NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.5073 8.2116 122.9829 52.2875 20.2620 176.5361 2 T 4.2266 7.5502 116.7293 61.8002 69.4774 172.2757 3 K 5.3503 8.8989 126.4959 54.9218 37.4772 174.4009 4 A 5.2676 9.3163 123.8613 50.8233 23.4835 174.9989 5 V 5.0225 8.6791 117.2934 61.0337 35.6539 173.6516 6 C 4.8261 9.0442 121.0450 58.2534 35.4014 172.6690 7 V 4.6216 8.4501 126.3483 61.3033 32.7675 174.4250 8 L 4.5624 8.7819 129.6337 54.6213 42.8622 176.5707 9 K 4.9522 9.5720 122.0311 55.4139 37.0817 175.2567 10 G 4.4975 8.3358 108.5380 45.6344 0.0000 172.5156 11 D 4.5904 9.0455 119.7695 57.3636 40.9937 178.3099 12 G 3.9287 7.6068 105.9033 44.4867 0.0000 170.9783 13 P 4.3971 0.0000 0.0000 63.8272 31.7667 176.4531 14 V 4.0952 7.6261 119.5469 63.2608 31.9850 174.9745 15 Q 4.6958 8.3386 123.3111 55.7864 32.3265 173.0644 16 G 4.2594 7.7824 107.0743 46.4671 0.0000 171.7486 17 I 5.1710 7.7576 119.8073 59.4535 41.0254 175.2461 18 I 4.5386 8.9416 126.8010 59.4453 41.1372 174.1296 19 N 5.0888 8.2596 123.0789 51.1728 41.8646 173.5134 20 F 5.2314 8.9637 120.7751 55.6838 42.9308 173.8256 21 E 5.1253 9.2578 123.2517 55.0146 33.4640 173.9125 22 Q 4.8619 9.0498 127.3663 54.0896 29.4773 174.2359 23 K 4.1285 8.8454 125.3180 58.2455 32.6396 177.0914 24 E 4.7363 7.7449 115.6102 53.8411 32.5777 175.8876 25 S 4.0582 8.4614 117.4935 60.3337 63.3493 175.9460 26 N 4.3432 9.0812 121.6557 54.3274 38.8530 174.3260 27 G 3.9075 7.6583 106.0264 44.6764 0.0000 170.9735 28 P 4.6844 0.0000 0.0000 62.3154 32.6274 176.3563 29 V 4.5717 9.0741 122.4768 61.3167 33.6932 174.7577 30 K 4.8585 9.4204 128.7055 55.9059 33.3180 175.9619 31 V 4.7468 9.1496 125.6866 60.6897 34.1894 174.2502 32 W 5.1043 7.8446 123.7513 55.5830 31.8554 174.8757 33 G 3.8099 8.0272 107.9252 46.0307 0.0000 171.5197 34 S 5.1240 7.8572 112.4474 56.6217 66.4899 174.0636 35 I 4.9408 9.2607 126.0719 59.3640 41.0915 174.5868 36 K 4.8827 9.1322 124.8386 55.5602 36.1166 176.9925 37 G 3.8976 8.9582 106.9571 46.5337 0.0000 173.2160 38 L 4.4918 7.4998 119.7278 52.8038 43.0359 176.5966 39 T 4.1915 8.3420 112.3359 61.5946 69.1480 173.4687 40 E 4.1527 8.4534 124.2625 56.2586 30.9367 176.4130 41 G 3.6878 7.6568 112.2126 44.5890 0.0000 171.5254 42 L 5.2048 8.1063 121.3054 53.5049 43.8045 176.0281 43 H 5.1615 9.0823 119.7018 53.4944 32.8841 173.3401 44 G 4.0172 9.1198 110.3066 46.9988 0.0000 172.4012 45 F 5.5299 9.0072 125.5999 56.5492 41.4486 172.5996 46 H 5.1588 9.4229 121.9898 53.5153 33.3519 172.8924 47 V 4.4873 8.5701 122.2843 62.3419 32.1650 175.2155 48 H 5.0585 9.1514 126.2574 54.7446 30.2620 176.3457 49 E 3.8100 8.7880 121.6989 58.6642 29.7386 177.0616 50 F 5.0299 7.9036 116.8000 55.0264 41.5690 176.0502 51 G 4.1600 8.5904 109.8191 44.8616 0.0000 172.7904 52 D 4.6433 8.1243 120.1344 53.0140 41.8102 175.2261 53 N 5.2581 8.5042 124.9231 53.4865 39.8650 175.9798 54 T 3.9906 8.2861 109.0140 63.0776 69.0302 174.6266 55 A 4.6554 7.9619 125.4665 51.5774 19.8850 177.8398 56 G 3.8627 7.7708 109.3079 47.2776 0.0000 175.1222 57 C 4.3800 8.6168 115.0852 59.8102 39.2693 175.9386 58 T 3.8177 8.1641 117.0172 66.8108 68.0094 175.8213 59 S 4.4760 7.6403 111.0747 58.9133 62.9243 174.8287 60 A 4.3721 7.9905 125.1356 53.5232 18.8590 178.9566 61 G 4.1330 7.6073 102.8146 44.0356 0.0000 170.8044 62 P 4.7557 0.0000 0.0000 61.3236 34.0856 174.7704 63 H 4.1384 8.4608 116.3410 56.3879 29.5724 175.2458 64 F 4.3218 9.4710 125.4343 58.4571 40.1943 174.2100 65 N 4.6000 8.2242 124.9885 51.0522 39.3911 172.3187 66 P 3.9230 0.0000 0.0000 64.4809 31.8823 176.7409 *79 R 4.0365 7.6066 112.6088 55.7448 30.6826 174.7952 80 H 4.7895 8.6053 115.5024 54.7936 29.3012 177.2421 