NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3515 0.0000 0.0000 61.8131 31.4499 175.3436 3 K 3.6912 8.5169 123.7894 56.0932 32.6803 175.2154 4 K 4.1400 9.1127 127.2874 56.4137 33.7455 175.2583 5 V 4.8593 8.3572 126.9008 61.3875 33.5362 174.3382 6 L 4.8737 8.8022 126.3015 53.1494 46.0111 175.2729 7 T 4.9678 8.1459 115.3970 62.3393 72.1855 173.9785 8 G 4.2232 8.8320 112.5281 45.6219 0.0000 171.4701 9 V 4.9134 8.3148 118.7312 59.7107 34.4649 175.2895 10 V 4.3064 7.9825 122.2344 62.7681 32.1476 176.4375 11 V 4.4368 8.5156 119.9733 61.1079 33.3566 175.7905 12 S 4.7401 7.6876 116.0159 57.0826 65.8013 173.7161 13 D 4.9392 8.7874 123.2842 52.8469 40.6259 176.6781 14 K 4.0505 8.2190 116.5873 57.4395 31.5138 175.6831 15 M 4.6091 7.7119 119.2049 53.6744 34.7655 174.6209 16 Q 4.4759 8.4128 119.2452 55.4729 29.7095 176.2982 17 K 4.6720 9.2594 121.2728 56.5016 30.5253 174.6311 18 T 5.0489 7.4466 112.2805 62.1961 72.6915 173.9041 19 V 4.7393 8.5751 116.1425 60.0791 36.6400 174.5697 20 T 4.7244 8.6743 120.6810 62.4853 70.1560 173.8592 21 V 4.6854 9.2487 127.9350 60.9171 34.2843 173.8800 22 L 4.7395 8.6438 130.7181 54.0628 43.8603 175.4254 23 V 4.6192 8.8828 125.8780 61.1724 34.0100 174.6609 24 E 4.8451 8.8028 127.5355 56.1743 30.8714 176.6614 25 R 4.4352 8.6159 113.6199 55.7858 32.9734 174.9389 26 Q 4.6482 9.0663 123.3750 55.2122 30.3188 175.1774 27 F 4.8031 7.9862 112.9715 55.7300 41.3129 171.6965 28 P 4.3719 0.0000 0.0000 62.8815 32.0033 175.8088 29 H 3.9548 9.1462 125.7566 55.4854 30.1737 174.2731 30 P 4.4861 0.0000 0.0000 64.5573 31.5158 176.4481 31 L 4.4994 7.9380 118.0520 56.6591 44.0336 176.3192 32 Y 4.7968 8.0905 112.2849 57.5858 38.4642 175.7903 33 G 4.3478 8.0756 113.4402 45.7192 0.0000 174.3792 34 K 3.7838 7.6530 120.3252 56.3019 33.5364 176.0912 35 V 4.3332 8.2670 119.7962 60.2133 30.6414 174.7993 36 I 3.8824 7.8295 119.7275 60.1353 39.2382 175.1177 37 K 4.7508 8.6552 127.4053 55.2918 32.9714 175.3352 38 R 4.9193 8.5783 126.9356 54.8247 33.3373 175.5180 39 S 5.0443 8.3886 113.6459 57.0462 65.9043 173.2809 40 K 4.4726 8.9061 123.6142 54.4934 35.5219 174.8154 41 K 4.6917 8.1702 125.5906 54.9541 33.2228 174.4080 42 Y 4.4303 8.8733 126.0856 56.8032 39.6851 174.7968 43 L 5.1364 8.5887 123.0357 53.4167 43.6536 175.2423 44 A 5.0684 8.9068 126.1719 50.0471 22.8624 174.6170 45 H 4.5397 10.0044 122.3501 56.1348 31.1611 173.8774 46 D 4.8595 8.5167 127.7804 52.0709 41.9696 174.8411 47 P 4.4025 0.0000 0.0000 64.2668 32.0289 176.7697 48 E 4.4954 8.1265 117.3962 56.6509 30.9219 176.2870 49 E 4.4086 7.8935 114.3118 56.8587 26.6534 175.0705 50 K 4.1560 8.6060 121.4517 57.0525 33.9613 175.7535 51 Y 4.4750 8.0831 115.7640 56.2982 39.1854 174.8523 52 K 4.6037 8.8701 124.2239 53.8824 35.0707 175.1025 53 L 3.9096 8.2886 121.7161 57.6419 41.7220 176.9227 54 G 3.8275 8.9789 116.6011 46.1661 0.0000 172.0228 55 D 4.9007 7.9458 119.3728 51.7758 43.3478 176.3852 56 V 4.1939 8.3361 124.3683 63.5112 32.7150 175.3802 57 V 4.8362 9.1282 120.3467 59.8574 36.6421 173.8304 58 E 5.1167 8.9384 120.6795 54.9782 32.0498 175.6362 59 I 4.8712 8.6493 123.7425 59.4703 40.8723 174.3784 60 I 4.9593 8.6063 125.4712 58.6857 41.1900 173.6793 61 E 3.2901 9.2094 130.8849 57.1597 29.8161 176.1086 62 S 4.7571 8.1505 122.7155 56.1595 66.3965 173.9910 63 R 4.0467 8.2675 120.9168 55.0812 30.5151 174.2470 64 P 4.4150 0.0000 0.0000 63.4378 31.8055 176.1592 65 I 4.2055 7.8982 122.3031 62.2581 38.7948 175.3900 66 S 4.3946 7.3002 111.9079 57.1322 64.8645 174.6429 67 K 3.9090 8.4529 121.7338 59.8421 31.4290 175.2775 68 R 4.4968 8.8347 130.5165 56.7910 27.1399 176.1840 69 K 4.3831 8.0728 119.4655 56.7819 32.0701 177.5355 70 R 4.6933 8.7935 120.2791 55.4699 33.2073 174.6928 71 F 5.3159 8.3163 117.3154 55.7183 43.6646 173.7974 72 R 4.7784 8.6080 119.4854 54.3506 33.4035 176.0684 