NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 R 4.1352 8.0976 119.6809 55.7474 31.1223 175.6555 10 P 3.7490 0.0000 0.0000 63.8392 31.8066 176.9395 11 H 4.1180 8.6033 115.9414 58.5585 28.4844 178.2295 12 E 3.1658 6.6687 119.3650 57.9989 29.2067 178.5106 13 R 4.2197 7.4618 116.6001 56.1985 30.9463 176.4108 14 L 4.4032 7.7484 120.9879 53.9107 42.7333 177.3535 15 D 4.4660 9.0975 123.2970 57.7444 40.6576 179.0876 16 A 4.0559 8.0471 120.5387 54.7671 18.3624 179.4046 17 W 3.9956 8.2565 126.3242 60.6993 31.0263 177.9189 18 R 3.9555 8.3517 118.1623 59.9324 29.6397 178.8142 19 D 4.3909 8.5688 118.4365 56.9954 40.7333 178.7909 20 S 4.0705 8.1963 116.3247 62.1856 62.9064 176.8253 21 M 3.7547 7.8143 121.2609 58.0655 31.5473 178.3388 22 E 3.8255 7.9899 119.5603 59.2301 29.6751 178.6876 23 L 3.9064 7.9863 120.2368 58.0447 42.1638 178.8251 24 V 3.6299 7.8154 118.2463 66.3933 31.3934 177.8984 25 E 3.9521 8.0659 117.9656 59.5782 29.1787 178.9992 26 M 4.0595 8.0116 118.2975 58.7658 32.1330 178.4164 27 I 3.6980 8.2457 120.4214 64.2724 37.0002 178.0535 28 Y 3.6956 8.0151 116.9954 60.8599 37.8441 178.1480 29 R 4.1679 8.0541 119.5605 59.5412 30.0171 178.0883 30 L 3.9313 7.9203 119.1673 57.8310 42.3575 178.0925 31 T 2.8975 7.1729 107.4762 61.0719 69.0538 176.2207 32 E 3.9416 7.7086 119.9581 58.7019 29.8209 178.0613 33 V 4.2922 7.5490 110.6495 60.8890 32.0926 175.8400 34 F 4.3692 7.7921 119.1043 56.3989 39.5158 173.5966 35 P 4.2034 0.0000 0.0000 62.8010 31.9703 177.2948 36 D 4.3108 8.8125 121.9559 57.5574 40.8666 179.0300 37 Q 4.0254 7.9603 115.1257 58.4376 28.7356 176.6264 38 E 4.4803 7.8998 117.8843 56.0576 29.5538 177.7974 39 R 3.6556 7.9513 122.1924 58.7092 30.0623 177.2032 40 Y 4.8612 7.9033 111.5689 56.9829 39.9174 175.4684 41 G 4.6373 8.1487 106.4246 45.7652 0.0000 174.7496 42 L 4.1038 9.3133 121.6702 58.0218 41.9407 179.5801 43 T 3.7373 7.9495 109.3661 64.5802 68.7454 176.2527 44 A 3.9288 7.4647 123.7287 55.0031 18.4977 179.6617 45 Q 3.9659 7.9635 116.0390 59.1043 28.8438 179.0659 46 L 4.0325 8.1021 120.0564 57.8415 41.6193 179.8104 47 R 3.8721 8.0786 118.1565 59.1808 29.9373 179.3788 48 R 3.9575 8.2953 117.8865 59.0288 29.8441 178.8609 49 A 4.0014 7.9187 119.3914 55.0864 18.6121 179.1681 50 A 4.0634 7.8956 118.9849 55.5306 18.6404 179.7752 51 V 3.5165 7.8147 116.4045 66.4242 31.5006 178.0354 52 S 4.1570 8.2238 112.6059 61.7055 62.1271 175.8815 53 I 3.7482 8.0848 122.9660 64.0415 36.8689 176.4804 54 P 4.3546 0.0000 0.0000 66.0815 31.0440 178.4371 55 S 4.1712 8.0627 114.5934 61.7432 62.7372 176.5468 56 N 4.4859 8.3957 118.9668 56.1694 38.3064 177.6665 57 I 3.8041 8.0007 121.1604 64.2319 36.7988 178.0826 58 A 3.6325 8.4648 121.9908 55.3163 18.0009 179.3473 59 E 3.7105 7.9555 116.1548 59.0330 29.7616 179.1037 60 G 3.4970 7.9391 105.8526 47.6387 0.0000 175.6094 61 A 3.0816 7.4545 122.8474 53.5402 18.3353 177.9990 62 A 4.3479 6.8148 117.1339 52.6149 19.4336 176.8165 63 R 4.3877 6.9016 120.6596 56.4285 32.8819 176.1229 *68 D 4.7266 8.9797 124.9919 55.7217 42.5335 176.2405 69 Y 4.3280 8.2255 118.7571 61.5158 38.6657 178.1928 70 S 4.1462 8.4009 115.1191 61.9777 62.9483 176.8378 71 R 3.9787 7.9074 120.6021 59.1841 29.9430 178.3395 72 F 4.1894 8.4197 117.7917 60.1844 38.8138 177.7029 73 L 4.1189 8.2612 118.9662 57.9668 41.4669 179.3754 74 S 4.1574 8.0231 112.5402 61.5287 62.2294 176.3649 75 I 3.7660 7.7896 122.2684 64.0476 36.8036 178.2321 76 A 4.0197 8.2012 121.7617 55.3081 18.2544 179.5923 77 R 4.0466 8.5490 117.8004 59.3936 30.1133 178.7477 78 G 3.7364 8.0783 105.5916 48.2644 0.0000 175.9100 79 S 4.2313 8.1242 118.1586 60.7997 62.7864 176.6171 80 L 4.0352 8.0791 123.6341 58.0791 41.8398 179.1166 81 S 4.2171 8.3702 114.4109 61.5253 62.9588 176.4681 82 E 3.9467 8.1256 122.0332 58.9053 29.2121 178.7323 83 L 3.9238 8.4796 120.6966 58.3529 42.2589 178.2973 84 D 4.3391 8.5907 118.0406 57.9466 41.0447 178.4585 85 T 3.8874 7.9534 113.2539 65.1370 67.2243 176.2466 86 Q 3.9925 7.9605 119.8382 58.7609 28.8528 