NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4696 8.3349 116.7974 58.2579 65.1374 174.7358 4 N 4.8336 7.7390 115.2462 53.0831 39.2349 175.9432 5 Q 4.0502 9.0547 121.9654 59.4502 29.6889 178.2594 6 T 3.9386 7.8514 116.2781 66.5530 68.6069 176.9035 7 V 3.5475 7.6581 119.6552 66.0137 31.7056 177.0597 8 Y 3.6185 8.0004 119.6654 60.8319 38.5127 178.0714 9 Q 3.9840 8.7205 120.6841 59.0147 28.9048 177.8985 10 F 3.9111 8.0329 120.8717 61.3294 39.7507 176.7633 11 I 3.8332 7.8994 119.1564 64.4504 36.6760 178.3318 12 A 3.8288 7.4875 120.3360 54.9618 18.2953 179.0050 13 E 4.1085 8.1192 115.1436 57.5743 29.8480 176.9999 14 N 4.8404 7.5882 117.0244 52.3153 40.1648 176.8500 15 Q 3.8341 8.2316 119.0850 59.2120 28.7613 178.0247 16 N 4.2350 7.9132 116.8283 56.3256 38.6099 177.0045 17 E 3.8360 7.8997 120.1617 59.1133 29.7631 178.5507 18 L 3.1882 7.8478 119.3871 57.2659 41.4541 179.1301 19 L 3.9251 7.8632 120.4817 58.2115 41.9119 178.9844 20 Q 3.8835 7.7408 118.9870 58.9655 29.0047 177.3919 21 L 3.8728 7.9658 121.8549 58.3737 41.9244 179.2019 22 W 4.2144 8.2586 118.8866 59.6811 28.7398 178.7008 23 T 4.0206 8.1852 115.9335 67.0093 67.9300 176.2641 24 D 4.4230 8.4500 120.8451 57.6233 40.8048 178.9676 25 T 3.9081 8.2678 116.3497 66.6643 68.4861 176.5910 26 L 3.9339 8.3533 121.0101 57.7652 41.4417 179.7443 27 K 3.7110 7.8537 117.2415 59.2893 32.1272 178.7067 28 E 4.0669 8.3417 119.6475 59.3599 29.5778 178.9435 29 L 4.0179 8.0583 119.2794 57.6413 41.5176 179.5907 30 S 4.2394 8.3706 114.4207 61.4264 62.6240 176.3161 31 E 4.0366 7.8462 121.0143 58.5130 29.2468 178.1476 32 Q 4.3257 7.7732 116.3481 55.5273 29.2310 175.1655 33 E 4.5791 7.6253 120.5387 54.3049 31.6883 176.2476 34 S 4.3473 8.2598 114.2104 60.7019 63.5118 173.6102 35 Y 4.9320 6.9806 116.7730 55.4448 40.7628 173.7711 36 Q 4.6648 8.5891 119.1422 53.9459 31.1406 176.1635 37 L 4.3441 8.6862 123.7262 54.3973 42.7694 176.9875 38 T 4.4393 7.7918 109.7580 60.9184 71.3428 175.1657 39 D 4.5708 8.6637 121.8399 58.0328 40.8173 179.0699 40 Q 3.9722 8.1401 119.1966 59.0617 28.9677 178.4574 41 V 3.5156 7.2037 119.4434 66.2517 31.4977 177.6965 42 Y 4.4407 7.4629 116.1152 61.0120 37.6045 178.0995 43 E 4.2814 8.5673 121.8458 58.9785 29.7879 178.4805 44 N 4.3748 8.4946 116.6743 56.4795 38.5013 177.4059 45 I 3.8522 7.9497 120.9810 64.5726 37.2816 178.3830 46 S 4.3904 8.5546 116.2581 61.8774 62.6802 176.9074 47 K 4.0888 8.5238 122.2294 59.5603 31.9496 178.6723 48 E 4.0408 8.5709 118.9903 59.4749 29.3181 178.5190 49 Y 4.2921 8.5372 119.8079 61.0556 38.8898 178.2962 50 I 3.8680 8.2597 120.5630 64.5177 37.2324 177.9575 51 D 4.4022 8.4614 119.8298 57.5856 40.5030 178.6549 52 I 3.6795 7.4656 118.5886 64.7461 37.4746 177.8441 53 L 4.0235 7.9610 119.4960 58.0218 41.3054 179.7007 54 L 4.3035 7.9774 117.1101 57.0991 41.6880 178.7815 55 L 4.3689 7.9632 117.5946 56.0310 41.7209 177.4364 56 S 5.1704 7.8965 114.2419 57.2529 63.2543 175.6107 57 V 3.8393 8.1556 122.8117 64.7953 30.7333 177.1486 58 K 4.0948 7.7854 120.3013 57.1846 32.8150 176.1545 59 D 4.4206 7.0955 115.7958 53.0084 41.2203 175.0888 60 E 4.2147 8.4641 115.6300 57.7651 30.3841 178.1944 61 N 4.4521 9.0212 118.9830 56.4082 38.8362 177.2384 62 A 3.9224 8.0367 119.5844 54.8856 18.7545 178.1602 63 A 4.6775 7.5141 116.7857 52.1453 18.8981 178.4447 64 E 3.8574 7.8676 122.6640 60.8556 29.5917 179.5256 65 S 4.1469 8.0041 113.3202 61.7244 63.0597 176.2560 66 Q 4.0786 8.0348 121.2145 58.3266 28.5609 178.3914 67 I 3.7335 8.1979 121.5333 64.5017 37.1380 178.3621 68 S 4.1357 8.1455 113.8955 61.3773 62.1070 176.0483 69 E 3.9523 8.3239 121.3319 59.3542 29.1405 179.1178 70 L 4.1032 8.3070 120.3893 58.0678 42.1573 178.9172 71 A 4.1412 8.2563 120.8808 54.9267 