NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2087 8.3144 121.7927 56.4076 34.0237 176.8107 4 C 4.1721 7.8977 117.6782 56.2413 43.7573 171.1909 5 S 4.8371 10.4558 123.2154 56.4328 65.3252 173.4670 6 L 3.9983 8.4209 126.9648 56.9880 41.9856 177.2009 7 T 4.2356 7.0977 114.0763 60.3917 68.1521 173.8147 8 G 3.2389 7.2312 117.0999 44.5830 0.0000 170.9898 9 K 4.8371 7.7161 120.9495 54.5179 35.2757 175.7392 10 W 5.3601 9.2610 124.8651 55.3239 33.0404 174.8692 11 T 5.8429 8.9475 116.4935 61.1197 72.5617 173.6104 12 N 5.7020 8.6412 121.2907 50.9397 41.0738 175.5844 13 D 4.6144 8.6134 118.3227 54.7170 39.7570 176.7960 14 L 4.3916 7.5160 119.0132 54.7113 43.0300 177.0664 15 G 4.0918 7.7301 104.3654 44.9406 0.0000 174.2091 16 S 4.5355 8.0351 115.9858 58.6599 64.5634 172.9083 17 N 5.4630 9.0306 119.4884 51.7236 41.9465 173.4223 18 M 5.1647 8.9875 121.1203 53.6462 34.9094 174.8018 19 T 4.9777 8.9811 117.7154 62.0699 72.2345 172.7966 20 I 4.7533 8.8280 127.9810 59.7374 39.8684 176.3299 21 G 4.4299 8.7725 114.1997 45.5624 0.0000 172.9495 22 A 5.0198 8.4606 122.4920 51.1188 19.6711 177.7486 23 V 5.2719 7.8283 112.4482 59.5635 34.1834 177.2403 24 N 4.9594 8.3692 125.8499 54.1582 37.7197 176.7757 25 S 4.6328 8.6587 117.2484 60.4935 64.9472 175.0869 26 R 4.1430 8.0007 116.4872 56.3750 30.2547 177.2826 27 G 4.4571 8.0935 106.7388 46.2465 0.0000 173.3564 28 E 4.3760 8.0304 119.6109 56.0614 30.5316 175.8880 29 F 5.4729 7.8601 117.0596 56.0034 42.3231 172.4619 30 T 4.7772 8.4902 108.0623 60.1512 73.0278 172.9840 31 G 3.7892 7.7376 107.8732 46.3387 0.0000 171.6190 32 T 5.2730 8.3745 108.6224 60.4376 72.5031 172.2765 33 Y 4.9820 10.4625 125.3750 56.3346 42.0103 174.5868 34 T 5.0473 9.0077 123.2243 61.9015 70.6969 172.9376 35 T 5.1154 9.1982 119.5706 61.1377 68.2780 174.3496 36 A 4.5568 8.5388 128.8221 52.3154 20.0294 177.0982 37 V 4.5750 7.3596 107.8563 59.8388 35.7572 174.4710 38 T 4.5638 8.0830 110.1437 60.5014 71.5993 173.2700 39 A 4.5849 8.2771 122.7345 52.3520 21.0350 177.0421 40 T 4.3055 7.6262 112.1443 62.9837 70.0316 175.6442 41 S 4.6008 8.2505 120.7456 56.8744 61.9088 173.0402 42 N 5.0169 7.4835 119.5420 51.7104 42.5574 173.3387 43 E 3.8905 8.7586 122.1721 56.1078 29.8739 176.9215 44 I 2.0000 7.8863 125.2177 60.7413 37.6218 175.6292 45 K 4.4264 7.0060 122.7116 54.9110 35.3022 174.8820 46 E 4.1344 8.5713 122.8771 55.9983 29.0686 176.1062 47 S 5.2025 9.2137 122.6572 56.0546 66.7919 171.6904 48 P 5.0727 0.0000 0.0000 62.1838 33.0515 174.6938 49 L 5.8852 8.5771 122.3563 53.3563 43.8032 174.6466 50 H 4.8346 8.9250 121.4075 54.6214 32.6992 171.5237 51 G 3.7482 7.8712 114.2773 46.4001 0.0000 170.6134 52 T 4.0885 7.5109 112.7803 61.0438 71.6779 173.3075 53 E 5.1722 9.6714 128.4751 54.3354 33.2130 174.2101 54 N 5.0410 9.2487 125.2210 53.5252 39.2621 174.8602 55 T 4.4302 8.5678 114.2783 61.6234 70.6233 173.0546 56 I 3.6378 7.8944 124.4583 61.8721 36.4244 171.0762 57 N 4.5874 8.5716 126.4331 52.3616 38.3236 175.5808 58 K 4.1761 8.4577 124.0474 57.0347 29.7296 174.1225 59 R 4.3774 7.9887 122.0952 54.6141 31.4681 177.5969 60 T 4.2767 8.4696 112.3246 63.4291 69.3271 173.8666 61 Q 4.9853 7.6503 120.1461 53.1427 29.3630 172.5926 62 P 4.6265 0.0000 0.0000 62.7227 33.7534 176.1118 63 T 5.0207 8.3430 110.5447 60.5550 71.0972 173.5384 64 F 5.5193 8.8905 118.6092 56.0216 42.2787 173.2153 65 G 5.1020 9.1134 104.7707 46.7890 0.0000 172.1326 66 F 5.3903 8.1662 115.2390 56.1704 41.3133 172.6197 67 T 5.0848 9.3018 116.7061 61.8370 71.8441 173.5013 68 V 4.2780 8.8288 125.5698 61.1016 33.6332 