NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3449 8.3149 120.1414 55.4338 33.8312 175.5413 2 P 4.3361 0.0000 0.0000 61.6830 32.1447 176.3483 3 G 3.7083 9.0955 109.3771 47.5826 0.0000 175.3292 4 A 4.0201 8.1588 122.0061 55.9303 18.2190 179.1690 5 M 3.9371 7.7232 115.3128 57.5564 31.9641 176.7809 6 Y 4.8291 8.2501 113.9142 57.0514 40.4341 177.1110 7 R 4.2977 7.9341 116.6942 57.7038 29.9615 176.2441 8 N 4.9417 7.3505 116.5111 52.7041 39.6806 175.1342 9 S 4.7941 8.2736 116.5388 58.5356 63.3558 175.2770 10 S 4.4371 8.0407 113.9822 58.8229 63.8187 173.9975 11 K 4.5616 7.5511 120.1941 53.9674 33.8686 174.3320 12 P 4.4165 0.0000 0.0000 62.2879 31.8759 176.3951 13 A 4.3167 8.4989 123.7594 52.7130 18.8438 177.4836 14 Y 4.8817 8.7888 123.6895 55.6724 38.9840 175.0250 15 T 4.5335 7.9808 110.3757 60.2811 70.6553 175.8206 16 R 4.2567 7.6538 122.0819 55.9849 28.3471 177.1023 17 R 3.9641 8.1808 121.6160 57.7630 30.3077 177.8900 18 E 3.9509 7.7135 114.9457 57.7599 29.9679 176.6767 19 Y 4.8422 7.8160 115.1654 57.3927 39.5053 175.1590 20 I 4.6341 7.5686 120.8366 59.3074 40.1439 174.7299 21 S 4.7387 8.5021 118.7506 57.4455 65.7697 173.2998 22 G 3.8105 8.7140 106.6678 46.6068 0.0000 173.6724 23 I 3.9699 7.7630 120.6628 59.5603 37.6227 174.6066 24 P 4.3463 0.0000 0.0000 62.4147 31.8095 176.6140 25 G 3.7922 8.2968 110.0093 45.0229 0.0000 173.4028 26 K 4.1868 8.3008 121.4967 56.0726 32.8197 177.1569 27 K 4.3288 8.7149 122.6725 56.7888 32.7897 177.1419 28 I 3.9469 7.6250 120.6643 61.3244 37.4073 175.7224 29 A 4.1732 9.7071 130.1537 54.8590 18.4722 177.2348 30 Q 4.8045 7.5186 110.9067 54.9358 33.2100 174.2561 31 F 4.5088 8.9972 116.2199 57.3473 42.2460 174.8503 32 D 5.5440 8.4103 118.1446 52.8038 42.8606 175.5466 33 M 4.8096 9.2531 122.6218 53.8611 36.3878 176.4778 34 G 3.2655 8.8178 106.9164 46.7249 0.0000 176.9007 35 N 4.6246 8.5261 114.2653 51.9355 36.8578 175.2840 36 N 4.6879 8.0927 115.7943 53.7913 38.3148 177.5557 37 G 3.6107 8.0351 108.1781 47.9846 0.0000 174.1007 38 A 4.4513 7.6542 121.2900 50.9120 20.0693 176.6422 39 G 4.0790 8.0852 108.4162 43.0368 0.0000 172.0407 40 P 4.2625 0.0000 0.0000 62.5662 29.6097 176.8680 41 T 4.6627 7.9441 115.7972 61.3507 69.4867 174.4238 42 Y 4.7809 7.8987 117.5499 56.7101 41.0597 174.9552 43 P 4.3961 0.0000 0.0000 65.3227 31.9572 176.7571 44 A 5.6763 8.1321 119.5679 49.8426 21.8464 176.0739 45 Q 4.4579 8.4661 121.1299 53.8083 31.7155 173.6693 46 V 4.8605 8.1368 126.3541 61.6253 34.1993 174.2041 47 E 4.9467 10.1951 124.7066 54.4843 34.4328 174.2469 48 L 4.2681 7.6456 124.6072 53.3894 43.8658 175.0919 49 V 4.7693 8.6871 127.4014 60.8950 33.3547 174.9563 50 V 3.9501 8.4585 128.6784 63.0165 32.3859 175.8194 51 E 4.6515 8.4649 125.7121 56.0626 30.0993 176.0840 52 K 4.5399 7.5274 117.7288 54.3202 36.1846 173.6991 53 P 4.6333 0.0000 0.0000 63.0411 31.9595 175.9700 54 V 4.5763 8.7389 116.3121 60.7292 36.7929 172.6631 55 Q 5.0367 8.9255 120.5496 54.3663 31.4111 175.2373 56 I 4.6859 8.7798 124.5722 59.2365 40.0630 175.7003 57 R 4.4629 8.6221 126.9210 56.0019 30.8097 177.5942 58 H 4.1942 8.9544 118.0166 58.7490 28.1208 177.4376 59 N 4.1019 7.9733 119.0883 56.3620 38.4461 176.7516 60 A 4.0212 7.8693 121.4010 55.0401 18.5114 179.3628 61 L 3.8553 7.8456 117.5384 58.0376 41.6944 179.2319 62 E 3.8386 8.1277 118.7369 59.3458 29.5334 178.7997 63 A 3.9730 8.0792 120.4511 55.0212 18.3222 179.4854 64 A 3.9772 8.7024 119.6793 55.2451 18.4637 179.8322 65 R 3.8342 8.7604 117.4985 59.6081 30.1849 178.4926 66 V 3.5608 8.1442 118.1221 66.3561 31.2888 177.5614 67 A 3.7341 7.9681 118.7737 55.2245 18.3530 179.2417 68 A 4.3729 7.6368 120.3442 54.5134 18.5381 179.3202 69 N 3.9549 8.5704 115.7750 56.7527 38.8849 176.9755 70 R 3.6892 8.5071 119.7272 59.4903 30.2684 177.2776 71 Y 4.2621 