81 V 3.4796 8.4285 122.2946 65.3650 31.4736 176.9515 82 G 3.9525 7.9007 106.6666 45.1353 0.0000 172.9481 83 D 4.7928 7.9149 120.3540 54.1435 39.5915 175.5426 84 L 4.6108 8.2218 123.6756 54.1787 43.1780 178.2134 85 G 4.0462 7.8020 112.9961 46.5862 0.0000 176.2174 86 N 5.6853 8.7782 119.0025 51.2997 42.6156 172.3239 87 V 4.4689 8.7887 113.0363 59.8588 36.2159 175.0139 88 T 4.9828 8.2457 118.3247 61.8418 71.4647 172.9154 89 A 4.9032 9.1275 130.2189 50.8178 20.5065 177.4151 90 D 4.8556 8.6687 123.5051 52.2793 40.9302 177.0389 91 K 4.2088 8.5806 117.3101 59.3794 32.7936 176.9832 92 D 4.7372 9.2733 120.6475 53.9953 41.3885 176.9610 93 A 4.2525 8.0569 118.7954 52.2462 17.0080 177.4552 94 V 4.7501 7.4998 117.6727 62.1425 33.5525 174.5291 95 A 5.3852 9.0377 131.2083 50.3472 20.3290 175.1703 96 D 4.8700 8.6406 123.2046 52.6759 42.5677 175.5236 97 V 4.0259 8.9136 127.9254 61.9349 33.1399 174.9256 98 S 4.9625 8.5891 122.2333 57.2482 64.5468 172.5371 99 I 4.7605 9.8453 128.4203 59.6610 41.6103 175.1377 100 E 5.0027 8.6867 124.5901 55.6226 31.0734 173.3599 101 D 5.0903 9.0439 127.0060 52.6526 43.8821 176.6839 102 S 4.7892 8.7001 117.1592 58.3381 64.5692 175.3589 103 V 3.8858 8.1436 120.6894 65.1007 31.7126 176.2970 104 I 4.1555 8.3859 111.8262 61.0454 38.4276 174.7494 105 S 4.6407 8.1279 112.9999 57.4598 64.8398 174.5365 106 L 4.4213 8.5844 125.6744 55.3580 41.9916 176.7539 107 S 4.5905 7.6650 111.8096 57.9195 66.6179 175.5366 108 G 3.9053 8.6156 107.3625 45.2276 0.0000 174.6918 109 D 4.3763 8.8683 118.9304 57.4456 41.1275 177.6929 110 H 5.1918 7.6717 114.4536 54.9635 29.3134 174.5376 111 C 4.9798 8.1376 118.6026 59.3680 32.0614 172.9310 112 I 4.0674 7.9862 117.3293 60.1379 38.3373 175.4411 113 I 3.6850 7.3451 122.3598 62.9287 37.4292 176.2591 114 G 3.8091 9.2042 112.1990 45.6040 0.0000 172.7372 115 R 4.8666 7.3508 118.1721 54.4529 34.1117 174.3957 116 T 4.9714 7.9024 114.8644 61.9906 71.0970 173.7326 117 L 4.7982 8.6799 128.2320 53.6201 44.1743 175.2152 118 V 5.0130 9.1449 126.0225 61.0072 35.0822 174.1438 119 V 5.0454 8.4128 126.7117 60.6082 33.4719 175.2361 120 H 5.1595 9.4324 122.8373 54.4133 30.2913 175.2250 121 E 4.1642 9.1962 121.2496 59.1377 30.0457 176.1022 122 K 4.8890 8.2374 117.5195 54.2946 36.1304 175.6557 123 A 4.6772 8.5111 123.3353 52.0013 19.5279 176.2984 124 D 4.6292 8.7136 119.3546 52.6482 42.0991 176.1467 *140 A 4.2087 8.5103 129.6623 50.5120 20.5392 176.8514 141 G 4.1267 8.1750 102.0958 43.9779 0.0000 172.6456 142 S 4.2558 8.0087 112.6473 59.1679 63.9895 174.1275 143 R 4.4716 8.4104 120.6896 55.4953 30.0303 176.4548 144 L 4.3003 8.9904 125.3734 57.4556 43.1982 176.9159 145 A 4.7795 7.7798 117.1603 51.7362 22.6373 174.1933 146 C 5.7980 7.9826 114.0232 55.5470 46.5686 172.7333 147 G 4.4783 7.9873 101.5360 45.9578 0.0000 173.1282 148 V 4.2224 8.5078 123.7030 62.3813 32.6921 175.6326 149 I 3.9514 9.4535 130.3798 61.3866 37.7843 175.6632 150 G 4.3062 8.8113 114.9798 44.2910 0.0000 171.5771 151 I 4.5039 8.1324 120.8406 60.6444 37.7644 176.2599 152 A 4.5266 8.4333 129.4048 50.3015 21.0377 176.9359 153 Q 4.0739 8.4081 118.7103 56.5434 29.2283 175.5299 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 1 A 8.21 4.51 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 2 T 7.55 4.23 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 1.24 0.00 0.00 3 K 8.90 5.35 0.00 1.74 1.82 0.00 1.75 0.00 0.00 1.94 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.48 7.81 4 A 9.32 5.27 1.09 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 0.00 0.00 5 V 8.68 5.02 2.07 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 0.62 0.00 0.00 0.96 0.00 0.00 6 C 