NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 S 4.4455 8.3193 117.0960 57.8597 63.9683 174.2606 22 V 3.6070 7.6020 122.4804 60.8236 32.2947 173.9553 23 N 4.9327 8.7282 123.0665 51.5687 41.9068 174.3037 24 S 4.8176 8.1961 118.3566 57.3091 65.8113 172.9695 25 V 4.5998 8.5722 123.6441 61.8972 35.4374 173.7522 26 T 5.1874 8.2929 121.2176 62.1407 72.2922 173.2435 27 L 4.9462 9.0136 125.1455 53.1017 46.5188 175.7936 28 V 5.3050 7.9959 120.6564 59.9814 34.7851 174.7380 29 G 4.1336 8.2246 112.9928 45.8492 0.0000 171.1542 30 V 4.9630 7.7316 119.2049 62.6318 32.8965 175.3759 31 V 4.8952 8.1538 126.0475 62.2809 33.9296 174.0235 32 H 5.7703 9.1387 121.7341 54.1123 33.6502 172.8606 33 D 4.6858 8.5836 116.7999 55.5175 37.9314 173.9945 34 I 4.5615 7.2739 120.3183 61.4222 38.3882 177.5821 35 Q 4.5899 9.0344 124.6140 54.1630 33.2770 174.5233 36 S 4.8085 8.1360 121.0428 60.1578 64.9296 174.1970 37 G 4.0132 9.1312 113.5333 46.0775 0.0000 171.0641 38 F 5.0259 8.4655 118.7441 56.0773 41.3572 177.2324 39 V 4.0035 8.9561 124.7413 60.3080 32.5558 173.1246 *40 Y 4.5384 8.4925 119.8856 59.8805 36.3680 173.7642 41 E 3.9914 8.4728 124.6859 55.2291 27.0244 175.0041 42 D 4.3533 8.7973 118.1564 53.4286 45.0667 175.8532 43 A 3.0801 8.4449 128.3794 52.3840 18.2869 176.2645 44 V 4.3501 8.5599 122.3093 62.1205 35.8170 175.1391 45 T 5.6392 8.4152 119.9485 62.3319 70.9508 173.5896 46 Q 5.3270 8.4257 125.2988 54.5660 31.7565 174.4189 47 F 5.2233 7.6241 111.1866 57.2444 40.6653 172.7871 48 T 4.7917 8.4889 117.3680 62.7646 70.3627 173.8853 49 L 5.6934 8.6782 128.3212 52.5357 43.2544 174.5303 50 T 4.6952 8.5310 122.9241 63.4182 69.9313 173.3358 51 T 4.8199 8.6001 116.8335 60.0904 71.7148 173.1903 52 T 4.7200 8.5503 122.0976 63.2360 69.2974 175.1540 53 S 4.5381 9.6361 125.1642 56.3784 64.6169 171.4902 54 I 3.9234 8.4212 123.5464 61.0937 35.5846 175.5616 55 D 4.5208 8.7953 129.2303 53.0456 40.4883 175.1163 56 T 4.0504 8.2505 114.8456 62.2778 66.0396 173.9936 *62 E 4.1696 8.0435 121.1636 56.4357 31.1229 178.6809 63 V 4.5827 8.1085 123.9967 59.0070 33.4541 170.6867 64 V 4.6330 7.4948 120.8610 59.0458 35.5886 173.5785 65 V 4.8112 8.1151 120.0132 60.0206 34.5908 174.4413 66 E 4.8247 8.3581 119.2259 54.6415 32.5030 174.9230 67 K 5.0957 8.4742 119.6085 55.0908 36.1847 175.8732 68 D 4.3001 8.6270 121.2214 53.6498 44.4712 174.6971 69 H 4.8835 8.4571 122.1065 55.3457 29.5504 174.6603 70 H 4.8729 8.4375 121.2317 54.1261 31.2802 174.5550 71 T 4.3916 8.4942 120.0169 63.5437 69.1759 173.3581 72 I 4.4088 8.4206 129.4020 60.0169 38.7417 175.2102 73 R 4.6391 9.0556 128.2624 54.7380 32.5408 173.9181 74 C 5.2929 8.3906 124.3207 59.1720 29.6211 173.8570 75 F 4.8817 9.4428 123.4594 56.5208 41.0435 173.3677 76 G 3.7391 8.8146 111.1553 45.2932 0.0000 173.6581 77 E 4.2915 8.5651 127.2708 59.3972 30.2521 179.5151 78 L 4.0021 8.0169 118.2799 57.8043 41.7538 178.8998 79 F 4.6555 8.2101 121.2761 60.8638 39.3606 176.7605 80 S 3.9689 9.7148 112.7145 61.4153 62.1022 176.1476 81 A 3.8885 7.9988 123.5518 55.0356 18.3260 179.1385 82 E 3.8113 8.2702 116.2443 59.6620 29.4183 179.3903 83 V 3.2493 7.5121 119.3567 65.5109 31.3008 177.5537 84 K 3.6927 7.6274 117.7402 59.6669 31.9158 177.9445 85 Q 4.0644 7.7994 118.2264 59.0311 29.2955 177.8084 86 K 4.1777 8.1369 118.3556 57.5188 32.1290 177.4054 87 V 3.7838 7.1344 119.5321 61.6039 31.6452 175.6568 88 K 4.3682 8.2858 127.0733 54.5001 34.0812 176.1460 89 E 3.9689 8.3841 120.7251 57.0249 30.0789 176.4845 90 G 3.9016 8.2308 110.1872 46.5553 0.0000 173.5672 91 N 4.7182 7.3156 116.6850 52.0644 41.2604 174.0961 92 V 5.3391 7.9728 117.9428 60.7855 34.3522 174.7389 93 V 4.8583 8.4099 120.4916 59.6005 36.1657 174.2411 94 C 5.0294 8.9517 123.0193 57.9787 33.5597 172.6726 95 V 4.6829 8.9762 127.9030 61.5636 32.9356 174.0531 96 N 5.5606 8.2285 126.1202 50.8065 40.8189 175.2848 97 G 4.1838 7.8611 108.0566 46.8062 0.0000 171.0478 98 R 