NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.1222 8.1245 118.5492 59.1702 37.4767 175.4837 17 E 4.4169 7.7601 117.6604 52.9619 30.8198 179.0180 18 P 3.9994 0.0000 0.0000 64.6880 32.0862 175.8575 19 Q 4.3749 7.5805 116.4465 53.8892 30.9221 174.4586 20 S 4.6595 8.4320 117.9161 56.5744 65.0729 173.5839 21 D 4.5071 8.4273 122.4442 53.5961 42.1649 176.7072 22 A 4.0460 8.8476 127.5816 55.9229 18.1660 179.7607 23 H 4.0898 8.4396 114.1324 58.8563 28.2195 178.1244 24 V 3.5564 7.6713 119.8473 66.0584 31.5249 177.9045 25 L 3.9606 7.8672 119.5394 57.9751 41.7650 178.5479 26 K 3.9431 7.8079 118.6777 59.6555 32.1556 178.7075 27 S 4.2565 7.7399 114.2753 61.2455 62.7894 176.3557 28 R 4.0215 7.3497 119.1854 57.4536 30.3031 177.3547 29 L 3.5000 7.1418 120.4595 55.4675 42.1453 177.2862 30 E 4.2686 7.5564 117.2563 56.4182 31.2787 176.1127 31 W 4.7846 6.9309 114.4532 55.8136 29.7546 175.2466 32 G 4.0974 8.0462 105.3810 45.8825 0.0000 172.6217 33 E 4.4973 8.7011 119.2518 54.1774 30.9195 174.4502 34 P 4.4070 0.0000 0.0000 62.5980 31.3957 176.5079 35 A 4.4888 8.4247 122.0742 52.2456 19.6367 176.3196 36 F 5.5444 7.9752 113.0871 55.6191 41.6715 174.2047 37 T 4.7540 9.2319 115.6017 62.0462 72.9148 172.8743 38 I 5.0224 8.5456 125.9170 59.7937 39.7390 174.2642 39 L 4.5693 9.3166 127.7101 52.8948 44.1340 174.9778 40 D 3.8980 8.4310 124.0844 52.5002 41.9931 175.7823 41 V 4.0256 7.9986 119.3752 61.5694 32.6790 176.7253 42 R 4.5936 7.9964 121.1426 55.0876 31.2597 176.0927 43 D 4.5113 8.4966 119.2619 53.0747 40.4253 177.3381 44 R 3.8416 8.6312 120.3389 59.8074 29.7744 178.6318 45 S 4.1797 8.0583 111.2380 61.7913 62.6353 175.8737 46 T 4.0554 7.9938 118.2203 66.7394 68.3243 175.8986 47 Y 4.1545 8.2145 121.5782 61.0495 38.5588 178.1064 48 N 4.4286 8.7138 116.4092 56.3489 38.7045 176.6947 49 D 4.6752 7.9970 118.6321 53.7186 41.1586 175.9805 50 G 4.3867 6.1121 117.1830 45.1984 0.0000 171.4656 51 H 5.1185 7.9685 119.8227 53.8569 33.3866 177.1781 52 I 3.9565 8.6596 123.9143 61.3556 35.8292 180.5142 *54 G 3.9035 8.9772 120.5833 45.9401 0.0000 173.6110 55 A 4.8794 8.1537 121.0761 51.1402 19.7723 176.6186 *57 A 3.6555 8.4276 115.1206 51.4455 20.0263 175.1853 *59 P 4.1847 0.0000 0.0000 62.1542 32.9581 177.6300 60 I 3.5148 8.2413 123.9238 64.3028 38.1322 177.2335 61 E 3.9428 8.3382 119.6237 58.8210 29.3941 177.0085 62 D 4.8781 8.0964 115.8771 52.2981 40.2604 177.0767 63 L 3.7951 7.7325 122.0229 59.1183 41.8102 178.8051 64 V 3.5985 7.7522 117.0913 66.2631 31.4493 177.5612 65 D 4.3617 8.0368 117.6603 57.6804 40.4591 178.9683 66 R 3.9273 8.3009 118.5190 59.0810 30.0087 179.1375 67 A 3.9585 8.6858 121.0078 55.3258 18.1747 179.9313 68 S 4.3850 8.4710 113.2673 61.6825 62.9571 176.6877 69 S 4.3576 8.1826 116.3621 60.2467 63.1203 175.6421 70 S 4.6581 7.7527 115.4398 57.4170 64.0544 173.4485 71 L 4.8998 7.4645 120.8176 52.6157 45.1676 175.4870 72 E 4.4592 8.3625 118.6758 55.4147 30.5865 178.2377 73 K 3.5996 8.4416 120.8331 58.3482 32.2138 178.5269 74 S 4.5674 7.7965 111.7975 57.9043 63.8992 174.4245 75 R 3.7961 7.8056 122.3379 57.0782 30.1599 175.5016 76 D 4.5280 8.3439 125.4558 54.4920 41.4619 174.2704 77 I 4.8436 8.5826 127.3513 59.7387 39.7920 174.4584 78 Y 5.1716 9.0650 123.8636 56.2308 41.0499 174.8911 79 V 5.1507 9.1118 124.2275 61.3932 35.5145 173.7556 80 Y 5.1741 8.5003 123.0244 56.0357 41.5541 174.4310 81 G 4.3271 9.2240 111.1853 44.3261 0.0000 172.6206 82 A 4.3311 8.7012 120.7783 48.7694 17.3786 177.3215 83 G 4.1970 8.3132 108.8918 44.2667 0.0000 172.5520 84 D 4.4518 8.8103 120.3222 56.9892 40.6605 179.2437 85 E 3.9480 8.0873 118.9662 59.5127 29.6246 178.9238 86 Q 3.9623 8.0339 119.0561 59.2987 29.1425 178.1993 87 T 