73 V 3.9000 8.0827 122.4420 62.6410 30.4435 175.6924 74 L 4.2461 8.7232 130.9512 57.6228 42.5302 176.4617 75 R 4.7084 7.5246 112.5262 55.5875 32.8845 172.4237 76 L 4.4356 8.6017 121.2020 54.7082 42.7835 174.7317 77 V 3.9763 8.8515 127.8129 62.8995 31.0096 175.2209 78 E 4.8364 8.3154 115.5152 54.6421 33.8988 175.7426 79 S 5.0175 8.5724 115.0790 57.2194 65.0748 174.3414 80 G 4.0650 8.3522 109.9492 45.5846 0.0000 174.7644 81 R 4.2541 7.3790 117.5891 55.7730 28.0666 176.2947 82 M 4.5602 8.0224 123.0054 56.2940 32.6012 176.8193 83 D 4.3646 7.9392 121.9930 56.4874 39.3214 178.3826 84 L 4.0166 7.6289 119.1457 57.5415 41.5153 179.6434 85 V 3.7325 7.7263 117.7190 66.4690 31.4940 176.9710 86 E 3.9168 8.6949 117.1233 59.9333 29.2819 180.1257 87 K 4.2613 8.2743 117.1526 59.7996 32.1642 178.3500 88 Y 4.0668 7.8587 118.5569 60.5912 38.7239 177.6946 89 L 3.7490 8.8512 120.7360 57.2518 41.5604 179.4916 90 I 3.6401 7.8777 120.2277 64.1749 37.1526 178.0363 91 R 3.7566 7.5897 118.2811 59.2875 29.8734 177.9011 92 R 2.9575 7.0549 117.9624 58.5723 30.3829 178.0684 93 Q 3.9050 7.4370 118.3865 58.6800 28.9250 177.4901 94 N 4.5601 8.2998 117.3062 55.5562 38.4661 176.6415 95 Y 4.4934 7.7697 118.8822 61.1010 37.3439 178.2898 96 Q 4.1675 7.9461 117.8664 57.8525 28.4906 177.6029 97 S 5.4415 7.5839 112.8846 57.8301 63.5280 174.4124 98 L 4.9327 7.7914 118.4094 55.4054 43.7844 176.8771 99 S 4.6858 8.0701 114.8400 58.1817 62.6255 175.3200 100 K 4.7176 8.6080 113.8863 55.5028 32.2456 176.2006 101 R 4.4038 8.2294 113.9039 57.1176 33.8082 174.6468 102 G 3.9699 7.7943 104.7554 44.5082 0.0000 172.2089 103 G 3.6221 7.6828 108.3101 45.3318 0.0000 170.0326 104 K 4.2557 8.0923 121.5595 54.6912 32.8007 176.9985 105 A 4.1753 8.5273 128.3055 52.5068 18.3859 176.7163 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 2 P 0.00 4.35 0.00 2.18 2.18 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.99 0.00 3 K 8.52 3.69 0.00 1.71 1.78 0.00 1.71 0.00 0.00 1.87 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.47 7.81 4 K 9.11 4.14 0.00 1.85 1.71 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.39 7.81 5 V 8.36 4.86 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 0.85 0.00 0.00 0.92 0.00 0.00 6 L 8.80 4.87 0.00 1.17 1.27 0.13 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.15 4.97 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 1.22 0.00 0.00 8 G 8.83 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 0.00 0.00 0.00 0.00 9 V 8.31 4.91 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 0.64 0.00 0.00 0.92 0.00 0.00 10 V 7.98 4.31 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 1.06 0.00 0.00 1.03 0.00 0.00 11 V 8.52 4.44 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 0.46 0.00 0.00 0.37 0.00 0.00 12 S 7.69 4.74 0.00 3.88 3.64 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 0.00 0.00 0.00 13 D 8.79 4.94 0.00 2.82 2.82 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 14 K 8.22 4.05 0.00 1.80 1.90 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.45 7.81 15 M 7.71 4.61 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 16 Q 8.41 4.48 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.09 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 17 K 9.26 4.67 0.00 1.98 1.92 0.00 1.66 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.37 7.81 18 T 7.45 5.05 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 1.30 0.00 0.00 19 V 8.58 4.74 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 0.81 0.00 0.00 0.97 0.00 0.00 20 T 8.67 4.72 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 21 V 9.25 4.69 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 0.99 0.00 0.00 0.87 0.00 0.00 22 L 8.64 4.74 0.00 1.52 1.36 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.88 4.62 2.27 