174.1943 69 N 4.4455 8.5162 128.2873 51.7115 38.5477 174.4496 70 W 4.6858 7.8098 125.7043 56.3037 29.6151 177.1549 71 K 4.3392 9.0806 121.9564 57.5876 32.1756 177.4474 72 F 4.8960 7.9018 111.5939 56.2836 38.7684 175.2468 73 S 4.5882 6.9809 115.2009 56.6918 65.7873 174.3178 74 E 4.1277 8.6369 119.1654 57.4377 29.0977 177.0017 75 S 4.7738 7.8705 115.4397 58.1342 64.2184 172.8596 76 T 4.9481 8.5079 121.6552 62.0735 71.7094 173.1287 77 T 5.2011 8.1942 121.5663 61.8420 72.2595 173.4837 78 V 4.8888 8.9500 117.8620 59.6173 35.5630 174.6759 79 F 5.2895 9.0728 122.8498 55.9641 42.6436 174.0853 80 T 4.7354 8.6028 116.1463 60.5855 71.4183 173.7242 81 G 3.7191 7.2877 113.3495 45.4788 0.0000 171.3539 82 Q 4.8420 7.6927 119.0833 54.3557 32.5518 174.0777 83 C 5.2497 9.1010 126.2934 55.9191 40.7093 172.2050 84 F 5.2453 9.3411 124.6552 55.8645 42.4052 174.7612 85 I 4.3113 8.8209 123.3296 59.4704 38.0214 175.1268 86 D 4.5902 8.8758 128.0796 54.0236 41.6304 177.2998 87 R 4.0981 8.3726 116.2142 58.6119 29.8358 177.5405 88 N 4.3872 8.0634 114.4358 54.4833 38.6523 175.8669 89 G 3.9973 7.9269 107.0718 44.6075 0.0000 173.3114 90 K 4.5482 7.6013 119.3616 55.5281 34.5802 176.3138 91 E 4.8131 8.8359 122.3942 57.0969 30.8228 177.1918 92 V 4.5525 8.6451 122.6380 62.3564 34.8192 172.7805 93 L 5.0240 8.9025 130.0703 54.3235 43.0990 176.4322 94 K 4.9422 9.4405 125.2218 55.4627 33.4699 175.5634 95 T 5.2835 8.4200 116.1627 60.5985 72.1335 172.9860 96 M 4.8729 8.5761 118.9051 54.4682 36.0934 173.7644 97 W 5.3697 8.5446 122.5290 54.6884 32.3636 173.7968 98 L 5.2701 8.8158 120.2605 52.9078 45.0348 175.4613 99 L 5.3386 8.7148 125.1747 53.3889 44.5921 175.0199 100 R 4.8659 9.3768 124.4311 55.2150 31.4233 175.7007 101 S 4.8492 8.6450 118.9926 56.8663 64.9087 173.9847 102 S 4.3368 8.5496 118.1516 58.3797 62.8639 173.5253 103 V 4.4628 8.2709 118.6806 59.8365 34.9963 174.7694 104 N 4.7970 8.5348 116.9889 53.4196 38.9367 173.7450 105 D 4.7465 7.6035 116.5002 52.8579 44.3017 175.7300 106 I 3.9395 8.6997 119.9304 63.6982 37.3539 176.7203 107 G 3.9800 8.3005 108.1181 46.0360 0.0000 173.6224 108 D 4.7875 9.3082 119.0632 53.4230 42.8659 177.1487 109 D 4.2723 8.2920 119.9027 56.9536 41.1283 178.0614 110 W 4.6699 8.2617 114.7380 58.3420 27.9196 176.1615 111 K 4.1366 7.1004 116.2342 55.9225 32.9612 177.3208 112 A 4.1064 8.1276 123.4946 54.2726 18.3794 176.9610 113 T 5.0652 7.5595 112.6813 62.0493 72.3228 173.9370 114 R 4.8779 8.4370 124.8685 54.8613 33.1217 175.5976 115 V 4.1190 7.7879 119.0644 60.7681 34.6734 174.4490 116 G 3.3887 5.9763 107.5826 45.9642 0.0000 171.2995 117 I 4.6736 7.7071 113.9249 59.9945 40.8660 174.4123 118 N 4.9204 8.4103 114.1812 52.9982 42.8875 173.8461 119 I 5.2142 8.7320 123.9269 59.7253 40.0236 174.6396 120 F 5.5858 9.7168 125.9315 56.2477 42.3099 175.0093 121 T 5.4030 9.1025 111.2806 60.7921 72.4311 172.5902 122 R 4.8321 8.7245 119.0880 55.0301 32.5147 175.8829 123 L 4.7833 7.7239 120.2728 53.0418 44.0169 177.0168 124 R 4.1041 8.3363 118.1068 56.0699 30.9912 176.7559 125 T 3.6766 8.2655 113.4399 64.2346 68.4675 172.2462 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 K 8.31 4.21 0.00 1.74 1.94 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.52 7.81 4 C 7.90 4.17 0.00 3.28 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 5 S 10.46 4.84 0.00 3.79 3.72 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 6 L 8.42 4.00 0.00 1.25 0.91 0.12 -0.04 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 7 T 7.10 4.24 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 