NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 H 4.7424 8.4449 117.3645 54.3345 30.2457 173.9907 1 M 4.4663 7.8879 116.0278 53.2775 34.1431 170.2635 2 V 4.6186 7.5192 118.9369 61.0979 34.7569 174.4203 3 T 4.4730 8.0934 118.3140 60.2072 71.3445 173.3873 4 Q 4.8320 8.4163 125.0468 54.9299 29.9594 175.2994 5 F 4.5657 8.8924 126.0518 58.3548 38.9895 175.4392 6 K 4.5438 9.7269 122.1237 57.0765 34.4159 177.2331 7 T 4.7542 7.7314 107.0996 58.8089 73.1848 174.5305 8 A 3.9277 8.4931 124.2559 55.3506 18.6112 180.2455 9 S 4.0786 8.0463 112.3310 61.5052 63.0000 176.1579 10 E 3.9472 8.2528 122.9002 58.9346 29.4247 178.4695 11 F 2.7971 7.7379 120.0664 61.0901 39.1218 176.4907 12 D 4.2274 8.1380 117.3091 57.5332 41.0370 178.7096 13 S 4.3700 7.8395 113.4725 59.7687 63.2615 176.5239 14 A 4.2118 7.7545 124.4701 54.9682 18.1074 179.3449 15 I 3.6330 7.1772 110.3542 62.8645 37.5458 177.9174 16 A 4.0176 7.3397 121.5319 53.7138 18.4077 177.6259 17 Q 4.0933 7.2118 116.3153 56.2943 29.8522 176.2502 18 D 4.9043 8.5918 119.8604 52.1568 40.4973 174.6559 19 K 4.6349 7.1436 118.8789 55.5625 36.9873 176.0368 20 L 4.3484 8.4757 123.1059 54.9812 43.3970 175.3540 21 V 4.7816 9.0857 126.5718 61.1564 34.3129 173.9994 22 V 4.7975 8.8741 128.6361 61.1436 33.8245 174.3773 23 V 4.9655 9.1635 127.7992 61.3116 34.6436 173.8066 24 D 5.0986 9.3319 129.3591 53.3849 42.1647 175.0091 25 F 5.2270 9.6613 127.3119 56.8477 40.3319 174.9557 26 Y 5.2879 8.8302 121.0474 55.3505 42.3953 173.7095 27 A 4.7031 8.5965 120.0653 50.0559 22.0495 177.7737 28 T 4.0293 8.7192 111.1320 63.8369 69.1861 175.4939 29 W 4.3968 7.7886 117.4580 57.2770 29.1476 175.6046 30 C 4.2885 7.0868 120.9212 57.2936 30.8804 173.9787 31 G 3.7266 8.7263 114.3633 47.5763 0.0000 171.2905 32 P 4.2789 0.0000 0.0000 65.3735 31.0990 178.7472 33 S 4.2354 7.9798 112.3032 60.9959 61.4599 176.3886 34 K 3.9445 7.8867 121.5153 58.6754 30.2161 178.6356 35 M 4.0692 7.6986 118.7739 57.3509 31.7870 178.5705 36 I 3.8821 7.4715 120.6317 64.0473 37.2014 177.5150 37 A 3.8706 7.2473 121.1503 55.1508 18.1901 178.0511 38 P 4.2534 0.0000 0.0000 65.8128 31.3860 178.3074 39 M 3.5638 7.2800 117.3258 58.4128 32.1894 178.2646 40 I 3.7080 7.9049 113.1640 63.2577 37.6266 177.8645 41 E 3.7228 7.9797 120.6401 59.1811 29.6409 178.7916 42 K 3.9750 7.5981 119.2297 59.6498 32.3188 178.8879 43 F 4.6501 7.8838 118.2586 60.5751 38.5512 177.6474 44 S 3.0683 7.5861 113.5843 61.2008 62.4583 176.2235 45 E 4.0785 7.6995 120.6676 58.8626 29.3101 178.6029 46 Q 4.0083 7.8393 116.8551 57.0699 30.5608 175.6952 47 Y 5.1625 8.1146 116.1936 54.6875 38.0749 174.6374 48 P 4.5160 0.0000 0.0000 65.0471 32.2211 178.3665 49 Q 4.1388 8.3069 116.3796 57.4676 29.0993 175.0034 50 A 4.9214 7.9112 120.6633 50.5167 21.5829 175.7424 51 D 4.8945 8.7992 120.2378 52.9261 43.2075 175.6314 52 F 5.3139 8.7321 121.2511 56.0760 41.8953 174.2027 53 Y 5.3200 9.4041 119.9118 56.1729 42.7290 174.2041 54 K 5.2955 9.0678 119.6932 55.3122 36.7637 175.0247 55 L 4.8788 9.2126 123.3016 53.6358 45.5312 174.5602 56 D 3.9313 8.6665 126.9752 53.2567 41.1307 177.3495 57 V 3.6326 8.5152 121.3394 64.1666 31.7767 178.1841 58 D 4.5620 8.1572 118.3545 55.9009 41.1110 177.2126 59 E 4.2954 8.1715 118.5130 57.7378 30.8013 176.7988 60 L 4.9247 7.3961 116.7085 53.1372 42.5168 178.0313 61 G 3.7165 7.9602 107.3648 47.1590 0.0000 173.8505 62 D 4.3345 8.0311 121.0840 56.5234 39.3388 178.8728 63 V 3.2876 7.5872 119.0894 65.2483 31.5251 177.3664 64 A 3.9723 7.8494 120.5774 55.3391 18.2167 179.2404 65 Q 3.8264 8.3796 118.0790 59.4286 28.9680 178.4867 66 K 3.9163 8.0610 119.3064 59.1097 32.1915 177.3526 67 N 4.7256 7.8719 114.0054 51.9391 38.8470 174.5699 68 E 3.6642 7.9092 118.6870 57.2079 27.6226 174.8102 69 V 3.7531 7.7076 119.1664 62.3051 31.8913 174.1065 70 S 4.5207 8.5489 119.6562 59.7694 