18.3303 179.3125 72 L 3.6755 8.0673 118.9919 58.2024 42.1900 178.9966 73 R 3.8352 8.2468 118.6578 59.4446 29.9822 177.9697 74 A 4.1147 8.3031 120.6675 55.3748 18.2618 179.6268 75 V 3.4294 7.5505 116.3754 66.4483 31.3023 178.3067 76 Q 3.9691 8.1823 116.7992 58.3828 28.6264 177.9513 77 I 4.2275 7.7745 111.5658 61.0164 38.1581 176.5271 78 G 4.0597 7.8252 109.2957 45.5782 0.0000 173.2331 79 L 4.2647 7.8034 120.3272 53.7612 43.1388 177.8224 80 S 5.1301 8.1400 122.4443 57.2583 62.6667 176.1063 *82 K 3.9774 8.8230 116.9540 56.1851 33.5803 177.2367 83 F 3.8855 8.4211 120.3832 61.1255 39.2025 176.7326 84 L 3.8178 8.1636 119.8126 58.1752 41.9196 178.8251 85 A 3.9256 7.5523 120.0851 55.2645 18.2687 179.4948 86 T 3.5676 7.8059 114.1443 66.5358 68.4312 176.5543 87 A 3.3616 7.5711 122.7947 55.0364 17.8194 179.6573 88 L 3.0992 7.5597 117.3651 57.5411 41.4272 179.6136 89 A 4.0933 7.8703 120.7058 55.2596 18.2470 179.3666 90 E 3.5797 7.9676 117.6799 58.9211 29.6167 178.8955 91 F 4.2666 7.9165 118.5490 60.4152 38.8164 177.6513 92 W 4.0572 7.4696 115.3558 59.1710 27.8653 178.6730 93 K 3.4240 6.6047 119.3864 59.1158 31.4535 179.5570 94 R 4.0041 8.2330 118.5999 58.8906 29.7336 178.7531 95 L 4.0698 8.1075 119.6694 58.3166 42.2110 177.8452 96 Y 4.2831 8.2239 118.6463 61.2094 38.7218 178.1788 97 T 3.7902 7.4877 114.8452 66.4688 68.3780 176.7043 98 K 3.7674 7.5456 116.6234 58.0871 32.0737 177.8456 *100 N 4.4349 7.9897 117.4210 53.0339 40.6036 174.0307 101 D 4.6733 7.1764 117.1429 54.1928 41.3446 176.6870 *108 E 4.1336 7.8251 118.3098 55.9345 32.0707 174.9094 109 S 4.2295 8.5344 121.9119 62.1232 63.0934 176.9703 110 T 3.7027 7.9574 118.0093 66.7224 68.1803 176.2360 111 E 4.1536 8.2427 120.6064 59.0836 29.6407 178.2369 112 L 4.2572 7.8608 121.6970 57.6684 42.0578 178.9007 113 I 3.5828 7.7093 119.5313 64.4303 37.0186 178.5312 114 W 4.6093 7.7367 119.4047 59.7092 28.3353 178.7256 115 Q 4.1259 8.5181 118.3819 59.0930 28.1303 178.8064 116 I 4.0072 8.2168 121.1885 64.4935 37.1342 177.9957 117 D 4.0267 8.3584 119.1786 57.3378 40.8498 178.2805 118 R 3.9231 8.0397 118.0438 59.2691 30.1203 178.0660 119 F 4.2644 8.0415 119.2099 61.3965 39.6812 176.8728 120 F 4.0951 8.7116 117.4941 59.8505 38.8000 177.7415 121 S 4.0753 8.2623 113.3598 61.1099 62.3027 174.7560 122 P 4.2750 0.0000 0.0000 64.9539 31.0342 178.5003 123 I 3.5462 7.4280 119.3748 64.4345 37.0810 177.8911 124 N 4.0431 8.3056 117.7690 56.3723 37.8428 177.6933 125 T 3.6677 7.9682 111.4672 64.5742 68.8060 176.3003 126 E 3.9658 7.9213 121.9553 58.9756 29.6022 178.7243 127 I 3.7837 7.8283 120.0972 64.3926 37.1653 178.3606 128 F 4.5353 8.0660 118.7606 60.6509 38.6743 177.1168 129 N 4.3965 8.5244 116.7643 57.0971 38.8139 176.9347 130 Q 4.0777 8.3482 119.1279 58.6107 28.4734 177.9246 131 Y 4.0492 8.4017 121.1441 60.7824 38.8349 178.0365 132 S 4.4880 8.4706 114.1349 61.5751 62.5731 175.9873 133 I 3.8640 8.1858 122.7729 64.5071 36.5351 177.9140 134 S 4.4956 7.7113 112.4792 58.4844 62.4102 174.3822 135 W 4.8469 7.7626 120.7107 58.3540 31.4477 175.1459 136 E 4.1930 8.7056 122.3031 56.7353 28.9646 176.2876 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 3 S 8.33 4.47 0.00 3.90 3.98 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 0.00 0.00 0.00 0.00 4 N 7.74 4.83 0.00 3.10 3.04 0.00 0.00 6.95 6.85 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 5 Q 9.05 4.05 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.88 6.91 0.00 0.00 0.00 0.00 0.00 2.56 2.39 0.00 6 T 7.85 3.94 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 1.25 0.00 0.00 7 V 7.66 3.55 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 0.89 0.00 0.00 1.03 0.00 0.00 8 Y 8.00 3.62 0.00 3.02 3.03 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 