NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3830 8.0176 110.9449 61.0252 70.5643 174.5306 6 P 4.1857 0.0000 0.0000 65.0441 31.5620 177.2238 7 F 4.1560 9.0958 121.8837 60.9717 39.7208 177.6637 8 D 4.2155 8.4576 118.2364 57.2784 40.4677 178.8502 9 A 3.9516 7.4312 121.3125 55.0456 18.2331 179.3671 10 L 3.7754 7.4946 117.4586 57.9991 42.2119 178.5284 11 W 4.0347 8.2076 127.6659 60.6815 30.8097 177.6774 12 Q 4.1151 8.2928 117.8763 58.6933 28.0481 178.7807 13 R 3.9644 7.7954 115.2962 57.5354 29.7973 178.1681 *15 L 3.9006 7.8456 120.7521 54.6119 43.5521 178.9547 16 A 3.9284 7.7566 120.3996 55.1988 18.2610 178.7102 17 R 3.6465 6.7083 112.2549 57.2371 29.9143 177.7529 18 G 3.9400 7.9974 107.1567 44.5072 0.0000 173.9400 19 W 4.6884 7.3945 119.2897 56.9870 30.1118 175.4371 20 T 4.5150 8.3831 113.5192 59.5755 70.2128 172.5276 21 P 5.0568 0.0000 0.0000 62.7282 32.1674 176.0720 22 V 4.6130 8.6083 122.3162 60.0742 34.6675 174.7055 23 S 4.8443 8.4624 116.3651 56.0417 66.0203 174.3865 24 E 3.9708 8.9256 122.2093 59.8163 29.0143 179.4115 25 S 4.2781 8.1687 112.0212 60.5177 63.2202 175.3251 26 R 4.5688 7.8646 119.5963 55.2951 30.8553 177.0566 27 L 4.0117 7.6507 121.5025 58.6001 42.0653 178.4707 28 D 4.4025 8.2338 117.9462 57.6478 40.5504 178.5451 29 D 4.3751 8.0579 117.6041 57.0647 41.3484 178.1481 30 W 4.2457 8.4667 128.9249 60.4499 30.7187 177.8312 31 L 3.6179 8.7775 119.6166 58.0648 40.8687 179.7602 32 T 3.9019 7.8970 108.4291 63.8030 68.5733 175.4309 33 Q 4.4799 7.1783 117.9478 54.9736 30.3752 176.6973 34 A 4.4753 7.2979 122.6911 50.2940 20.1866 174.5018 35 P 4.3312 0.0000 0.0000 64.5832 32.9723 176.6188 36 D 5.1243 8.0145 120.5420 52.5902 42.8492 175.5767 37 G 4.7115 9.1972 110.4707 45.3391 0.0000 170.0756 38 V 5.1536 9.3486 118.7286 61.2063 35.4455 173.8565 39 V 4.5249 8.6446 127.1534 61.0315 34.0892 174.1051 40 L 4.4802 8.7546 129.2155 53.7877 43.1531 175.6078 41 L 4.6817 8.4734 124.8878 52.3956 43.3385 176.1507 42 S 5.0389 8.5099 118.7880 56.8466 66.6035 172.7120 43 S 4.9574 8.4319 116.1721 56.2077 66.9904 173.5789 44 D 4.3717 8.5046 120.2095 53.8601 41.1677 175.1649 45 P 4.6036 0.0000 0.0000 65.5055 31.8411 178.9553 46 K 4.0312 8.0638 117.5975 59.5693 32.1999 178.2703 47 R 3.9402 8.1934 117.1147 58.9890 30.1703 176.2148 48 T 4.4482 7.8668 114.1376 59.3926 68.2309 171.8618 49 P 4.6222 0.0000 0.0000 63.2285 31.2558 177.3289 50 E 4.2422 8.3082 120.8775 58.7665 29.8142 178.7576 51 V 3.7888 7.1015 116.6273 65.3402 31.6593 177.1034 52 S 4.4096 8.0114 114.5255 61.2146 63.5176 175.5683 53 D 4.5545 8.3704 120.4834 56.5688 40.4631 177.8701 54 N 4.2938 8.2364 116.5606 56.6349 39.0758 174.1231 55 P 4.5715 0.0000 0.0000 65.7789 31.2582 178.6404 56 V 3.3596 7.2849 113.1939 64.4770 32.1391 177.5268 *58 I 3.9721 7.9050 120.7164 61.0554 38.9392 177.9608 59 G 3.9192 8.3043 105.9800 48.0586 0.0000 175.3271 60 E 4.3496 8.1163 121.2436 59.2102 29.7832 178.9132 61 L 4.0527 8.2949 119.8305 58.4843 41.7913 178.9910 62 L 3.6189 7.8409 118.8325 57.7981 41.4232 178.6662 63 H 4.7643 7.7942 110.6091 56.8902 28.4953 176.1680 64 E 4.4081 7.9473 120.3008 56.9615 31.2554 176.4838 65 F 5.0620 8.6686 117.6989 55.1661 39.6355 173.7577 66 P 4.5498 0.0000 0.0000 65.4063 31.8451 178.0781 67 D 4.3469 8.3512 116.8259 56.2188 40.8518 175.7298 68 Y 4.3773 7.6084 115.8202 56.2698 41.0480 176.0112 69 T 4.3241 7.7302 117.4058 60.1009 66.2196 174.9502 70 W 4.9210 7.6685 121.5435 57.9934 30.3968 177.2607 71 Q 4.7074 9.1761 124.2898 54.4542 32.4634 173.5766 72 V 4.6864 8.6492 125.3141 61.1329 33.9577 174.0245 73 A 4.9015 8.9072 128.9101 49.7767 22.4130 174.8008 74 I 4.8056 8.3265 113.0648 58.9102 41.0266 174.0991 75 A 5.3886 8.4306 126.1014 50.0656 21.5911 176.8687 76 D 4.7948 8.5810 121.4826 52.4704 41.9890 177.1875 77 L 3.7514 7.7197 118.1574 58.1652 41.5753 179.5940 78 E 3.9502 7.9270 117.6488 59.6730 29.5385 179.4044 79 Q 4.0760 9.1733 118.3911 58.8901 28.7820 178.9091 80 S 4.2164 8.5072 116.8961 61.6000 62.7314 176.5689 81 E 4.2322 8.1546 121.0702 59.1220 29.3076 179.1682 82 A 3.9865 7.8748 120.4588 55.3233 18.3323 179.6763 83 I 3.8998 8.1025 117.3981 64.4301 37.4348 178.5634 84 G 3.9603 8.4428 106.6418 48.2287 0.0000 175.2155 85 D 4.1384 8.2464 