64.8131 174.2554 71 A 4.2610 7.7638 124.2399 51.0594 19.0200 176.2469 72 M 4.5750 8.3998 121.8463 52.9563 34.0598 174.3281 73 P 4.9375 0.0000 0.0000 62.6856 33.8776 174.8743 74 T 5.0873 8.6664 117.0391 61.8005 72.1448 172.5914 75 L 5.2183 9.2384 129.1353 53.7160 43.9232 174.8604 76 L 5.1541 9.2857 126.5437 52.9192 44.7839 175.3414 77 L 5.2043 8.3473 122.8134 52.9873 44.5709 175.6066 78 F 5.3947 9.3030 121.5560 55.8331 43.5796 174.1049 79 K 4.8778 9.0987 121.7385 56.1150 36.0288 175.7467 80 N 4.3613 9.6063 124.8452 53.3883 36.6746 176.1060 81 G 4.0127 8.5336 105.1887 45.3477 0.0000 174.1812 82 K 4.6083 7.8318 119.5603 54.2133 34.2950 175.2009 83 E 4.0277 8.7549 123.8447 56.0315 29.4402 176.4298 84 V 4.1615 8.2272 120.3076 62.5175 32.8942 176.0831 85 A 4.5797 7.2981 120.0830 50.7762 22.5696 174.9900 86 K 4.9721 8.3759 119.8522 54.7460 35.7203 175.6500 87 V 4.3740 8.9275 126.7325 61.1631 34.4750 174.0854 88 V 4.4142 8.4950 128.3854 62.9211 32.4283 176.0817 89 G 3.9534 8.8774 113.6680 45.1072 0.0000 174.0227 90 A 4.3342 8.0319 122.7861 50.8055 17.0081 175.8266 91 N 4.9593 7.9779 117.6410 49.7755 39.7368 173.5321 92 P 4.4561 0.0000 0.0000 65.8979 31.5456 178.3379 93 A 4.0029 8.0840 120.0858 54.5582 18.3866 179.1988 94 A 3.9468 8.0086 118.8272 55.3565 18.4865 179.7862 95 I 3.6894 8.0422 118.3339 64.3784 37.2033 178.4950 96 K 3.2789 8.3001 120.7783 59.6374 31.9816 178.8877 97 Q 3.9488 8.1762 117.8522 58.5426 28.1473 178.4424 98 A 3.9515 8.0602 122.1454 55.0093 18.3766 179.7838 99 I 3.3190 7.7495 118.0915 64.4219 36.9572 178.4331 100 A 3.6582 7.5994 120.2951 55.0971 18.2465 179.3342 101 A 4.0704 7.8604 117.8950 54.1672 18.5138 178.3841 102 N 4.8360 7.1612 111.5666 52.8446 40.4244 174.4494 103 A 4.1454 7.8555 128.1438 52.3599 18.4504 177.1204 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 *0 H 8.44 4.74 0.00 2.95 3.05 0.00 7.11 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 7.89 4.47 0.00 1.93 1.99 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 2.43 2.54 0.00 2 V 7.52 4.62 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 0.85 0.00 0.00 0.87 0.00 0.00 3 T 8.09 4.47 4.11 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 0.00 0.00 0.00 0.83 0.00 0.00 4 Q 8.42 4.83 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.70 0.00 5 F 8.89 4.57 0.00 3.02 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 6 K 9.73 4.54 0.00 1.95 1.89 0.00 1.80 0.00 0.00 1.81 0.00 0.00 3.18 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.43 7.81 7 T 7.73 4.75 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 1.25 0.00 0.00 8 A 8.49 3.93 1.34 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 0.00 0.00 0.00 9 S 8.05 4.08 0.00 4.06 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 0.00 10 E 8.25 3.95 0.00 2.19 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 0.00 2.72 2.51 0.00 11 F 7.74 2.80 0.00 2.11 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 12 D 8.14 4.23 0.00 2.77 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 13 S 7.84 4.37 0.00 3.97 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 14 A 7.75 4.21 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 15 I 7.18 3.63 1.05 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.14 -0.56 0.00 0.00 16 A 7.34 4.02 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 17 Q 7.21 4.09 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 7.15 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 18 D 8.59 4.90 0.00 2.69 2.62 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 19 K 7.14 4.63 0.00 1.84 1.87 0.00 1.58 0.00 0.00 1.87 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.46 7.81 20 L 8.48 4.35 0.00 1.93 1.53 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 21 V 9.09 4.78 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 