4.8581 7.6893 118.1553 54.5295 32.3896 175.8473 99 L 4.5066 8.4745 124.7601 54.2544 43.1337 175.8476 100 R 4.6152 8.1116 124.5729 54.2042 34.0004 174.9021 101 L 4.7998 8.2268 119.7398 53.2696 44.8517 175.8474 102 S 4.7837 9.1558 120.1414 56.0803 63.4487 173.2710 103 P 3.8558 0.0000 0.0000 65.1090 32.4829 179.5102 104 Q 2.7490 8.6428 115.7022 54.4655 27.9041 180.0349 105 L 3.1193 6.7863 118.0590 56.3190 36.7165 173.8378 106 E 4.6920 8.0571 120.7197 52.8811 32.8299 175.2589 107 P 4.5600 0.0000 0.0000 65.7658 31.1149 178.8152 108 S 4.1323 9.7572 114.9994 59.6005 60.8359 165.5463 109 C 4.7079 7.4435 113.3562 59.6108 32.2084 174.7406 110 N 4.9313 8.1759 119.5024 49.6618 37.4737 172.0098 111 K 4.4658 7.6876 121.9377 53.7137 35.5672 174.1639 112 H 4.9493 8.8290 116.4047 53.8333 29.9928 173.8406 113 F 5.0496 8.2821 120.5671 55.5492 40.8894 174.0080 *114 Y 4.9554 8.5027 120.7230 55.7337 39.8682 175.1733 115 F 5.0757 9.5918 125.6993 56.2559 40.9074 173.2563 116 P 4.8345 0.0000 0.0000 61.4355 30.1337 173.3566 117 Y 4.5680 7.8545 124.4002 55.8483 41.0125 175.7202 118 I 3.9508 8.7583 124.9841 60.0937 38.1383 174.6006 119 Q 4.7809 8.4454 130.2117 55.9245 30.3019 174.8944 120 V 4.4554 9.2880 126.7892 61.4975 34.6357 174.6888 121 Q 4.3705 8.4535 126.8385 54.5962 30.8697 172.3488 122 P 4.3925 0.0000 0.0000 62.3672 31.9294 174.1287 123 P 4.6388 0.0000 0.0000 63.7766 32.6284 178.2197 *124 H 4.2109 8.4203 117.6318 55.5306 26.6302 180.2500 125 G 4.8925 8.7221 109.4071 46.1399 0.0000 172.4577 126 Q 4.7774 7.9894 116.6265 55.9227 31.9713 172.7989 127 V 4.6898 8.6962 118.1084 61.4910 33.7646 174.9270 128 A 4.6509 8.6660 129.8319 51.0282 20.9440 175.7134 129 V 4.6713 8.2153 118.2327 61.3382 34.0268 175.2958 130 I 4.5922 8.6621 128.0152 61.5277 39.2715 176.0712 *131 H 4.2309 7.9412 123.6030 55.1959 28.6348 179.1143 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 21 S 8.32 4.45 0.00 3.65 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 22 V 7.60 3.61 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 0.79 0.00 0.00 0.91 0.00 0.00 23 N 8.73 4.93 0.00 2.60 2.66 0.00 0.00 6.90 7.63 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 24 S 8.20 4.82 0.00 3.84 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 25 V 8.57 4.60 2.20 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 0.82 0.00 0.00 0.86 0.00 0.00 26 T 8.29 5.19 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 27 L 9.01 4.95 0.00 1.57 1.53 0.80 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.00 5.31 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 1.07 0.00 0.00 0.95 0.00 0.00 29 G 8.22 4.13 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 0.00 30 V 7.73 4.96 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 0.99 0.00 0.00 0.97 0.00 0.00 31 V 8.15 4.90 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 0.72 0.00 0.00 0.83 0.00 0.00 32 H 9.14 5.77 0.00 3.14 3.14 0.00 5.79 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.58 4.69 0.00 2.85 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 34 I 7.27 4.56 1.85 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 1.05 0.28 0.86 0.00 0.00 35 Q 9.03 4.59 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.54 0.00 0.00 0.00 0.00 0.00 2.29 2.58 0.00 36 S 8.14 4.81 0.00 3.75 3.59 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 37 G 9.13 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 38 F 8.47 5.03 0.00 2.93 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 39 V 8.96 4.00 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 0.70 0.00 0.00 0.93 0.00 0.00 *40 Y 8.49 4.54 0.00 2.32 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 0.00 0.00 0.00 0.00 41 E 8.47 3.99 0.00 2.12 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 0.00 2.13 1.88 0.00 42 D 8.80 4.35 0.00 2.83 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 43 A 8.44 3.