122.1049 57.0727 40.6099 179.1492 86 R 3.9755 7.8085 117.6176 58.1754 30.1314 177.4278 87 F 4.5620 8.1054 115.1424 56.3017 39.6568 176.1956 88 G 3.7691 7.5208 105.1920 45.7841 0.0000 174.1031 89 A 4.3379 7.5845 122.6036 51.3782 17.5788 177.6585 90 F 4.5950 8.5473 121.0156 57.8027 39.6624 176.7785 91 R 4.4472 7.8735 121.2058 54.7821 30.6661 173.7042 92 F 5.3160 8.3095 122.4165 55.1013 41.2661 174.0865 93 P 4.6663 0.0000 0.0000 62.8794 32.5046 175.2746 94 A 5.1850 8.4388 123.5017 50.6464 23.4509 175.3934 95 T 4.7616 8.4698 115.2851 61.8430 72.6448 173.4359 96 L 4.6787 8.7849 127.8174 54.2132 43.4080 176.1445 97 V 4.7890 8.6085 123.7590 61.0931 34.1438 174.2079 98 F 5.4147 9.6505 126.1726 56.0466 42.6013 174.1459 99 T 4.7628 9.0912 120.0290 62.0669 72.0232 174.5763 100 G 4.0204 9.4285 115.5294 46.7542 0.0000 174.0884 101 G 3.9660 8.8428 103.8670 45.5998 0.0000 173.3895 102 N 5.0744 8.2849 117.8870 50.9667 40.8371 173.4236 103 Y 4.0907 8.7749 124.1757 57.6304 39.0951 175.2821 104 R 3.9656 9.0260 127.1972 55.4757 31.3861 177.1558 105 G 3.3904 5.3800 103.3583 44.9240 0.0000 170.4241 106 V 4.8213 7.4952 118.4230 59.9169 34.5229 175.1538 107 L 4.4876 9.0043 125.6502 53.7841 42.4273 175.4402 108 N 5.3446 8.8151 121.0876 52.0441 40.6310 175.3642 109 G 3.7911 8.5454 107.1670 44.5653 0.0000 172.0309 110 I 4.5140 7.7581 117.3429 59.4300 40.3291 174.5325 111 H 5.0221 8.5380 123.1709 52.9252 32.9185 171.3617 112 P 4.4684 0.0000 0.0000 62.4758 32.1298 177.3511 113 W 3.9224 9.1919 129.8527 60.9668 30.5634 178.2660 114 A 4.2565 8.3445 119.8887 55.0081 17.6748 178.4223 115 E 4.2581 7.9519 117.1571 56.8969 30.1347 177.9108 116 L 3.9813 7.4755 120.2912 58.0538 42.2714 177.8343 117 I 3.5119 6.9877 116.7743 64.2491 37.8795 176.9973 118 N 4.5871 7.7032 116.8454 55.6390 37.1578 177.6010 119 L 3.9489 7.3836 119.0117 54.8945 41.1730 178.8206 *121 R 4.3560 8.1720 121.5965 56.4756 31.5682 176.9519 122 G 3.8445 7.9258 103.7053 46.5502 0.0000 173.6760 123 L 4.3503 7.2239 116.6724 56.0116 43.1297 177.8956 124 V 4.0849 7.4913 107.8648 61.2678 32.1252 175.5768 125 E 4.2602 8.1606 126.6525 56.4868 29.7657 174.4162 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 T 8.02 4.38 4.29 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 1.27 0.00 0.00 6 P 0.00 4.19 0.00 2.45 2.38 0.00 3.77 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 2.17 2.14 0.00 7 F 9.10 4.16 0.00 3.11 3.14 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 8 D 8.46 4.22 0.00 2.82 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 9 A 7.43 3.95 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.49 3.78 0.00 1.60 1.64 0.91 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 11 W 8.21 4.03 0.00 2.84 3.06 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 12 Q 8.29 4.12 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 2.63 2.56 0.00 13 R 7.80 3.96 0.00 1.85 1.79 0.00 3.11 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 1.56 1.65 0.00 *15 L 7.85 3.90 0.00 1.65 1.58 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.76 3.93 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 17 R 6.71 3.65 0.00 0.67 0.93 0.00 2.21 0.00 0.00 2.95 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.71 0.00 18 G 8.00 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 W 7.39 4.69 0.00 3.09 2.84 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 20 T 8.38 4.52 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 1.38 0.00 0.00 21 P 0.00 5.06 0.00 2.11 2.50 0.00 3.64 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 2.14 2.00 0.00 22 V 8.61 4.61 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 0.45 0.00 0.00 0.78 0.00 0.00 23 S 8.46 4.84 0.00 4.00 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 24 E 8.93 3.97 0.00 2.05 2.03 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 2.44 2.36 0.00 25 S 8.17 4.28 0.00 4.08 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 26 R 7.86 4.57 0.00 1.90 2.02 0.00 3.18 0.00 0.00 3.14 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 27 L 7.65 4.01 0.00 1.80 1.86 0.90 1.65 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 28 D 8.23 4.40 0.00 2.77 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 