NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6152 8.3649 120.5316 54.1304 42.0254 174.5947 3 I 4.1481 8.2177 125.5923 59.6463 38.5405 173.6572 4 R 4.4813 9.6817 127.8260 54.6051 33.4265 173.2299 5 Y 5.1901 8.4350 123.1422 56.2344 40.4747 174.9524 6 F 4.8034 9.4771 122.8145 55.8648 42.6732 175.7408 7 G 3.8058 8.9809 110.7368 46.8719 0.0000 173.7791 8 T 4.1693 8.2195 114.8535 62.7459 68.9114 174.4497 9 T 4.5629 8.5414 115.5587 58.6284 71.6855 173.0977 10 P 4.2899 0.0000 0.0000 64.4828 31.4965 177.3269 11 R 4.4247 7.3804 116.5148 57.3324 31.6872 174.6070 12 Y 4.8945 7.3916 113.8360 55.9523 40.9829 172.9531 13 S 5.0403 8.4658 114.6274 56.5788 65.9357 175.4265 14 E 3.9052 8.4771 123.4964 59.2712 30.3231 176.9880 15 A 5.1838 8.0656 119.3541 50.4822 23.4116 175.6261 16 V 4.8649 9.3439 120.6563 61.2103 35.1283 174.3112 17 G 4.6938 9.4799 115.2198 44.5265 0.0000 172.0967 18 A 4.7230 9.3045 125.4459 51.1386 22.8725 175.9042 19 N 3.9543 9.7325 122.6632 54.6666 37.3074 175.0940 20 G 4.0436 7.8155 105.4818 45.9912 0.0000 172.2039 21 L 4.7975 7.5574 120.1506 54.0031 43.6381 175.8841 22 I 4.9409 8.6340 123.1628 59.6001 40.6863 174.2866 23 F 4.9242 9.5065 126.5782 55.7584 40.9906 174.8154 24 L 5.0521 8.4187 124.3339 53.1953 43.0657 177.1472 25 S 4.2020 8.6385 119.1011 58.4539 63.5908 176.3606 26 G 4.3567 8.1883 108.3292 43.7575 0.0000 173.0974 *28 V 3.4603 8.0086 111.5253 60.0075 32.5164 173.6559 29 P 4.3306 0.0000 0.0000 62.9382 31.5380 176.3217 30 E 4.5321 9.2858 122.1373 56.5971 31.0599 175.6088 31 N 5.0078 7.8000 113.3537 51.9469 42.7563 174.9270 32 G 4.1155 8.9153 104.3001 46.4203 0.0000 172.7675 33 E 4.4843 9.1078 118.9991 58.0328 31.3120 178.1242 34 T 4.1702 7.8224 108.4871 61.0616 70.9412 174.7650 35 A 3.9779 8.6559 123.7458 55.5940 18.4569 180.0059 36 A 3.9371 8.1272 118.5311 55.4236 18.4898 179.7939 37 E 3.9563 8.1049 116.6661 59.6451 29.5441 179.6100 38 Q 4.0402 8.3380 118.1896 58.9727 28.7077 178.7430 39 T 3.8228 8.2662 117.0713 66.5348 68.6173 176.6416 40 A 3.8674 7.8783 122.3698 54.9738 18.3276 179.2774 41 D 4.1932 8.0313 116.6774 57.4032 41.3381 178.6048 42 V 3.4818 7.7482 118.7678 66.0727 31.4465 178.0756 43 L 3.4977 7.9594 118.5689 57.1718 41.2046 179.3110 44 A 3.9726 7.7384 120.6829 55.1437 18.2958 179.6289 45 Q 3.9533 8.0046 116.5439 59.2747 28.8502 179.1507 46 I 3.8839 7.8082 120.7456 64.5980 36.9929 178.2153 47 D 4.5359 8.5235 119.9810 57.2475 40.6715 178.9421 48 R 3.7130 7.9977 119.1756 59.3720 30.2467 178.7698 49 W 4.3209 8.1780 118.6486 59.4344 28.9792 178.7141 50 L 3.9741 8.2405 119.0613 57.8043 40.9953 179.2718 51 A 4.2495 7.7196 121.9251 54.6237 18.0314 179.3285 52 E 3.9001 7.9076 116.9080 59.1562 29.8279 177.9400 53 C 3.8640 7.5742 114.0815 59.2830 28.5813 173.8639 54 G 3.7823 8.1702 109.6183 46.2050 0.0000 173.0266 55 S 4.6383 8.3415 114.5797 56.8648 65.8226 171.3114 56 D 4.6512 8.0045 118.6777 52.0753 41.5376 176.0242 57 K 3.7214 8.4578 117.4171 59.6806 32.3168 178.2712 58 A 4.1120 7.3900 118.9312 53.4113 18.6044 177.1263 59 H 4.8213 8.2734 113.4555 55.1116 29.8751 173.2948 60 V 4.2095 7.3849 119.6594 62.7374 32.2519 175.6494 61 L 4.4029 9.0093 127.6560 56.7721 43.0470 176.2619 62 D 5.2600 7.9041 116.7846 52.5141 45.2487 173.7256 63 A 5.1483 9.1154 126.1402 50.3223 22.8399 174.7409 64 V 4.4408 8.6938 122.9254 61.0885 34.0479 174.4202 65 I 4.5520 8.5820 129.6958 59.9036 39.0319 174.2565 66 Y 5.0274 8.8233 126.6284 56.7853 39.5179 174.8564 67 L 5.1428 8.7940 124.8125 52.9618 43.9853 177.7759 68 R 4.1220 9.0662 124.4406 59.2332 30.7589 175.3176 69 D 4.7336 7.6528 117.0755 52.9897 43.7410 174.9277 *71 G 3.8846 8.6081 104.7202 45.6574 0.0000 173.0388 72 D 4.7117 8.2629 119.5035 54.4410 41.2769 177.5632 73 Y 4.2268 8.1999 120.8901 60.8153 39.1339 177.3068 74 A 3.9672 8.1613 122.0287 55.2274 18.9765 179.2916 75 E 3.8805 7.7905 112.8814 57.0647 29.1388 178.0844 *77 N 4.7215 8.3026 117.1230 52.7116 40.5934 176.9591 78 G 3.6402 8.0186 104.1896 47.7920 0.0000 175.5880 79 V 3.8404 7.4935 119.6646 