NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.3530 0.0000 0.0000 62.4727 32.4878 176.7429 6 T 3.9515 8.2066 114.1658 60.7292 70.6989 173.7350 7 I 3.6422 8.3615 121.5687 64.4955 37.5952 179.0033 8 N 4.1759 8.2360 117.2518 57.1811 38.6456 176.5237 9 Q 3.9902 8.2857 119.0511 59.0544 28.5960 178.7256 10 L 3.9803 8.1469 120.2861 57.7948 41.4168 179.6369 11 V 3.6775 8.1836 117.5070 66.4265 31.6015 177.6207 12 R 3.9497 8.1439 116.8047 58.6127 29.5836 178.1662 13 K 3.6363 7.2150 123.3137 56.6018 33.4796 178.6405 14 G 4.1035 7.8940 105.4112 45.7721 0.0000 173.0916 15 R 4.1069 8.0896 118.3018 55.7165 30.8334 175.7735 16 E 4.5512 8.3523 121.3147 53.9625 31.2075 175.5999 17 K 4.0925 8.5070 127.7310 55.9866 32.2804 176.1382 18 V 3.2146 7.7570 119.1658 61.1852 31.9870 171.8989 19 R 3.8420 7.9392 134.1120 55.8456 29.6826 176.0164 20 K 4.6016 8.3108 123.5737 54.9428 35.0985 175.7845 21 K 4.3134 8.1157 118.7476 55.0413 33.5286 176.9650 22 S 4.1555 8.4071 116.5016 57.9940 62.0831 174.7311 23 K 3.9402 8.6146 128.7409 57.6343 31.9183 176.7346 24 V 3.9805 7.4394 114.1689 62.7087 33.0500 170.7664 25 P 4.5837 0.0000 0.0000 61.7767 30.4228 175.6458 26 A 4.4885 8.1003 132.7752 52.5846 20.1289 178.8659 27 L 3.6852 6.8553 121.9501 56.5536 40.7962 174.0665 28 K 4.5221 8.6231 116.7663 60.9917 30.1850 177.9581 29 G 3.6073 7.9923 110.3680 46.5615 0.0000 171.7406 30 A 4.6621 7.3516 125.1412 49.7608 21.3949 175.4476 31 P 3.9587 0.0000 0.0000 65.5008 31.4934 176.0508 32 F 5.0970 7.4505 112.5610 56.4430 43.4839 173.8079 33 R 4.6942 8.7676 119.5528 54.9195 33.7502 174.7436 34 R 4.8985 8.8104 126.1106 54.7734 32.6198 174.7422 35 G 4.4361 7.4464 110.4978 46.3947 0.0000 171.5090 36 V 4.6655 7.9417 120.7676 61.3076 33.7435 175.0692 37 C 4.6252 8.6005 125.2857 59.8405 27.3536 173.4849 38 T 3.9936 8.4409 120.1867 64.6852 67.5934 174.5396 39 V 4.4917 7.5459 118.7619 61.5779 35.6855 174.0716 40 V 4.8071 8.2374 123.9114 60.9290 31.9074 175.8445 41 R 4.4875 8.0891 133.3560 55.6558 29.0824 178.6154 42 T 4.4726 7.7580 103.9862 62.4025 68.4580 173.8716 43 V 4.2326 7.8258 122.8571 60.5769 34.3282 174.4072 44 T 4.8843 8.1677 109.9848 59.6121 71.4294 172.1681 45 P 4.2270 0.0000 0.0000 62.8443 32.5785 175.2273 46 K 4.4486 8.4781 120.1336 57.5014 33.0971 177.5626 47 K 4.2944 6.5502 111.7608 56.0013 34.9132 174.4114 48 P 4.7816 0.0000 0.0000 62.3725 32.1366 174.4151 49 N 4.9551 7.8697 116.2797 52.0410 40.8398 174.1218 50 S 4.4532 8.1145 112.7666 56.1177 65.2943 173.1741 51 A 4.2727 7.4617 128.4899 52.8776 21.9966 175.6991 52 L 5.0467 7.8647 113.8754 51.9932 41.8124 177.1374 53 R 4.1307 7.7551 118.7428 57.1012 32.1093 177.3103 54 K 4.3926 8.7714 121.9194 55.3345 33.8116 175.7878 55 V 4.9002 8.4222 124.1072 61.1027 35.6900 173.9092 56 A 4.8177 8.8770 125.7745 50.3764 22.8548 175.8094 57 K 4.7004 8.9559 122.1609 56.0703 34.1338 176.3746 58 V 4.8346 9.2660 123.6627 61.1658 35.3001 174.2308 59 R 4.6603 9.5252 129.8979 55.8352 30.7067 175.9882 60 L 4.8141 10.0598 127.3176 54.0063 42.7250 177.6168 61 T 4.0104 8.2729 110.5144 65.2319 68.6163 178.8723 62 S 4.3066 8.0025 119.2151 57.5390 61.8583 174.6978 63 G 3.9715 8.2785 105.9740 47.7404 0.0000 173.4699 64 Y 4.4440 7.8440 116.9228 57.2893 39.9059 174.3741 65 E 5.5216 8.3038 121.3076 54.3362 32.4254 174.6694 66 V 4.7513 8.2076 118.7912 59.8638 36.9091 173.9736 67 T 4.8187 8.5545 112.5918 61.5276 69.6918 173.9018 68 A 5.1252 9.2989 126.7568 50.3063 23.0778 174.8824 69 Y 4.9527 9.3425 122.3992 57.0516 41.0764 174.2006 70 I 4.5673 5.8823 120.5713 58.7921 40.4221 174.5636 71 P 4.1101 0.0000 0.0000 61.7362 32.3914 175.6413 72 G 3.6707 8.0155 106.2303 46.7803 0.0000 172.1269 73 E 4.0950 