NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.5146 8.1749 117.3733 63.7050 70.2109 172.9785 2 T 4.5874 9.0693 121.5392 60.0805 72.1020 171.4504 3 I 5.1201 9.2571 120.8151 59.3385 41.3218 174.6009 4 V 4.6523 8.8911 116.5478 59.9899 36.6254 174.2754 5 G 4.5525 8.5228 108.0263 44.7637 0.0000 172.4049 6 V 4.5873 9.0765 123.4691 61.1910 35.0305 174.3600 7 K 4.5738 8.8349 127.7667 55.6882 33.3041 175.7514 8 F 5.1189 8.0504 116.7801 54.1957 41.1431 175.4481 9 N 4.2392 9.1592 117.7693 55.7587 36.5547 175.3198 10 N 4.9575 8.3798 114.6578 51.7138 40.5198 174.6347 11 G 3.5508 6.0925 103.8613 45.4638 0.0000 172.7715 12 V 4.8420 7.7736 119.9678 60.2143 34.4468 173.9016 13 V 4.7743 8.9742 121.8810 59.9399 34.5200 174.3926 14 I 5.1969 8.4044 115.1123 59.3844 40.7642 173.9305 15 A 4.8889 8.8442 123.9581 51.0414 23.1495 174.5224 16 A 5.0534 8.2028 118.6692 51.2065 22.2238 176.1080 17 D 4.7674 8.3736 120.2058 52.4854 42.0153 176.3506 18 T 4.7579 8.1939 105.8812 61.5136 70.2777 173.0096 19 R 4.6352 8.5030 122.4139 56.0467 31.4485 175.4845 20 S 4.8919 8.9465 120.4228 56.6447 65.3021 172.6609 21 T 5.0900 8.6286 116.1615 60.0448 72.1769 173.7065 22 Q 4.3087 8.9787 123.0404 53.9527 30.4558 176.1129 23 G 3.8181 8.7075 117.2083 46.3653 0.0000 171.3970 24 P 4.5722 0.0000 0.0000 62.7594 31.9413 175.7728 25 I 4.2051 7.4872 121.1042 59.9354 38.4271 175.3745 26 V 4.2040 8.1785 124.5861 61.7852 30.5396 175.3907 27 A 4.1419 8.4860 131.9917 54.3967 18.7877 177.4807 28 D 4.6573 7.7363 114.9914 52.8986 43.8892 175.6150 29 K 4.3087 8.7172 125.1399 57.7331 33.1836 176.3454 30 N 5.3079 8.5650 117.9792 51.9457 37.7874 173.0558 31 C 4.6561 8.4226 114.7289 58.0382 31.8898 174.1761 32 A 4.6800 8.4121 120.5131 50.3220 20.2654 176.2342 33 K 4.3111 8.7919 120.8909 56.7220 33.7295 175.9646 34 L 5.0550 7.7464 121.1597 53.6779 42.6684 175.5203 35 H 5.0121 9.8773 122.4747 53.8733 32.3038 173.0879 36 R 3.6331 7.9452 121.6207 54.8808 30.3764 175.9229 37 I 3.9151 8.4517 128.3231 63.1505 37.9844 175.7574 38 S 4.5931 7.2110 112.2068 55.7239 66.1717 172.5731 39 P 4.3052 0.0000 0.0000 65.4083 31.1432 177.8314 40 K 4.7672 8.1674 114.6686 55.9020 32.8775 174.9836 41 I 4.7844 7.9512 120.6385 59.6749 39.9397 174.5909 42 W 5.0755 9.2853 127.0458 54.8586 32.7338 174.5944 43 C 5.3703 10.0268 122.5890 57.6761 34.6420 172.3095 44 A 5.3215 9.3079 127.9771 50.2428 20.8982 175.7328 45 G 4.5732 9.0314 109.5821 44.3505 0.0000 172.1176 46 A 4.8981 9.6676 124.4046 49.4385 23.0298 176.0616 47 G 4.0854 9.0713 103.4746 44.8155 0.0000 176.8823 48 T 4.1888 9.8445 126.1270 62.3470 68.4684 174.8160 49 A 3.9971 9.0170 129.3034 55.5334 18.2199 178.8539 50 A 3.9662 8.0409 118.3152 55.3844 18.3301 179.5512 51 D 4.2157 7.9790 117.0767 57.6628 41.1696 178.7216 52 T 3.8296 8.0427 110.4820 64.8337 68.5988 176.0111 53 E 3.6160 8.2261 121.8879 58.8051 29.7339 178.6355 54 A 3.9550 8.2079 121.4216 55.1063 18.4303 180.0272 55 V 3.5171 8.1396 118.1749 65.2004 31.5056 178.8256 56 T 3.8267 7.7636 116.2471 66.4300 68.1595 176.7291 57 Q 3.9606 8.0822 120.0680 58.3990 28.7167 178.3044 58 L 3.8583 7.9435 121.4450 58.3915 42.2261 179.2244 59 I 3.7801 7.7590 119.8789 64.1523 36.9187 178.7178 60 G 3.5545 8.0120 106.7847 47.6105 0.0000 175.7232 61 S 4.0416 8.2137 115.5758 61.4455 62.4695 176.1405 62 N 4.3769 8.2662 119.0956 56.2630 38.0980 177.5940 63 I 3.7167 8.3884 121.8188 64.0635 37.1452 178.0177 64 E 3.9107 8.3596 120.3229 59.3679 29.5467 178.8512 65 L 4.0229 8.0032 118.9958 58.0865 41.5582 179.0835 66 H 4.1475 8.5063 118.3199 59.1516 29.8673 177.1568 67 S 4.2190 8.4401 115.3078 61.6091 62.0009 176.2718 68 L 4.0309 7.8880 120.3213 57.9480 41.4152 178.5931 69 Y 4.1016 8.0548 118.9987 60.0860 38.8760 