1.08 0.00 0.00 1.07 0.00 0.00 22 V 8.87 4.80 1.52 0.00 0.00 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 0.00 0.00 0.44 0.00 0.00 23 V 9.16 4.97 2.61 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 0.85 0.00 0.00 1.35 0.00 0.00 24 D 9.33 5.10 0.00 2.99 2.86 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 25 F 9.66 5.23 0.00 3.19 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 26 Y 8.83 5.29 0.00 3.11 3.21 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 27 A 8.60 4.70 0.61 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 0.00 0.00 28 T 8.72 4.03 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 1.41 0.00 0.00 29 W 7.79 4.40 0.00 3.58 3.29 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 30 C 7.09 4.29 0.00 1.23 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 31 G 8.73 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 0.00 0.00 0.00 32 P 0.00 4.28 0.00 2.14 2.13 0.00 3.50 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 2.17 0.00 33 S 7.98 4.24 0.00 4.13 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 34 K 7.89 3.94 0.00 1.93 1.82 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.66 7.81 35 M 7.70 4.07 0.00 1.95 2.22 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.92 0.00 36 I 7.47 3.88 2.11 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.00 0.97 0.00 0.00 37 A 7.25 3.87 1.14 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 38 P 0.00 4.25 0.00 2.16 2.23 0.00 3.55 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.93 0.00 39 M 7.28 3.56 0.00 2.08 1.89 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.45 0.00 40 I 7.90 3.71 2.13 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.06 1.10 0.00 0.00 41 E 7.98 3.72 0.00 1.93 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 2.23 2.30 0.00 42 K 7.60 3.98 0.00 1.68 1.66 0.00 1.67 0.00 0.00 1.87 0.00 0.00 3.21 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.44 7.81 43 F 7.88 4.65 0.00 2.98 3.16 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 44 S 7.59 3.07 0.00 3.50 3.27 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 45 E 7.70 4.08 0.00 2.03 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 2.27 2.38 0.00 46 Q 7.84 4.01 0.00 1.88 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.37 0.00 0.00 0.00 0.00 0.00 2.25 2.56 0.00 47 Y 8.11 5.16 0.00 3.35 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 48 P 0.00 4.52 0.00 2.21 2.21 0.00 3.85 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.95 0.00 49 Q 8.31 4.14 0.00 2.28 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.88 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 50 A 7.91 4.92 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 51 D 8.80 4.89 0.00 2.69 2.54 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 0.00 0.00 0.00 0.00 52 F 8.73 5.31 0.00 3.11 2.97 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 53 Y 9.40 5.32 0.00 2.98 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.07 5.30 0.00 1.98 1.91 0.00 0.94 0.00 0.00 1.46 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.51 7.81 55 L 9.21 4.88 0.00 1.60 0.96 0.45 0.97 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 56 D 8.67 3.93 0.00 2.50 2.41 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 57 V 8.52 3.63 2.13 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 0.93 0.00 0.00 0.95 0.00 0.00 58 D 8.16 4.56 0.00 2.86 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 59 E 8.17 4.30 0.00 2.07 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 2.31 2.41 0.00 60 L 7.40 4.92 0.00 1.56 1.45 0.96 0.94 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 61 G 7.96 3.72 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 0.00 0.00 0.00 62 D 8.03 4.33 0.00 2.84 