9 Q 8.72 3.98 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 10 F 8.03 3.91 0.00 3.16 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 11 I 7.90 3.83 1.79 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.84 0.91 0.00 0.00 12 A 7.49 3.83 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 13 E 8.12 4.11 0.00 1.73 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 0.00 2.25 2.38 0.00 14 N 7.59 4.84 0.00 2.27 2.37 0.00 0.00 6.86 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 15 Q 8.23 3.83 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.59 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.65 0.00 16 N 7.91 4.24 0.00 2.64 2.80 0.00 0.00 6.71 7.66 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 17 E 7.90 3.84 0.00 1.92 1.91 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 2.25 2.29 0.00 18 L 7.85 3.19 0.00 1.28 0.13 0.80 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.86 3.93 0.00 1.81 1.85 1.02 1.05 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 20 Q 7.74 3.88 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.50 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 21 L 7.97 3.87 0.00 1.68 1.43 0.90 0.88 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 22 W 8.26 4.21 0.00 3.15 1.88 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 23 T 8.19 4.02 4.44 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 1.35 0.00 0.00 24 D 8.45 4.42 0.00 2.89 2.74 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 25 T 8.27 3.91 4.75 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 1.30 0.00 0.00 26 L 8.35 3.93 0.00 1.78 1.38 1.33 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.85 3.71 0.00 1.87 1.89 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.63 1.62 7.81 28 E 8.34 4.07 0.00 2.09 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 0.00 2.28 2.34 0.00 29 L 8.06 4.02 0.00 1.75 1.53 0.46 0.53 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 30 S 8.37 4.24 0.00 4.08 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 31 E 7.85 4.04 0.00 2.09 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 2.58 2.51 0.00 32 Q 7.77 4.33 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 33 E 7.63 4.58 0.00 1.93 1.64 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 2.44 2.08 0.00 34 S 8.26 4.35 0.00 4.05 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 35 Y 6.98 4.93 0.00 3.08 2.98 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 0.00 0.00 0.00 0.00 36 Q 8.59 4.66 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.04 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 37 L 8.69 4.34 0.00 0.89 1.33 0.86 0.88 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 38 T 7.79 4.44 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 39 D 8.66 4.57 0.00 2.85 2.87 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 40 Q 8.14 3.97 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 41 V 7.20 3.52 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 0.78 0.00 0.00 0.84 0.00 0.00 42 Y 7.46 4.44 0.00 3.15 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 43 E 8.57 4.28 0.00 2.18 2.17 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 2.38 2.28 0.00 44 N 8.49 4.37 0.00 3.14 2.93 0.00 0.00 7.08 8.11 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 45 I 7.95 3.85 2.28 0.00 0.00 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 1.68 0.92 1.15 0.00 0.00 46 S 8.55 4.39 0.00 4.15 4.15 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 47 K 8.52 4.09 0.00 2.00 2.05 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.60 7.81 48 E 8.57 4.04 0.00 2.48 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 