NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3409 8.1593 117.3760 63.1072 70.8062 174.0731 2 P 4.2810 0.0000 0.0000 62.6179 31.9325 174.6326 3 Q 4.5463 8.3786 117.3830 55.8293 31.1551 176.0881 4 N 5.0493 7.5578 114.5345 49.7935 40.7815 174.8968 5 I 3.5837 8.3878 118.0074 64.8334 37.6503 177.6542 6 T 3.8809 8.2889 116.8476 66.2575 68.1069 176.0634 7 D 4.3736 8.2077 120.1480 57.7289 40.8199 178.5382 8 L 4.0782 8.0894 120.5560 58.4434 41.6026 178.2329 9 C 4.3092 8.3052 118.1217 59.1023 43.3519 174.4452 10 A 4.3396 7.9607 119.6839 52.6581 18.0537 177.8414 11 E 4.4728 7.5766 115.8485 55.5866 30.1685 174.2272 12 Y 4.1185 7.2648 118.4321 55.8392 42.2625 173.6617 13 H 5.0002 8.9797 118.1919 55.2594 30.8105 174.6269 14 N 4.4158 8.9538 118.6420 55.1715 35.5167 173.6909 15 T 5.8277 8.2147 106.1838 59.1268 72.1578 173.5945 16 Q 4.5875 8.2306 120.2400 54.7513 32.2531 173.7200 17 I 4.5052 8.3420 122.8878 61.1879 38.7243 174.7917 18 H 4.8060 9.4534 123.3846 54.3026 31.7789 172.7693 19 T 4.6564 8.5333 120.2253 62.6835 68.9823 174.0388 20 L 4.2838 9.2552 126.6709 54.3855 44.2264 177.1457 21 N 4.1538 7.8930 113.5212 53.3174 36.2879 172.2292 22 D 4.6908 8.0861 115.5276 53.1376 45.1804 173.9408 23 K 4.9365 8.3152 120.7424 54.9032 33.8867 176.8396 24 I 2.9867 8.0968 121.5820 61.5683 37.6203 176.0475 25 F 4.8016 9.0448 128.4758 60.6345 40.1588 175.6832 26 S 4.3302 7.7162 110.9716 56.6290 66.6912 172.3008 27 Y 4.8010 7.7642 121.2931 56.0407 41.5832 174.4443 28 T 4.3554 8.0525 122.3434 61.4683 72.0361 172.4423 29 E 4.8736 8.4666 126.3827 54.2292 32.7708 174.7523 30 S 4.6877 8.7972 120.6622 56.5421 65.3946 173.9760 31 L 4.3425 8.6923 125.6713 55.1843 41.3618 176.0186 32 A 3.9608 8.2338 123.4128 53.3567 17.8263 176.5927 33 G 4.1670 8.0284 111.8072 46.2185 0.0000 174.2946 *34 K 4.0192 8.9197 126.2847 55.6975 30.5373 173.8394 *35 D 5.0361 7.7150 115.6679 53.9540 41.4483 182.2564 36 E 5.3077 8.3854 121.7681 56.4189 28.0214 175.7317 37 M 5.1442 8.2162 120.1614 52.9456 35.7939 174.5110 38 A 4.9932 8.4451 120.7918 50.2526 22.2249 174.9872 39 I 5.0909 8.4078 123.5845 59.4799 40.6237 175.0423 40 I 5.0336 8.8137 119.8269 59.5014 41.1044 174.5170 41 T 5.3734 8.3978 117.7935 62.1583 73.2545 173.1013 42 F 5.0317 9.0632 121.9765 55.2477 42.2911 176.6205 43 K 3.3515 8.2584 120.7654 59.5427 31.8575 177.5513 44 N 4.4520 8.0783 113.8191 53.3726 37.6059 175.1477 45 G 4.0200 8.2122 106.9995 45.4087 0.0000 174.2688 46 A 3.9345 8.2536 121.7977 53.0690 19.1389 176.5306 47 T 5.1532 8.0944 118.6672 61.8835 71.4578 173.5222 48 F 5.2142 9.1660 122.7640 56.2284 44.3637 173.0834 49 Q 5.1354 9.0531 116.8348 55.2622 32.6757 173.4269 50 V 4.6718 8.1437 119.6501 60.7277 33.2407 175.2614 51 E 4.0083 9.0438 127.8328 56.3282 29.7455 177.1928 52 V 3.7168 8.3005 123.6648 62.2210 32.3289 175.1561 53 P 4.4637 0.0000 0.0000 63.4477 31.1365 175.4616 54 G 4.3181 8.2599 106.5895 44.9650 0.0000 173.4827 55 S 4.3754 7.9998 114.8067 59.7597 63.0741 175.7855 56 Q 3.9533 7.9156 121.7732 58.7450 29.0478 175.7011 57 H 5.2304 7.6851 114.0551 53.5138 29.5064 175.3188 58 I 3.9715 8.3873 117.9851 60.5251 38.3998 176.5390 59 D 4.3978 8.7136 120.4959 57.6050 40.5155 179.3090 60 S 4.2206 8.0403 114.2211 61.3784 63.2366 176.3916 61 Q 4.0828 8.2405 121.8207 58.5131 28.4221 178.5236 62 K 4.0244 7.9045 119.3348 59.2522 32.0225 179.3888 63 K 3.9878 7.9230 118.2248 59.3995 31.9475 179.3564 64 A 4.0204 8.0050 120.8492 54.9954 18.3259 179.8561 65 I 3.7022 7.6723 118.6325 64.5656 37.2905 178.4708 66 E 3.9981 8.2774 119.5400 59.3246 29.3127 179.3169 67 R 3.8903 8.3286 119.1440 59.7276 30.1478 178.2193 68 M 4.0766 8.4075 118.2249 58.5910 32.1710 178.4045 69 K 4.1176 7.9572 118.3575 59.3613 32.1304 179.0955 70 D 