NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.3398 8.1693 120.6303 54.8560 43.0356 175.6530 8 H 4.8507 8.3046 118.6121 53.1676 31.3494 171.5001 9 K 4.6799 9.3741 121.0800 55.5825 33.9943 176.9419 10 E 5.0127 9.3467 123.3063 53.6671 33.2909 173.6988 11 P 4.9040 0.0000 0.0000 63.1792 32.3860 175.3037 12 A 4.9462 8.4615 121.5433 51.3242 22.8534 175.5702 13 T 4.5785 8.5028 116.6345 61.0882 71.5336 173.6541 14 L 4.0505 8.7306 127.7987 56.6920 41.9748 176.1947 15 I 4.2188 8.6805 127.6313 62.7863 37.8433 176.0203 16 K 4.6411 7.6110 121.1766 54.8863 35.5845 174.6253 17 A 4.4053 8.7360 130.0726 52.4239 18.5646 175.3619 18 I 4.4664 7.8186 118.4716 61.8041 40.4362 177.4861 19 D 4.6959 7.7801 119.8675 51.8267 41.6541 175.9181 20 G 3.8676 9.3974 105.7660 48.2010 0.0000 173.6903 21 D 5.1392 8.0686 113.6917 52.6126 41.3142 175.5629 22 T 5.8225 8.5327 108.9843 59.4392 72.3686 173.1684 23 V 4.7588 8.2225 120.8663 60.5493 35.3050 172.4531 24 K 5.0541 9.3986 124.3926 55.1622 33.8980 175.1534 25 L 5.3674 9.5881 126.6092 53.1721 46.6335 175.2670 26 M 4.8494 9.2489 122.8513 55.0455 33.5597 174.4085 27 Y 4.9708 9.1461 128.0761 56.0640 42.2114 175.3984 28 K 3.4160 9.7258 127.4571 57.4308 29.8001 176.2522 29 G 4.0054 8.5150 105.5917 45.2230 0.0000 173.6321 30 Q 4.8861 7.6714 119.3537 52.8922 31.7178 173.4701 31 P 4.9106 0.0000 0.0000 63.6066 32.1214 175.2654 32 M 4.7831 9.2954 122.0711 54.4239 36.4929 173.4523 33 T 4.7293 8.3725 121.7321 63.1090 70.3064 173.4110 34 F 5.1028 9.7420 125.7983 55.6224 42.1180 174.4750 35 R 5.0483 8.6229 123.4725 54.3125 32.3004 175.0505 36 L 4.6579 8.5860 127.1077 54.5548 42.4287 177.1654 37 L 4.0485 8.5316 124.0748 55.7865 42.6980 178.3403 38 L 4.3557 8.9716 119.8212 55.3582 39.6456 174.1629 39 V 5.0605 7.3732 109.5089 59.6143 35.7825 175.1547 40 D 4.9300 9.1778 122.5289 53.0158 44.0899 174.9695 41 T 4.6595 8.6403 117.1972 60.4627 70.6143 172.5184 42 P 4.6888 0.0000 0.0000 62.5486 32.1534 176.4234 43 E 4.0158 9.6172 122.7162 56.7980 30.2171 177.7413 *50 F 4.5777 8.5822 123.0200 58.2890 41.0150 175.5629 51 N 4.4935 8.2339 114.8270 53.4503 37.9693 174.3776 52 E 4.4240 7.9821 120.1104 54.2149 31.5859 174.9594 53 K 3.9373 8.1261 121.5376 57.9255 32.5741 176.4040 54 Y 4.2002 7.7863 121.6295 59.3068 35.5875 171.2439 55 G 3.5234 7.8095 107.7599 47.4946 0.0000 174.2091 56 P 4.3261 0.0000 0.0000 65.0513 31.4198 178.6312 57 E 4.0368 8.1349 116.5330 59.2212 29.4743 178.8851 58 A 4.0227 8.4216 121.1793 55.4057 18.0193 179.5736 59 S 4.1125 8.4700 113.4699 61.8685 63.0038 176.7150 60 A 4.0962 8.5013 123.5410 55.4045 18.2465 179.2970 61 F 3.9600 8.6004 119.1460 61.9980 39.3758 177.5427 62 T 4.0655 8.3817 115.2932 66.1999 68.1621 176.7247 63 K 3.8719 8.4787 122.1024 59.5008 32.2612 178.6252 64 K 3.8196 8.0929 119.7862 59.6563 31.8295 178.3602 65 M 3.8518 7.4613 116.8608 58.8347 32.3243 178.3611 66 V 3.8055 7.9706 112.6698 64.1459 31.5201 178.6088 67 E 4.0355 8.2030 117.7648 59.5848 29.3585 178.1521 68 N 4.4345 8.4165 113.8636 54.6069 38.7646 175.1123 69 A 4.9072 7.1816 120.0752 50.4895 19.7780 177.4376 70 K 4.0897 8.9863 122.9574 57.9595 33.0080 176.8302 71 K 4.5754 8.5108 120.5576 54.6081 35.0904 174.9651 72 I 5.0414 8.3836 127.9935 59.8755 39.6704 174.5823 73 E 5.2256 9.1725 124.5271 54.7132 33.9546 175.0627 74 V 4.8688 9.0721 115.0382 59.7222 35.7375 174.8845 75 E 4.7912 8.8686 124.0993 54.6962 32.4348 174.8777 76 F 4.9402 8.2102 122.4596 56.8256 39.6190 174.2931 77 D 5.2836 8.4278 118.6197 53.0255 43.1981 175.4077 78 K 4.3906 9.4615 117.5252 58.0977 33.2285 178.3390 79 G 4.1708 7.5155 109.4702 44.3370 0.0000 173.5130 80 Q 3.8653 8.6750 123.2016 57.0919 29.5502 177.9523 81 R 4.2839 8.5193 122.6996 57.0654 31.4379 176.2536 82 T 4.8665 7.4901 113.6308 61.5624 71.7051 173.4971 83 D 5.0523 8.9469 126.4635 51.0046 40.8967 