2.41 2.41 0.00 49 Y 8.54 4.29 0.00 3.30 3.37 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 0.00 50 I 8.26 3.87 2.17 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.08 0.97 0.00 0.00 51 D 8.46 4.40 0.00 2.94 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 52 I 7.47 3.68 1.95 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.60 0.82 0.00 0.00 53 L 7.96 4.02 0.00 1.85 1.92 1.28 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.98 4.30 0.00 1.66 1.79 0.87 0.40 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 55 L 7.96 4.37 0.00 1.80 1.74 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.90 5.17 0.00 3.71 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 57 V 8.16 3.84 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.31 0.00 0.00 58 K 7.79 4.09 0.00 1.69 1.80 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.39 7.81 59 D 7.10 4.42 0.00 2.82 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 60 E 8.46 4.21 0.00 2.06 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 2.22 0.00 61 N 9.02 4.45 0.00 2.88 2.88 0.00 0.00 6.80 7.16 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 62 A 8.04 3.92 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 63 A 7.51 4.68 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 64 E 7.87 3.86 0.00 2.16 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 0.00 2.32 2.35 0.00 65 S 8.00 4.15 0.00 4.09 4.11 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 0.00 0.00 0.00 0.00 66 Q 8.03 4.08 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.94 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 67 I 8.20 3.73 2.10 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 1.43 1.02 0.94 0.00 0.00 68 S 8.15 4.14 0.00 3.91 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 69 E 8.32 3.95 0.00 2.10 2.00 0.00 0.00 0.00 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 2.42 0.00 70 L 8.31 4.10 0.00 1.86 1.84 1.07 1.56 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 71 A 8.26 4.14 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 0.00 0.00 0.00 0.00 0.00 72 L 8.07 3.68 0.00 1.78 1.78 0.71 0.64 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 73 R 8.25 3.84 0.00 2.04 2.11 0.00 3.32 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 74 A 8.30 4.11 1.65 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 0.00 0.00 75 V 7.55 3.43 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 0.32 0.00 0.00 -0.10 0.00 0.00 76 Q 8.18 3.97 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.63 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 77 I 7.77 4.23 1.89 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 1.83 0.61 0.94 0.00 0.00 78 G 7.83 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 79 L 7.80 4.26 0.00 1.89 1.80 1.15 0.50 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 80 S 8.14 5.13 0.00 4.04 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 *82 K 8.82 3.98 0.00 1.81 1.86 0.00 1.50 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.44 7.81 83 F 8.42 3.89 0.00 3.15 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 84 L 8.16 3.82 0.00 1.94 1.49 0.97 1.31 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 85 A 7.55 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.81 3.57 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 0.98 0.00 0.00 87 A 7.57 3.36 0.56 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 88 L 7.56 3.10 0.00 1.69 1.64 0.93 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.87 4.09 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 90 E 7.97 3.58 0.00 1.96 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 2.23 2.35 0.00 91 F 7.92 4.27 0.00 