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 0.94 0.00 0.00 1.14 0.00 0.00 24 E 8.80 4.85 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 2.33 2.32 0.00 25 R 8.62 4.44 0.00 1.86 2.02 0.00 2.72 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.74 0.00 26 Q 9.07 4.65 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 27 F 7.99 4.80 0.00 3.19 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 28 P 0.00 4.37 0.00 2.01 2.07 0.00 3.82 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 29 H 9.15 3.95 0.00 3.03 3.17 0.00 5.59 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.49 0.00 2.16 2.16 0.00 3.03 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.86 0.00 31 L 7.94 4.50 0.00 1.38 1.09 0.93 0.74 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 32 Y 8.09 4.80 0.00 2.68 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 33 G 8.08 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 0.00 0.00 0.00 0.00 34 K 7.65 3.78 0.00 1.84 1.72 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.50 7.81 35 V 8.27 4.33 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 0.75 0.00 0.00 0.91 0.00 0.00 36 I 7.83 3.88 1.76 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.78 0.82 0.00 0.00 37 K 8.66 4.75 0.00 1.80 1.79 0.00 1.78 0.00 0.00 2.01 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.49 7.81 38 R 8.58 4.92 0.00 2.11 1.93 0.00 3.45 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 39 S 8.39 5.04 0.00 3.84 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 40 K 8.91 4.47 0.00 1.72 1.50 0.00 1.37 0.00 0.00 0.71 0.00 0.00 2.30 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.37 0.99 7.81 41 K 8.17 4.69 0.00 1.70 1.60 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.23 1.29 7.81 42 Y 8.87 4.43 0.00 2.75 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 43 L 8.59 5.14 0.00 1.66 1.65 0.94 0.89 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 44 A 8.91 5.07 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 45 H 10.00 4.54 0.00 3.15 3.26 0.00 5.74 0.00 0.00 0.00 0.00 6.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.52 4.86 0.00 2.76 2.55 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 47 P 0.00 4.40 0.00 2.24 2.17 0.00 3.83 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 48 E 8.13 4.50 0.00 1.92 1.93 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 2.20 2.30 0.00 49 E 7.89 4.41 0.00 2.03 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 0.00 2.26 2.20 0.00 50 K 8.61 4.16 0.00 1.61 1.54 0.00 1.83 0.00 0.00 1.45 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.74 1.14 7.81 51 Y 8.08 4.47 0.00 2.98 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 52 K 8.87 4.60 0.00 1.69 1.75 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.47 7.81 53 L 8.29 3.91 0.00 1.62 1.62 0.99 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.98 3.83 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 0.00 0.00 0.00 55 D 7.95 4.90 0.00 2.69 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 56 V 8.34 4.19 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 0.93 0.00 0.00 0.93 0.00 0.00 57 V 9.13 4.84 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 0.83 0.00 0.00 0.78 0.00 0.00 58 E 8.94 5.12 0.00 1.85 1.79 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 2.20 2.24 0.00 59 I 8.65 4.87 1.62 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.72 0.65 0.00 0.00 60 I 8.61 4.96 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.34 0.95 0.00 0.00 61 E 9.21 3.29 0.00 1.96 1.77 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 2.06 1.88 0.00 62 S 8.15 4.76 0.00 3.71 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.27 4.05 0.00 1.72 1.77 0.00 3.38 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 64 P 0.00 4.41 0.00 2.05 1.96 0.00 3.65 