87 0.00 2.69 2.77 0.00 0.00 7.10 7.65 0.00 0.00 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 G 8.26 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.58 4.37 0.00 1.93 1.81 0.00 3.34 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.42 0.00 15 D 8.01 4.74 0.00 2.67 2.57 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 16 S 8.17 4.66 0.00 3.90 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 17 Q 8.27 4.21 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 18 A 8.42 4.12 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 19 K 8.50 4.38 0.00 1.74 1.82 0.00 1.86 0.00 0.00 2.07 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.34 7.81 20 R 7.58 3.46 0.00 2.00 2.05 0.00 3.17 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 21 L 7.73 4.59 0.00 1.68 1.85 0.97 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.71 3.68 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 0.00 0.00 0.00 23 V 8.18 3.70 2.10 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 0.62 0.00 0.00 0.76 0.00 0.00 24 K 8.85 3.93 0.00 1.77 1.75 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.51 7.81 25 R 7.23 4.20 0.00 1.65 1.82 0.00 3.18 0.00 0.00 3.13 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 26 Y 7.58 4.29 0.00 3.09 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 27 E 8.33 4.37 0.00 2.21 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 0.00 2.37 2.65 0.00 28 G 9.17 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 29 Q 7.78 4.33 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 30 V 8.47 4.05 2.10 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 0.79 0.00 0.00 0.95 0.00 0.00 31 V 9.22 4.64 2.10 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 0.77 0.00 0.00 1.08 0.00 0.00 32 R 8.43 4.94 0.00 1.77 1.85 0.00 3.13 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 33 A 7.93 4.18 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 34 G 8.93 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 35 N 7.71 4.39 0.00 2.70 2.83 0.00 0.00 6.64 7.14 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 36 I 8.43 4.29 1.96 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 1.35 0.81 0.97 0.00 0.00 37 L 9.95 4.39 0.00 1.34 1.63 0.84 0.58 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 38 V 7.44 4.75 1.97 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 0.98 0.00 0.00 0.62 0.00 0.00 39 R 8.87 4.72 0.00 1.88 1.89 0.00 3.31 0.00 0.00 3.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 40 Q 8.55 4.87 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 7.05 0.00 0.00 0.00 0.00 0.00 2.32 2.59 0.00 41 R 9.23 4.22 0.00 1.84 2.08 0.00 3.27 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 42 G 7.37 3.93 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 0.00 0.00 0.00 43 T 7.74 4.13 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 44 R 7.95 3.76 0.00 2.09 1.88 0.00 3.23 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 45 F 8.35 4.70 0.00 2.94 2.80 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 46 K 8.86 4.09 0.00 0.79 0.87 0.00 1.27 0.00 0.00 1.38 0.00 0.00 2.75 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.14 1.02 7.81 47 P 0.00 4.44 0.00 2.11 1.89 0.00 3.46 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.87 0.00 48 G 8.43 4.28 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 0.00 49 K 9.13 4.09 0.00 1.76 1.78 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.55 1.55 7.81 50 N 8.80 4.25 0.00 3.02 2.86 0.00 0.00 6.53 7.68 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 51 V 7.46 4.66 2.04 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 0.53 0.00 0.00 0.92 0.00 0.00 52 G 8.41 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 0.00 0.00 0.00 53 M 7.78 5.76 0.00 1.90 2.08 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.28 0.00 54 G 7.89 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.79 3.52 0.00 1.77 1.84 0.00 3.17 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 1.58 1.65 0.00 56 D 7.74 4.35 0.00 2.73 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.30 4.04 0.00 3.23 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 58 T 8.31 4.28 4.40 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 1.33 0.00 0.00 59 L 8.64 4.82 0.00 1.54 1.41 0.98 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.47 5.18 0.00 3.26 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 61 A 8.94 4.59 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 62 L 8.40 4.76 0.00 1.54 1.74 0.88 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.36 4.48 2.10 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 0.94 0.00 0.00 0.95 0.00 0.00 64 D 8.70 5.01 0.00 2.54 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.18 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 66 V 7.38 4.52 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 1.06 0.00 0.00 0.95 0.00 0.00 67 V 8.04 4.72 2.35 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 1.04 0.00 0.00 1.01 0.00 0.00 68 E 9.69 5.25 0.00 2.05 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 2.31 2.22 0.00 69 F 10.63 5.21 0.00 2.96 3.20 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 70 Q 8.87 4.69 0.00 2.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 71 D 8.85 5.17 0.00 2.77 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.00 4.67 0.00 2.15 1.78 0.00 3.40 0.00 0.00 3.45 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.19 0.00 73 G 8.30 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 0.00 0.00 0.00 74 R 9.02 3.85 0.00 1.81 2.06 0.00 3.37 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 75 L 8.59 4.10 0.00 1.72 1.83 0.86 1.18 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 76 G 7.19 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 77 R 8.42 5.18 0.00 1.52 1.94 0.00 2.96 0.00 0.00 2.95 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.56 0.00 78 Y 9.42 5.69 0.00 2.72 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 7.84 4.61 1.70 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 0.55 0.00 0.00 -0.25 0.00 0.00 80 H 9.26 5.27 0.00 3.18 3.37 0.00 5.28 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.63 4.91 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 0.84 0.00 0.00 0.98 0.00 0.00 82 R 8.78 4.62 0.00 1.89 2.17 0.00 2.83 0.00 0.00 3.46 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.56 0.00 83 P 0.00 5.02 0.00 2.20 2.15 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 84 L 7.93 4.28 0.00 1.72 1.65 0.93 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.39 4.19 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 * Residues marked with a * may have inaccurate shift predictions.