NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.3335 8.2027 121.0216 55.4708 29.4769 174.6714 2 V 3.8448 7.3281 121.5310 62.7439 32.3960 174.2600 3 Q 4.7136 10.0134 127.3199 54.3685 34.0026 173.5185 4 L 5.2540 8.4201 120.6963 53.3362 46.5464 175.4174 5 Q 4.6138 8.9035 121.0454 54.4583 33.0030 174.0742 6 E 5.0680 8.9679 123.4798 55.8790 31.3360 176.0479 7 S 4.7243 9.5579 118.8860 57.0002 66.9929 173.5898 8 G 4.3564 8.4724 110.0846 44.5027 0.0000 170.8206 9 P 4.2923 0.0000 0.0000 63.5027 31.0919 176.4904 10 G 3.9612 7.7634 110.5119 43.9820 0.0000 171.9656 11 L 5.2364 7.4172 120.7742 52.3754 44.9395 176.5851 12 V 4.2657 8.4398 121.6841 61.0326 35.8738 174.6885 *17 S 4.1726 8.6513 119.9619 59.5915 63.8051 169.6530 18 L 4.8300 8.8396 124.8594 52.7497 45.7537 175.0823 19 S 4.9956 8.4353 117.5627 56.6425 65.5792 172.8784 20 I 4.7171 8.7560 127.3441 59.8260 40.4658 174.5352 21 T 5.1998 9.2430 122.9106 62.0516 71.6049 172.7423 22 C 5.3794 9.4131 125.2616 55.3281 46.7162 172.5358 23 T 4.9606 8.9532 124.3317 62.1405 69.9267 174.6062 24 V 5.0516 8.1372 119.3854 59.8422 35.1743 174.8150 25 S 4.2939 8.9050 115.4210 58.3563 66.2694 175.5632 26 G 4.0166 10.9433 108.7038 46.5171 0.0000 172.8813 27 F 4.7086 6.9134 111.9164 55.9860 40.5252 172.9755 28 S 4.5359 8.5079 115.8628 56.6984 63.5513 175.0665 29 L 4.3051 8.2888 127.0493 57.4294 41.5913 179.2296 30 T 4.2016 8.0978 108.8616 63.5375 68.8811 175.8836 31 G 4.0680 8.0760 108.9309 45.3865 0.0000 172.4839 32 Y 4.6381 7.7192 115.9115 56.1491 42.3877 174.9980 33 G 3.9125 8.3742 109.2034 45.3688 0.0000 172.8007 34 V 4.7353 8.2818 119.4648 61.0064 34.5495 174.2143 35 N 5.2051 8.8705 125.2447 51.3448 41.7226 173.6411 36 W 5.0000 8.4821 120.9736 54.9967 32.1618 175.1658 37 V 5.0339 9.2159 123.7511 61.2089 35.0123 174.1141 38 R 5.0846 9.0871 122.4238 54.6602 33.5966 174.4252 39 Q 4.9530 8.5437 120.5553 54.5569 31.8796 172.4354 40 P 4.6518 0.0000 0.0000 61.3241 32.2128 174.3367 41 P 4.3118 0.0000 0.0000 64.5378 31.4760 176.6316 42 G 3.9486 8.9470 109.4926 46.0703 0.0000 172.7853 43 K 4.7012 7.9837 119.4868 54.2967 34.8996 175.1564 44 G 4.0267 8.1915 108.5613 44.7287 0.0000 172.2901 45 L 4.6753 8.1786 118.8630 54.2304 42.7613 176.5440 46 E 4.7744 9.3107 123.9549 53.9703 32.6252 174.5333 47 W 4.5653 9.1650 135.0000 57.7721 31.1809 175.0996 48 L 4.3655 8.6741 126.8128 54.8167 43.5279 176.6580 49 G 3.1663 5.7766 102.7432 46.7208 0.0000 170.8425 50 M 5.1192 7.6070 115.7697 54.1796 35.2942 173.5979 51 I 4.9290 8.2631 119.5433 58.9644 41.0339 175.3049 52 W 4.5463 9.4758 129.8911 55.9109 29.8061 177.3654 53 G 4.1917 9.2715 109.0233 47.7552 0.0000 174.1892 54 D 4.6162 8.2435 116.3359 53.2523 39.5421 177.0636 55 G 4.0938 8.4668 110.0276 45.7141 0.0000 174.3477 56 N 4.6406 8.3438 117.6154 53.5097 39.1502 174.1109 57 T 5.2138 8.3333 110.1888 60.1220 71.9443 172.8521 58 D 5.0413 8.3196 121.4083 53.2435 45.6514 173.9786 59 Y 5.2066 8.6456 117.5639 55.7293 42.7873 174.6035 60 N 4.8258 9.1969 120.5853 54.3150 39.4287 176.1344 61 S 4.2343 9.1739 120.8465 61.4088 63.5287 175.5225 62 A 4.1286 8.2462 122.7713 54.2323 18.4106 177.7659 63 L 4.4957 8.3224 113.9403 54.3462 42.1510 178.1226 64 K 3.6235 8.0458 121.3818 59.5554 32.0606 178.4858 65 S 4.2125 7.9736 110.9855 60.0951 63.4347 174.4550 66 R 4.9264 8.1040 119.0770 55.0207 31.3861 175.2726 67 L 5.2120 7.3832 118.0889 52.9690 45.0519 176.3012 68 S 4.5488 9.1429 117.0127 57.1982 65.7054 172.5370 69 I 5.2614 9.2802 128.9498 59.8274 39.5845 175.0594 70 S 4.9678 9.0663 119.8662 57.6570 67.1572 172.1992 71 K 4.8901 8.4431 118.1140 56.2492 35.8994 175.1758 72 D 4.7010 9.1169 119.5683 51.8059 42.8401 175.3927 73 N 4.3276 8.9942 124.5194 56.3848 38.4507 177.1532 74 S 4.2437 7.9186 114.4376 60.3678 63.1908 175.6138 75 K 4.3549 7.8913 119.3206 54.7852 33.0167 176.0488 76 S 3.6155 7.8062 114.7842 59.8835 61.1968 171.7484 77 Q 4.9640 7.5808 116.2839 53.9841 33.0353 175.5664 78 V 4.4685 8.4736 122.3933 60.9624 35.0498 174.1609 79 F 5.5773 9.2717 124.9835 55.6171 42.7402 173.6280 80 L 4.5989 