7.4612 118.9856 59.5541 38.4301 177.2545 72 V 3.3986 7.3824 116.8524 62.4017 31.7233 176.5945 73 Q 4.3990 7.5296 119.8335 56.0677 27.7591 175.3091 74 N 4.7217 7.3583 112.4601 53.0610 40.7376 174.0426 75 S 4.4945 7.6265 110.7886 58.0691 65.3912 174.8850 76 G 4.0147 8.3092 107.3351 44.5711 0.0000 174.2126 77 A 3.9311 8.6674 123.8776 54.4934 18.3282 178.5786 78 A 4.6556 7.6738 116.5015 51.4766 19.6390 176.2407 79 A 4.1631 7.9048 122.4709 54.0645 18.9253 178.8569 80 N 4.7311 8.3544 119.0069 52.2611 37.7869 173.4156 81 Y 4.8499 7.1146 120.3542 55.8986 41.1583 172.7074 82 K 5.0409 8.2330 119.1497 55.1718 36.2036 174.6124 83 F 5.9427 9.3289 125.9014 56.6851 42.2137 174.0446 84 R 5.2076 9.4112 124.6399 54.4988 34.0169 174.1488 85 I 4.5403 8.3324 124.7955 59.2764 38.1675 175.4140 86 R 4.3864 8.6207 126.7784 57.4765 29.9352 176.9653 87 K 4.7382 7.7999 118.9789 55.0471 33.9832 175.5933 88 F 4.6962 8.4178 119.2586 54.8665 42.1277 174.7415 89 P 4.6852 0.0000 0.0000 63.0944 28.8718 175.6283 90 F 4.4255 8.1158 125.4611 60.7314 39.8841 175.6952 91 H 4.6232 8.3975 121.9990 55.9522 30.4079 175.0026 92 V 4.4034 8.6328 127.6183 62.6673 32.2829 175.1894 93 I 4.6936 8.9275 120.9226 59.2855 40.4898 174.9164 94 R 5.3652 8.4568 122.8596 54.1293 33.4816 174.7059 95 E 4.5349 8.2026 119.2370 55.4298 33.4322 174.0947 96 N 5.1733 8.8643 126.6542 52.1943 37.9904 173.8534 97 K 4.4218 7.6939 125.3293 54.5174 31.9243 176.0821 *109 D 4.4344 7.6879 120.0021 54.8268 43.5751 171.9103 110 G 4.1215 8.7412 117.7527 45.9639 0.0000 173.1525 111 M 4.3870 8.8895 119.8547 54.6829 33.5424 176.3109 112 R 3.9098 7.9064 119.5674 57.3732 31.4587 176.1965 113 A 3.8000 8.4175 126.1673 52.8885 15.7039 174.9554 114 P 5.0444 0.0000 0.0000 61.6770 32.5926 176.6016 115 F 3.8616 8.3348 121.9971 58.7158 39.1495 174.6952 116 G 3.9419 8.0487 115.6342 46.1900 0.0000 171.5848 117 K 4.8761 8.4794 118.5598 54.0065 35.5091 174.2508 118 P 4.7366 0.0000 0.0000 63.7410 31.2148 176.4233 119 V 4.3069 8.8425 116.3767 60.5192 34.0644 175.7872 120 G 3.8629 7.0550 106.8203 45.8602 0.0000 171.4528 121 T 5.2366 7.3981 107.2111 60.2344 72.7021 172.6115 122 A 5.1557 9.2137 123.2155 50.7025 23.6917 174.5625 123 A 4.9897 9.2605 121.2834 50.2525 21.7830 176.0802 124 R 4.8066 8.6853 121.4694 55.1735 31.3738 176.0364 125 V 4.4503 8.7348 124.5572 61.3537 34.5411 174.2838 126 H 4.8456 8.7554 124.2438 53.6914 30.4075 174.7908 127 G 3.9095 8.5047 111.0570 47.7781 0.0000 173.5100 128 A 3.9082 9.8723 127.1980 51.5671 18.0811 178.0023 129 N 4.8050 8.0481 113.5202 52.8497 40.3853 173.6912 130 H 5.1341 8.2231 116.6072 54.4697 29.8412 174.5594 131 I 3.8586 8.3762 123.1658 62.3026 39.3762 175.2655 132 F 5.3746 7.5600 118.7694 55.6558 43.0797 174.6818 133 I 5.0274 8.9611 121.8971 59.9958 41.1023 174.1513 134 A 5.4063 9.3890 128.6179 49.9402 22.7963 175.0735 135 W 5.2341 8.8911 118.6099 54.9375 32.7607 175.1515 136 V 4.9015 8.6997 123.7391 60.0051 34.8111 174.8091 137 N 5.0205 8.9322 118.8774 51.7124 40.1039 172.5708 138 P 4.3838 0.0000 0.0000 62.4969 30.9126 176.4673 139 D 4.5854 7.5877 123.7892 52.6082 42.2929 176.6980 140 P 4.5051 0.0000 0.0000 63.0791 29.2986 176.9296 141 N 4.6637 7.7900 117.9186 53.7291 39.6252 176.7663 142 V 3.1048 7.2132 120.9619 64.4298 31.5343 178.0118 143 E 3.9211 7.8723 118.5905 58.7519 28.7363 178.3067 144 E 4.0934 7.8277 118.3865 58.1945 29.8280 177.8926 145 A 3.9096 7.5566 120.3136 54.3243 18.2620 179.2387 146 W 4.6723 7.8598 117.0008 59.1691 29.2735 178.6947 147 R 3.9335 7.5349 116.7502 59.4371 29.8439 178.3523 148 R 4.0834 7.7558 116.6694 58.2901 30.1331 178.7836 149 A 4.1094 7.8545 121.8399 54.9732 18.7139 178.8537 150 K 4.2531 8.1075 111.6266 57.8222 32.6580 177.4700 151 M 4.1839 7.5368 119.3297 57.3097 32.4100 176.8527 152 K 4.5991 