9.04 4.83 0.00 3.10 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 7 V 8.45 4.62 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 0.95 0.00 0.00 0.93 0.00 0.00 8 L 8.78 4.56 0.00 1.67 1.60 1.06 0.80 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 9 K 9.57 4.95 0.00 1.61 1.63 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.40 7.81 10 G 8.34 4.50 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 11 D 9.05 4.59 0.00 2.66 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 12 G 7.61 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 13 P 0.00 4.40 0.00 2.19 2.09 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 14 V 7.63 4.10 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 0.77 0.00 0.00 0.92 0.00 0.00 15 Q 8.34 4.70 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.51 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 16 G 7.78 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 0.00 0.00 0.00 0.00 17 I 7.76 5.17 1.85 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 1.22 1.21 0.87 0.00 0.00 18 I 8.94 4.54 1.92 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.35 0.58 0.00 0.00 19 N 8.26 5.09 0.00 1.44 1.42 0.00 0.00 6.61 7.78 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 20 F 8.96 5.23 0.00 2.94 2.88 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 0.00 0.00 0.00 21 E 9.26 5.13 0.00 2.47 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 0.00 2.35 2.42 0.00 22 Q 9.05 4.86 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.71 0.00 0.00 0.00 0.00 0.00 2.49 2.57 0.00 23 K 8.85 4.13 0.00 1.89 1.88 0.00 1.67 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.58 1.52 7.81 24 E 7.74 4.74 0.00 1.93 1.84 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 2.21 2.24 0.00 25 S 8.46 4.06 0.00 3.89 3.81 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 26 N 9.08 4.34 0.00 2.84 2.97 0.00 0.00 7.05 7.98 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 27 G 7.66 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 28 P 0.00 4.68 0.00 2.00 2.03 0.00 3.69 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 2.10 0.00 29 V 9.07 4.57 2.23 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 1.26 0.00 0.00 1.07 0.00 0.00 30 K 9.42 4.86 0.00 1.99 1.92 0.00 1.65 0.00 0.00 1.52 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.63 1.47 7.81 31 V 9.15 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 0.69 0.00 0.00 1.00 0.00 0.00 32 W 7.84 5.10 0.00 3.49 3.19 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 33 G 8.03 3.81 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 0.00 0.00 0.00 34 S 7.86 5.12 0.00 3.87 3.64 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 35 I 9.26 4.94 1.80 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.42 0.91 0.00 0.00 36 K 9.13 4.88 0.00 1.78 1.87 0.00 1.31 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.29 1.34 7.81 37 G 8.96 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 0.00 0.00 0.00 38 L 7.50 4.49 0.00 1.82 1.51 0.85 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.34 4.19 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 1.28 0.00 0.00 40 E 8.45 4.15 0.00 2.02 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 0.00 2.33 2.51 0.00 41 G 7.66 3.69 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 0.00 0.00 0.00 42 L 8.11 5.20 0.00 1.47 1.57 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.08 5.16 0.00 3.04 3.37 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.12 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 45 F 9.01 5.53 0.00 3.02 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 