176.9257 70 T 4.3685 8.1975 108.0429 60.6377 69.6040 174.5812 71 S 3.7762 7.9426 116.4312 59.8259 61.1363 172.0108 72 R 4.7774 7.7113 115.7959 53.9835 33.8362 175.1713 73 E 4.2223 8.5228 119.0432 55.4252 30.1716 175.6457 74 P 4.4350 0.0000 0.0000 62.7651 32.2710 175.9205 75 R 4.8059 8.1765 119.9585 54.2334 32.6099 177.3890 76 V 3.5859 9.1474 122.0458 66.4580 31.4820 179.0451 77 V 3.6410 7.7975 111.0980 64.0016 31.2308 178.6015 78 S 4.0878 8.1619 115.3455 61.3130 62.7293 176.2515 79 A 3.9390 7.9013 122.9952 55.0616 18.1450 179.2625 80 L 3.8732 8.1541 119.0248 58.3586 42.2340 179.0624 81 Q 3.9675 8.0963 119.5820 59.3437 28.8902 178.0094 82 M 4.0887 8.2923 120.0276 58.2003 31.9057 178.7870 83 L 4.0128 8.2263 119.6972 57.6413 41.8520 179.6927 84 K 4.0314 8.1899 118.8511 60.2440 32.4684 179.2834 85 Q 4.2640 8.1590 119.0797 58.5105 28.3257 178.2189 86 H 4.2914 7.9178 118.6809 59.3648 29.7955 177.0618 87 L 4.1687 8.3724 121.2202 57.5667 41.3712 179.3119 88 F 3.9993 8.8013 121.2202 61.1561 39.1599 176.9313 89 K 3.7705 7.7765 117.6870 59.4189 32.1081 177.1630 90 Y 4.2690 7.5896 114.2378 56.4993 37.9224 175.5674 91 Q 2.9882 7.7666 118.3111 56.8241 27.0589 175.7318 *93 G 4.0534 7.9449 103.4705 45.3607 0.0000 174.3757 94 H 4.2289 8.5466 117.4695 57.8455 28.8725 175.5643 95 I 4.1528 7.5265 119.8961 59.7393 36.8999 176.8894 96 G 4.0591 8.8947 118.8391 45.9789 0.0000 171.2265 97 A 5.0806 7.3570 119.6757 50.3324 21.7919 177.3173 98 Y 4.5228 9.0343 120.3034 56.2746 40.8534 174.8741 99 L 5.3721 8.6739 123.3150 52.8605 46.0624 176.4347 100 I 4.5590 8.8334 122.5603 59.7542 39.5758 174.8065 101 V 4.9039 8.4782 126.9722 59.9884 33.2582 175.0194 102 A 4.8037 9.7049 125.4806 49.5834 23.3231 175.0722 103 G 4.3407 7.6628 109.1148 45.9473 0.0000 172.1599 104 V 4.5413 7.8532 112.8587 59.4951 34.3674 176.1590 105 D 4.2838 8.3863 121.3496 53.8483 39.1004 175.0265 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 8.17 4.51 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 1.23 0.00 0.00 2 T 9.07 4.59 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 3 I 9.26 5.12 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.70 0.94 0.00 0.00 4 V 8.89 4.65 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 0.75 0.00 0.00 0.95 0.00 0.00 5 G 8.52 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 9.08 4.59 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 1.09 0.00 0.00 0.96 0.00 0.00 7 K 8.83 4.57 0.00 1.78 1.65 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.35 7.81 8 F 8.05 5.12 0.00 3.18 3.13 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 9 N 9.16 4.24 0.00 2.89 3.13 0.00 0.00 5.69 8.04 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 10 N 8.38 4.96 0.00 2.73 2.98 0.00 0.00 6.79 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 11 G 6.09 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.77 4.84 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 0.71 0.00 0.00 1.00 0.00 0.00 13 V 8.97 4.77 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 1.09 0.00 0.00 0.94 0.00 0.00 14 I 8.40 5.20 1.98 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.77 0.97 0.00 0.00 15 A 8.84 4.89 1.21 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 0.00 0.00 0.00 16 A 8.20 5.05 1.21 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 0.00 0.00 0.00 17 D 8.37 4.77 0.00 2.74 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.19 4.76 4.33 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 1.22 0.00 0.00 19 R 8.50 4.64 0.00 1.85 2.03 0.00 3.20 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 20 S 8.95 4.89 0.00 3.92 3.65 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 0.00 0.00 0.00 0.00 21 