NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.3280 8.2549 117.2753 56.2666 31.1045 173.1727 3 H 4.2549 8.0547 113.5370 54.4714 31.2148 170.7815 4 L 4.0963 8.9014 135.0000 55.4555 42.7865 175.9758 5 K 4.5809 9.5439 120.8642 54.2637 33.9579 176.2604 6 S 5.6914 7.1395 123.6488 58.4218 65.6519 174.4240 7 G 4.1023 8.3547 116.9728 44.3776 0.0000 173.8557 8 R 3.8202 9.7853 126.0159 54.6181 28.9952 173.5447 9 K 4.4484 7.8004 122.9943 55.3778 35.7348 177.4366 10 L 4.7266 7.6220 119.8596 53.6940 41.8271 177.4593 11 N 4.1454 9.9571 127.4309 54.5871 39.5485 171.4204 12 R 4.1682 8.4472 123.5196 56.8021 30.6320 176.8334 13 H 4.6363 8.2888 117.0133 55.4437 31.3479 175.2145 14 S 3.5722 8.7741 110.1948 62.3353 62.2781 175.3381 15 S 4.1805 8.3911 119.1197 61.3414 63.0891 176.2874 16 H 4.0943 8.0274 121.8888 59.0850 29.8013 176.8948 17 R 3.6957 7.7573 119.8658 59.0954 29.8728 178.4228 18 L 3.3910 7.3581 119.2223 58.3064 42.0153 178.8680 19 A 3.9771 7.8263 120.2983 54.9687 18.1412 179.3830 20 L 3.8229 8.1745 119.1166 58.5864 42.2472 178.5852 21 Y 3.9058 8.2748 116.5313 61.3570 37.7073 178.8997 22 R 4.2188 8.0404 118.6756 59.5629 30.1795 179.0445 23 N 4.3441 8.2292 116.0029 56.6031 38.5705 177.6275 24 Q 4.0073 8.7959 119.5255 58.6371 28.7316 178.7178 25 A 3.9950 8.7145 122.1879 55.2268 17.9684 179.6131 26 K 3.8596 8.1984 116.9698 59.9252 32.0242 179.2745 27 S 4.1270 8.1008 112.2817 59.7944 63.2209 175.0831 28 L 4.5242 7.5462 122.9365 56.0435 42.7757 177.1625 29 L 4.3520 8.2072 116.2950 55.4642 41.4539 176.9044 30 T 4.5803 7.2950 111.9055 61.8946 68.2726 173.7236 31 H 4.8247 8.1851 113.8560 55.9944 33.2888 173.2074 32 G 4.3789 8.7341 110.5024 45.2520 0.0000 173.2864 33 R 5.0699 7.3240 116.6728 54.5092 32.8144 175.9331 34 I 4.4910 8.0649 120.0869 60.7141 42.3658 173.7060 35 T 5.0080 8.6220 123.8628 62.4085 70.2653 173.5395 36 T 4.7043 7.9497 117.4288 60.8081 72.4710 173.4532 37 T 4.6262 7.8798 109.3084 61.1691 70.0181 175.0853 38 V 3.4889 7.9234 121.2147 66.3904 30.7847 176.6370 39 P 4.2117 0.0000 0.0000 65.6330 31.2331 178.8768 40 K 3.9891 7.6538 114.9572 58.5580 32.1098 178.9671 41 A 4.1385 7.5723 121.3363 54.7546 18.6696 179.6167 42 K 3.9398 8.0379 115.1452 58.4829 32.0933 177.4897 43 E 4.3504 7.6222 118.0729 56.8512 31.1077 177.6181 44 L 3.5279 7.7413 120.9074 58.3863 42.0314 177.8594 45 R 3.8329 8.4447 114.0811 59.3352 28.6843 178.5060 46 G 3.9912 7.9473 104.5562 47.4127 0.0000 174.4257 47 F 4.2698 7.9239 123.1054 60.5668 39.3914 177.1876 48 V 3.4583 8.3155 118.4678 65.8732 30.9765 177.3215 49 D 3.8898 8.4510 118.3337 57.9585 40.6382 178.4308 50 H 3.8765 8.2878 118.1112 59.6213 29.7428 177.7616 51 L 3.8622 7.2480 119.8817 57.5208 41.4449 179.3437 52 I 3.7523 7.8448 120.1176 64.6590 37.0056 177.8538 53 H 3.7942 7.9063 117.3742 58.7463 29.5347 176.2656 54 L 4.2931 7.5006 118.1779 56.8176 41.5696 178.7094 55 A 4.4726 9.0147 122.5706 54.9025 18.0803 179.3880 56 K 3.7454 8.2241 116.0542 59.7210 32.3925 177.6285 57 R 4.2618 8.6460 112.8278 57.2274 29.8204 179.0052 58 G 2.9496 8.3076 109.5815 47.0077 0.0000 175.0862 59 D 4.6415 8.3228 117.9324 51.3659 41.0135 176.6575 60 L 3.3921 7.5203 118.7463 58.0046 43.6708 178.4838 61 H 3.9623 8.4241 116.8666 59.6628 30.1355 177.1082 62 A 4.1858 8.1512 121.7518 55.5053 18.1766 178.8792 63 R 4.4181 8.3032 117.4793 59.5534 30.2014 178.4996 64 R 3.9469 8.0528 116.8249 59.6711 30.0522 178.6433 65 L 3.9321 8.2504 119.0034 57.9452 42.2880 178.6816 66 V 3.7960 7.8569 117.9377 65.1170 31.3873 177.5505 67 L 4.0493 8.5273 119.8934 58.3171 41.8250 178.8580 68 R 3.9338 7.5516 117.2397 59.6291 30.2909 176.4599 69 D 4.2510 8.1807 118.3627 55.4589 40.4685 176.0716 70 L 3.9946 8.3818 133.9252 55.2996 42.0255 177.0040 71 Q 4.1695 8.6815 125.0530 58.7730 29.3246 176.7625 72 D 4.3593 8.0575 115.4035 55.0714 41.5796 176.2594 73 V 3.9322 8.3738 124.8267 65.0536 32.4722 177.8413 74 K 4.0208 8.0963 120.1167 58.9014 31.2211 178.0603 75 L 4.2083 7.6349 120.1368 56.8661 41.9228 178.7121 76 V 3.8396 7.3938 119.1802 64.4971 31.8233 178.5504 77 R 4.0589 7.9193 118.2813 58.8151 30.1872 178.5074 78 K 4.0995 7.8248 117.6784 58.4916 32.2312 178.4053 79 L 4.1277 7.2056 117.4853 57.7050 41.9892 178.2653 80 F 4.4489 8.1185 116.9305 60.1239 