3.8907 7.9763 117.1148 66.6306 68.4342 176.7029 88 S 4.1352 8.3466 115.2648 61.1861 62.3289 175.9341 89 Q 3.9097 8.3852 122.5914 59.1080 28.8077 178.1082 90 A 3.9593 7.9747 121.8169 55.1003 18.4072 179.7566 91 V 3.5091 7.8018 116.7233 66.1999 31.5776 178.0880 92 N 4.3521 8.3208 116.3517 56.2205 38.1800 177.2872 93 L 3.9915 8.0231 119.5312 57.9213 42.0698 179.4283 94 L 4.2563 7.8843 118.6707 58.0176 41.6897 179.8512 95 R 4.2444 8.1593 118.2550 59.1660 29.7707 178.9968 96 S 4.3199 8.2542 112.5139 60.1975 63.3206 175.2782 97 A 4.4303 7.7572 123.0148 52.0411 18.9609 177.7123 98 G 3.8404 7.7783 105.4156 44.7306 0.0000 174.1826 99 F 4.2292 7.9088 118.9829 57.3390 39.1820 175.1895 100 E 4.0732 9.1723 127.1497 58.9769 29.6347 176.9954 101 H 4.8955 7.9609 116.1696 53.2694 29.3424 171.2926 102 V 4.6667 7.9398 119.6650 60.9189 33.7181 174.5393 103 S 4.9438 9.0070 123.6063 56.6769 66.8190 173.0780 104 E 5.0329 8.8654 120.5441 55.0559 32.3876 175.7418 105 L 4.5870 8.5478 121.2529 52.7203 42.5339 176.0034 106 K 4.0852 8.5397 125.5319 57.8278 32.6677 176.9839 107 G 3.9933 8.5612 115.0355 43.9162 0.0000 174.6149 108 G 3.8572 8.1457 108.6830 46.0190 0.0000 175.0504 109 L 3.7902 8.6532 119.1194 58.2148 42.0573 179.4115 110 A 3.9756 8.0624 119.8201 55.3472 18.4005 179.3749 111 A 4.1218 7.8364 119.2564 54.8096 18.3176 179.7985 112 W 4.0037 8.1134 127.0653 60.6612 30.7689 178.5854 113 K 3.8830 8.9468 118.7305 59.1845 31.2101 179.0871 114 A 3.9858 8.3367 121.0026 54.8811 18.3441 178.7635 115 I 4.0861 7.1739 108.1143 60.3134 37.9408 175.9421 116 G 3.6581 7.9821 107.9659 46.6786 0.0000 174.7200 117 G 2.1480 7.7050 108.8027 43.4282 0.0000 172.8385 118 P 4.4874 0.0000 0.0000 62.5873 32.1139 175.6957 119 T 4.9028 8.2485 110.0758 59.9243 72.2059 172.3211 120 E 4.4911 8.7941 124.5029 55.9214 33.0135 176.3309 121 L 4.0582 8.4564 121.4720 54.5732 40.7286 175.3748 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 16 I 8.12 4.12 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 1.27 1.21 0.91 0.00 0.00 17 E 7.76 4.42 0.00 1.96 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 0.00 2.27 1.93 0.00 18 P 0.00 4.00 0.00 2.17 2.24 0.00 3.67 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 2.01 0.00 19 Q 7.58 4.37 0.00 1.88 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 20 S 8.43 4.66 0.00 3.97 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 21 D 8.43 4.51 0.00 2.78 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 22 A 8.85 4.05 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.44 4.09 0.00 3.32 3.39 0.00 5.82 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.67 3.56 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 0.99 0.00 0.00 0.99 0.00 0.00 25 L 7.87 3.96 0.00 1.80 1.65 0.91 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.81 3.94 0.00 1.93 1.99 0.00 1.85 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.50 7.81 27 S 7.74 4.26 0.00 4.02 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 R 7.35 4.02 0.00 1.88 1.87 0.00 3.14 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 29 L 7.14 3.50 0.00 1.67 1.19 1.03 0.40 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 30 E 7.56 4.27 0.00 1.97 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 0.00 2.14 1.84 0.00 31 W 6.93 4.78 0.00 3.33 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 4.10 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 0.00 33 E 8.70 4.50 0.00 2.07 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 0.00 2.33 2.40 0.00 34 P 0.00 4.41 0.00 2.09 2.03 0.00 3.74 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 2.04 2.12 0.00 35 A 8.42 4.49 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 