65.2049 31.6691 177.7809 80 W 4.3187 8.2710 127.6694 60.9178 30.3274 177.5481 81 D 4.4181 8.4543 117.3139 57.1655 40.3386 178.1620 82 A 4.1647 7.6865 118.6091 53.5393 18.5501 178.4988 83 W 4.3711 7.7081 125.5513 58.2946 31.8624 177.1252 84 V 2.7496 6.6547 110.5881 60.7223 31.6362 175.7105 85 A 3.7996 7.7986 125.8083 51.2483 18.4247 177.0926 86 A 3.9428 8.4161 126.0995 54.2904 18.6191 177.9576 87 G 4.0091 8.9331 109.9073 45.8929 0.0000 173.5892 88 R 4.6619 7.7526 118.7155 55.6783 31.2126 175.8506 89 T 4.0030 7.9269 107.7155 60.9844 69.6953 172.3401 90 P 4.8079 0.0000 0.0000 61.4369 33.6246 175.1131 91 A 4.2795 8.7612 121.8770 52.3890 19.3397 176.7755 92 R 5.1286 8.3735 119.8475 54.8234 33.6784 174.0381 93 A 4.7206 8.8591 126.2704 50.2863 22.8034 174.3682 94 C 5.2245 8.5563 121.2331 57.5286 34.5312 173.4268 95 V 4.5070 8.5992 124.1480 60.3206 35.0131 172.9253 96 E 5.0040 8.7076 123.5724 55.2769 30.4460 175.2566 97 A 4.6478 9.0181 128.4924 50.7806 22.5649 176.3436 98 R 3.9907 8.8203 122.0552 56.3536 30.8070 176.0266 99 L 4.7497 8.0188 120.1189 52.5156 44.7488 176.2929 100 A 4.0478 8.9262 121.5396 54.9802 18.6201 178.1442 101 R 4.2600 6.4259 113.5256 53.3440 32.2977 175.6440 102 P 4.2609 0.0000 0.0000 65.4943 31.5628 177.9480 103 E 4.0978 7.8125 116.5956 58.3746 29.6781 177.0581 104 W 4.8255 7.7072 119.3411 56.6400 29.6067 176.2040 105 R 4.6985 9.7908 122.6725 56.8878 31.4383 176.6171 106 V 5.0711 7.6390 116.9925 60.1489 34.5378 173.9867 107 E 4.7117 9.5758 123.8778 54.5896 32.9436 173.9305 108 I 4.8189 8.4105 126.3061 59.3038 40.9868 174.0106 109 K 4.8314 9.0235 127.8853 54.7166 34.7501 174.5984 110 I 5.0992 8.4687 127.5803 59.8959 40.4288 174.5233 111 T 4.8929 8.9345 121.9752 61.8325 71.9010 173.1395 112 A 5.1956 8.7708 126.7699 50.5937 23.5884 174.6273 113 V 4.8932 8.2752 117.2343 59.7144 34.0967 176.3244 114 K 4.2493 8.8045 123.2483 56.3742 32.8839 177.1863 115 R 3.8842 8.0077 123.0838 55.9396 30.3318 176.5210 116 D 4.4684 8.6904 122.9673 54.5803 41.1686 175.9707 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 D 8.36 4.62 0.00 2.67 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 3 I 8.22 4.15 1.72 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 1.16 0.58 0.30 0.00 0.00 4 R 9.68 4.48 0.00 1.80 1.77 0.00 2.94 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.94 0.00 5 Y 8.44 5.19 0.00 2.78 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 6 F 9.48 4.80 0.00 3.00 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 7 G 8.98 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 8 T 8.22 4.17 4.18 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 0.00 0.00 1.06 0.00 0.00 9 T 8.54 4.56 3.98 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 0.73 0.00 0.00 10 P 0.00 4.29 0.00 2.02 2.12 0.00 3.53 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 11 R 7.38 4.42 0.00 1.83 2.01 0.00 3.48 0.00 0.00 3.39 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.62 0.00 12 Y 7.39 4.89 0.00 3.20 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 13 S 8.47 5.04 0.00 3.92 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 14 E 8.48 3.91 0.00 1.16 1.12 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 2.26 1.87 0.00 15 A 8.07 5.18 1.16 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 0.00 0.00 0.00 0.00 0.00 16 V 9.34 4.86 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 0.81 0.00 0.00 1.11 0.00 0.00 17 G 9.48 4.