39.7419 177.5238 81 D 4.8217 8.2356 117.7900 54.1312 40.7834 176.2624 82 E 4.8806 7.8765 125.6696 57.1346 33.9584 178.1194 83 I 4.1832 6.9912 117.3481 62.3475 38.5142 177.9732 84 A 4.0033 8.0344 123.5270 54.7491 18.5765 177.5555 85 P 4.2740 0.0000 0.0000 65.8677 31.4885 178.1381 86 R 3.8307 7.0617 116.2577 58.4718 30.9223 176.8062 87 Y 3.9248 8.5981 113.1047 56.4340 38.4606 178.3343 88 R 4.4764 9.3440 128.4127 58.3687 31.2124 175.6081 89 D 4.4970 9.3253 115.4617 55.1363 41.6402 176.4238 90 R 4.1006 7.8110 119.2145 55.4481 29.7786 175.8892 91 Q 4.4843 8.6790 126.1616 56.1301 28.3331 174.2619 92 G 4.0476 10.1094 108.7242 44.6689 0.0000 173.3914 93 G 3.8610 8.2339 103.4192 46.7808 0.0000 172.5096 94 Y 4.7345 8.3059 123.5445 57.5217 38.7232 175.1958 95 T 4.8953 7.7687 112.6095 60.7695 70.7685 172.6509 96 R 4.7802 8.8372 126.4680 54.6711 33.3496 175.1606 97 V 5.5120 8.1735 116.2473 58.7192 35.0563 174.9021 98 L 4.8436 8.4432 125.4005 52.4967 45.1865 175.7750 99 K 4.6594 8.7170 124.0484 56.2566 33.3741 177.0289 100 L 4.3966 8.2108 125.5822 54.2814 43.1187 175.7920 101 A 4.6936 8.1150 122.5841 51.6724 21.3281 175.8887 102 E 3.6771 8.2346 111.6696 62.3898 27.2855 178.4212 103 R 3.3056 7.5185 118.7495 55.4351 32.0049 179.8018 104 R 4.2037 8.1680 130.5239 56.5859 32.2569 173.5155 105 R 4.6818 8.6705 126.0325 55.1510 27.6687 175.8693 106 G 4.0796 7.7209 118.5552 45.4418 0.0000 170.3455 107 D 4.3518 8.0176 118.4748 52.6103 41.4251 175.7471 108 G 4.0106 8.4324 106.9332 46.2994 0.0000 173.2426 109 A 4.1745 9.3856 123.3652 50.7335 19.2182 176.7001 110 P 4.5458 0.0000 0.0000 62.7730 32.8391 175.3777 111 L 5.2013 8.5291 120.7172 53.3294 45.3012 175.3860 112 A 5.0261 8.5327 121.9466 50.5258 23.1662 174.0495 113 L 5.0274 8.4909 116.7485 53.8310 45.5166 176.3793 114 V 4.9095 8.9868 120.0480 59.7736 33.9278 174.3254 115 E 5.0012 8.9696 126.8458 54.0292 32.6932 176.2410 116 L 4.3999 8.9370 123.8538 54.5676 42.0062 177.9984 117 V 2.9768 8.1649 117.9489 62.1651 32.0617 172.8267 118 E 4.6930 8.7383 117.8731 56.2360 30.0060 176.2201 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 R 8.25 4.33 0.00 1.92 2.00 0.00 2.97 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.71 0.00 3 H 8.05 4.25 0.00 3.26 3.09 0.00 5.66 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.90 4.10 0.00 1.60 1.67 0.93 0.50 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 5 K 9.54 4.58 0.00 1.90 1.75 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.38 7.81 6 S 7.14 5.69 0.00 3.93 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 7 G 8.35 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 0.00 0.00 0.00 8 R 9.79 3.82 0.00 1.88 2.21 0.00 3.32 0.00 0.00 3.29 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.49 0.00 9 K 7.80 4.45 0.00 1.88 1.82 0.00 1.56 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.62 1.56 7.81 10 L 7.62 4.73 0.00 1.58 0.80 0.88 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 11 N 9.96 4.15 0.00 2.84 2.80 0.00 0.00 6.96 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 12 R 8.45 4.17 0.00 2.07 2.05 0.00 3.27 0.00 0.00 3.40 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 13 H 8.29 4.64 0.00 3.35 3.44 0.00 5.69 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 14 S 8.77 3.57 0.00 3.89 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 15 S 8.39 4.18 0.00 4.09 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 0.00 16 H 8.03 4.09 0.00 2.94 3.38 0.00 5.88 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 17 R 7.76 3.70 0.00 1.85 1.40 0.00 3.07 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 18 L 7.36 3.39 0.00 1.52 1.72 0.90 0.91 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 19 A 7.83 3.98 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 20 L 8.17 3.82 0.00 1.80 2.09 0.92 1.02 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 21 Y 8.27 3.91 0.00 2.48 1.43 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 22 R 8.04 4.22 0.00 1.93 2.08 0.00 3.16 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.97 0.00 23 N 8.23 4.34 0.00 3.07 2.86 0.00 0.00 7.02 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 24 Q 8.80 4.01 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 25 A 8.71 4.