4.3532 8.0725 118.9658 57.6784 40.7959 178.8001 71 T 3.8551 7.9825 116.1560 66.8057 68.5202 176.6307 72 L 4.0491 7.9772 120.7639 57.6070 41.6369 179.5598 73 R 3.1385 7.9639 118.8679 59.2563 30.0286 178.6720 74 I 3.6475 8.0015 112.9889 63.8909 37.4802 177.8501 75 A 3.9517 8.1003 122.5389 55.0334 18.0566 179.0837 76 Y 3.8737 7.7771 117.4591 60.8698 38.7423 177.9638 77 L 3.7048 7.6877 118.7341 57.1342 41.7755 178.6291 78 T 4.1916 7.9215 107.3204 60.4568 69.6554 174.2114 79 E 3.6025 7.5809 119.7220 57.4300 27.2357 174.5615 80 A 4.2763 7.8179 119.4098 51.7439 19.8748 177.9935 81 K 4.6683 8.5795 120.0714 56.1636 33.7484 176.3682 82 V 4.0238 9.0996 119.5353 60.5272 32.9419 175.7194 83 E 4.4115 9.4902 128.5427 57.1412 29.7113 175.5768 84 K 5.1085 8.7321 117.3298 54.5601 36.9883 174.6784 85 L 5.0296 8.8524 121.9400 53.0382 45.4734 174.6805 86 C 5.0381 8.7632 123.5894 55.0819 46.1829 172.8817 87 V 4.8659 8.2266 118.8211 59.0951 35.6989 175.1664 88 W 5.1123 9.3364 123.9308 56.2730 29.1870 176.8803 89 N 4.6528 9.6216 123.8504 53.9327 37.7149 176.4486 90 N 4.4834 8.5403 116.1980 53.8799 37.8820 174.2750 91 K 4.7119 7.5206 117.5226 55.0071 35.4486 175.6660 92 T 4.4759 8.0906 115.9215 61.2827 71.3745 172.5626 93 P 4.4092 0.0000 0.0000 62.4255 32.7769 175.9526 94 H 4.5526 8.6116 117.5079 56.8774 29.9996 174.0425 95 A 5.1432 8.7421 124.5389 51.0585 20.1986 176.7742 96 I 3.9838 8.8735 124.5811 61.6269 37.1391 175.8509 97 A 4.1693 8.9915 128.3647 52.8086 21.0347 176.3105 98 A 4.5815 7.3087 114.2515 51.0623 22.8743 175.2188 99 I 5.1011 8.1167 118.6590 59.2890 41.4953 174.3175 100 S 4.8649 8.9321 122.8219 56.7370 65.8120 172.6269 101 M 5.1176 8.6425 121.7349 53.4890 34.7997 175.0698 102 A 4.6492 8.2086 124.9335 50.2089 22.5539 175.8724 103 N 4.4417 8.8596 119.4429 53.2322 37.3788 174.9393 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 T 8.16 4.34 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 1.21 0.00 0.00 2 P 0.00 4.28 0.00 2.31 2.05 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 3 Q 8.38 4.55 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.84 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 4 N 7.56 5.05 0.00 2.86 2.85 0.00 0.00 5.85 7.65 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 5 I 8.39 3.58 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 1.57 1.26 0.87 0.00 0.00 6 T 8.29 3.88 4.45 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 1.19 0.00 0.00 7 D 8.21 4.37 0.00 2.61 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 8 L 8.09 4.08 0.00 1.94 1.80 0.91 0.98 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 C 8.31 4.31 0.00 3.25 3.15 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 10 A 7.96 4.34 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 11 E 7.58 4.47 0.00 2.14 1.97 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 2.24 2.48 0.00 12 Y 7.26 4.12 0.00 3.03 2.99 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 0.00 0.00 0.00 0.00 13 H 8.98 5.00 0.00 3.33 3.28 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.95 4.42 0.00 3.29 3.24 0.00 0.00 6.61 7.05 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 15 T 8.21 5.83 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 1.09 0.00 0.00 16 Q 8.23 4.59 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.10 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 17 I 8.34 4.51 1.82 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 1.29 0.78 0.86 0.00 0.00 18 H 9.45 4.81 0.00 2.89 3.07 0.00 5.60 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.53 4.66 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 1.18 0.00 0.00 20 L 9.26 4.28 0.00 1.06 1.19 0.22 0.39 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 