178.4286 87 V 3.6826 8.2766 119.7677 66.3665 31.4808 178.1949 88 Q 4.0230 7.9935 117.3783 58.8689 28.4882 178.5258 89 I 3.6140 8.0862 120.9785 64.3187 37.1257 178.2515 90 A 3.6329 8.2333 121.4361 55.0221 18.3013 179.5988 91 A 4.0173 7.7410 120.0968 54.8446 18.2393 180.1579 92 R 3.8607 7.6078 115.6383 58.9577 30.2011 178.6153 93 L 4.0066 7.6312 117.2426 54.9566 41.6928 177.4863 94 G 3.8010 7.4500 106.5605 46.3671 0.0000 174.2486 95 Y 4.4329 7.9106 119.5129 58.3185 38.6940 176.1282 96 S 5.0142 7.6439 114.2147 55.8717 65.5959 173.6830 97 R 4.0963 8.5765 121.6097 56.9881 31.4699 178.1214 98 S 4.1870 8.6887 116.4589 60.9161 62.8582 175.6714 99 E 4.2925 8.0741 119.6339 58.5728 29.9764 178.1562 100 D 4.3741 8.0217 119.5586 56.9925 40.8398 177.6658 101 D 4.3696 7.9682 118.2228 57.8576 41.2089 178.7362 102 Q 4.0055 8.0521 117.6008 58.8085 28.7978 178.6708 103 S 4.1384 7.9807 116.0955 61.4527 62.7828 176.8867 104 V 3.5563 7.8611 121.0012 65.8205 31.2347 177.6606 105 R 3.9058 8.1770 118.8620 59.9512 29.8232 178.5139 106 R 3.9272 7.9726 117.3970 59.2594 29.9709 178.9803 107 Q 3.9303 8.0152 119.2610 58.9850 29.0594 177.9730 108 V 3.6126 8.4245 119.7892 66.4992 31.5140 177.5942 109 D 4.4797 8.4194 118.5968 57.3312 40.5737 178.8623 110 L 3.9437 7.9083 120.6512 58.1810 42.2121 178.8790 111 V 3.5900 8.1205 118.6548 66.0945 31.3089 177.4786 112 F 4.0978 8.7172 120.3286 61.3814 39.1838 176.8270 113 A 3.8685 8.1489 120.0878 55.2835 18.2055 179.8170 114 K 3.9733 8.2323 116.9881 59.4474 32.0755 179.6880 115 L 3.9594 8.3007 119.7081 58.2144 41.3519 179.7757 116 T 3.6788 7.5749 114.3444 66.1571 68.3800 176.4558 117 A 4.0474 8.2738 123.2372 55.2627 18.2447 179.5369 118 L 3.8580 7.8816 118.6309 58.3519 41.9316 178.8492 119 M 3.9814 7.9337 117.4743 58.4166 32.1625 177.5768 120 N 4.4892 7.7158 115.8500 55.0634 40.1845 176.1795 121 A 4.3135 7.1714 124.3407 51.2545 16.5503 177.2354 122 L 4.1948 7.4766 124.2931 55.0542 40.8121 177.5203 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 9 R 8.10 4.14 0.00 1.70 1.58 0.00 3.00 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 1.47 1.51 0.00 10 P 0.00 3.75 0.00 2.28 2.23 0.00 3.56 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 11 H 8.60 4.12 0.00 3.14 3.44 0.00 5.46 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 6.67 3.17 0.00 1.42 1.65 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 0.00 1.47 1.47 0.00 13 R 7.46 4.22 0.00 1.91 1.96 0.00 3.13 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 14 L 7.75 4.40 0.00 1.96 1.70 1.09 0.93 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 15 D 9.10 4.47 0.00 2.72 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 16 A 8.05 4.06 1.39 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 17 W 8.26 4.00 0.00 3.46 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.35 3.96 0.00 2.20 2.07 0.00 3.27 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.11 0.00 19 D 8.57 4.39 0.00 2.73 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 20 S 8.20 4.07 0.00 3.80 3.75 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 21 M 7.81 3.75 0.00 1.52 1.56 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.48 0.00 22 E 7.99 3.83 0.00 2.17 2.05 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 2.29 2.34 0.00 23 L 7.99 3.91 0.00 1.87 1.89 0.93 0.78 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 24 V 7.82 3.63 2.14 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 0.99 0.00 0.00 0.91 0.00 0.00 25 E 8.07 3.95 0.00 2.21 1.95 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 2.21 2.34 0.00 26 M 8.01 4.06 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 27 I 8.25 3.70 2.06 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 1.76 1.25 0.85 0.00 0.00 28 Y 8.02 3.70 0.00 2.99 3.01 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 29 R 8.05 4.17 0.00 1.90 2.07 0.00 3.12 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 30 L 7.92 3.93 0.00 1.73 1.72 1.01 