36 F 7.98 5.54 0.00 3.41 3.33 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 37 T 9.23 4.75 4.27 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 1.21 0.00 0.00 38 I 8.55 5.02 1.98 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 1.52 1.08 1.04 0.00 0.00 39 L 9.32 4.57 0.00 1.49 1.41 0.86 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.43 3.90 0.00 2.46 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 4.03 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 0.50 0.00 0.00 0.87 0.00 0.00 42 R 8.00 4.59 0.00 1.81 1.90 0.00 3.22 0.00 0.00 3.81 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.55 0.00 43 D 8.50 4.51 0.00 2.82 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 44 R 8.63 3.84 0.00 1.87 1.96 0.00 3.07 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 45 S 8.06 4.18 0.00 3.92 4.10 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 46 T 7.99 4.06 4.53 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 0.00 0.00 0.00 1.27 0.00 0.00 47 Y 8.21 4.15 0.00 3.00 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 48 N 8.71 4.43 0.00 2.92 2.92 0.00 0.00 7.13 8.10 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 49 D 8.00 4.68 0.00 2.81 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 50 G 6.11 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 0.00 0.00 0.00 0.00 51 H 7.97 5.12 0.00 3.41 3.29 0.00 5.27 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.66 3.96 1.65 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 -0.36 0.19 0.00 0.00 *54 G 8.98 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 55 A 8.15 4.88 1.49 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 0.00 0.00 *57 A 8.43 3.66 0.14 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 0.00 0.00 *59 P 0.00 4.18 0.00 2.05 1.96 0.00 3.52 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.13 0.00 60 I 8.24 3.51 1.83 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 1.26 1.18 0.88 0.00 0.00 61 E 8.34 3.94 0.00 1.94 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 2.28 2.31 0.00 62 D 8.10 4.88 0.00 2.87 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 63 L 7.73 3.80 0.00 1.87 1.78 0.77 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 64 V 7.75 3.60 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 1.16 0.00 0.00 0.95 0.00 0.00 65 D 8.04 4.36 0.00 2.85 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 66 R 8.30 3.93 0.00 1.77 1.92 0.00 3.24 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.73 0.00 67 A 8.69 3.96 1.08 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 0.00 0.00 68 S 8.47 4.38 0.00 4.04 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 69 S 8.18 4.36 0.00 4.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.75 4.66 0.00 4.03 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 71 L 7.46 4.90 0.00 1.98 1.78 0.93 0.73 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 72 E 8.36 4.46 0.00 2.11 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 2.38 2.40 0.00 73 K 8.44 3.60 0.00 1.60 1.71 0.00 0.68 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.17 1.06 7.81 74 S 7.80 4.57 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.81 3.80 0.00 2.15 2.10 0.00 3.33 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 76 D 8.34 4.53 0.00 3.07 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.58 4.84 1.76 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.71 0.79 0.00 0.00 78 Y 9.07 5.17 0.00 2.94 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 79 V 9.11 5.15 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 0.96 0.00 0.00 0.85 0.00 0.00 80 Y 8.50 5.17 0.00 3.05 