177.3559 84 K 4.0298 8.1308 117.5945 59.0536 32.5566 177.1182 85 Y 4.5128 8.0059 117.0203 57.7795 37.7625 176.2214 86 G 3.8465 8.5787 107.2919 45.9197 0.0000 173.7256 87 R 4.4622 7.8614 118.6838 54.0567 32.3956 175.9496 88 G 3.4929 8.0000 111.5776 46.1910 0.0000 172.4992 89 L 5.0110 8.7785 127.6408 54.1696 42.2919 176.7421 90 R 4.8616 8.5741 121.8787 54.6921 35.5181 174.0616 91 Y 4.7292 8.5756 119.8211 57.7947 39.3974 174.6905 92 I 4.9179 8.7754 124.1089 59.6255 40.9656 174.0448 93 Y 5.0884 9.0277 123.0872 56.1216 41.2839 174.5723 94 A 4.9176 9.3211 126.1383 49.9136 21.3057 176.0474 95 D 4.2220 10.3504 125.3818 56.2859 39.1269 176.3867 96 G 3.9956 8.4761 106.0739 45.2077 0.0000 173.7195 97 K 4.3494 7.6330 120.6650 55.2215 32.9592 175.7252 98 M 4.2054 8.6699 124.0640 55.0938 32.9138 176.5473 99 V 3.6510 8.4646 127.2609 66.2542 31.6647 177.3172 100 N 4.2833 8.1541 115.5871 56.6989 38.4024 176.6308 101 E 3.9303 8.1797 119.4760 59.2245 29.7371 178.6661 102 A 4.0400 7.9872 120.7123 55.1578 18.4690 179.4120 103 L 3.3375 8.1129 117.7501 57.8838 41.7168 180.0333 104 V 3.8436 7.4622 119.0047 65.5478 31.2653 177.9380 105 R 4.0809 8.1361 117.6064 59.3998 29.9934 177.6028 106 Q 4.3126 7.8906 114.7938 55.2822 29.0543 176.2970 107 G 3.9142 7.9919 108.6591 46.5628 0.0000 174.9052 108 L 4.4598 7.8724 117.6664 54.2671 42.0389 176.3855 109 A 4.8238 7.4608 120.1131 50.2264 23.0664 175.1438 110 K 4.6146 8.5108 119.2598 54.6740 34.5789 176.5244 111 V 4.2469 9.4086 124.4727 63.4296 31.9435 175.0007 112 A 4.2279 9.4482 127.8185 50.9515 23.2046 174.9697 113 Y 3.2301 7.3803 114.3541 58.9538 35.3675 173.9064 114 V 4.0603 7.1677 111.7999 60.4959 31.8428 175.6068 115 Y 4.7840 8.2312 122.7339 55.8756 39.9957 175.5818 116 K 4.6026 8.7085 123.2320 55.9580 33.6228 177.8841 117 G 4.2684 8.5380 112.0939 45.1946 0.0000 172.4941 118 N 5.1292 8.7779 110.8791 53.3985 39.9542 173.8239 119 N 5.2860 7.9319 111.5712 52.8393 38.1582 176.4626 120 T 3.8095 8.1504 118.5209 67.6152 68.8838 174.5113 121 H 4.8146 8.1632 115.4128 55.4005 29.7072 175.4921 122 E 3.9963 8.7357 123.1705 59.6187 29.3404 178.7493 123 Q 3.9519 8.0543 118.9983 59.0651 29.0501 177.7501 124 L 3.9873 7.8500 121.0296 57.9060 42.2361 178.6933 125 L 4.1007 7.8996 118.6465 57.6157 41.5898 179.5416 126 R 3.9776 8.4198 118.5483 58.8099 29.5914 178.7299 127 K 3.8029 8.2806 119.5370 59.6604 32.1176 178.6777 128 A 4.0183 7.7584 120.6895 54.7795 18.2901 179.3015 129 E 3.8679 8.2503 117.8660 59.1402 29.7235 178.2770 130 A 3.7182 7.9371 120.9948 55.5846 18.4333 179.3187 131 Q 3.8205 7.7620 116.5329 59.3035 29.1573 178.5276 132 A 4.0115 7.9370 121.7342 54.8732 18.3417 179.5944 133 K 3.2110 8.1524 118.3765 59.3365 31.9874 178.6505 134 K 3.7197 7.7896 118.8764 59.8060 32.0961 177.5444 135 E 4.2086 7.8301 115.0676 55.7002 29.8764 176.4534 136 K 4.1921 8.0576 117.2949 56.0273 30.6523 175.4111 137 L 4.1994 8.1591 118.0977 55.7460 43.8485 178.3044 138 N 3.6676 9.3182 119.0989 54.4460 38.0176 175.8377 139 I 3.1970 5.4200 121.0292 63.1144 38.3707 177.2900 140 W 4.7133 8.0043 121.9296 56.9651 29.1939 176.6352 141 S 4.4027 7.7209 120.6143 59.0542 62.6399 169.4774 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 7 L 8.17 4.34 0.00 1.63 1.89 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.30 4.85 0.00 3.12 3.18 0.00 5.51 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 9 K 9.37 4.68 0.00 1.58 1.71 0.00 1.41 0.00 0.00 1.36 0.00 0.00 2.13 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.18 1.27 7.81 10 E 9.35 5.01 0.00 2.11 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 2.38 2.24 0.00 11 P 0.00 4.90 0.00 2.11 2.07 0.00 3.86 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 12 A 8.46 4.