29 D 8.06 4.38 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 30 W 8.47 4.25 0.00 3.38 3.38 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 31 L 8.78 3.62 0.00 2.01 1.64 0.49 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 32 T 7.90 3.90 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 1.24 0.00 0.00 33 Q 7.18 4.48 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.20 0.00 0.00 0.00 0.00 0.00 2.20 2.37 0.00 34 A 7.30 4.48 0.17 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 35 P 0.00 4.33 0.00 2.06 2.27 0.00 3.48 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 36 D 8.01 5.12 0.00 2.49 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 0.00 0.00 0.00 37 G 9.20 4.71 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 0.00 0.00 0.00 38 V 9.35 5.15 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 0.70 0.00 0.00 0.56 0.00 0.00 39 V 8.64 4.52 2.01 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 0.80 0.00 0.00 0.81 0.00 0.00 40 L 8.75 4.48 0.00 1.49 1.48 0.59 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.47 4.68 0.00 0.81 0.48 0.80 0.65 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 42 S 8.51 5.04 0.00 4.02 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 43 S 8.43 4.96 0.00 3.86 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 44 D 8.50 4.37 0.00 2.64 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 45 P 0.00 4.60 0.00 2.33 2.19 0.00 3.82 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 46 K 8.06 4.03 0.00 1.72 1.89 0.00 1.75 0.00 0.00 1.94 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.42 7.81 47 R 8.19 3.94 0.00 1.76 2.13 0.00 3.23 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 48 T 7.87 4.45 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 1.27 0.00 0.00 49 P 0.00 4.62 0.00 2.24 2.17 0.00 3.44 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 50 E 8.31 4.24 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 2.41 0.00 51 V 7.10 3.79 2.20 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 0.94 0.00 0.00 1.13 0.00 0.00 52 S 8.01 4.41 0.00 3.94 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 53 D 8.37 4.55 0.00 2.89 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 54 N 8.24 4.29 0.00 2.71 2.92 0.00 0.00 6.95 7.69 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 55 P 0.00 4.57 0.00 2.28 2.34 0.00 3.71 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 56 V 7.28 3.36 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 1.00 0.00 0.00 0.99 0.00 0.00 *58 I 7.90 3.97 1.92 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.65 0.57 0.00 0.00 59 G 8.30 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 0.00 0.00 0.00 60 E 8.12 4.35 0.00 2.34 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 2.71 2.60 0.00 61 L 8.29 4.05 0.00 1.58 1.73 0.66 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.84 3.62 0.00 1.91 1.57 0.69 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 63 H 7.79 4.76 0.00 3.41 3.56 0.00 5.55 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 7.95 4.41 0.00 2.53 1.85 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 2.49 3.01 0.00 65 F 8.67 5.06 0.00 3.74 3.56 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 66 P 0.00 4.55 0.00 2.11 2.22 0.00 3.80 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.42 0.00 67 D 8.35 4.35 0.00 2.03 2.45 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 68 Y 7.61 4.38 0.00 1.44 1.75 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 69 T 7.73 4.32 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 1.13 0.00 0.00 70 W 7.67 4.92 0.00 3.29 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 71 Q 9.18 4.71 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 72 V 8.65 4.69 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 -0.48 0.00 0.00 0.45 0.00 0.00 73 A 8.91 4.90 -0.28 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 74 I 8.33 4.81 1.75 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.53 0.92 0.00 0.00 75 A 8.43 5.39 1.23 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 0.00 0.00 76 D 8.58 4.79 0.00 2.55 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 0.00 