7.9019 116.1733 55.8020 32.6383 176.0011 153 V 4.5542 7.3587 111.0886 59.4737 35.1080 175.6580 154 T 4.0037 8.8543 120.2727 66.3245 68.3549 173.3018 155 P 4.5004 0.0000 0.0000 62.5921 32.4222 175.7011 156 T 4.3689 8.0934 115.3414 63.6072 69.8435 173.8639 157 I 5.0691 8.1047 123.2920 59.7390 42.0369 173.8565 158 N 4.8955 9.0376 122.7553 52.0025 41.1378 173.4079 159 I 4.6445 8.4663 127.5336 60.4850 37.9277 174.4762 160 D 4.9992 9.5870 128.1641 52.3291 43.8080 174.5017 161 S 4.6913 8.7450 120.1645 58.3113 63.7472 171.5480 162 S 4.3020 9.4444 124.6582 59.3594 63.0785 173.5650 163 P 4.4040 0.0000 0.0000 63.7299 32.1938 175.2167 164 A 4.6030 8.0791 123.8079 52.1265 19.9786 175.6436 165 G 4.0926 8.4560 109.5208 45.4531 0.0000 172.4865 166 N 4.7078 7.9724 116.2004 51.6430 37.7054 175.1265 167 A 4.3015 7.5936 124.4419 52.3102 19.2206 177.4101 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 K 8.31 4.34 0.00 1.89 1.93 0.00 2.00 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.54 7.81 2 P 0.00 4.34 0.00 2.26 1.97 0.00 3.62 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 2.11 2.15 0.00 3 G 9.10 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 0.00 0.00 0.00 4 A 8.16 4.02 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 5 M 7.72 3.94 0.00 1.10 1.88 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.37 0.00 6 Y 8.25 4.83 0.00 3.00 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 7 R 7.93 4.30 0.00 2.00 2.22 0.00 3.12 0.00 0.00 3.41 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 8 N 7.35 4.94 0.00 2.80 2.77 0.00 0.00 6.90 7.45 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 9 S 8.27 4.79 0.00 3.82 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 10 S 8.04 4.44 0.00 3.97 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 11 K 7.55 4.56 0.00 1.84 1.80 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.45 7.81 12 P 0.00 4.42 0.00 2.12 2.05 0.00 3.70 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 2.06 2.12 0.00 13 A 8.50 4.32 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.79 4.88 0.00 2.95 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 15 T 7.98 4.53 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 1.38 0.00 0.00 16 R 7.65 4.26 0.00 2.06 2.07 0.00 3.30 0.00 0.00 3.37 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.78 0.00 17 R 8.18 3.96 0.00 1.73 1.93 0.00 3.19 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 18 E 7.71 3.95 0.00 1.43 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 1.51 1.47 0.00 19 Y 7.82 4.84 0.00 2.92 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 20 I 7.57 4.63 1.75 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.60 0.90 0.00 0.00 21 S 8.50 4.74 0.00 3.94 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 22 G 8.71 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 23 I 7.76 3.97 1.86 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 1.40 0.57 0.88 0.00 0.00 24 P 0.00 4.35 0.00 2.00 1.99 0.00 3.65 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 2.13 2.09 0.00 25 G 8.30 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 26 K 8.30 4.19 0.00 1.74 1.77 0.00 1.88 0.00 0.00 1.78 0.00 0.00 3.13 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.60 1.53 7.81 27 K 8.71 4.33 0.00 1.72 1.81 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.48 7.81 28 I 7.62 3.95 1.86 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.44 0.18 0.00 0.00 29 A 9.71 4.17 1.28 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 30 Q 7.52 4.80 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 31 F 9.00 4.51 0.00 3.06 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 32 D 8.41 5.54 0.00 2.65 2.69 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 33 M 9.25 