8.6276 117.7249 56.5824 30.1055 177.1406 74 G 3.9954 8.5431 115.3306 45.4566 0.0000 172.4443 75 H 4.5530 8.0758 111.2403 56.6809 31.4613 174.5205 76 N 4.5225 8.4109 111.1813 51.5575 37.0303 174.2342 77 L 4.4879 7.7944 118.3902 54.7649 43.4100 176.4030 78 Q 4.6946 8.8053 121.5546 53.3956 31.7385 176.1665 79 E 4.0175 8.7892 119.5571 59.3900 29.5332 176.6860 80 H 4.9919 7.7767 113.9362 56.0576 30.7993 173.1666 81 S 4.5021 8.4381 115.6354 57.8496 64.2829 174.2708 82 V 4.2186 8.4511 125.3202 63.1689 32.5746 174.9440 83 V 4.8888 8.8079 125.5855 61.9440 35.9514 172.0176 84 L 5.0044 8.5905 125.7449 53.4277 44.1722 174.8614 85 I 4.5901 8.8323 128.0445 60.8010 38.0625 176.5089 86 R 4.4731 10.0337 128.6391 56.4287 31.3994 174.6915 87 G 3.7664 10.4875 108.3174 45.5377 0.0000 171.6826 88 G 4.0328 8.0303 108.0400 44.9830 0.0000 171.0926 89 R 4.1774 8.7547 123.7078 55.5347 30.3285 177.0298 90 V 4.1527 7.5097 119.1618 62.1877 30.2869 174.5761 91 K 4.5482 7.2022 124.8072 54.3981 32.2919 175.1052 92 D 5.6293 7.8323 133.6497 54.3442 42.6454 175.9895 93 L 4.6770 6.8788 118.4588 52.9278 44.7530 173.8988 94 P 4.3566 0.0000 0.0000 64.0417 31.9085 175.5481 95 G 4.2465 9.2465 118.3459 45.7431 0.0000 173.1085 96 V 3.5918 6.9227 124.8685 63.1728 31.2445 175.6416 97 R 4.4433 8.6581 124.4004 55.6702 32.2278 174.6849 98 Y 5.1267 7.8787 116.0426 57.1841 42.5447 173.7272 99 H 5.2852 9.2852 119.6221 54.5619 31.9640 173.6232 100 I 4.8216 7.9044 121.3829 59.8338 38.2985 175.8894 101 V 3.6607 9.0396 127.8902 62.9666 30.8219 176.0641 102 R 3.9314 8.6500 127.4161 57.0064 30.5334 177.0190 103 G 4.1496 8.6731 105.5164 45.4654 0.0000 173.5644 104 V 4.2809 6.7665 117.8436 61.5904 35.4407 175.8641 105 Y 4.0015 7.8293 122.3623 59.7510 36.6712 173.3875 106 D 4.4586 9.2292 127.2157 56.9113 40.9135 176.2626 107 A 4.0346 8.4697 124.4642 51.8263 18.6417 176.2247 108 A 4.4671 8.2717 127.3031 50.5959 20.0400 177.2212 109 G 3.9340 8.4583 109.7674 46.3680 0.0000 172.4128 110 V 4.2031 7.8167 119.9511 61.7551 32.3041 175.5381 111 K 4.0483 8.6763 129.6651 56.8451 32.7063 176.1112 112 D 4.5182 8.9066 125.3767 54.9509 38.3166 173.7123 113 R 4.1777 7.8779 119.2051 56.1806 30.6036 176.2035 114 K 4.6568 8.4065 121.6588 56.2906 35.6030 176.7406 115 K 4.7232 7.3959 123.3491 55.1628 30.4026 180.0567 116 S 4.0992 8.7393 126.4495 60.1673 62.6066 173.7638 117 R 4.5800 8.3015 121.9417 55.2368 32.6866 177.5503 118 S 4.0736 8.4073 111.7624 61.0635 62.0935 174.7085 119 K 4.3355 7.8285 119.0002 57.4281 32.6405 177.0328 120 Y 3.7329 8.9035 119.2282 57.6623 35.1181 169.7434 121 G 3.8169 7.8017 106.7488 46.6317 0.0000 174.0234 122 T 4.3638 7.4317 117.2070 61.6813 69.6200 175.8593 123 K 4.0363 8.4150 125.7104 55.9700 32.7291 176.7494 124 K 4.0689 8.4165 123.5727 55.4110 32.0001 175.1538 125 P 4.4856 0.0000 0.0000 62.3688 32.2064 175.4309 126 K 4.4807 8.2233 120.0631 55.2770 33.4870 176.1595 127 E 4.1723 8.7654 122.9157 56.0477 30.7114 175.9270 128 A 3.5470 7.8491 120.3364 52.8922 16.1382 176.4576 *129 A 4.1172 7.7710 127.0799 52.7593 18.9464 177.1787 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 5 P 0.00 4.35 0.00 2.19 2.14 0.00 3.74 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 1.88 1.96 0.00 6 T 8.21 3.95 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 7 I 8.36 3.64 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 1.52 1.11 0.91 0.00 0.00 8 N 8.24 4.18 0.00 2.75 2.85 0.00 0.00 7.05 7.19 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 9 Q 8.29 3.99 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.54 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 10 L 8.15 3.98 0.00 1.85 1.73 0.92 0.71 