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.56 4.35 1.84 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 0.62 0.00 0.00 0.53 0.00 0.00 45 T 8.42 5.64 4.19 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 1.22 0.00 0.00 46 Q 8.43 5.33 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.24 0.00 47 F 7.62 5.22 0.00 3.33 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 48 T 8.49 4.79 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 1.27 0.00 0.00 49 L 8.68 5.69 0.00 1.77 1.62 1.08 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.53 4.70 4.39 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 1.30 0.00 0.00 51 T 8.60 4.82 4.30 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 52 T 8.55 4.72 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 1.22 0.00 0.00 53 S 9.64 4.54 0.00 3.81 3.74 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 54 I 8.42 3.92 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 1.20 0.62 0.91 0.00 0.00 55 D 8.80 4.52 0.00 2.69 2.49 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 56 T 8.25 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 1.21 0.00 0.00 *62 E 8.04 4.17 0.00 2.01 1.85 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 2.13 1.88 0.00 63 V 8.11 4.58 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 0.82 0.00 0.00 0.93 0.00 0.00 64 V 7.49 4.63 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 65 V 8.12 4.81 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 0.92 0.00 0.00 0.93 0.00 0.00 66 E 8.36 4.82 0.00 1.87 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 2.26 2.23 0.00 67 K 8.47 5.10 0.00 1.58 1.63 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.33 1.42 7.81 68 D 8.63 4.30 0.00 2.53 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 69 H 8.46 4.88 0.00 3.03 3.23 0.00 5.67 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 H 8.44 4.87 0.00 3.02 3.13 0.00 5.61 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.49 4.39 4.14 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 1.40 0.00 0.00 72 I 8.42 4.41 0.56 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.53 0.79 0.00 0.00 73 R 9.06 4.64 0.00 2.04 2.26 0.00 2.76 0.00 0.00 3.01 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.35 0.00 74 C 8.39 5.29 0.00 3.14 3.08 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 F 9.44 4.88 0.00 2.91 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 76 G 8.81 3.74 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 0.00 0.00 0.00 77 E 8.57 4.29 0.00 2.00 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 2.39 2.34 0.00 78 L 8.02 4.00 0.00 1.81 1.75 0.96 1.03 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 79 F 8.21 4.66 0.00 3.15 3.36 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 80 S 9.71 3.97 0.00 3.95 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 81 A 8.00 3.89 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 82 E 8.27 3.81 0.00 2.12 2.20 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 2.39 2.09 0.00 83 V 7.51 3.25 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 0.85 0.00 0.00 -0.17 0.00 0.00 84 K 7.63 3.69 0.00 1.76 1.95 0.00 1.67 0.00 0.00 1.59 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.46 7.81 85 Q 7.80 4.06 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 86 K 8.14 4.18 0.00 1.73 1.78 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.50 1.54 7.81 87 V 7.13 3.78 1.76 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 0.28 0.00 0.00 0.75 0.00 0.00 88 K 8.29 4.37 0.00 1.98 1.66 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.30 7.81 89 E 8.38 3.97 0.00 2.01 1.78 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 2.37 2.35 0.00 90 G 8.23 3.90 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 0.00 0.00 0.00 91 N 7.32 4.72 0.00 2.80 2.72 0.00 0.00 6.42 7.56 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 