1.18 0.00 0.00 8 G 7.23 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 0.00 0.00 0.00 9 K 7.72 4.84 0.00 1.45 1.56 0.00 1.54 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.30 7.81 10 W 9.26 5.36 0.00 3.40 3.56 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 11 T 8.95 5.84 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 1.21 0.00 0.00 12 N 8.64 5.70 0.00 2.69 2.69 0.00 0.00 7.38 8.08 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 13 D 8.61 4.61 0.00 2.81 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 14 L 7.52 4.39 0.00 1.69 1.78 0.99 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.73 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 16 S 8.04 4.54 0.00 3.85 3.57 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 17 N 9.03 5.46 0.00 2.47 2.61 0.00 0.00 6.78 7.25 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 18 M 8.99 5.16 0.00 1.87 2.06 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.48 0.00 19 T 8.98 4.98 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 1.18 0.00 0.00 20 I 8.83 4.75 1.86 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.86 0.61 0.00 0.00 21 G 8.77 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.46 5.02 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 23 V 7.83 5.27 2.26 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 0.82 0.00 0.00 0.96 0.00 0.00 24 N 8.37 4.96 0.00 2.73 2.67 0.00 0.00 6.81 7.57 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 25 S 8.66 4.63 0.00 3.83 3.89 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 0.00 0.00 0.00 26 R 8.00 4.14 0.00 1.97 1.91 0.00 3.21 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 27 G 8.09 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 0.00 0.00 0.00 0.00 28 E 8.03 4.38 0.00 2.02 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 2.31 2.02 0.00 29 F 7.86 5.47 0.00 2.96 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 30 T 8.49 4.78 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 1.27 0.00 0.00 31 G 7.74 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 32 T 8.37 5.27 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 1.24 0.00 0.00 33 Y 10.46 4.98 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.01 5.05 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 1.22 0.00 0.00 35 T 9.20 5.12 4.78 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 1.21 0.00 0.00 36 A 8.54 4.56 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 37 V 7.36 4.58 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 0.92 0.00 0.00 38 T 8.08 4.56 4.35 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 1.19 0.00 0.00 39 A 8.28 4.58 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 40 T 7.63 4.31 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 1.36 0.00 0.00 41 S 8.25 4.60 0.00 3.97 3.89 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 0.00 0.00 0.00 42 N 7.48 5.02 0.00 2.72 2.89 0.00 0.00 7.32 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 43 E 8.76 3.89 0.00 2.04 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 2.27 0.00 44 I 7.89 2.00 1.55 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 -0.05 0.68 0.00 0.00 45 K 7.01 4.43 0.00 1.84 1.71 0.00 1.71 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.64 7.81 46 E 8.57 4.13 0.00 2.01 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 2.50 2.45 0.00 47 S 9.21 5.20 0.00 4.01 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 48 P 0.00 5.07 0.00 2.11 2.18 0.00 3.99 