8.6753 125.2090 52.9737 44.1215 175.0052 81 K 5.0295 9.1712 125.7512 54.8275 35.3481 175.1120 82 M 5.9265 9.1583 123.5008 52.4892 36.0827 174.2006 83 N 5.1589 8.2010 117.9365 50.4832 41.8812 173.5315 84 S 3.8534 8.6359 111.5398 58.6940 60.5185 173.1820 85 L 4.2334 7.9009 117.5180 55.7987 42.4146 176.7033 86 H 4.9656 9.3440 120.5119 54.1364 33.4022 174.5200 87 T 4.1021 8.0478 113.8197 64.6646 68.6170 175.9451 88 D 4.5473 8.3271 120.6130 56.7116 40.9440 176.5778 89 D 4.7007 8.3334 117.9332 55.2296 41.1336 176.5111 90 T 4.3410 7.9096 117.4782 63.7995 68.8775 173.7532 91 A 4.2859 8.5017 127.4233 51.7470 23.8986 174.4480 92 R 4.6461 8.1824 119.9189 55.8755 31.7600 174.6132 93 Y 5.0303 9.3550 124.2196 56.5284 40.4104 174.3154 94 Y 5.6404 9.7707 122.1079 56.3532 41.7391 172.3019 95 C 4.7521 9.6912 116.9902 53.5695 42.0266 172.6096 96 A 4.7947 7.9764 121.4639 50.1537 22.7190 175.5074 97 R 4.2243 8.7301 122.9227 56.1011 31.5988 174.6803 98 E 4.8416 9.0090 127.4611 54.4317 31.7630 174.3052 99 R 4.5409 8.8187 128.0611 54.2315 31.9628 175.0595 100 D 4.2123 9.2105 128.7506 55.6168 39.3576 172.4744 101 Y 3.7171 7.4705 108.3369 58.5928 35.6747 170.2636 102 R 4.5702 7.5654 114.0509 54.7839 32.5566 174.3291 103 L 4.9808 8.6386 120.6857 53.1311 40.8977 175.9647 104 D 4.5134 8.3493 123.9210 54.3041 40.5257 176.7090 105 Y 4.8094 7.5947 116.8042 55.8447 41.6062 174.0605 106 W 5.1372 8.8722 122.9511 54.5933 32.6372 175.5276 107 G 4.2053 8.5659 110.7641 44.8606 0.0000 174.0114 108 Q 4.1635 8.5955 117.4725 57.0396 28.9818 177.7799 109 G 3.8181 9.7749 103.0762 45.2164 0.0000 172.4185 110 T 4.6717 8.3627 112.4803 60.4759 70.5186 172.8413 111 T 4.7682 8.5620 125.0729 63.0139 70.4110 173.2572 112 L 5.1605 9.1548 127.5935 53.5707 45.5678 175.1040 113 T 4.9091 9.1477 122.2431 61.7009 72.4770 173.1576 114 V 4.1222 8.5980 126.5214 62.0557 32.3042 174.6147 115 S 4.1059 9.2535 128.7171 58.0233 61.9380 174.3905 116 S 4.1688 9.0229 121.1033 58.8226 63.8669 174.5197 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 Q 8.20 4.33 0.00 1.76 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.07 0.00 0.00 0.00 0.00 0.00 2.26 1.94 0.00 2 V 7.33 3.84 0.67 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 0.08 0.00 0.00 0.43 0.00 0.00 3 Q 10.01 4.71 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.54 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 4 L 8.42 5.25 0.00 1.59 1.44 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.90 4.61 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.91 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 6 E 8.97 5.07 0.00 1.93 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 2.65 2.48 0.00 7 S 9.56 4.72 0.00 3.73 3.74 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 8 G 8.47 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 0.00 0.00 0.00 0.00 9 P 0.00 4.29 0.00 1.99 2.08 0.00 3.63 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.02 0.00 10 G 7.76 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 11 L 7.42 5.24 0.00 1.54 1.50 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.44 4.27 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 0.65 0.00 0.00 0.88 0.00 0.00 *17 S 8.65 4.17 0.00 3.42 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 18 L 8.84 4.83 0.00 1.57 1.36 0.70 0.33 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 19 S 8.44 5.00 0.00 3.77 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.76 4.72 1.38 0.00 0.00 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 1.03 0.39 1.13 0.00 0.00 21 T 9.24 5.20 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 1.27 0.00 0.00 22 C 9.41 5.38 0.00 2.64 2.93 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 23 T 8.95 4.96 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 1.16 0.00 0.00 24 V 8.14 5.05 1.81 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 0.64 0.00 0.00 0.40 0.00 0.00 25 S 8.90 4.29 0.00 3.76 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 G 10.94 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 