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.30 4.72 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 19 N 9.73 3.95 0.00 2.80 2.84 0.00 0.00 7.22 7.98 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 20 G 7.82 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 21 L 7.56 4.80 0.00 1.95 1.53 1.03 0.63 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 22 I 8.63 4.94 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.83 0.88 0.00 0.00 23 F 9.51 4.92 0.00 2.92 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 24 L 8.42 5.05 0.00 1.58 1.58 1.03 1.02 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 25 S 8.64 4.20 0.00 3.60 3.57 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 26 G 8.19 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 0.00 0.00 0.00 0.00 *28 V 8.01 3.46 0.67 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 0.42 0.00 0.00 0.25 0.00 0.00 29 P 0.00 4.33 0.00 1.90 1.90 0.00 2.52 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 30 E 9.29 4.53 0.00 2.13 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 2.26 2.33 0.00 31 N 7.80 5.01 0.00 2.86 2.67 0.00 0.00 7.19 7.53 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 32 G 8.92 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 33 E 9.11 4.48 0.00 1.94 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 0.00 2.27 2.37 0.00 34 T 7.82 4.17 4.43 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 1.23 0.00 0.00 35 A 8.66 3.98 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 36 A 8.13 3.94 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.10 3.96 0.00 2.22 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 2.33 2.35 0.00 38 Q 8.34 4.04 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.56 2.63 0.00 39 T 8.27 3.82 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 1.22 0.00 0.00 40 A 7.88 3.87 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 41 D 8.03 4.19 0.00 2.80 2.75 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 42 V 7.75 3.48 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 0.88 0.00 0.00 0.81 0.00 0.00 43 L 7.96 3.50 0.00 1.11 0.13 0.48 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.74 3.97 1.38 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 0.00 0.00 45 Q 8.00 3.95 0.00 2.39 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 46 I 7.81 3.88 1.95 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.03 1.11 0.00 0.00 47 D 8.52 4.54 0.00 2.95 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 48 R 8.00 3.71 0.00 1.69 1.82 0.00 2.33 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.45 0.00 49 W 8.18 4.32 0.00 3.49 3.18 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 0.00 0.00 0.00 50 L 8.24 3.97 0.00 1.81 1.63 1.08 0.62 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 51 A 7.72 4.25 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 52 E 7.91 3.90 0.00 2.03 2.15 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 2.61 2.47 0.00 53 C 7.57 3.86 0.00 3.02 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 54 G 8.17 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 0.00 0.00 0.00 55 S 8.34 4.64 0.00 3.71 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 56 D 8.00 4.65 0.00 2.83 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.46 3.72 0.00 0.82 1.62 0.00 0.61 0.00 0.00 1.30 0.00 0.00 2.60 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.14 0.88 7.81 58 A 7.39 4.11 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 59 H 8.27 4.82 0.00 3.17 3.36 0.00 5.81 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.38 4.21 2.19 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 0.94 0.00 0.00 1.08 0.00 0.00 61 L 9.01 4.40 0.00 1.67 1.66 0.84 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 62 D 7.90 5.26 0.00 2.73 2.42 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 63 A 9.12 5.15 1.38 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 0.00 0.00 64 V 8.69 4.44 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 0.29 0.00 0.00 0.87 0.00 0.00 65 I 8.58 4.55 1.61 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.14 0.78 0.00 0.00 66 Y 8.82 5.03 0.00 2.89 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 67 L 8.79 5.14 0.00 1.61 1.60 1.05 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 68 R 9.07 4.12 0.00 1.99 2.01 0.00 3.43 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 69 D 7.65 4.73 0.00 2.71 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 0.00 0.00 0.00 0.00 *71 G 8.61 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 