NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 A 4.3435 8.2493 123.5843 51.0685 19.9484 176.6906 24 P 4.2358 0.0000 0.0000 62.0035 32.1913 174.2749 25 D 4.5848 8.7402 120.7191 53.3819 41.4874 175.8040 26 A 4.5098 7.2747 120.5425 51.3447 22.6991 175.9936 27 V 4.6083 7.7306 117.9797 61.4080 33.5573 174.4029 *29 V 4.0417 8.0989 118.6978 63.2520 32.1859 175.6638 30 F 4.9764 9.2258 127.0104 55.7599 41.3237 174.9088 31 A 5.3999 8.6633 123.6253 50.3189 22.5327 175.0402 32 R 4.7032 9.2818 121.4077 54.1465 33.2853 174.5263 33 Q 3.6859 9.0807 128.1058 55.9940 29.3065 175.6442 34 G 4.2473 8.3714 114.9783 46.2551 0.0000 173.0522 35 D 4.7223 8.6993 123.2859 54.1496 42.5300 175.3345 36 K 5.0571 8.4797 120.6056 55.1009 34.3201 175.9232 37 G 4.3453 9.0510 111.0794 45.7781 0.0000 171.0190 38 S 5.1586 8.3702 112.3256 57.1963 66.1761 173.8119 39 V 4.2765 8.3714 120.4479 61.1880 34.8150 174.0446 40 S 5.1655 8.4585 121.3133 56.5496 65.5790 173.6002 41 V 4.3153 9.0412 127.0438 61.1013 34.6514 175.4865 42 G 3.7600 8.4147 115.7419 46.8999 0.0000 173.7929 43 D 4.5224 8.9696 123.5949 52.9822 39.8573 175.3639 44 K 4.4863 8.1033 122.8862 55.0233 33.7570 174.2239 45 H 5.5915 8.5984 122.5806 54.1469 32.3351 172.6843 46 F 5.1972 8.9793 116.3391 55.8535 41.7347 173.3272 47 R 5.1184 9.3601 120.0650 55.2385 32.3182 175.5150 48 T 5.2802 9.0505 112.4425 60.0054 72.4341 172.5712 49 Q 5.0372 9.3756 124.6722 54.5118 32.1326 174.0366 50 A 5.2184 8.8190 128.4630 51.2124 21.1579 175.8102 51 F 5.2808 9.3823 117.8706 55.6939 44.0265 173.7042 52 K 4.9742 9.0757 123.5843 55.3832 33.8253 175.4279 53 V 5.1143 9.1411 127.1992 61.0971 35.0689 173.9339 54 R 5.0935 9.3225 127.3308 54.5868 33.2355 173.7220 55 L 5.0096 9.0771 126.7028 53.1120 43.7871 175.5358 56 V 4.7385 8.3829 122.9828 61.0717 34.7153 173.9447 57 N 4.6834 9.3169 128.4556 52.9531 38.4462 175.1067 58 A 4.2817 8.4483 128.2070 54.0386 19.2108 177.3662 59 A 4.2686 8.0062 116.9762 51.8294 19.2686 177.9595 60 K 4.3037 8.6333 116.9267 56.7194 32.5732 176.8455 61 S 4.8828 7.4653 112.7836 55.8552 66.3163 173.3817 62 E 4.3564 8.7715 121.6998 56.4334 30.4507 175.7949 63 I 4.5898 8.3881 126.4878 59.3648 40.4156 174.8258 64 S 4.6250 8.8103 122.0908 57.9414 63.2237 173.5842 65 L 4.6952 8.8150 125.5309 54.3843 42.3264 178.2485 66 K 3.8539 8.0860 122.2435 59.5871 31.8889 177.5610 67 N 4.8747 8.0893 114.2128 53.1988 38.7052 174.1673 68 S 5.1840 7.6911 113.9702 57.1381 66.3829 170.9433 69 C 5.0047 8.9884 115.0707 54.0758 45.3667 172.9974 70 L 4.9991 8.4987 120.3986 54.7622 42.2689 176.8249 71 V 4.6828 9.0229 116.1718 59.5415 35.8337 174.4741 72 A 4.6754 7.5005 125.6812 50.5217 21.2186 175.9501 73 Q 5.0623 8.8218 117.7833 54.9797 32.7290 174.2952 74 S 5.1896 8.8541 115.8640 56.7925 65.3401 174.8214 75 A 3.9109 8.8152 122.3949 55.4215 17.9780 178.6827 76 A 4.0676 7.8912 115.8622 53.3016 18.6423 178.1605 77 G 3.8681 8.1688 104.3962 44.8138 0.0000 173.4061 78 Q 3.9909 7.5934 120.7644 55.8094 29.9974 175.1666 79 S 4.9241 8.1144 121.6493 57.0016 64.8685 173.3586 80 F 5.0817 8.4931 121.0809 55.3721 42.3577 175.1219 81 R 4.3722 8.7254 119.5291 55.9815 31.0501 175.5749 82 L 4.1924 8.4747 123.6718 54.5409 42.3135 175.7874 83 D 4.5945 8.9705 127.7544 56.9563 41.6492 176.2868 84 T 4.9199 7.5190 106.6828 60.4048 72.6136 172.6736 85 V 4.8587 7.9506 120.3895 60.3101 34.4410 173.7852 86 D 4.4576 8.9635 123.4578 54.3102 41.5376 177.1209 87 E 3.9200 9.0736 122.6506 59.4909 29.8462 178.9223 88 E 3.9440 8.2526 116.8415 59.3562 29.5346 177.8658 89 L 4.2684 7.7840 116.4876 56.0578 41.9584 177.2694 90 T 4.3575 7.8557 108.7102 61.0448 68.9111 174.7766 91 A 4.0256 7.8991 124.6581 53.2039 18.9347 177.8964 92 D 4.6672 8.7823 