NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4708 8.2893 120.3513 55.4099 33.3949 174.3466 2 E 4.8093 8.4556 122.6423 54.1391 33.2572 172.8184 3 A 4.8148 9.0052 122.9103 49.9535 22.7016 176.5486 4 K 4.8618 8.5375 118.3139 55.4596 35.6931 174.3481 5 A 4.3563 8.5252 119.5587 52.9438 20.6522 174.9083 6 I 2.9701 7.7231 124.6886 61.2372 35.0504 173.3218 7 A 4.4643 9.3920 130.0957 50.6198 19.4712 176.0824 8 R 4.4573 8.4025 122.3523 56.4321 31.5062 176.1430 9 Y 3.6512 8.4011 118.4148 58.9062 35.0467 170.7141 10 V 3.3424 7.8118 121.0871 66.5125 31.7858 177.2051 11 R 4.1630 8.8480 114.4810 57.6166 26.9622 174.0879 12 I 4.6581 6.7375 115.5081 59.1782 42.0999 173.5077 13 S 4.3439 8.6600 118.4604 57.5286 62.9057 172.7185 14 P 4.0801 0.0000 0.0000 66.0423 31.3089 177.9532 15 R 3.9432 8.1329 116.7451 59.9244 29.6625 178.7186 16 K 4.1251 8.2589 117.4151 59.3754 32.4290 179.2113 17 V 3.8479 7.7440 117.9848 65.4820 31.5341 177.7987 18 R 3.9150 8.4568 118.5613 59.6547 29.7689 178.5008 19 L 3.9334 7.1772 115.5048 58.1581 41.9384 179.6403 20 V 3.9632 8.3034 111.7849 63.6636 31.9455 178.4710 21 V 3.5972 7.8554 117.5414 66.2112 30.7565 177.3850 22 D 4.3888 8.5000 118.8829 57.6492 40.4950 178.6633 23 L 4.0204 7.5136 118.1434 57.3235 41.7784 178.7699 24 I 4.3993 7.3513 109.1288 59.3196 38.3894 175.7626 25 R 3.7937 7.1941 121.9754 57.9553 30.2372 176.1327 26 G 3.9438 8.6591 114.9105 47.0181 0.0000 173.2840 27 K 4.7279 7.6992 116.7489 52.9515 36.2088 176.2157 28 S 4.3340 8.8231 115.8376 59.4119 63.6549 175.4202 29 L 3.8682 8.7261 127.9841 58.4111 41.7648 178.7966 30 E 3.9017 8.1601 118.7109 59.0606 29.7432 177.8063 31 E 3.9041 8.5906 119.3556 59.5054 29.6728 178.5646 32 A 3.9972 8.3177 120.8073 55.4364 18.3013 179.6821 33 R 3.8545 8.0832 116.1273 59.5705 29.9802 178.8413 34 N 4.3831 8.0140 114.4337 56.7488 38.9442 176.8777 35 I 3.8101 8.3529 120.9051 64.9644 37.2511 178.0059 36 L 3.9647 8.3087 119.0533 58.0663 41.3864 179.5547 37 R 3.7546 7.6234 117.2890 59.0144 30.0198 177.1875 38 Y 4.6708 7.8534 114.1073 57.8915 38.6191 175.3687 39 T 4.5119 7.7609 116.9500 62.1856 69.8816 175.5974 40 N 4.6853 8.4752 126.0064 51.4390 37.6565 173.1233 41 K 4.4642 7.6826 118.5549 54.6530 36.8738 176.5553 42 R 3.8414 8.8430 123.6615 59.5186 30.4543 178.5633 43 G 4.0018 8.5006 103.9591 48.0647 0.0000 174.6224 44 A 3.9672 7.8266 122.7570 56.0244 18.2405 178.6253 45 Y 3.9482 7.7200 114.2637 61.1669 38.8316 178.4753 46 F 4.1990 7.7693 117.3724 61.0837 39.2319 178.1130 47 V 3.6111 8.3161 117.4469 65.7728 31.2272 177.8372 48 A 3.9065 8.6374 121.0167 54.9987 18.2293 179.3544 49 K 3.6730 7.9511 118.4371 59.6663 32.1462 179.3599 50 V 3.5613 7.8564 119.3243 64.4803 31.4786 177.6787 51 L 3.8261 8.5079 121.8385 58.0128 41.8072 178.6295 52 E 3.8458 8.7894 119.2283 59.5333 29.6558 178.6280 53 S 4.0566 8.0237 112.8083 61.2492 62.3047 176.0321 54 A 3.8841 8.1148 123.3527 54.9896 18.2175 179.1984 55 A 3.8546 7.9004 118.7213 55.9262 18.5649 178.9590 56 A 3.5603 8.7783 114.6647 56.1421 18.1754 