T 8.63 5.09 4.46 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 1.21 0.00 0.00 22 Q 8.98 4.31 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.71 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 23 G 8.71 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 24 P 0.00 4.57 0.00 2.19 2.16 0.00 3.75 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 1.96 1.98 0.00 25 I 7.49 4.21 2.01 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 1.18 0.61 0.91 0.00 0.00 26 V 8.18 4.20 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 0.78 0.00 0.00 0.93 0.00 0.00 27 A 8.49 4.14 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 28 D 7.74 4.66 0.00 2.66 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.72 4.31 0.00 1.79 1.84 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.42 1.42 7.81 30 N 8.57 5.31 0.00 2.68 2.69 0.00 0.00 7.18 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 31 C 8.42 4.66 0.00 3.05 3.08 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 32 A 8.41 4.68 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 33 K 8.79 4.31 0.00 1.73 2.00 0.00 1.78 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.47 7.81 34 L 7.75 5.06 0.00 1.58 1.85 0.97 1.04 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 35 H 9.88 5.01 0.00 2.92 3.08 0.00 5.60 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 36 R 7.95 3.63 0.00 0.67 1.14 0.00 3.06 0.00 0.00 2.85 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.50 0.00 37 I 8.45 3.92 1.92 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 1.29 0.59 0.85 0.00 0.00 38 S 7.21 4.59 0.00 3.91 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 39 P 0.00 4.31 0.00 2.12 2.27 0.00 3.63 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 2.06 2.16 0.00 40 K 8.17 4.77 0.00 1.86 1.85 0.00 1.65 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.51 7.81 41 I 7.95 4.78 1.85 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.70 1.00 0.00 0.00 42 W 9.29 5.08 0.00 3.29 3.20 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 43 C 10.03 5.37 0.00 2.83 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 44 A 9.31 5.32 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 45 G 9.03 4.57 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 0.00 0.00 0.00 46 A 9.67 4.90 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 47 G 9.07 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 48 T 9.84 4.19 4.39 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 1.22 0.00 0.00 49 A 9.02 4.00 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 50 A 8.04 3.97 1.31 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 51 D 7.98 4.22 0.00 2.92 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 52 T 8.04 3.83 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 1.34 0.00 0.00 53 E 8.23 3.62 0.00 2.09 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 2.29 2.32 0.00 54 A 8.21 3.96 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 55 V 8.14 3.52 2.16 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 0.84 0.00 0.00 0.93 0.00 0.00 56 T 7.76 3.83 4.33 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 1.12 0.00 0.00 57 Q 8.08 3.96 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 58 L 7.94 3.86 0.00 1.76 1.68 0.87 0.76 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 59 I 7.76 3.78 1.93 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 1.42 0.35 0.87 0.00 0.00 60 G 8.01 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.21 4.04 0.00 3.91 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 62 N 8.27 4.38 0.00 2.74 2.82 0.00 0.00 7.13 6.88 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 63 I 8.39 