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 49 L 8.58 5.89 0.00 1.80 1.73 0.72 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.92 4.83 0.00 3.17 3.10 0.00 5.81 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 51 G 7.87 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 0.00 0.00 0.00 52 T 7.51 4.09 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 1.16 0.00 0.00 53 E 9.67 5.17 0.00 2.61 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 2.33 2.39 0.00 54 N 9.25 5.04 0.00 2.75 2.80 0.00 0.00 7.00 7.28 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 55 T 8.57 4.43 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 56 I 7.89 3.64 2.02 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 1.30 0.41 0.91 0.00 0.00 57 N 8.57 4.59 0.00 2.90 2.92 0.00 0.00 7.12 7.61 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 58 K 8.46 4.18 0.00 1.72 1.77 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.48 7.81 59 R 7.99 4.38 0.00 1.86 1.81 0.00 3.34 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.54 0.00 60 T 8.47 4.28 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 1.22 0.00 0.00 61 Q 7.65 4.99 0.00 1.80 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.14 0.00 62 P 0.00 4.63 0.00 2.18 2.31 0.00 3.79 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.98 0.00 63 T 8.34 5.02 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 1.13 0.00 0.00 64 F 8.89 5.52 0.00 3.33 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 65 G 9.11 5.10 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 0.00 66 F 8.17 5.39 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 67 T 9.30 5.08 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 1.22 0.00 0.00 68 V 8.83 4.28 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 0.00 0.00 -0.35 0.00 0.00 0.70 0.00 0.00 69 N 8.52 4.45 0.00 2.71 2.70 0.00 0.00 7.30 7.39 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 70 W 7.81 4.69 0.00 3.37 2.39 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 71 K 9.08 4.34 0.00 1.97 2.04 0.00 1.80 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.45 7.81 72 F 7.90 4.90 0.00 3.26 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 73 S 6.98 4.59 0.00 3.78 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 74 E 8.64 4.13 0.00 1.97 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 0.00 2.30 2.27 0.00 75 S 7.87 4.77 0.00 3.88 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 76 T 8.51 4.95 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 1.15 0.00 0.00 77 T 8.19 5.20 4.14 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 1.20 0.00 0.00 78 V 8.95 4.89 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 0.70 0.00 0.00 0.94 0.00 0.00 79 F 9.07 5.29 0.00 1.51 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.60 4.74 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 1.09 0.00 0.00 81 G 7.29 3.72 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 0.00 0.00 0.00 82 Q 7.69 4.84 0.00 1.94 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.86 0.00 0.00 0.00 0.00 0.00 1.56 2.09 0.00 83 C 9.10 5.25 0.00 3.04 2.94 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 84 F 9.34 5.25 0.00 3.17 2.89 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 0.00 0.00 0.00 85 I 8.82 4.31 1.96 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.91 0.98 0.00 0.00 86 D 8.88 4.59 0.00 3.16 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 87 R 8.37 4.10 0.00 1.98 2.06 0.00 3.10 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 88 