NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3647 8.3193 115.4033 58.4900 63.5297 173.6293 4 V 4.2628 7.4031 126.5509 59.8313 31.2097 172.5378 5 Y 4.1286 8.7140 122.2350 58.5319 39.5995 176.9891 6 I 4.2912 8.3472 126.5175 60.4041 38.3012 175.9992 7 V 4.3165 8.4022 122.5561 61.4683 33.3551 175.3895 8 E 4.4954 8.0768 118.3528 54.5985 31.9038 174.3092 9 E 4.5597 8.7804 123.9106 54.8206 31.1389 175.2892 10 H 5.0451 8.4031 119.4766 54.2934 33.1495 171.9220 11 Y 4.6410 8.5880 117.3332 56.2848 40.4880 175.4540 12 I 4.5254 8.1841 124.1723 58.7588 39.7131 173.8682 13 P 4.6145 0.0000 0.0000 62.1483 32.5860 176.4997 14 Y 4.1744 9.0773 118.5828 61.7469 37.8756 179.3961 15 S 4.2154 8.2243 114.4493 61.0314 63.3794 176.4958 16 V 3.7267 7.8326 121.9806 64.0563 31.5522 178.0650 17 A 4.0739 7.5198 118.6229 54.6199 17.9411 179.4240 18 K 3.9006 7.5845 117.1487 60.1088 32.2605 179.1289 19 K 4.5751 7.9066 112.8943 56.4935 31.9496 178.0889 20 L 4.5695 7.8322 120.8395 56.0945 43.1360 177.9215 21 L 4.3770 7.9392 116.1982 55.7553 42.1155 178.5504 22 S 4.2040 8.5415 115.1093 60.8080 63.0283 176.0543 23 D 4.3736 7.5599 121.5581 56.8905 40.6367 178.4919 24 V 3.7438 7.7191 118.0959 63.4338 32.1995 176.2208 25 I 4.2705 7.0420 121.6687 61.2455 36.7094 176.1723 26 K 4.6295 7.6831 117.1746 56.1056 34.6612 177.1358 27 S 4.6119 8.0682 111.5299 58.8087 69.2745 174.6664 28 G 3.9355 7.7403 116.1406 42.3121 0.0000 173.2151 29 S 4.1072 8.4676 121.4519 57.9184 63.5011 174.6320 30 S 4.4723 8.2744 118.5510 57.2680 64.6507 173.1495 31 S 4.6210 7.9893 115.0977 56.9578 64.5092 174.2663 32 N 4.5201 8.5219 116.0143 55.6047 38.2504 176.5724 33 L 4.3772 7.7131 116.9590 55.4674 42.3638 177.6708 34 L 4.6208 7.6856 118.3384 56.1512 43.3238 178.3092 35 Q 4.1602 8.2150 117.3516 58.3248 28.4539 179.2290 36 R 4.0472 7.7368 119.0537 59.7507 30.2286 179.0602 37 T 4.0536 7.8721 114.9624 66.6240 68.2323 176.1153 38 Y 4.2499 8.6863 121.4744 60.8902 38.7995 177.3835 39 D 4.4165 8.0130 118.1145 56.8012 40.8474 178.1531 40 Y 4.2402 8.3445 120.6757 60.5600 38.3509 177.7640 41 L 3.8318 7.9282 119.6150 57.2843 41.4083 179.1966 42 N 4.2608 7.3221 115.1246 56.1929 38.6469 177.0546 43 S 4.3107 7.8145 112.6437 59.6996 63.7280 175.5034 44 V 3.9135 6.8678 121.4394 61.2899 31.7759 175.9066 45 E 3.9024 7.1708 118.7511 57.0242 29.3148 176.6262 46 K 4.5884 8.4435 122.2710 55.6889 33.4207 175.4849 47 C 4.5388 7.5253 113.1004 57.7328 31.5697 172.3778 48 D 4.6670 8.3875 118.0929 53.6019 42.2437 177.5340 49 A 4.2716 8.5518 126.4645 55.6443 18.6463 180.1265 50 E 4.1614 8.0918 116.2012 58.9258 29.6374 178.5591 51 S 4.3866 7.8330 112.0302 59.3228 62.6753 175.8773 52 A 4.0761 7.6906 123.8408 55.0307 17.0181 179.7841 53 Q 3.9637 7.7723 116.0602 58.7663 27.4069 178.6051 54 K 4.2479 8.0155 119.0703 58.5747 32.0144 179.6401 55 V 3.8312 7.5904 120.4076 64.7069 31.6278 178.9278 56 V 3.6719 7.3910 119.6666 64.1267 30.9566 178.2969 57 E 3.9739 7.4208 116.0560 59.3805 29.4489 178.6271 58 E 4.1981 7.4908 114.4958 58.2238 29.6892 178.8483 59 L 4.3864 7.3434 119.3550 56.7003 42.5939 178.4287 60 S 4.4830 7.7962 115.5925 58.2397 61.5776 172.9873 61 S 4.4671 8.0618 120.6427 59.8293 66.9324 175.0374 62 I 4.3106 7.3569 119.6094 58.7436 38.9610 176.1790 63 I 3.9580 7.9681 122.2011 61.7259 35.1460 174.2155 64 S 4.6898 7.7900 119.9161 56.5802 67.0325 172.9437 65 R 4.6288 8.0186 119.2924 54.5184 32.3538 177.1845 66 E 3.8274 8.4485 117.8526 58.4493 29.6972 178.3344 67 D 3.3700 7.7491 118.9791 55.4312 40.1880 178.9498 68 V 3.4578 7.5507 119.7489 64.4063 31.6104 178.3119 69 R 4.0330 7.4014 116.4897 57.8313 29.5991 177.9518 70 A 4.4188 7.7932 120.5111 54.0204 19.2202 179.4010 71 V 3.8338 7.4039 117.2436 64.2480 31.7107 177.7914 72 L 4.2093 7.7750 117.6933 55.4902 41.5702 178.3500 73 A 4.1198 7.6204 120.5406 53.9486 18.4303 178.1260 74 S 4.6774 7.9650 108.9059 58.4630 65.2911 175.7462 75 I 3.6296 7.4893 121.7605 64.2945 37.1408 175.0483 76 C 3.7085 7.3224 117.6533 59.5656 24.7969 170.4199 77 P 4.4939 0.0000 0.0000 62.4170 32.5096 177.2157 78 I 4.0723 8.3387 122.6370 63.8151 38.0570 176.6631 79 T 4.2954 7.5352 116.7915 62.0208 69.1612 173.9170 80 P 4.2794 0.0000 0.0000 66.3396 30.8649 178.6158 81 D 4.3921 7.9907 118.2395 57.2436 41.0197 178.0376 82 E 4.0422 8.0934 119.6678 58.5432 29.3840 178.5413 83 V 3.9520 7.0818 117.7235 63.3144 31.7329 