3.72 2.04 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 1.41 0.96 0.90 0.00 0.00 64 E 8.36 3.91 0.00 2.07 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 0.00 2.31 2.35 0.00 65 L 8.00 4.02 0.00 1.92 1.73 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 66 H 8.51 4.15 0.00 3.26 3.45 0.00 5.60 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.44 4.22 0.00 4.05 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 68 L 7.89 4.03 0.00 1.85 1.76 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 8.05 4.10 0.00 3.07 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 70 T 8.20 4.37 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 1.18 0.00 0.00 71 S 7.94 3.78 0.00 4.04 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 72 R 7.71 4.78 0.00 1.77 1.81 0.00 3.23 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.85 0.00 73 E 8.52 4.22 0.00 1.98 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 2.29 0.00 74 P 0.00 4.44 0.00 2.05 1.99 0.00 3.66 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 2.03 2.13 0.00 75 R 8.18 4.81 0.00 1.85 1.88 0.00 3.15 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 76 V 9.15 3.59 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 1.12 0.00 0.00 1.04 0.00 0.00 77 V 7.80 3.64 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 0.75 0.00 0.00 0.93 0.00 0.00 78 S 8.16 4.09 0.00 4.02 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 79 A 7.90 3.94 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 80 L 8.15 3.87 0.00 1.88 1.85 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.10 3.97 0.00 2.35 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 82 M 8.29 4.09 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.53 0.00 83 L 8.23 4.01 0.00 1.70 1.72 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.19 4.03 0.00 2.02 2.14 0.00 1.28 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.64 1.56 7.81 85 Q 8.16 4.26 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 86 H 7.92 4.29 0.00 3.24 3.55 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.37 4.17 0.00 1.75 1.69 0.87 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 88 F 8.80 4.00 0.00 3.22 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 89 K 7.78 3.77 0.00 1.95 1.93 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.98 1.33 7.81 90 Y 7.59 4.27 0.00 2.99 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 91 Q 7.77 2.99 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.48 0.00 0.00 0.00 0.00 0.00 2.04 2.28 0.00 *93 G 7.94 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 94 H 8.55 4.23 0.00 3.31 3.40 0.00 5.65 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 7.53 4.15 1.75 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.24 0.81 0.00 0.00 96 G 8.89 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 0.00 0.00 0.00 97 A 7.36 5.08 1.14 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 0.00 0.00 98 Y 9.03 4.52 0.00 3.06 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 99 L 8.67 5.37 0.00 1.51 1.57 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.83 4.56 1.93 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 1.33 0.82 0.96 0.00 0.00 101 V 8.48 4.90 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 0.73 0.00 0.00 0.96 0.00 0.00 102 A 9.70 4.80 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 0.00 103 G 7.66 4.34 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 0.00 104 V 7.85 4.54 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 0.74 0.00 0.00 0.96 0.00 0.00 105 D 8.39 4.28 0.00 2.79 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 * Residues marked with a * may have inaccurate shift predictions.