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.50 4.58 4.28 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 1.23 0.00 0.00 14 L 8.73 4.05 0.00 1.64 1.62 0.92 1.06 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 15 I 8.68 4.22 2.05 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.82 0.94 0.00 0.00 16 K 7.61 4.64 0.00 1.80 1.60 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.45 7.81 17 A 8.74 4.41 1.26 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 0.00 0.00 0.00 18 I 7.82 4.47 2.04 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 1.47 0.88 0.90 0.00 0.00 19 D 7.78 4.70 0.00 2.89 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 20 G 9.40 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 21 D 8.07 5.14 0.00 2.83 2.87 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 22 T 8.53 5.82 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 1.20 0.00 0.00 23 V 8.22 4.76 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 0.75 0.00 0.00 1.04 0.00 0.00 24 K 9.40 5.05 0.00 1.89 1.91 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.52 7.81 25 L 9.59 5.37 0.00 1.64 1.48 0.40 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.25 4.85 0.00 2.16 2.01 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 2.63 2.57 0.00 27 Y 9.15 4.97 0.00 3.19 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 28 K 9.73 3.42 0.00 1.57 1.64 0.00 1.67 0.00 0.00 1.53 0.00 0.00 2.59 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.88 0.21 7.81 29 G 8.51 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 30 Q 7.67 4.89 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 31 P 0.00 4.91 0.00 2.11 2.11 0.00 3.79 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 32 M 9.30 4.78 0.00 1.94 1.87 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.65 0.00 33 T 8.37 4.73 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 1.19 0.00 0.00 34 F 9.74 5.10 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 35 R 8.62 5.05 0.00 1.89 1.73 0.00 3.30 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 1.46 1.58 0.00 36 L 8.59 4.66 0.00 1.59 1.61 0.95 0.89 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 37 L 8.53 4.05 0.00 0.96 1.31 0.18 0.35 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 38 L 8.97 4.36 0.00 2.05 1.94 1.15 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.37 5.06 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 0.78 0.00 0.00 1.06 0.00 0.00 40 D 9.18 4.93 0.00 2.99 2.55 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 0.00 0.00 0.00 0.00 41 T 8.64 4.66 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 1.28 0.00 0.00 42 P 0.00 4.69 0.00 2.05 2.07 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 43 E 9.62 4.02 0.00 1.86 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 2.49 2.42 0.00 *50 F 8.58 4.58 0.00 3.03 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 51 N 8.23 4.49 0.00 2.88 3.00 0.00 0.00 5.96 7.66 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 52 E 7.98 4.42 0.00 2.13 1.87 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 2.23 2.21 0.00 53 K 8.13 3.94 0.00 1.54 1.64 0.00 1.03 0.00 0.00 1.37 0.00 0.00 2.83 0.00 0.00 2.23 0.00 0.00 0.00 0.00 1.20 0.91 7.81 54 Y 7.79 4.20 0.00 3.15 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 55 G 7.81 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.33 0.00 2.01 1.97 0.00 3.33 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.94 0.00 57 E 8.13 4.04 0.00 2.31 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 0.00 2.50 2.50 0.00 58 A 8.42 4.02 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 59 S 8.47 4.11 0.00 4.25 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 60 A 8.50 4.10 1.47 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 0.00 0.00 61 F 8.60 3.96 0.00 3.30 3.23 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 62 T 8.38 4.07 