27 F 6.91 4.71 0.00 2.84 2.63 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 28 S 8.51 4.54 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 29 L 8.29 4.31 0.00 1.83 1.75 0.79 0.64 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 30 T 8.10 4.20 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 1.29 0.00 0.00 31 G 8.08 4.07 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 0.00 0.00 0.00 32 Y 7.72 4.64 0.00 2.99 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 33 G 8.37 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 34 V 8.28 4.74 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 0.48 0.00 0.00 0.91 0.00 0.00 35 N 8.87 5.21 0.00 2.34 2.52 0.00 0.00 6.39 7.64 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 36 W 8.48 5.00 0.00 3.08 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 37 V 9.22 5.03 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 1.35 0.00 0.00 0.93 0.00 0.00 38 R 9.09 5.08 0.00 1.17 1.22 0.00 2.46 0.00 0.00 2.87 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.39 0.00 39 Q 8.54 4.95 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.95 0.00 0.00 0.00 0.00 0.00 2.32 2.53 0.00 40 P 0.00 4.65 0.00 2.23 1.97 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 41 P 0.00 4.31 0.00 2.05 2.04 0.00 3.84 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 2.05 2.13 0.00 42 G 8.95 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 43 K 7.98 4.70 0.00 1.82 1.77 0.00 1.60 0.00 0.00 1.87 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.40 7.81 44 G 8.19 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.18 4.68 0.00 1.64 1.77 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 46 E 9.31 4.77 0.00 2.03 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 47 W 9.16 4.57 0.00 3.35 3.21 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 48 L 8.67 4.37 0.00 1.69 1.63 1.04 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 49 G 5.78 3.17 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 50 M 7.61 5.12 0.00 2.09 1.82 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.59 0.00 51 I 8.26 4.93 1.91 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 1.31 1.73 0.98 0.00 0.00 52 W 9.48 4.55 0.00 3.57 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 53 G 9.27 4.19 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 0.00 54 D 8.24 4.62 0.00 2.80 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.47 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 56 N 8.34 4.64 0.00 3.00 2.81 0.00 0.00 6.33 7.04 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 57 T 8.33 5.21 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 1.41 0.00 0.00 58 D 8.32 5.04 0.00 2.99 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 59 Y 8.65 5.21 0.00 2.90 2.86 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 60 N 9.20 4.83 0.00 3.18 2.87 0.00 0.00 7.33 7.95 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 61 S 9.17 4.23 0.00 4.10 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 0.00 62 A 8.25 4.13 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 63 L 8.32 4.50 0.00 1.79 1.72 0.98 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.05 3.62 0.00 2.04 1.84 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.28 7.81 65 S 7.97 4.21 0.00 3.98 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 66 R 8.10 4.93 0.00 1.72 2.09 0.00 3.30 0.00 0.00 3.25 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.39 0.00 67 L 7.38 5.21 0.00 1.32 1.57 1.02 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 68 S 9.14 4.55 0.00 3.76 3.63 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 69 I 9.28 5.26 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.92 1.18 0.00 0.00 70 S 9.07 4.97 0.00 4.01 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 71 K 8.44 4.89 0.00 1.87 1.83 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.73 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.39 1.49 7.81 72 D 9.12 4.70 0.00 2.99 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 