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 11 V 8.18 3.68 2.31 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 0.83 0.00 0.00 0.96 0.00 0.00 12 R 8.14 3.95 0.00 2.01 1.77 0.00 3.23 0.00 0.00 3.22 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 13 K 7.22 3.64 0.00 1.86 1.77 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.45 7.81 14 G 7.89 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 15 R 8.09 4.11 0.00 1.81 1.87 0.00 3.34 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 16 E 8.35 4.55 0.00 1.90 1.82 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 2.20 2.26 0.00 17 K 8.51 4.09 0.00 1.75 1.69 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.40 7.81 18 V 7.76 3.21 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 0.72 0.00 0.00 0.93 0.00 0.00 19 R 7.94 3.84 0.00 1.95 2.01 0.00 3.21 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 20 K 8.31 4.60 0.00 1.87 1.76 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.36 7.81 21 K 8.12 4.31 0.00 1.75 1.78 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.48 7.81 22 S 8.41 4.16 0.00 3.86 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 23 K 8.61 3.94 0.00 1.72 1.76 0.00 1.83 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.39 7.81 24 V 7.44 3.98 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 0.89 0.00 0.00 0.58 0.00 0.00 25 P 0.00 4.58 0.00 2.30 2.15 0.00 4.00 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.12 0.00 26 A 8.10 4.49 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 27 L 6.86 3.69 0.00 1.75 1.63 0.51 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.62 4.52 0.00 1.74 1.72 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.46 7.81 29 G 7.99 3.61 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 0.00 30 A 7.35 4.66 1.30 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 0.00 0.00 0.00 31 P 0.00 3.96 0.00 2.01 1.88 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 32 F 7.45 5.10 0.00 2.94 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 33 R 8.77 4.69 0.00 1.83 1.69 0.00 3.25 0.00 0.00 3.02 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00 34 R 8.81 4.90 0.00 2.00 1.77 0.00 2.74 0.00 0.00 3.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.39 0.00 35 G 7.45 4.44 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 0.00 36 V 7.94 4.67 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 0.91 0.00 0.00 0.89 0.00 0.00 37 C 8.60 4.63 0.00 3.06 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 38 T 8.44 3.99 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 39 V 7.55 4.49 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 0.89 0.00 0.00 0.92 0.00 0.00 40 V 8.24 4.81 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 0.93 0.00 0.00 0.95 0.00 0.00 41 R 8.09 4.49 0.00 1.88 1.66 0.00 3.36 0.00 0.00 3.16 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 42 T 7.76 4.47 4.25 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 1.22 0.00 0.00 43 V 7.83 4.23 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 0.88 0.00 0.00 0.96 0.00 0.00 44 T 8.17 4.88 4.25 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 1.22 0.00 0.00 45 P 0.00 4.23 0.00 2.20 2.08 0.00 3.61 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 2.06 2.11 0.00 46 K 8.48 4.45 0.00 1.85 1.65 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.34 7.81 47 K 6.55 4.29 0.00 1.78 1.74 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.47 7.81 48 P 0.00 4.78 0.00 2.18 2.08 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.94 0.00 49 N 7.87 4.96 0.00 2.73 2.77 0.00 0.00 6.58 7.67 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 50 S 8.11 4.45 0.00 3.77 3.68 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 51 A 7.46 4.27 1.30 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 0.00 0.00 0.00 52 L 7.86 5.05 0.00 1.62 1.62 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.76 4.13 0.00 1.87 2.10 0.00 3.24 0.00 0.00 3.