177.7331 84 R 4.1893 7.6845 118.1332 57.4641 29.6625 177.6392 85 S 4.5073 7.3853 111.7560 59.0705 63.4203 174.7828 86 I 4.5624 7.1937 119.9368 59.7861 36.8137 175.7794 87 L 4.5745 7.6172 119.1479 54.6322 42.5373 177.8553 88 I 3.9214 7.5085 113.5459 63.6590 38.2341 176.9427 89 M 4.3346 7.8514 116.7695 55.8393 31.9891 176.1169 90 D 4.8068 7.6930 118.7843 54.5603 42.9738 178.1257 91 S 3.8827 7.5341 113.2443 60.5488 62.4997 174.1543 92 N 4.4793 7.3709 119.1548 53.5447 39.1123 175.9330 *93 R 4.1415 8.3211 117.1261 56.6513 30.1939 176.5243 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 3 S 8.32 4.36 0.00 4.10 4.05 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 0.00 0.00 0.00 0.00 4 V 7.40 4.26 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 0.64 0.00 0.00 0.91 0.00 0.00 5 Y 8.71 4.13 0.00 2.99 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 6 I 8.35 4.29 1.89 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 1.45 0.36 0.91 0.00 0.00 7 V 8.40 4.32 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 0.79 0.00 0.00 0.94 0.00 0.00 8 E 8.08 4.50 0.00 1.94 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 2.22 2.27 0.00 9 E 8.78 4.56 0.00 1.92 1.82 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 2.14 2.26 0.00 10 H 8.40 5.05 0.00 3.07 3.18 0.00 5.64 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 8.59 4.64 0.00 2.91 2.85 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 12 I 8.18 4.53 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.56 0.91 0.00 0.00 13 P 0.00 4.61 0.00 2.30 2.38 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.02 0.00 14 Y 9.08 4.17 0.00 2.96 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 15 S 8.22 4.22 0.00 4.15 4.16 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 16 V 7.83 3.73 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 0.85 0.00 0.00 0.99 0.00 0.00 17 A 7.52 4.07 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 18 K 7.58 3.90 0.00 1.92 1.92 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.44 7.81 19 K 7.91 4.58 0.00 1.81 1.86 0.00 1.64 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.40 7.81 20 L 7.83 4.57 0.00 1.96 1.68 1.01 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.94 4.38 0.00 1.76 1.81 1.04 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.54 4.20 0.00 4.17 4.50 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 23 D 7.56 4.37 0.00 3.00 2.76 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 24 V 7.72 3.74 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 0.77 0.00 0.00 0.94 0.00 0.00 25 I 7.04 4.27 1.81 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.31 0.81 0.00 0.00 26 K 7.68 4.63 0.00 1.82 1.77 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.37 7.81 27 S 8.07 4.61 0.00 3.91 3.89 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 28 G 7.74 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 29 S 8.47 4.11 0.00 3.96 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 30 S 8.27 4.47 0.00 3.97 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 31 S 7.99 4.62 0.00 4.02 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 32 N 8.52 4.52 0.00 2.86 2.91 0.00 0.00 6.86 6.74 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 33 L 7.71 4.38 0.00 1.65 1.70 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.69 4.62 0.00 1.82 1.66 0.91 0.97 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 35 Q 8.22 4.16 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 36 R 7.74 4.05 0.00 1.98 1.99 0.00 3.12 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 37 T 7.87 4.05 4.35 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 1.32 0.00 0.00 38 Y 8.69 4.25 0.00 2.95 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 39 D 8.01 4.42 0.00 2.93 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 40 Y 8.34 4.24 0.00 3.13 3.25 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 0.00 41 L 7.93 3.83 0.00 1.74 1.66 1.19 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 42 N 7.32 4.26 0.00 2.83 2.77 0.00 0.00 7.02 7.45 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 43 S 7.81 4.31 0.00 3.96 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 44 V 6.87 3.91 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 0.53 0.00 0.00 0.47 0.00 0.00 45 E 7.17 3.90 0.00 2.10 