4.81 0.00 2.17 2.42 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.75 0.00 34 G 8.82 3.27 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 35 N 8.53 4.62 0.00 2.77 2.79 0.00 0.00 7.17 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 36 N 8.09 4.69 0.00 2.86 2.99 0.00 0.00 6.33 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 37 G 8.04 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 38 A 7.65 4.45 1.28 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 39 G 8.09 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 0.00 0.00 0.00 40 P 0.00 4.26 0.00 1.57 0.58 0.00 3.37 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.86 0.00 41 T 7.94 4.66 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 42 Y 7.90 4.78 0.00 3.12 3.24 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 43 P 0.00 4.40 0.00 2.13 2.17 0.00 4.03 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 44 A 8.13 5.68 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 45 Q 8.47 4.46 0.00 2.39 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.81 0.00 0.00 0.00 0.00 0.00 2.04 1.42 0.00 46 V 8.14 4.86 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 1.36 0.00 0.00 0.87 0.00 0.00 47 E 10.20 4.95 0.00 1.60 1.66 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 0.00 2.06 2.32 0.00 48 L 7.65 4.27 0.00 0.27 0.95 0.76 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.69 4.77 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 1.02 0.00 0.00 0.90 0.00 0.00 50 V 8.46 3.95 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 0.86 0.00 0.00 0.85 0.00 0.00 51 E 8.46 4.65 0.00 2.03 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 0.00 2.26 2.25 0.00 52 K 7.53 4.54 0.00 1.67 1.63 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.44 7.81 53 P 0.00 4.63 0.00 1.82 1.65 0.00 3.65 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 1.98 2.18 0.00 54 V 8.74 4.58 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 0.70 0.00 0.00 0.94 0.00 0.00 55 Q 8.93 5.04 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 56 I 8.78 4.69 1.83 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 1.20 1.00 0.86 0.00 0.00 57 R 8.62 4.46 0.00 1.85 1.82 0.00 2.90 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 58 H 8.95 4.19 0.00 3.34 3.52 0.00 5.27 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 7.97 4.10 0.00 2.73 2.82 0.00 0.00 7.04 7.45 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 60 A 7.87 4.02 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 61 L 7.85 3.86 0.00 1.80 1.59 0.75 0.85 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 62 E 8.13 3.84 0.00 2.04 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 2.36 0.00 63 A 8.08 3.97 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 64 A 8.70 3.98 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.76 3.83 0.00 2.15 1.98 0.00 3.18 0.00 0.00 3.04 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.81 0.00 66 V 8.14 3.56 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 0.97 0.00 0.00 1.01 0.00 0.00 67 A 7.97 3.73 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 68 A 7.64 4.37 1.52 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 69 N 8.57 3.95 0.00 2.99 2.90 0.00 0.00 6.95 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 70 R 8.51 3.69 0.00 1.89 2.04 0.00 3.33 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 71 Y 7.46 4.26 0.00 2.93 3.07 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 0.00 0.00 0.00 0.00 72 V 7.38 3.40 1.57 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 0.29 0.00 0.00 -0.20 0.00 0.00 73 Q 7.53 4.40 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 74 N 7.36 4.72 0.00 1.96 2.32 0.00 0.00 7.08 7.63 0.00 0.00 