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.20 3.86 0.00 1.98 1.88 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.72 7.81 27 S 8.10 4.13 0.00 4.03 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 28 L 7.55 4.52 0.00 1.69 1.81 0.96 1.08 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 29 L 8.21 4.35 0.00 1.76 1.65 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.29 4.58 4.30 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 0.91 0.00 0.00 31 H 8.19 4.82 0.00 3.26 3.21 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.73 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 0.00 0.00 0.00 0.00 33 R 7.32 5.07 0.00 1.70 1.85 0.00 3.24 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 34 I 8.06 4.49 2.02 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 1.26 0.81 0.92 0.00 0.00 35 T 8.62 5.01 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 1.25 0.00 0.00 36 T 7.95 4.70 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 1.20 0.00 0.00 37 T 7.88 4.63 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 38 V 7.92 3.49 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 1.10 0.00 0.00 0.95 0.00 0.00 39 P 0.00 4.21 0.00 2.19 2.08 0.00 3.65 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 2.11 2.17 0.00 40 K 7.65 3.99 0.00 1.65 2.01 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.46 7.81 41 A 7.57 4.14 1.37 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 0.00 0.00 42 K 8.04 3.94 0.00 1.72 1.88 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.38 7.81 43 E 7.62 4.35 0.00 1.99 1.70 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 2.11 2.06 0.00 44 L 7.74 3.53 0.00 1.77 1.69 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.44 3.83 0.00 2.04 2.04 0.00 3.04 0.00 0.00 3.32 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 46 G 7.95 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 0.00 0.00 0.00 47 F 7.92 4.27 0.00 2.93 3.12 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 48 V 8.32 3.46 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 0.98 0.00 0.00 0.87 0.00 0.00 49 D 8.45 3.89 0.00 2.75 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.29 3.88 0.00 3.09 3.18 0.00 5.78 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.25 3.86 0.00 1.58 1.50 0.05 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.84 3.75 1.83 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 1.46 1.03 0.99 0.00 0.00 53 H 7.91 3.79 0.00 2.83 3.18 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.50 4.29 0.00 1.97 1.69 0.75 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 55 A 9.01 4.47 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 0.00 0.00 56 K 8.22 3.75 0.00 1.75 1.95 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.52 1.55 7.81 57 R 8.65 4.26 0.00 1.89 2.18 0.00 2.84 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.87 0.00 58 G 8.31 2.95 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 59 D 8.32 4.64 0.00 2.78 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 60 L 7.52 3.39 0.00 1.72 1.57 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 61 H 8.42 3.96 0.00 3.22 3.31 0.00 5.73 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.15 4.19 1.61 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 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.30 4.42 0.00 1.81 2.09 0.00 3.12 0.00 0.00 3.23 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.24 0.00 64 R 8.05 3.95 0.00 2.03 1.99 0.00 3.19 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 65 L 8.25 3.93 0.00 1.54 1.79 0.90 1.03 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 66 V 7.86 3.80 2.25 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 0.78 0.00 0.00 0.86 0.00 0.00 67 L 8.53 4.05 0.00 1.80 1.72 1.02 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.55 3.93 0.00 2.03 1.95 0.00 3.32 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 69 D 8.18 4.25 0.00 2.69 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 70 L 8.38 3.99 0.00 1.59 1.68 0.84 0.87 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 71 Q 8.68 4.17 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 72 D 8.06 4.36 0.00 2.67 