0.00 0.00 77 L 7.72 3.75 0.00 1.40 1.54 0.55 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 78 E 7.93 3.95 0.00 2.10 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 2.34 2.40 0.00 79 Q 9.17 4.08 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 80 S 8.51 4.22 0.00 4.06 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 81 E 8.15 4.23 0.00 2.18 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 0.00 2.37 2.62 0.00 82 A 7.87 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.10 3.90 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.73 0.98 0.00 0.00 84 G 8.44 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.25 4.14 0.00 2.93 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 86 R 7.81 3.98 0.00 1.78 2.15 0.00 3.22 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.36 0.00 87 F 8.11 4.56 0.00 2.91 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 88 G 7.52 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 89 A 7.58 4.34 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 90 F 8.55 4.59 0.00 3.02 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 91 R 7.87 4.45 0.00 1.76 1.89 0.00 3.32 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 92 F 8.31 5.32 0.00 2.90 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 93 P 0.00 4.67 0.00 2.08 1.97 0.00 3.60 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 94 A 8.44 5.18 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 95 T 8.47 4.76 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 1.01 0.00 0.00 96 L 8.78 4.68 0.00 1.71 1.50 0.05 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.61 4.79 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 0.84 0.00 0.00 0.71 0.00 0.00 98 F 9.65 5.41 0.00 3.19 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 99 T 9.09 4.76 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 1.40 0.00 0.00 100 G 9.43 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 0.00 0.00 0.00 101 G 8.84 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 0.00 102 N 8.28 5.07 0.00 2.94 2.75 0.00 0.00 6.65 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 Y 8.77 4.09 0.00 2.84 2.94 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 0.00 0.00 0.00 0.00 104 R 9.03 3.97 0.00 1.50 1.91 0.00 3.55 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 105 G 5.38 3.39 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 0.00 106 V 7.50 4.82 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 0.85 0.00 0.00 0.96 0.00 0.00 107 L 9.00 4.49 0.00 1.46 1.54 0.68 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.82 5.34 0.00 2.85 2.81 0.00 0.00 6.45 7.00 0.00 0.00 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 8.55 3.79 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 0.00 0.00 0.00 110 I 7.76 4.51 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.00 0.88 0.00 0.00 111 H 8.54 5.02 0.00 3.03 3.14 0.00 5.97 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.47 0.00 2.24 2.05 0.00 3.67 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 113 W 9.19 3.92 0.00 3.48 3.31 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 0.00 114 A 8.34 4.26 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.95 4.26 0.00 2.10 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 2.34 0.00 116 L 7.48 3.98 0.00 1.63 1.03 0.63 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 117 I 6.99 3.51 1.17 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.95 0.94 0.00 0.00 118 N 7.70 4.59 0.00 3.09 3.06 0.00 0.00 7.04 6.55 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 0.00 119 L 7.38 3.95 0.00 1.80 1.56 0.62 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 *121 R 8.17 4.36 0.00 2.20 2.16 0.00 3.25 0.00 0.00 3.49 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 122 G 7.93 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 0.00 123 L 7.22 4.35 0.00 1.51 1.51 0.72 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 124 V 7.49 4.08 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 0.37 0.00 0.00 0.85 0.00 0.00 125 E 8.16 4.26 0.00 2.01 2.01 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 2.30 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.