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 1.27 0.00 0.00 63 K 8.48 3.87 0.00 1.91 2.02 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.54 7.81 64 K 8.09 3.82 0.00 1.80 1.63 0.00 1.65 0.00 0.00 1.49 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.51 7.81 65 M 7.46 3.85 0.00 2.12 1.87 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 66 V 7.97 3.81 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 0.91 0.00 0.00 1.02 0.00 0.00 67 E 8.20 4.04 0.00 2.10 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 2.34 2.34 0.00 68 N 8.42 4.43 0.00 2.75 2.84 0.00 0.00 7.04 7.15 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 69 A 7.18 4.91 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 70 K 8.99 4.09 0.00 1.73 2.01 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.42 7.81 71 K 8.51 4.58 0.00 1.85 1.61 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.38 7.81 72 I 8.38 5.04 2.03 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 1.34 1.04 0.90 0.00 0.00 73 E 9.17 5.23 0.00 1.94 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 0.00 2.22 2.27 0.00 74 V 9.07 4.87 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 0.25 0.00 0.00 1.00 0.00 0.00 75 E 8.87 4.79 0.00 2.28 2.32 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 2.52 2.27 0.00 76 F 8.21 4.94 0.00 3.03 3.09 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 77 D 8.43 5.28 0.00 2.71 3.18 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 78 K 9.46 4.39 0.00 1.95 1.92 0.00 1.82 0.00 0.00 1.83 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.59 7.81 79 G 7.52 4.17 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 0.00 80 Q 8.67 3.87 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.66 0.00 0.00 0.00 0.00 0.00 2.44 2.32 0.00 81 R 8.52 4.28 0.00 1.76 1.82 0.00 2.72 0.00 0.00 2.39 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.55 0.00 82 T 7.49 4.87 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 1.12 0.00 0.00 83 D 8.95 5.05 0.00 2.79 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 84 K 8.13 4.03 0.00 1.52 1.70 0.00 1.18 0.00 0.00 1.44 0.00 0.00 2.82 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.87 0.21 7.81 85 Y 8.01 4.51 0.00 2.96 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 86 G 8.58 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 0.00 0.00 0.00 87 R 7.86 4.46 0.00 1.85 1.84 0.00 3.30 0.00 0.00 3.60 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 88 G 8.00 3.49 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 0.00 89 L 8.78 5.01 0.00 1.46 1.59 0.89 0.85 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 90 R 8.57 4.86 0.00 1.72 1.74 0.00 3.51 0.00 0.00 3.33 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.73 0.00 91 Y 8.58 4.73 0.00 2.94 2.56 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 0.00 0.00 0.00 92 I 8.78 4.92 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.68 0.89 0.00 0.00 93 Y 9.03 5.09 0.00 2.83 2.81 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 94 A 9.32 4.92 1.25 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 95 D 10.35 4.22 0.00 2.79 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 96 G 8.48 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 0.00 0.00 0.00 97 K 7.63 4.35 0.00 1.80 1.80 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.54 7.81 98 M 8.67 4.21 0.00 1.97 1.83 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 2.44 0.00 99 V 8.46 3.65 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 1.14 0.00 0.00 0.98 0.00 0.00 100 N 8.15 4.28 0.00 2.89 2.94 0.00 0.00 6.72 7.66 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 0.00 101 E 8.18 3.93 0.00 2.00 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 0.00 2.39 2.39 0.00 102 A 7.99 4.04 1.68 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 