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 63 V 7.59 3.29 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 -0.23 0.00 0.00 0.62 0.00 0.00 64 A 7.85 3.97 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 65 Q 8.38 3.83 0.00 2.08 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 66 K 8.06 3.92 0.00 1.78 1.98 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.49 7.81 67 N 7.87 4.73 0.00 2.66 2.78 0.00 0.00 7.05 6.96 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 68 E 7.91 3.66 0.00 2.07 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 2.22 2.20 0.00 69 V 7.71 3.75 1.88 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 0.61 0.00 0.00 0.00 0.00 0.00 70 S 8.55 4.52 0.00 3.99 3.91 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 71 A 7.76 4.26 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 72 M 8.40 4.58 0.00 1.79 1.76 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.41 0.00 73 P 0.00 4.94 0.00 2.19 2.23 0.00 3.64 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.15 0.00 74 T 8.67 5.09 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 1.15 0.00 0.00 75 L 9.24 5.22 0.00 1.87 1.62 1.03 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 76 L 9.29 5.15 0.00 2.13 1.30 0.97 0.35 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 77 L 8.35 5.20 0.00 1.48 1.43 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 78 F 9.30 5.39 0.00 2.92 2.86 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 79 K 9.10 4.88 0.00 1.80 1.61 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.34 7.81 80 N 9.61 4.36 0.00 2.93 2.86 0.00 0.00 6.87 7.86 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 81 G 8.53 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 82 K 7.83 4.61 0.00 1.93 1.72 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.50 7.81 83 E 8.75 4.03 0.00 1.85 1.81 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 2.04 1.71 0.00 84 V 8.23 4.16 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 0.67 0.00 0.00 0.94 0.00 0.00 85 A 7.30 4.58 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 86 K 8.38 4.97 0.00 1.63 1.57 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.63 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.37 7.81 87 V 8.93 4.37 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 0.86 0.00 0.00 0.94 0.00 0.00 88 V 8.49 4.41 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 0.89 0.00 0.00 0.92 0.00 0.00 89 G 8.88 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 0.00 0.00 0.00 90 A 8.03 4.33 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 91 N 7.98 4.96 0.00 2.76 2.76 0.00 0.00 6.75 8.03 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 92 P 0.00 4.46 0.00 2.45 2.44 0.00 3.75 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.09 0.00 93 A 8.08 4.00 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 94 A 8.01 3.95 1.34 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 0.00 0.00 0.00 95 I 8.04 3.69 2.27 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.75 1.17 0.00 0.00 96 K 8.30 3.28 0.00 1.16 1.58 0.00 1.31 0.00 0.00 1.54 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.25 0.95 7.81 97 Q 8.18 3.95 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 98 A 8.06 3.95 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 I 7.75 3.32 1.58 0.00 0.00 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 1.39 0.83 0.37 0.00 0.00 100 A 7.60 3.66 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 0.00 101 A 7.86 4.07 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 0.00 102 N 7.16 4.84 0.00 2.38 2.77 0.00 0.00 6.95 7.23 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 0.00 103 A 7.86 4.15 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 * Residues marked with a * may have inaccurate shift predictions.