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.37 3.93 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 0.94 0.00 0.00 0.95 0.00 0.00 74 K 8.10 4.02 0.00 1.92 1.79 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.56 7.81 75 L 7.63 4.21 0.00 1.80 1.62 0.89 0.88 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 76 V 7.39 3.84 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 0.99 0.00 0.00 0.83 0.00 0.00 77 R 7.92 4.06 0.00 1.92 2.08 0.00 3.17 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.92 0.00 78 K 7.82 4.10 0.00 1.88 1.80 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.61 7.81 79 L 7.21 4.13 0.00 1.75 1.48 0.52 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 80 F 8.12 4.45 0.00 3.10 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 81 D 8.24 4.82 0.00 2.86 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 82 E 7.88 4.88 0.00 1.96 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 0.00 2.08 2.19 0.00 83 I 6.99 4.18 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.22 1.15 0.00 0.00 84 A 8.03 4.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.27 0.00 2.04 2.16 0.00 3.72 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 86 R 7.06 3.83 0.00 1.70 1.58 0.00 3.11 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.78 0.00 87 Y 8.60 3.92 0.00 2.84 2.34 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 88 R 9.34 4.48 0.00 1.94 2.01 0.00 3.38 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 89 D 9.33 4.50 0.00 2.78 2.68 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 90 R 7.81 4.10 0.00 1.74 1.67 0.00 3.00 0.00 0.00 3.38 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 91 Q 8.68 4.48 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.28 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 92 G 10.11 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 93 G 8.23 3.86 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 0.00 0.00 0.00 94 Y 8.31 4.73 0.00 2.43 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 0.00 0.00 0.00 0.00 95 T 7.77 4.90 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 1.23 0.00 0.00 96 R 8.84 4.78 0.00 1.95 1.75 0.00 3.10 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 97 V 8.17 5.51 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 0.91 0.00 0.00 0.93 0.00 0.00 98 L 8.44 4.84 0.00 1.55 1.53 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.72 4.66 0.00 1.86 1.83 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.41 7.81 100 L 8.21 4.40 0.00 1.53 1.66 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 101 A 8.11 4.69 1.24 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 0.00 102 E 8.23 3.68 0.00 2.16 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 2.18 2.31 0.00 103 R 7.52 3.31 0.00 1.88 1.46 0.00 3.63 0.00 0.00 3.15 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 104 R 8.17 4.20 0.00 1.93 1.98 0.00 3.15 0.00 0.00 3.75 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 105 R 8.67 4.68 0.00 1.84 1.89 0.00 3.32 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 106 G 7.72 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 0.00 0.00 0.00 107 D 8.02 4.35 0.00 2.73 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 0.00 108 G 8.43 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 0.00 0.00 0.00 109 A 9.39 4.17 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 0.00 110 P 0.00 4.55 0.00 2.12 2.18 0.00 3.65 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 111 L 8.53 5.20 0.00 1.63 1.61 1.01 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 112 A 8.53 5.03 1.20 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 0.00 0.00 113 L 8.49 5.03 0.00 1.78 1.52 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.99 4.91 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 0.74 0.00 0.00 0.96 0.00 0.00 115 E 8.97 5.00 0.00 2.02 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 2.22 2.39 0.00 116 L 8.94 4.40 0.00 1.63 1.82 0.97 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.16 2.98 2.18 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 0.94 0.00 0.00 1.00 0.00 0.00 118 E 8.74 4.69 0.00 1.99 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 0.00 1.98 2.01 0.00