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 2.32 2.44 0.00 46 K 8.44 4.59 0.00 1.57 1.70 0.00 1.56 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.38 7.81 47 C 7.53 4.54 0.00 3.03 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 48 D 8.39 4.67 0.00 2.63 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.55 4.27 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 50 E 8.09 4.16 0.00 2.03 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 2.40 2.40 0.00 51 S 7.83 4.39 0.00 3.92 3.89 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 52 A 7.69 4.08 1.41 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 0.00 0.00 53 Q 7.77 3.96 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 54 K 8.02 4.25 0.00 1.81 1.86 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.50 7.81 55 V 7.59 3.83 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 1.00 0.00 0.00 0.94 0.00 0.00 56 V 7.39 3.67 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 0.88 0.00 0.00 1.03 0.00 0.00 57 E 7.42 3.97 0.00 1.96 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 0.00 2.36 2.53 0.00 58 E 7.49 4.20 0.00 1.92 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 2.35 2.35 0.00 59 L 7.34 4.39 0.00 1.70 1.73 1.03 0.84 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 60 S 7.80 4.48 0.00 4.05 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 61 S 8.06 4.47 0.00 3.93 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 62 I 7.36 4.31 1.87 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 1.30 0.61 0.91 0.00 0.00 63 I 7.97 3.96 1.87 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 1.41 1.01 0.91 0.00 0.00 64 S 7.79 4.69 0.00 3.82 3.70 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 65 R 8.02 4.63 0.00 1.83 1.83 0.00 3.08 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 66 E 8.45 3.83 0.00 1.96 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 2.32 2.29 0.00 67 D 7.75 3.37 0.00 2.15 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 0.00 0.00 0.00 0.00 68 V 7.55 3.46 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 0.86 0.00 0.00 0.91 0.00 0.00 69 R 7.40 4.03 0.00 1.70 2.04 0.00 3.22 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 70 A 7.79 4.42 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 V 7.40 3.83 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 0.90 0.00 0.00 1.07 0.00 0.00 72 L 7.78 4.21 0.00 1.84 1.75 0.96 1.25 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 73 A 7.62 4.12 1.43 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 0.00 0.00 74 S 7.97 4.68 0.00 4.07 4.08 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 0.00 0.00 0.00 75 I 7.49 3.63 1.88 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.44 0.88 0.00 0.00 76 C 7.32 3.71 0.00 3.24 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 77 P 0.00 4.49 0.00 2.17 2.11 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 78 I 8.34 4.07 1.86 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 1.40 0.57 0.90 0.00 0.00 79 T 7.54 4.30 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 80 P 0.00 4.28 0.00 2.25 2.33 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 81 D 7.99 4.39 0.00 2.78 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 82 E 8.09 4.04 0.00 2.02 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 2.29 2.35 0.00 83 V 7.08 3.95 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 0.86 0.00 0.00 0.93 0.00 0.00 84 R 7.68 4.19 0.00 2.11 2.00 0.00 3.12 0.00 0.00 3.22 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 85 S 7.39 4.51 0.00 4.11 3.97 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 0.00 0.00 0.00 0.00 86 I 7.19 4.56 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 1.30 0.56 0.90 0.00 0.00 87 L 7.62 4.57 0.00 1.71 1.66 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.51 3.92 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 0.82 0.91 0.00 0.00 89 M 7.85 4.33 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.59 0.00 90 D 7.69 4.81 0.00 2.82 2.66 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 0.00 0.00 0.00 0.00 91 S 7.53 3.88 0.00 3.79 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 92 N 7.37 4.48 0.00 2.76 2.72 0.00 0.00 6.82 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *93 R 8.32 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.