180.5882 57 N 3.9441 7.9430 111.9257 54.5250 39.3663 176.5056 58 A 3.6775 9.2517 118.8898 55.9354 18.2440 179.6305 59 V 3.4648 7.2884 115.0316 65.5545 32.1324 177.8387 60 N 4.2951 8.6784 116.4029 56.7331 39.1458 175.7447 61 N 4.6348 8.6399 115.6834 54.3522 39.3388 175.4531 62 H 4.6696 8.4681 115.4142 57.0800 29.6765 174.9847 63 D 4.5135 7.5465 112.4247 54.8486 37.1242 172.8212 64 M 4.4373 8.2009 128.1218 54.8867 35.1379 174.4349 65 L 3.7800 8.1170 118.7762 55.0981 38.0665 174.6873 66 E 3.6834 8.0062 122.0356 59.0190 30.6320 178.9015 67 D 4.4459 8.0308 119.0281 57.2747 41.2200 178.3879 68 R 4.3410 8.4970 116.7707 56.8383 31.2480 176.3473 69 L 5.0365 7.9410 118.9516 54.8655 43.2420 175.7304 70 Y 5.1052 9.2895 119.7575 55.7403 42.4921 174.7258 71 V 4.1426 8.3104 119.3236 61.3194 30.2528 176.1429 72 K 3.3825 7.9259 125.9469 58.4025 32.1133 175.6606 73 A 4.8853 8.2154 119.2981 50.7047 23.1961 173.8055 74 A 4.7240 7.8987 119.0230 51.2458 22.4133 175.2575 75 Y 4.6788 7.8410 115.3962 56.6711 41.5142 173.2593 76 V 5.1599 8.7304 113.4775 59.9347 35.2258 174.7734 77 D 4.8809 8.4414 121.6425 52.2957 45.4139 174.5561 78 E 4.3125 8.8546 123.8161 56.3574 30.2293 176.9220 79 G 3.9011 8.3102 115.7116 44.1646 0.0000 171.1054 80 P 4.4567 0.0000 0.0000 62.4649 31.8542 176.1277 81 A 4.3725 8.3476 123.0653 51.9149 19.7815 176.6533 82 L 4.4379 9.2140 121.3244 53.5505 43.2229 176.0613 83 K 4.8350 8.6193 124.2738 55.4346 33.2167 176.5305 84 R 4.7119 9.2282 124.1389 54.0861 33.9148 175.1560 85 V 4.2098 8.4384 123.0601 62.6830 32.8227 174.8367 86 L 4.8242 9.3709 130.3477 52.4746 44.5457 173.6664 87 P 4.7597 0.0000 0.0000 62.9987 32.5566 175.5733 88 R 4.8503 8.2768 119.4591 54.2111 34.6705 174.4811 89 A 4.1934 8.5506 121.5334 53.1900 18.8803 177.1675 90 R 3.9657 9.2813 115.1981 57.2678 28.3453 176.9564 91 G 3.8999 7.2742 100.6193 46.8948 0.0000 173.8602 92 R 3.9924 7.9368 119.2891 57.5920 31.5448 173.2878 93 A 3.7681 8.0152 131.4577 52.0490 15.2821 176.6432 94 D 4.9889 9.0569 121.3916 53.7881 43.6687 175.7651 95 I 4.7578 8.0983 114.3697 59.6228 39.0387 175.2673 96 I 4.1638 9.2028 129.1309 60.4981 38.9185 175.4983 97 K 4.8716 8.4154 125.1256 54.3443 33.2817 175.7631 98 K 4.0881 8.7391 125.7686 56.6279 32.7329 177.4776 99 R 4.6432 8.4822 124.4275 55.7057 31.3665 175.6218 100 T 4.8201 8.1767 113.2839 60.7159 71.0705 172.3796 101 S 4.8318 8.5553 120.2672 57.0786 67.1972 172.9985 102 H 4.8992 9.0564 119.7900 54.1554 30.2486 172.2875 103 I 4.2326 8.7493 125.0148 60.6970 38.7730 175.0956 104 T 4.9557 8.6393 122.9305 61.5603 72.0373 173.0725 105 V 4.5841 8.1837 125.3432 60.7767 35.1299 173.9064 106 I 4.9881 8.9175 120.9002 59.1004 40.5842 174.0442 107 L 5.3839 8.5449 126.8967 52.4265 43.9140 176.1839 108 G 4.3255 7.8427 109.5078 44.5449 0.0000 171.5134 109 E 4.7682 8.6317 118.7729 56.2946 30.9261 175.4109 110 K 3.6287 9.1890 125.3449 57.1656 31.1469 178.8890 111 H 4.8958 9.0117 118.2601 55.9681 29.9586 175.1381 112 G 3.2433 8.6651 101.0875 45.5236 0.0000 173.9941 113 K 4.2104 8.1044 126.6155 54.7708 32.1571 176.3672 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 M 8.29 4.47 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.61 0.00 2 E 8.46 4.81 0.00 2.03 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 2.13 2.34 0.00 3 A 9.01 4.