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.17 2.90 3.53 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 0.38 0.00 0.00 32 E 7.71 3.94 0.00 2.05 2.24 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 2.45 2.27 0.00 33 V 7.55 4.29 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 0.78 0.00 0.00 1.05 0.00 0.00 34 F 7.79 4.37 0.00 2.99 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 35 P 0.00 4.20 0.00 1.84 1.75 0.00 2.57 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.60 0.00 36 D 8.81 4.31 0.00 2.67 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 37 Q 7.96 4.03 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.21 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 38 E 7.90 4.48 0.00 2.06 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 2.16 2.32 0.00 39 R 7.95 3.66 0.00 1.64 1.31 0.00 2.79 0.00 0.00 2.92 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.16 0.00 40 Y 7.90 4.86 0.00 2.98 2.80 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 41 G 8.15 4.64 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 0.00 0.00 0.00 42 L 9.31 4.10 0.00 2.06 1.94 1.16 0.89 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 43 T 7.95 3.74 3.97 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 1.32 0.00 0.00 44 A 7.46 3.93 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.96 3.97 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.75 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 46 L 8.10 4.03 0.00 1.82 1.64 1.10 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.08 3.87 0.00 1.81 1.78 0.00 2.67 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.48 0.00 48 R 8.30 3.96 0.00 2.00 2.00 0.00 3.16 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 49 A 7.92 4.00 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 50 A 7.90 4.06 1.42 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 0.00 0.00 0.00 51 V 7.81 3.52 2.14 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 1.02 0.00 0.00 1.01 0.00 0.00 52 S 8.22 4.16 0.00 3.99 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 53 I 8.08 3.75 1.98 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 1.70 0.41 0.95 0.00 0.00 54 P 0.00 4.35 0.00 2.15 1.84 0.00 3.96 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 2.12 1.85 0.00 55 S 8.06 4.17 0.00 4.12 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 56 N 8.40 4.49 0.00 2.97 3.26 0.00 0.00 7.08 6.61 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 57 I 8.00 3.80 2.21 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.95 1.12 0.00 0.00 58 A 8.46 3.63 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 59 E 7.96 3.71 0.00 1.79 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.47 0.00 60 G 7.94 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.45 3.08 1.20 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 62 A 6.81 4.35 1.12 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 0.00 0.00 63 R 6.90 4.39 0.00 1.80 1.18 0.00 3.21 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.46 0.00 *68 D 8.98 4.73 0.00 2.84 2.95 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 69 Y 8.23 4.33 0.00 3.03 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 70 S 8.40 4.15 0.00 3.93 3.93 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 71 R 7.91 3.98 0.00 1.84 1.85 0.00 3.05 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 72 F 8.42 4.19 0.00 3.36 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 73 L 8.26 4.12 0.00 2.03 1.77 1.27 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.02 4.16 0.00 3.93 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 0.00 75 I 7.79 3.77 2.09 0.00 0.00 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 1.41 0.56 1.03 0.00 0.00 76 A 8.20 4.02 1.53 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 0.00 0.00 0.00 77 R 8.55 4.05 0.00 1.91 2.01 0.00 3.17 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.86 0.00 78 G 8.08 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 