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 54 K 8.77 4.39 0.00 1.56 1.57 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.43 7.81 55 V 8.42 4.90 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 1.12 0.00 0.00 1.07 0.00 0.00 56 A 8.88 4.82 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 57 K 8.96 4.70 0.00 1.74 1.73 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.40 7.81 58 V 9.27 4.83 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 0.78 0.00 0.00 0.93 0.00 0.00 59 R 9.53 4.66 0.00 1.89 1.79 0.00 3.18 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 60 L 10.06 4.81 0.00 1.62 1.56 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.27 4.01 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 1.23 0.00 0.00 62 S 8.00 4.31 0.00 3.78 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 63 G 8.28 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 0.00 0.00 0.00 0.00 64 Y 7.84 4.44 0.00 2.88 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 65 E 8.30 5.52 0.00 1.89 1.74 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 2.17 2.18 0.00 66 V 8.21 4.75 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 0.87 0.00 0.00 0.66 0.00 0.00 67 T 8.55 4.82 4.31 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 1.25 0.00 0.00 68 A 9.30 5.13 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 69 Y 9.34 4.95 0.00 2.89 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 70 I 5.88 4.57 1.46 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.51 0.68 0.00 0.00 71 P 0.00 4.11 0.00 1.37 1.56 0.00 3.56 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.00 0.00 72 G 8.02 3.67 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 0.00 0.00 0.00 73 E 8.63 4.10 0.00 2.01 1.92 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 2.34 2.36 0.00 74 G 8.54 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 75 H 8.08 4.55 0.00 3.18 3.15 0.00 5.57 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 76 N 8.41 4.52 0.00 2.74 2.80 0.00 0.00 5.84 7.79 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 77 L 7.79 4.49 0.00 1.73 1.66 0.93 0.95 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 78 Q 8.81 4.69 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 79 E 8.79 4.02 0.00 1.95 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 2.29 2.53 0.00 80 H 7.78 4.99 0.00 2.96 3.22 0.00 5.94 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.44 4.50 0.00 3.79 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 82 V 8.45 4.22 2.30 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 0.62 0.00 0.00 0.87 0.00 0.00 83 V 8.81 4.89 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 0.84 0.00 0.00 0.98 0.00 0.00 84 L 8.59 5.00 0.00 1.77 1.43 0.48 1.08 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 85 I 8.83 4.59 2.06 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 1.03 1.21 0.94 0.00 0.00 86 R 10.03 4.47 0.00 1.96 2.32 0.00 3.42 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.92 0.00 87 G 10.49 3.77 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 0.00 0.00 0.00 88 G 8.03 4.03 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 0.00 0.00 0.00 89 R 8.75 4.18 0.00 1.73 1.84 0.00 3.01 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 90 V 7.51 4.15 1.83 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 0.38 0.00 0.00 0.52 