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 65 I 7.90 4.21 1.85 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 1.09 0.29 0.84 0.00 0.00 66 S 7.30 4.39 0.00 3.92 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 67 K 8.45 3.91 0.00 1.74 1.80 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.47 7.81 68 R 8.83 4.50 0.00 1.93 2.36 0.00 3.45 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 69 K 8.07 4.38 0.00 1.93 1.83 0.00 1.67 0.00 0.00 1.79 0.00 0.00 3.11 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.42 7.81 70 R 8.79 4.69 0.00 1.88 1.57 0.00 3.14 0.00 0.00 3.38 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 71 F 8.32 5.32 0.00 2.85 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 72 R 8.61 4.78 0.00 1.76 1.81 0.00 3.16 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 73 V 8.08 3.90 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 -0.81 0.00 0.00 0.76 0.00 0.00 74 L 8.72 4.25 0.00 1.66 1.75 0.91 0.94 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 75 R 7.52 4.71 0.00 1.96 2.04 0.00 3.03 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 76 L 8.60 4.44 0.00 1.94 1.72 1.13 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.85 3.98 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 0.83 0.00 0.00 0.91 0.00 0.00 78 E 8.32 4.84 0.00 2.05 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 2.24 2.27 0.00 79 S 8.57 5.02 0.00 3.86 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 80 G 8.35 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 81 R 7.38 4.25 0.00 2.22 2.11 0.00 2.96 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 82 M 8.02 4.56 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.66 0.00 83 D 7.94 4.36 0.00 2.87 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 84 L 7.63 4.02 0.00 1.97 1.77 0.92 0.77 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 V 7.73 3.73 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 1.17 0.00 0.00 0.98 0.00 0.00 86 E 8.69 3.92 0.00 2.23 1.96 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 2.61 2.55 0.00 87 K 8.27 4.26 0.00 2.10 1.88 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.67 7.81 88 Y 7.86 4.07 0.00 3.12 3.05 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 89 L 8.85 3.75 0.00 1.89 1.66 0.96 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 90 I 7.88 3.64 1.93 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 1.37 0.45 0.84 0.00 0.00 91 R 7.59 3.76 0.00 1.83 1.79 0.00 3.24 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.78 0.00 92 R 7.05 2.96 0.00 1.27 1.45 0.00 2.89 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.47 0.00 93 Q 7.44 3.90 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.61 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 94 N 8.30 4.56 0.00 2.89 2.79 0.00 0.00 6.83 7.10 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 95 Y 7.77 4.49 0.00 3.04 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 96 Q 7.95 4.17 0.00 2.38 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 97 S 7.58 5.44 0.00 3.96 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 98 L 7.79 4.93 0.00 1.57 1.67 1.01 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.07 4.69 0.00 3.94 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 0.00 100 K 8.61 4.72 0.00 1.81 1.84 0.00 1.61 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.29 1.41 7.81 101 R 8.23 4.40 0.00 1.88 2.00 0.00 3.00 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.00 102 G 7.79 3.97 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 0.00 0.00 0.00 103 G 7.68 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.09 4.26 0.00 1.71 1.71 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.35 7.81 105 A 8.53 4.18 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