21 N 7.89 4.15 0.00 2.79 2.83 0.00 0.00 6.61 8.06 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 22 D 8.09 4.69 0.00 2.92 2.70 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 23 K 8.32 4.94 0.00 1.94 1.84 0.00 1.25 0.00 0.00 1.25 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.53 7.81 24 I 8.10 2.99 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.49 0.81 0.00 0.00 25 F 9.04 4.80 0.00 3.04 3.23 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 26 S 7.72 4.33 0.00 3.63 3.52 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 27 Y 7.76 4.80 0.00 2.18 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 0.00 0.00 0.00 0.00 28 T 8.05 4.36 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 1.06 0.00 0.00 29 E 8.47 4.87 0.00 1.66 1.70 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 2.15 2.25 0.00 30 S 8.80 4.69 0.00 3.83 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 31 L 8.69 4.34 0.00 1.78 1.74 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.23 3.96 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 33 G 8.03 4.17 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 0.00 *34 K 8.92 4.02 0.00 1.99 1.84 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.27 1.24 7.81 *35 D 7.72 5.04 0.00 2.67 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 36 E 8.39 5.31 0.00 1.96 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 2.40 2.20 0.00 37 M 8.22 5.14 0.00 2.03 2.10 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 2.48 2.69 0.00 38 A 8.45 4.99 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 39 I 8.41 5.09 1.76 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 1.27 0.97 0.88 0.00 0.00 40 I 8.81 5.03 1.82 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.24 1.04 0.00 0.00 41 T 8.40 5.37 4.30 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 1.45 0.00 0.00 42 F 9.06 5.03 0.00 3.16 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 43 K 8.26 3.35 0.00 1.70 1.83 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.26 0.93 7.81 44 N 8.08 4.45 0.00 2.88 2.94 0.00 0.00 6.24 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 45 G 8.21 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 46 A 8.25 3.93 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 47 T 8.09 5.15 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 1.21 0.00 0.00 48 F 9.17 5.21 0.00 3.13 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 49 Q 9.05 5.14 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 50 V 8.14 4.67 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 0.86 0.00 0.00 1.01 0.00 0.00 51 E 9.04 4.01 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 52 V 8.30 3.72 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 0.86 0.00 0.00 1.01 0.00 0.00 53 P 0.00 4.46 0.00 2.09 2.04 0.00 3.82 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 2.03 2.08 0.00 54 G 8.26 4.32 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 0.00 55 S 8.00 4.38 0.00 3.86 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 56 Q 7.92 3.95 0.00 1.87 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.86 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 57 H 7.69 5.23 0.00 3.18 3.20 0.00 5.87 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.39 3.97 1.89 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 1.51 0.82 0.92 0.00 0.00 59 D 8.71 4.40 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 60 S 8.04 4.22 0.00 4.06 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 61 Q 8.24 4.08 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 62 K 7.90 4.02 0.00 2.01 1.86 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.53 1.55 7.81 63 K 7.92 3.99 0.00 2.02 1.86 