N 8.06 4.39 0.00 2.77 2.94 0.00 0.00 7.09 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 89 G 7.93 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.60 4.55 0.00 1.92 1.98 0.00 1.54 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.62 7.81 91 E 8.84 4.81 0.00 2.13 2.45 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 2.58 2.47 0.00 92 V 8.65 4.55 2.24 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 1.05 0.00 0.00 1.15 0.00 0.00 93 L 8.90 5.02 0.00 1.87 1.88 0.11 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 94 K 9.44 4.94 0.00 2.03 1.88 0.00 1.37 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.40 7.81 95 T 8.42 5.28 4.69 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 1.62 0.00 0.00 96 M 8.58 4.87 0.00 1.99 1.81 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.26 0.00 97 W 8.54 5.37 0.00 2.68 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 0.00 0.00 0.00 98 L 8.82 5.27 0.00 1.59 1.58 0.89 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.71 5.34 0.00 1.82 1.78 1.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 100 R 9.38 4.87 0.00 2.09 2.05 0.00 2.85 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 101 S 8.65 4.85 0.00 3.85 3.77 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 0.00 102 S 8.55 4.34 0.00 3.87 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 0.00 103 V 8.27 4.46 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 0.71 0.00 0.00 0.93 0.00 0.00 104 N 8.53 4.80 0.00 2.65 2.78 0.00 0.00 6.65 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 0.00 105 D 7.60 4.75 0.00 2.73 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.70 3.94 1.89 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 1.36 0.72 0.92 0.00 0.00 107 G 8.30 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 0.00 0.00 0.00 108 D 9.31 4.79 0.00 2.78 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 0.00 109 D 8.29 4.27 0.00 2.75 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 0.00 110 W 8.26 4.67 0.00 3.48 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 0.00 111 K 7.10 4.14 0.00 1.11 0.74 0.00 0.87 0.00 0.00 0.69 0.00 0.00 2.50 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.49 0.80 7.81 112 A 8.13 4.11 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 0.00 113 T 7.56 5.07 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 1.23 0.00 0.00 114 R 8.44 4.88 0.00 2.07 2.03 0.00 3.12 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 115 V 7.79 4.12 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 0.51 0.00 0.00 0.66 0.00 0.00 116 G 5.98 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 0.00 0.00 0.00 117 I 7.71 4.67 1.99 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 1.42 0.84 0.92 0.00 0.00 118 N 8.41 4.92 0.00 3.48 2.91 0.00 0.00 6.67 7.14 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 0.00 119 I 8.73 5.21 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.79 1.08 0.00 0.00 120 F 9.72 5.59 0.00 2.93 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 0.00 121 T 9.10 5.40 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 1.40 0.00 0.00 122 R 8.72 4.83 0.00 1.57 1.54 0.00 3.07 0.00 0.00 2.84 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.52 0.00 123 L 7.72 4.78 0.00 1.43 1.51 0.88 0.96 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 0.00 124 R 8.34 4.10 0.00 1.88 1.93 0.00 3.16 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 125 T 8.27 3.68 4.20 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 1.18 0.00 0.00