46 H 9.42 5.16 0.00 3.20 3.03 0.00 5.85 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 47 V 8.57 4.49 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 0.88 0.00 0.00 0.86 0.00 0.00 48 H 9.15 5.06 0.00 3.07 3.38 0.00 5.68 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.79 3.81 0.00 1.62 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 1.47 2.00 0.00 50 F 7.90 5.03 0.00 2.98 2.82 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 51 G 8.59 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 0.00 0.00 0.00 0.00 52 D 8.12 4.64 0.00 2.63 2.88 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 0.00 0.00 0.00 53 N 8.50 5.26 0.00 2.78 2.66 0.00 0.00 6.94 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 54 T 8.29 3.99 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 1.26 0.00 0.00 55 A 7.96 4.66 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 56 G 7.77 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 0.00 0.00 0.00 57 C 8.62 4.38 0.00 2.98 3.10 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 58 T 8.16 3.82 4.36 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 1.22 0.00 0.00 59 S 7.64 4.48 0.00 3.98 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 60 A 7.99 4.37 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 61 G 7.61 4.13 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 0.00 62 P 0.00 4.76 0.00 2.11 2.16 0.00 3.25 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.12 0.00 63 H 8.46 4.14 0.00 2.85 3.20 0.00 5.72 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 64 F 9.47 4.32 0.00 2.96 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 65 N 8.22 4.60 0.00 2.53 2.39 0.00 0.00 7.15 7.71 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 66 P 0.00 3.92 0.00 1.89 2.03 0.00 3.03 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.48 0.00 *79 R 7.61 4.04 0.00 1.89 1.94 0.00 3.02 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 80 H 8.61 4.79 0.00 3.43 3.30 0.00 5.66 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.43 3.48 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 0.66 0.00 0.00 0.48 0.00 0.00 82 G 7.90 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 83 D 7.91 4.79 0.00 2.71 2.68 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 84 L 8.22 4.61 0.00 1.78 1.82 0.81 1.18 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 85 G 7.80 4.05 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 0.00 0.00 0.00 86 N 8.78 5.69 0.00 2.57 2.69 0.00 0.00 6.55 7.68 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 87 V 8.79 4.47 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 -0.14 0.00 0.00 0.85 0.00 0.00 88 T 8.25 4.98 4.21 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 1.20 0.00 0.00 89 A 9.13 4.90 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 90 D 8.67 4.86 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 91 K 8.58 4.21 0.00 1.88 1.99 0.00 1.54 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.46 7.81 92 D 9.27 4.74 0.00 2.79 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 93 A 8.06 4.25 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 94 V 7.50 4.75 2.23 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 0.98 0.00 0.00 1.00 0.00 0.00 95 A 9.04 5.39 1.16 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 0.00 0.00 96 D 8.64 4.87 0.00 2.67 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.91 4.03 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 0.76 0.00 0.00 0.64 0.00 0.00 98 S 8.59 4.96 0.00 3.88 3.71 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 99 I 9.85 4.76 1.97 