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 81 G 9.22 4.33 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 0.00 82 A 8.70 4.33 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 83 G 8.31 4.20 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 0.00 84 D 8.81 4.45 0.00 2.72 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 85 E 8.09 3.95 0.00 1.99 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 2.41 2.31 0.00 86 Q 8.03 3.96 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 87 T 7.98 3.89 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 1.31 0.00 0.00 88 S 8.35 4.14 0.00 3.98 4.02 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 89 Q 8.39 3.91 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 90 A 7.97 3.96 1.35 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 91 V 7.80 3.51 2.26 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 1.03 0.00 0.00 1.02 0.00 0.00 92 N 8.32 4.35 0.00 2.91 2.85 0.00 0.00 7.06 7.26 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 93 L 8.02 3.99 0.00 1.71 1.73 0.90 0.90 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 94 L 7.88 4.26 0.00 1.65 1.52 0.66 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.16 4.24 0.00 1.96 2.00 0.00 3.13 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 96 S 8.25 4.32 0.00 4.04 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 97 A 7.76 4.43 1.58 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 0.00 0.00 98 G 7.78 3.84 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 0.00 0.00 0.00 99 F 7.91 4.23 0.00 3.19 3.03 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 0.00 100 E 9.17 4.07 0.00 1.78 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 0.00 2.27 2.37 0.00 101 H 7.96 4.90 0.00 3.10 3.15 0.00 5.77 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 7.94 4.67 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 0.75 0.00 0.00 1.00 0.00 0.00 103 S 9.01 4.94 0.00 3.50 3.80 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 0.00 104 E 8.87 5.03 0.00 2.02 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 0.00 2.24 2.37 0.00 105 L 8.55 4.59 0.00 1.70 1.70 0.71 0.76 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 0.00 106 K 8.54 4.09 0.00 1.74 1.77 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.16 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.54 7.81 107 G 8.56 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 0.00 108 G 8.15 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 0.00 109 L 8.65 3.79 0.00 1.74 1.71 0.97 1.05 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 0.00 110 A 8.06 3.98 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 0.00 111 A 7.84 4.12 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 0.00 112 W 8.11 4.00 0.00 3.37 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 0.00 113 K 8.95 3.88 0.00 1.81 1.83 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.68 7.81 114 A 8.34 3.99 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 0.00 115 I 7.17 4.09 1.67 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.14 0.85 0.00 0.00 116 G 7.98 3.66 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 0.00 0.00 0.00 117 G 7.71 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 0.00 0.00 0.00 0.00 0.00 0.00 118 P 0.00 4.49 0.00 2.30 2.11 0.00 3.69 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.09 0.00 119 T 8.25 4.90 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 1.45 0.00 0.00 120 E 8.79 4.49 0.00 1.86 1.56 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 2.11 2.17 0.00 121 L 8.46 4.06 0.00 1.88 1.64 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.