0.00 0.00 103 L 8.11 3.34 0.00 1.64 1.61 1.03 1.07 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 0.00 104 V 7.46 3.84 2.22 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 1.32 0.00 0.00 1.00 0.00 0.00 105 R 8.14 4.08 0.00 1.90 2.13 0.00 3.36 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 106 Q 7.89 4.31 0.00 1.59 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.29 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 107 G 7.99 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 0.00 0.00 0.00 108 L 7.87 4.46 0.00 1.18 1.54 0.68 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.46 4.82 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 0.00 110 K 8.51 4.61 0.00 1.72 1.76 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.24 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.42 1.09 7.81 111 V 9.41 4.25 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 0.74 0.00 0.00 1.02 0.00 0.00 112 A 9.45 4.23 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 0.00 113 Y 7.38 3.23 0.00 3.13 3.12 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 0.00 0.00 0.00 114 V 7.17 4.06 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 0.74 0.00 0.00 0.94 0.00 0.00 115 Y 8.23 4.78 0.00 2.99 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 8.71 4.60 0.00 1.78 1.79 0.00 1.64 0.00 0.00 1.77 0.00 0.00 3.15 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.46 1.54 7.81 117 G 8.54 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 0.00 0.00 0.00 0.00 118 N 8.78 5.13 0.00 2.69 2.90 0.00 0.00 6.79 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 N 7.93 5.29 0.00 2.94 3.17 0.00 0.00 6.10 7.22 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 0.00 120 T 8.15 3.81 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 1.05 0.00 0.00 121 H 8.16 4.81 0.00 3.04 3.10 0.00 5.63 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.74 4.00 0.00 2.08 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 2.33 2.35 0.00 123 Q 8.05 3.95 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 124 L 7.85 3.99 0.00 1.80 1.80 0.99 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 125 L 7.90 4.10 0.00 1.93 1.74 1.06 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.42 3.98 0.00 1.83 1.95 0.00 3.13 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 127 K 8.28 3.80 0.00 2.03 1.99 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.45 7.81 128 A 7.76 4.02 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 0.00 129 E 8.25 3.87 0.00 2.11 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 2.04 2.50 0.00 130 A 7.94 3.72 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 0.00 131 Q 7.76 3.82 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.59 0.00 132 A 7.94 4.01 1.54 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 0.00 0.00 133 K 8.15 3.21 0.00 0.79 1.40 0.00 1.17 0.00 0.00 0.94 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.97 0.24 7.81 134 K 7.79 3.72 0.00 1.89 1.95 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.46 7.81 135 E 7.83 4.21 0.00 2.22 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 2.32 2.56 0.00 136 K 8.06 4.19 0.00 1.88 2.02 0.00 1.91 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.52 7.81 137 L 8.16 4.20 0.00 1.81 1.72 1.05 0.65 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 0.00 138 N 9.32 3.67 0.00 2.60 1.79 0.00 0.00 6.90 7.22 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 0.00 139 I 5.42 3.20 1.28 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 -0.36 0.45 0.00 0.00 140 W 8.00 4.71 0.00 3.33 3.12 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 0.00 0.00 0.00 141 S 7.72 4.40 0.00 4.16 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 * Residues marked with a * may have inaccurate shift predictions.