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.68 1.01 0.00 0.00 100 E 8.69 5.00 0.00 1.97 1.86 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 2.23 2.36 0.00 101 D 9.04 5.09 0.00 2.93 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.70 4.79 0.00 3.88 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 0.00 103 V 8.14 3.89 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 0.80 0.00 0.00 0.94 0.00 0.00 104 I 8.39 4.16 1.95 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 1.48 0.82 1.08 0.00 0.00 105 S 8.13 4.64 0.00 3.88 3.76 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 0.00 106 L 8.58 4.42 0.00 1.90 1.69 1.00 0.70 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 0.00 107 S 7.67 4.59 0.00 3.92 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 0.00 108 G 8.62 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 0.00 109 D 8.87 4.38 0.00 2.51 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 0.00 110 H 7.67 5.19 0.00 3.24 3.34 0.00 5.73 0.00 0.00 0.00 0.00 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.14 4.98 0.00 3.16 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 0.00 112 I 7.99 4.07 1.61 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.45 0.98 0.00 0.00 113 I 7.35 3.69 1.78 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 1.23 0.73 0.89 0.00 0.00 114 G 9.20 3.81 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 0.00 0.00 0.00 115 R 7.35 4.87 0.00 1.51 1.70 0.00 2.21 0.00 0.00 2.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.47 0.00 116 T 7.90 4.97 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 1.26 0.00 0.00 117 L 8.68 4.80 0.00 1.74 1.54 0.40 1.07 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 0.00 118 V 9.14 5.01 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 0.92 0.00 0.00 0.84 0.00 0.00 119 V 8.41 5.05 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 0.80 0.00 0.00 0.98 0.00 0.00 120 H 9.43 5.16 0.00 3.14 3.54 0.00 5.66 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.20 4.16 0.00 2.13 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 2.38 2.34 0.00 122 K 8.24 4.89 0.00 1.88 1.71 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.38 7.81 123 A 8.51 4.68 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 0.00 124 D 8.71 4.63 0.00 2.71 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 *140 A 8.51 4.21 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 0.00 141 G 8.18 4.13 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 0.00 142 S 8.01 4.26 0.00 3.89 4.06 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 0.00 143 R 8.41 4.47 0.00 1.68 1.82 0.00 3.24 0.00 0.00 3.11 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 144 L 8.99 4.30 0.00 1.68 1.70 0.93 0.35 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 0.00 145 A 7.78 4.78 1.22 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 0.00 0.00 146 C 7.98 5.80 0.00 2.99 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 0.00 147 G 7.99 4.48 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 0.00 0.00 0.00 148 V 8.51 4.22 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 0.76 0.00 0.00 0.94 0.00 0.00 149 I 9.45 3.95 1.78 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.51 0.41 0.00 0.00 150 G 8.81 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 0.00 0.00 0.00 0.00 151 I 8.13 4.50 1.85 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 1.24 0.55 0.90 0.00 0.00 152 A 8.43 4.53 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 0.00 153 Q 8.41 4.07 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.60 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.