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 S 7.63 4.49 0.00 3.94 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 76 G 8.31 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 77 A 8.67 3.93 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 78 A 7.67 4.66 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 79 A 7.90 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.35 4.73 0.00 2.76 2.89 0.00 0.00 6.86 7.54 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 81 Y 7.11 4.85 0.00 3.13 3.02 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 82 K 8.23 5.04 0.00 1.96 1.94 0.00 1.40 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.07 1.62 7.81 83 F 9.33 5.94 0.00 3.32 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 84 R 9.41 5.21 0.00 1.95 1.97 0.00 3.40 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.08 0.00 85 I 8.33 4.54 1.82 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.07 0.49 0.00 0.00 86 R 8.62 4.39 0.00 1.97 2.16 0.00 3.19 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.71 0.00 87 K 7.80 4.74 0.00 1.64 1.77 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.28 1.32 7.81 88 F 8.42 4.70 0.00 2.20 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 0.00 0.00 0.00 0.00 89 P 0.00 4.69 0.00 2.12 2.06 0.00 3.73 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 1.91 1.98 0.00 90 F 8.12 4.43 0.00 3.15 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 91 H 8.40 4.62 0.00 3.39 3.30 0.00 5.77 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.63 4.40 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 0.92 0.00 0.00 0.85 0.00 0.00 93 I 8.93 4.69 1.65 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.24 0.98 0.00 0.00 94 R 8.46 5.37 0.00 1.50 1.75 0.00 2.40 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.18 0.00 95 E 8.20 4.53 0.00 2.17 1.79 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 2.38 2.34 0.00 96 N 8.86 5.17 0.00 2.91 2.66 0.00 0.00 6.85 5.97 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 97 K 7.69 4.42 0.00 1.90 1.84 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.41 7.81 *109 D 7.69 4.43 0.00 2.70 2.66 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 0.00 0.00 0.00 0.00 110 G 8.74 4.12 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 0.00 111 M 8.89 4.39 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 112 R 7.91 3.91 0.00 1.78 1.83 0.00 3.35 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 113 A 8.42 3.80 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 0.00 114 P 0.00 5.04 0.00 2.20 2.29 0.00 3.45 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 115 F 8.33 3.86 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 0.00 116 G 8.05 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 0.00 117 K 8.48 4.88 0.00 1.88 1.96 0.00 1.36 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.41 7.81 118 P 0.00 4.74 0.00 2.12 2.11 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 119 V 8.84 4.31 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 0.88 0.00 0.00 120 G 7.06 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 0.00 121 T 7.40 5.24 4.37 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 1.15 0.00 0.00 122 A 9.21 5.16 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 0.00 123 A 9.26 4.99 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 0.00 124 R 8.69 4.81 0.00 1.77 1.92 0.00 3.12 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 125 V 8.73 4.45 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 1.00 0.00 0.00 0.88 0.00 0.00 126 H 8.76 4.85 0.00 3.28 3.20 0.00 5.89 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.50 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 0.00 128 A 9.87 3.91 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 