122.0338 57.1741 42.4625 175.7018 93 T 5.1321 7.6832 105.8043 60.0916 72.5887 172.9562 94 L 4.7577 8.6462 123.8120 52.9794 44.8093 176.1106 95 K 4.6256 8.7061 125.6705 55.2061 33.6298 174.8136 96 P 4.4825 0.0000 0.0000 64.4671 31.3738 177.1547 97 G 3.8760 8.8206 109.6866 45.5033 0.0000 173.2216 98 A 4.6547 7.7229 121.7549 51.1131 20.8959 176.5445 99 S 5.2874 8.4537 114.0509 56.9899 66.9261 173.9792 100 V 4.6772 8.6327 114.6754 60.0285 36.0860 174.3466 101 E 5.0569 8.1737 121.4047 55.0192 32.6622 174.3488 102 G 4.0366 8.3538 110.0653 46.5912 0.0000 171.4597 103 D 5.6014 8.9155 119.4570 53.2221 43.0827 176.1753 104 A 4.9606 9.1518 122.6465 50.3544 23.0275 175.0000 105 I 4.9224 8.5934 122.8244 59.5741 40.3082 175.1168 106 F 5.4300 9.3283 125.1304 55.9728 42.0557 174.4784 107 A 5.4689 8.9551 121.3255 50.7882 22.4849 175.6188 108 S 4.7175 8.7673 112.9102 56.9278 66.4483 175.3004 109 E 4.3600 9.1064 121.1017 58.9073 29.9452 176.7730 110 D 4.9948 7.6452 118.3591 52.8014 41.5006 176.5349 111 D 4.4121 8.5802 119.5212 55.1456 41.0087 177.6786 112 A 4.0315 8.1725 124.0321 55.0433 18.3429 180.3583 113 V 2.0000 7.5824 117.8364 64.3568 30.9825 178.0987 114 Y 4.5428 7.4707 116.7783 60.1694 37.7239 177.3103 115 G 3.9919 7.8417 104.7420 43.5853 0.0000 173.6687 116 A 4.4105 7.4402 125.5695 52.5761 18.6717 177.5813 117 S 4.9110 8.9944 115.9035 57.5546 64.9945 173.6712 118 L 4.5355 7.7408 121.8944 54.0845 45.4797 174.0218 119 V 4.5718 8.2254 125.8749 61.0015 33.6249 174.4693 120 R 4.7184 8.7669 123.1789 54.7562 33.5740 173.6670 121 L 5.0327 8.3142 118.7353 54.0133 43.2663 176.2135 122 S 4.7071 8.8862 115.5640 56.8751 66.4128 173.8049 123 D 5.1446 8.5905 121.1889 52.4072 39.4585 177.2611 124 R 4.4350 7.9937 121.0980 54.9145 29.2000 175.7108 125 C 4.5977 8.2209 118.4929 56.8402 42.0351 174.2399 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 23 A 8.25 4.34 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.24 0.00 2.26 2.06 0.00 3.78 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 25 D 8.74 4.58 0.00 2.64 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 26 A 7.27 4.51 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 27 V 7.73 4.61 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 0.99 0.00 0.00 0.94 0.00 0.00 *29 V 8.10 4.04 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 0.85 0.00 0.00 0.90 0.00 0.00 30 F 9.23 4.98 0.00 3.05 2.96 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 0.00 0.00 0.00 0.00 31 A 8.66 5.40 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 32 R 9.28 4.70 0.00 1.92 1.84 0.00 3.13 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 33 Q 9.08 3.69 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.50 0.00 0.00 0.00 0.00 0.00 2.10 1.97 0.00 34 G 8.37 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 0.00 0.00 0.00 0.00 35 D 8.70 4.72 0.00 2.60 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 36 K 8.48 5.06 0.00 1.41 1.40 0.00 1.25 0.00 0.00 0.61 0.00 0.00 2.71 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.33 1.22 7.81 37 G 9.05 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 0.00 0.00 0.00 0.00 38 S 8.37 5.16 0.00 3.87 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 39 V 8.37 4.28 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 0.76 0.00 0.00 0.70 0.00 0.00 40 S 8.46 5.17 0.00 3.85 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 41 V 9.04 4.32 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 0.68 0.00 0.00 0.93 0.00 0.00 42 G 8.41 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 0.00 0.00 0.00 43 D 8.97 4.52 0.00 2.79 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 44 K 8.10 4.49 0.00 1.79 1.88 0.00 1.63 