92 V 7.97 5.34 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 1.36 0.00 0.00 0.93 0.00 0.00 93 V 8.41 4.86 2.29 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 0.76 0.00 0.00 1.04 0.00 0.00 94 C 8.95 5.03 0.00 3.00 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 8.98 4.68 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 0.97 0.00 0.00 1.14 0.00 0.00 96 N 8.23 5.56 0.00 2.73 2.70 0.00 0.00 6.62 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 97 G 7.86 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 0.00 0.00 0.00 0.00 98 R 7.69 4.86 0.00 1.72 1.74 0.00 3.05 0.00 0.00 3.04 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.49 0.00 99 L 8.47 4.51 0.00 1.52 1.64 0.77 0.80 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 0.00 100 R 8.11 4.62 0.00 0.67 1.40 0.00 3.14 0.00 0.00 3.04 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.36 0.00 101 L 8.23 4.80 0.00 1.47 1.58 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 102 S 9.16 4.78 0.00 4.27 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 0.00 103 P 0.00 3.86 0.00 2.04 2.08 0.00 3.89 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 104 Q 8.64 2.75 0.00 2.14 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.53 0.00 0.00 0.00 0.00 0.00 2.21 1.91 0.00 105 L 6.79 3.12 0.00 1.82 1.60 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.06 4.69 0.00 1.97 1.79 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 2.15 1.88 0.00 107 P 0.00 4.56 0.00 2.18 2.01 0.00 3.67 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 2.12 2.09 0.00 108 S 9.76 4.13 0.00 3.81 3.90 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 0.00 109 C 7.44 4.71 0.00 3.01 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 0.00 110 N 8.18 4.93 0.00 2.72 2.62 0.00 0.00 6.35 7.44 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 0.00 111 K 7.69 4.47 0.00 1.70 1.53 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.17 0.89 7.81 112 H 8.83 4.95 0.00 3.19 3.30 0.00 5.43 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 F 8.28 5.05 0.00 3.15 3.05 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 *114 Y 8.50 4.96 0.00 2.09 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 0.00 0.00 0.00 115 F 9.59 5.08 0.00 3.14 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 0.00 116 P 0.00 4.83 0.00 2.00 2.02 0.00 3.42 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.12 0.00 117 Y 7.85 4.57 0.00 2.99 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 0.00 0.00 0.00 0.00 118 I 8.76 3.95 1.80 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.78 0.89 0.00 0.00 119 Q 8.45 4.78 0.00 2.18 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 120 V 9.29 4.46 2.38 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 1.21 0.00 0.00 1.07 0.00 0.00 121 Q 8.45 4.37 0.00 2.18 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.69 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 122 P 0.00 4.39 0.00 1.92 1.90 0.00 3.02 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.48 0.00 123 P 0.00 4.64 0.00 2.00 2.02 0.00 3.63 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 1.99 2.04 0.00 *124 H 8.42 4.21 0.00 2.95 2.68 0.00 7.17 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 G 8.72 4.89 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 0.00 0.00 0.00 126 Q 7.99 4.78 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 127 V 8.70 4.69 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 0.92 0.00 0.00 1.23 0.00 0.00 128 A 8.67 4.65 1.28 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 0.00 129 V 8.22 4.67 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 0.88 0.00 0.00 130 I 8.66 4.59 1.91 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 1.10 0.93 0.91 0.00 0.00 *131 H 7.94 4.23 0.00 2.86 2.74 0.00 7.23 0.00 0.00 0.00 0.00 6.91 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.