79 S 8.12 4.23 0.00 3.95 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 80 L 8.08 4.04 0.00 1.95 1.95 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.37 4.22 0.00 4.09 4.15 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 82 E 8.13 3.95 0.00 2.29 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 2.35 2.33 0.00 83 L 8.48 3.92 0.00 1.85 1.91 0.96 1.13 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 84 D 8.59 4.34 0.00 2.81 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 85 T 7.95 3.89 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 1.27 0.00 0.00 86 Q 7.96 3.99 0.00 2.44 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.54 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 87 V 8.28 3.68 2.24 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 1.08 0.00 0.00 1.04 0.00 0.00 88 Q 7.99 4.02 0.00 2.33 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 89 I 8.09 3.61 1.96 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 1.68 0.86 0.83 0.00 0.00 90 A 8.23 3.63 1.44 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 0.00 0.00 91 A 7.74 4.02 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 92 R 7.61 3.86 0.00 1.83 1.92 0.00 3.12 0.00 0.00 3.29 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 93 L 7.63 4.01 0.00 0.57 0.77 0.60 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 94 G 7.45 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 0.00 0.00 0.00 95 Y 7.91 4.43 0.00 2.10 1.67 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 96 S 7.64 5.01 0.00 4.11 4.22 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 97 R 8.58 4.10 0.00 2.06 2.08 0.00 3.60 0.00 0.00 3.29 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.77 0.00 98 S 8.69 4.19 0.00 3.87 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 99 E 8.07 4.29 0.00 2.21 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 2.34 2.34 0.00 100 D 8.02 4.37 0.00 2.98 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 0.00 101 D 7.97 4.37 0.00 2.83 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 0.00 102 Q 8.05 4.01 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 103 S 7.98 4.14 0.00 4.04 3.92 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 0.00 104 V 7.86 3.56 2.24 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 1.01 0.00 0.00 0.99 0.00 0.00 105 R 8.18 3.91 0.00 2.10 2.08 0.00 3.15 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 106 R 7.97 3.93 0.00 2.15 1.98 0.00 3.18 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 107 Q 8.02 3.93 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 108 V 8.42 3.61 2.25 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 1.02 0.00 0.00 0.97 0.00 0.00 109 D 8.42 4.48 0.00 2.93 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 0.00 110 L 7.91 3.94 0.00 1.96 1.80 1.02 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 111 V 8.12 3.59 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 0.98 0.00 0.00 0.99 0.00 0.00 112 F 8.72 4.10 0.00 3.21 3.28 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 0.00 113 A 8.15 3.87 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.23 3.97 0.00 2.11 1.89 0.00 1.57 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.54 7.81 115 L 8.30 3.96 0.00 1.79 1.63 1.00 0.73 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 0.00 116 T 7.57 3.68 3.98 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 0.00 0.00 1.04 0.00 0.00 117 A 8.27 4.05 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 0.00 118 L 7.88 3.86 0.00 1.89 1.64 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 119 M 7.93 3.98 0.00 1.98 2.24 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 120 N 7.72 4.49 0.00 2.91 2.81 0.00 0.00 6.98 8.01 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 0.00 121 A 7.17 4.31 1.18 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 0.00 122 L 7.48 4.19 0.00 1.70 1.81 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.