72 D 8.26 4.71 0.00 2.96 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 73 Y 8.20 4.23 0.00 2.81 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 74 A 8.16 3.97 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 75 E 7.79 3.88 0.00 2.14 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 0.00 2.31 2.29 0.00 *77 N 8.30 4.72 0.00 2.78 2.76 0.00 0.00 6.90 7.58 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 78 G 8.02 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.49 3.84 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 1.01 0.00 0.00 0.99 0.00 0.00 80 W 8.27 4.32 0.00 3.49 3.18 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 0.00 0.00 0.00 81 D 8.45 4.42 0.00 2.79 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 82 A 7.69 4.16 1.38 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 0.00 0.00 83 W 7.71 4.37 0.00 3.14 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 84 V 6.65 2.75 1.75 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 -0.23 0.00 0.00 0.77 0.00 0.00 85 A 7.80 3.80 1.01 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 86 A 8.42 3.94 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 87 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 88 R 7.75 4.66 0.00 1.71 1.75 0.00 3.07 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 89 T 7.93 4.00 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 1.24 0.00 0.00 90 P 0.00 4.81 0.00 2.30 2.38 0.00 4.02 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.20 0.00 91 A 8.76 4.28 1.38 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 0.00 0.00 92 R 8.37 5.13 0.00 1.82 1.69 0.00 2.21 0.00 0.00 2.99 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.28 0.00 93 A 8.86 4.72 1.10 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 0.00 0.00 94 C 8.56 5.22 0.00 2.88 2.82 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 95 V 8.60 4.51 2.07 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 0.82 0.00 0.00 0.91 0.00 0.00 96 E 8.71 5.00 0.00 1.99 1.90 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 2.26 2.41 0.00 97 A 9.02 4.65 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 98 R 8.82 3.99 0.00 1.80 1.87 0.00 3.16 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 99 L 8.02 4.75 0.00 1.84 1.88 1.12 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.93 4.05 1.26 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 0.00 0.00 0.00 101 R 6.43 4.26 0.00 0.67 1.15 0.00 2.97 0.00 0.00 3.07 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.00 102 P 0.00 4.26 0.00 1.96 2.05 0.00 3.46 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.00 0.00 103 E 7.81 4.10 0.00 1.96 2.08 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 2.30 2.34 0.00 104 W 7.71 4.83 0.00 3.51 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 0.00 105 R 9.79 4.70 0.00 1.83 2.15 0.00 3.22 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 106 V 7.64 5.07 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 0.64 0.00 0.00 0.92 0.00 0.00 107 E 9.58 4.71 0.00 2.04 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 2.29 2.23 0.00 108 I 8.41 4.82 1.86 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 1.17 1.09 0.97 0.00 0.00 109 K 9.02 4.83 0.00 1.95 1.74 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.59 7.81 110 I 8.47 5.10 1.94 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.91 0.99 0.00 0.00 111 T 8.93 4.89 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 0.58 0.00 0.00 112 A 8.77 5.20 1.17 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 0.00 0.00 113 V 8.28 4.89 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 0.82 0.00 0.00 0.98 0.00 0.00 114 K 8.80 4.25 0.00 1.65 1.77 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.60 1.42 7.81 115 R 8.01 3.88 0.00 1.58 1.82 0.00 3.07 0.00 0.00 3.19 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.38 0.00 116 D 8.69 4.47 0.00 2.63 2.56 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.