73 N 8.99 4.33 0.00 2.78 2.87 0.00 0.00 6.79 7.07 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 74 S 7.92 4.24 0.00 3.98 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 75 K 7.89 4.35 0.00 1.83 1.89 0.00 2.01 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.58 7.81 76 S 7.81 3.62 0.00 3.91 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 77 Q 7.58 4.96 0.00 1.84 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.84 0.00 0.00 0.00 0.00 0.00 2.23 2.44 0.00 78 V 8.47 4.47 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 1.11 0.00 0.00 0.82 0.00 0.00 79 F 9.27 5.58 0.00 3.05 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 80 L 8.68 4.60 0.00 0.27 0.14 0.55 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 81 K 9.17 5.03 0.00 1.70 1.57 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.26 1.35 7.81 82 M 9.16 5.93 0.00 1.85 1.79 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.16 0.00 83 N 8.20 5.16 0.00 2.74 2.84 0.00 0.00 6.30 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 84 S 8.64 3.85 0.00 3.98 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 85 L 7.90 4.23 0.00 1.61 1.62 0.87 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 86 H 9.34 4.97 0.00 3.15 3.10 0.00 5.79 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 T 8.05 4.10 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 1.13 0.00 0.00 88 D 8.33 4.55 0.00 2.81 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 89 D 8.33 4.70 0.00 2.83 2.86 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 90 T 7.91 4.34 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 1.32 0.00 0.00 91 A 8.50 4.29 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 92 R 8.18 4.65 0.00 1.82 1.62 0.00 2.99 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.35 0.00 93 Y 9.36 5.03 0.00 2.99 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 94 Y 9.77 5.64 0.00 3.04 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 95 C 9.69 4.75 0.00 1.88 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 96 A 7.98 4.79 -0.12 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 97 R 8.73 4.22 0.00 1.48 1.67 0.00 2.21 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.23 0.00 98 E 9.01 4.84 0.00 1.76 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.15 0.00 99 R 8.82 4.54 0.00 2.11 1.81 0.00 3.43 0.00 0.00 3.16 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 100 D 9.21 4.21 0.00 2.78 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 0.00 101 Y 7.47 3.72 0.00 3.25 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 0.00 102 R 7.57 4.57 0.00 1.90 2.00 0.00 2.97 0.00 0.00 3.56 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 103 L 8.64 4.98 0.00 1.71 1.09 0.52 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.35 4.51 0.00 2.49 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 0.00 105 Y 7.59 4.81 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 0.00 106 W 8.87 5.14 0.00 3.07 3.04 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 0.00 0.00 0.00 0.00 107 G 8.57 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 0.00 0.00 0.00 0.00 108 Q 8.60 4.16 0.00 2.14 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.46 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 109 G 9.77 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 0.00 110 T 8.36 4.67 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 1.37 0.00 0.00 111 T 8.56 4.77 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 0.00 112 L 9.15 5.16 0.00 1.58 1.74 0.80 0.78 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 0.00 113 T 9.15 4.91 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 1.22 0.00 0.00 114 V 8.60 4.12 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 0.71 0.00 0.00 0.99 0.00 0.00 115 S 9.25 4.11 0.00 3.91 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 S 9.02 4.17 0.00 3.78 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 * Residues marked with a * may have inaccurate shift predictions.