0.00 0.00 91 K 7.20 4.55 0.00 1.70 1.72 0.00 1.84 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.51 7.81 92 D 7.83 5.63 0.00 2.83 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 93 L 6.88 4.68 0.00 1.59 1.46 0.81 1.03 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 94 P 0.00 4.36 0.00 2.03 1.98 0.00 3.63 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 95 G 9.25 4.25 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 0.00 96 V 6.92 3.59 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 0.96 0.00 0.00 0.94 0.00 0.00 97 R 8.66 4.44 0.00 1.47 1.16 0.00 3.03 0.00 0.00 3.28 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.76 0.00 98 Y 7.88 5.13 0.00 2.95 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 99 H 9.29 5.29 0.00 3.21 3.29 0.00 5.80 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 7.90 4.82 1.93 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 1.15 0.66 0.95 0.00 0.00 101 V 9.04 3.66 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.84 0.00 0.00 102 R 8.65 3.93 0.00 1.79 1.81 0.00 3.56 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.39 0.00 103 G 8.67 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 0.00 0.00 0.00 104 V 6.77 4.28 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 0.14 0.00 0.00 0.71 0.00 0.00 105 Y 7.83 4.00 0.00 3.13 2.28 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 0.00 106 D 9.23 4.46 0.00 2.96 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 0.00 107 A 8.47 4.03 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 0.00 108 A 8.27 4.47 1.30 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 0.00 0.00 0.00 109 G 8.46 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 0.00 0.00 0.00 110 V 7.82 4.20 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 0.83 0.00 0.00 1.10 0.00 0.00 111 K 8.68 4.05 0.00 1.82 1.71 0.00 1.94 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.48 7.81 112 D 8.91 4.52 0.00 2.89 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 0.00 113 R 7.88 4.18 0.00 1.80 1.83 0.00 3.26 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 114 K 8.41 4.66 0.00 1.72 1.77 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.57 7.81 115 K 7.40 4.72 0.00 1.65 0.95 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.36 7.81 116 S 8.74 4.10 0.00 3.53 3.68 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 0.00 117 R 8.30 4.58 0.00 1.79 2.03 0.00 3.56 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.73 0.00 118 S 8.41 4.07 0.00 3.82 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 0.00 119 K 7.83 4.34 0.00 1.90 2.04 0.00 1.72 0.00 0.00 1.90 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.48 7.81 120 Y 8.90 3.73 0.00 3.10 3.25 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 0.00 121 G 7.80 3.82 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 0.00 0.00 0.00 122 T 7.43 4.36 4.25 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 1.36 0.00 0.00 123 K 8.41 4.04 0.00 1.74 1.74 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.37 7.81 124 K 8.42 4.07 0.00 1.69 1.74 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.48 7.81 125 P 0.00 4.49 0.00 2.21 2.03 0.00 3.79 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 126 K 8.22 4.48 0.00 1.71 1.73 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.17 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.59 7.81 127 E 8.77 4.17 0.00 1.99 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 2.25 2.23 0.00 128 A 7.85 3.55 1.30 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 0.00 0.00 0.00 *129 A 7.77 4.12 1.24 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.