0.00 129 N 8.05 4.81 0.00 2.72 2.66 0.00 0.00 6.54 7.44 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 0.00 130 H 8.22 5.13 0.00 3.16 3.17 0.00 5.52 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.38 3.86 1.62 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.94 0.63 0.00 0.00 132 F 7.56 5.37 0.00 2.36 2.42 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 0.00 133 I 8.96 5.03 1.60 0.00 0.00 0.63 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 0.84 -0.22 0.00 0.00 134 A 9.39 5.41 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 0.00 135 W 8.89 5.23 0.00 3.03 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 0.00 0.00 0.00 136 V 8.70 4.90 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 0.75 0.00 0.00 0.93 0.00 0.00 137 N 8.93 5.02 0.00 2.71 2.85 0.00 0.00 6.94 8.02 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 0.00 138 P 0.00 4.38 0.00 2.05 2.08 0.00 3.75 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 2.06 2.14 0.00 139 D 7.59 4.59 0.00 2.56 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 0.00 140 P 0.00 4.51 0.00 2.03 1.93 0.00 3.69 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 141 N 7.79 4.66 0.00 2.52 2.66 0.00 0.00 6.75 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 0.00 142 V 7.21 3.10 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 0.46 0.00 0.00 -0.41 0.00 0.00 143 E 7.87 3.92 0.00 1.95 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 2.44 2.37 0.00 144 E 7.83 4.09 0.00 2.02 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 0.00 2.12 1.81 0.00 145 A 7.56 3.91 1.08 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 0.00 0.00 146 W 7.86 4.67 0.00 3.51 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 0.00 147 R 7.53 3.93 0.00 1.84 2.00 0.00 3.21 0.00 0.00 3.32 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 148 R 7.76 4.08 0.00 2.00 1.88 0.00 2.77 0.00 0.00 3.01 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 149 A 7.85 4.11 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 0.00 150 K 8.11 4.25 0.00 1.87 1.93 0.00 1.65 0.00 0.00 1.96 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.52 7.81 151 M 7.54 4.18 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 152 K 7.90 4.60 0.00 1.80 1.78 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.37 7.81 153 V 7.36 4.55 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 0.76 0.00 0.00 0.93 0.00 0.00 154 T 8.85 4.00 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 0.00 155 P 0.00 4.50 0.00 2.15 2.03 0.00 3.62 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 1.95 1.95 0.00 156 T 8.09 4.37 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 1.24 0.00 0.00 157 I 8.10 5.07 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.74 0.85 0.00 0.00 158 N 9.04 4.90 0.00 2.86 2.63 0.00 0.00 7.53 7.40 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 0.00 159 I 8.47 4.64 1.96 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.77 1.16 0.00 0.00 160 D 9.59 5.00 0.00 2.66 2.48 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 0.00 161 S 8.75 4.69 0.00 3.94 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 0.00 162 S 9.44 4.30 0.00 3.93 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 P 0.00 4.40 0.00 2.32 2.13 0.00 3.78 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.20 0.00 164 A 8.08 4.60 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 0.00 165 G 8.46 4.09 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 0.00 166 N 7.97 4.71 0.00 2.74 2.81 0.00 0.00 7.00 7.35 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 0.00 167 A 7.59 4.30 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 * Residues marked with a * may have inaccurate shift predictions.