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.53 1.47 7.81 45 H 8.60 5.59 0.00 3.08 3.12 0.00 5.75 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.98 5.20 0.00 3.22 3.07 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 0.00 0.00 0.00 0.00 47 R 9.36 5.12 0.00 1.70 1.45 0.00 3.14 0.00 0.00 3.41 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 48 T 9.05 5.28 4.37 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 1.47 0.00 0.00 49 Q 9.38 5.04 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.87 0.00 0.00 0.00 0.00 0.00 2.15 1.89 0.00 50 A 8.82 5.22 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 51 F 9.38 5.28 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.08 4.97 0.00 1.95 1.75 0.00 1.49 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.49 7.81 53 V 9.14 5.11 2.17 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 1.00 0.00 0.00 1.07 0.00 0.00 54 R 9.32 5.09 0.00 1.89 1.80 0.00 2.89 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 55 L 9.08 5.01 0.00 1.65 1.60 0.95 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.38 4.74 2.34 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 1.06 0.00 0.00 1.03 0.00 0.00 57 N 9.32 4.68 0.00 2.82 2.88 0.00 0.00 6.67 7.67 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 58 A 8.45 4.28 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 59 A 8.01 4.27 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 60 K 8.63 4.30 0.00 1.76 1.86 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.36 7.81 61 S 7.47 4.88 0.00 3.82 3.79 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 62 E 8.77 4.36 0.00 2.01 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 2.29 2.52 0.00 63 I 8.39 4.59 1.88 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 1.12 0.75 0.91 0.00 0.00 64 S 8.81 4.63 0.00 3.88 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 65 L 8.82 4.70 0.00 1.83 1.62 0.94 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.09 3.85 0.00 1.83 1.84 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.53 7.81 67 N 8.09 4.87 0.00 2.78 2.78 0.00 0.00 6.87 7.57 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 68 S 7.69 5.18 0.00 3.87 3.73 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 69 C 8.99 5.00 0.00 2.96 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 70 L 8.50 5.00 0.00 1.70 1.89 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 71 V 9.02 4.68 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 0.74 0.00 0.00 0.89 0.00 0.00 72 A 7.50 4.68 0.18 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 0.00 0.00 73 Q 8.82 5.06 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.62 0.00 0.00 0.00 0.00 0.00 2.15 2.26 0.00 74 S 8.85 5.19 0.00 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 0.00 75 A 8.82 3.91 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 76 A 7.89 4.07 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.17 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 78 Q 7.59 3.99 0.00 2.08 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.55 6.71 0.00 0.00 0.00 0.00 0.00 1.58 2.08 0.00 79 S 8.11 4.92 0.00 3.59 3.61 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 0.00 0.00 0.00 80 F 8.49 5.08 0.00 2.96 3.15 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 0.00 0.00 0.00 81 R 8.73 4.37 0.00 1.89 2.07 0.00 2.85 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 82 L 8.47 4.19 0.00 1.62 1.61 0.23 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.97 4.59 0.00 2.60 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 84 T 7.52 4.92 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 1.23 0.00 0.00 85 V 7.95 4.86 1.98 