2.73 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 0.00 0.00 0.00 0.00 92 W 7.47 4.06 0.00 3.07 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 93 K 6.60 3.42 0.00 1.42 1.49 0.00 1.24 0.00 0.00 1.20 0.00 0.00 2.65 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.30 0.21 7.81 94 R 8.23 4.00 0.00 2.09 2.07 0.00 3.25 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 95 L 8.11 4.07 0.00 2.12 2.20 1.11 1.40 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 96 Y 8.22 4.28 0.00 3.11 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 97 T 7.49 3.79 4.38 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 1.17 0.00 0.00 98 K 7.55 3.77 0.00 2.01 2.03 0.00 1.85 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.63 7.81 *100 N 7.99 4.43 0.00 1.66 2.33 0.00 0.00 7.04 8.47 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 0.00 101 D 7.18 4.67 0.00 2.95 2.60 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 *108 E 7.83 4.13 0.00 2.14 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 2.62 0.00 109 S 8.53 4.23 0.00 3.97 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 0.00 110 T 7.96 3.70 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 1.38 0.00 0.00 111 E 8.24 4.15 0.00 2.17 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 2.47 2.52 0.00 112 L 7.86 4.26 0.00 1.88 1.99 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 113 I 7.71 3.58 1.36 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.42 0.21 0.00 0.00 114 W 7.74 4.61 0.00 3.72 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 0.00 115 Q 8.52 4.13 0.00 2.38 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.85 0.00 116 I 8.22 4.01 2.10 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.92 1.13 0.00 0.00 117 D 8.36 4.03 0.00 2.57 2.97 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 0.00 118 R 8.04 3.92 0.00 2.02 2.21 0.00 3.36 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 119 F 8.04 4.26 0.00 3.01 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 0.00 120 F 8.71 4.10 0.00 3.16 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 0.00 121 S 8.26 4.08 0.00 3.95 3.85 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 0.00 122 P 0.00 4.28 0.00 2.40 2.23 0.00 3.74 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 1.91 1.83 0.00 123 I 7.43 3.55 1.80 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 1.34 0.17 0.79 0.00 0.00 124 N 8.31 4.04 0.00 2.52 2.27 0.00 0.00 6.87 7.91 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 0.00 125 T 7.97 3.67 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 1.27 0.00 0.00 126 E 7.92 3.97 0.00 2.22 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 0.00 2.28 2.39 0.00 127 I 7.83 3.78 1.87 0.00 0.00 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 1.60 0.59 1.06 0.00 0.00 128 F 8.07 4.54 0.00 3.18 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 0.00 129 N 8.52 4.40 0.00 2.95 3.02 0.00 0.00 7.28 7.12 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 0.00 130 Q 8.35 4.08 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.54 2.54 0.00 131 Y 8.40 4.05 0.00 3.32 3.18 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 0.00 132 S 8.47 4.49 0.00 4.15 3.99 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 0.00 133 I 8.19 3.86 2.12 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 1.58 1.03 0.93 0.00 0.00 134 S 7.71 4.50 0.00 3.65 3.46 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 0.00 135 W 7.76 4.85 0.00 3.49 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 0.00 136 E 8.71 4.19 0.00 2.00 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 2.38 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.