0.00 1.56 0.00 0.00 1.90 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.50 7.81 64 A 8.01 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 65 I 7.67 3.70 2.06 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.24 0.94 0.00 0.00 66 E 8.28 4.00 0.00 2.14 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 2.58 2.47 0.00 67 R 8.33 3.89 0.00 1.86 2.10 0.00 3.11 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 68 M 8.41 4.08 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.68 0.00 69 K 7.96 4.12 0.00 2.07 1.93 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.82 7.81 70 D 8.07 4.35 0.00 2.88 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 71 T 7.98 3.86 4.42 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 1.22 0.00 0.00 72 L 7.98 4.05 0.00 1.98 1.85 1.04 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.96 3.14 0.00 1.58 1.91 0.00 3.03 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.08 0.00 74 I 8.00 3.65 1.83 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 1.42 1.11 0.87 0.00 0.00 75 A 8.10 3.95 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 76 Y 7.78 3.87 0.00 3.06 2.96 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 77 L 7.69 3.70 0.00 1.68 1.60 0.91 0.60 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 78 T 7.92 4.19 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 1.16 0.00 0.00 79 E 7.58 3.60 0.00 2.03 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 2.10 2.01 0.00 80 A 7.82 4.28 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 81 K 8.58 4.67 0.00 1.79 1.78 0.00 1.58 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.54 1.58 7.81 82 V 9.10 4.02 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 1.08 0.00 0.00 1.05 0.00 0.00 83 E 9.49 4.41 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 84 K 8.73 5.11 0.00 1.66 1.56 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 1.33 7.81 85 L 8.85 5.03 0.00 1.18 1.20 -0.18 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.76 5.04 0.00 2.88 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 87 V 8.23 4.87 2.33 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 0.81 0.00 0.00 1.07 0.00 0.00 88 W 9.34 5.11 0.00 3.52 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 89 N 9.62 4.65 0.00 2.77 2.96 0.00 0.00 6.34 6.50 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 90 N 8.54 4.48 0.00 2.91 3.06 0.00 0.00 5.88 7.13 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 91 K 7.52 4.71 0.00 1.74 1.81 0.00 1.58 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.43 7.81 92 T 8.09 4.48 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 1.17 0.00 0.00 93 P 0.00 4.41 0.00 2.07 1.93 0.00 3.77 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 1.99 1.97 0.00 94 H 8.61 4.55 0.00 3.31 3.54 0.00 5.62 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 95 A 8.74 5.14 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 96 I 8.87 3.98 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.73 0.91 0.00 0.00 97 A 8.99 4.17 0.20 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 98 A 7.31 4.58 1.10 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 99 I 8.12 5.10 1.84 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 1.39 0.93 0.90 0.00 0.00 100 S 8.93 4.86 0.00 3.88 3.88 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 0.00 101 M 8.64 5.12 0.00 1.88 1.98 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 2.48 2.51 0.00 102 A 8.21 4.65 1.15 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 0.00 103 N 8.86 4.44 0.00 2.82 2.82 0.00 0.00 6.11 7.56 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 * Residues marked with a * may have inaccurate shift predictions.