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 0.65 0.00 0.00 0.95 0.00 0.00 86 D 8.96 4.46 0.00 2.64 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 87 E 9.07 3.92 0.00 2.00 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 0.00 2.38 2.35 0.00 88 E 8.25 3.94 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 2.33 2.42 0.00 89 L 7.78 4.27 0.00 1.79 1.73 1.04 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 90 T 7.86 4.36 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 1.27 0.00 0.00 91 A 7.90 4.03 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.78 4.67 0.00 2.78 2.68 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 93 T 7.68 5.13 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 1.21 0.00 0.00 94 L 8.65 4.76 0.00 1.76 1.53 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.71 4.63 0.00 1.73 1.72 0.00 1.75 0.00 0.00 1.96 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.53 1.39 7.81 96 P 0.00 4.48 0.00 2.18 2.16 0.00 3.84 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 97 G 8.82 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 98 A 7.72 4.65 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 99 S 8.45 5.29 0.00 3.71 3.73 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 0.00 100 V 8.63 4.68 2.21 0.00 0.00 0.00 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 0.96 0.00 0.00 101 E 8.17 5.06 0.00 1.89 1.77 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 2.22 2.43 0.00 102 G 8.35 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 0.00 103 D 8.92 5.60 0.00 2.69 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 A 9.15 4.96 1.13 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 0.00 0.00 105 I 8.59 4.92 1.85 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 1.27 0.70 0.99 0.00 0.00 106 F 9.33 5.43 0.00 3.18 3.14 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 0.00 0.00 0.00 0.00 107 A 8.96 5.47 1.03 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 0.00 0.00 0.00 0.00 0.00 108 S 8.77 4.72 0.00 3.98 4.07 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 0.00 0.00 0.00 0.00 109 E 9.11 4.36 0.00 2.01 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 2.36 2.42 0.00 110 D 7.65 4.99 0.00 2.78 2.71 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 0.00 111 D 8.58 4.41 0.00 2.85 2.88 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 0.00 112 A 8.17 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.58 2.00 1.55 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 0.31 0.00 0.00 0.67 0.00 0.00 114 Y 7.47 4.54 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 0.00 115 G 7.84 3.99 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 0.00 0.00 0.00 116 A 7.44 4.41 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 0.00 117 S 8.99 4.91 0.00 3.87 3.95 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 0.00 0.00 0.00 118 L 7.74 4.54 0.00 1.71 1.43 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 119 V 8.23 4.57 1.86 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 0.79 0.00 0.00 -0.05 0.00 0.00 120 R 8.77 4.72 0.00 1.79 1.88 0.00 2.87 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.53 0.00 121 L 8.31 5.03 0.00 1.53 1.62 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 122 S 8.89 4.71 0.00 3.83 3.62 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 0.00 0.00 0.00 0.00 123 D 8.59 5.14 0.00 2.88 2.71 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 0.00 124 R 7.99 4.44 0.00 1.77 1.90 0.00 3.08 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 125 C 8.22 4.60 0.00 2.90 2.92 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 * Residues marked with a * may have inaccurate shift predictions.