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.54 4.86 0.00 1.64 1.68 0.00 1.50 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.25 1.36 7.81 5 A 8.53 4.36 1.18 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 0.00 0.00 6 I 7.72 2.97 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.42 0.85 0.00 0.00 7 A 9.39 4.46 1.18 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 0.00 0.00 8 R 8.40 4.46 0.00 1.81 1.36 0.00 3.22 0.00 0.00 2.77 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.51 0.00 9 Y 8.40 3.65 0.00 3.21 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 10 V 7.81 3.34 1.78 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 -0.53 0.00 0.00 0.81 0.00 0.00 11 R 8.85 4.16 0.00 1.99 2.22 0.00 3.25 0.00 0.00 3.20 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00 12 I 6.74 4.66 1.89 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.11 0.79 0.00 0.00 13 S 8.66 4.34 0.00 3.90 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 14 P 0.00 4.08 0.00 2.19 2.04 0.00 3.94 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.12 0.00 15 R 8.13 3.94 0.00 1.87 1.97 0.00 3.18 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 16 K 8.26 4.13 0.00 1.92 1.89 0.00 1.78 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.46 7.81 17 V 7.74 3.85 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 0.98 0.00 0.00 1.00 0.00 0.00 18 R 8.46 3.91 0.00 2.03 2.02 0.00 3.23 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 19 L 7.18 3.93 0.00 1.93 1.80 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.30 3.96 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 0.84 0.00 0.00 0.96 0.00 0.00 21 V 7.86 3.60 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 1.07 0.00 0.00 0.98 0.00 0.00 22 D 8.50 4.39 0.00 2.93 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 23 L 7.51 4.02 0.00 2.00 1.78 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.35 4.40 1.88 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 1.40 0.80 0.92 0.00 0.00 25 R 7.19 3.79 0.00 1.82 1.92 0.00 3.36 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 26 G 8.66 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 0.00 0.00 0.00 27 K 7.70 4.73 0.00 1.81 1.87 0.00 1.96 0.00 0.00 1.90 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.55 7.81 28 S 8.82 4.33 0.00 4.08 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 29 L 8.73 3.87 0.00 1.81 1.78 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.16 3.90 0.00 2.09 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 2.40 2.38 0.00 31 E 8.59 3.90 0.00 2.07 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 0.00 2.34 2.37 0.00 32 A 8.32 4.00 1.38 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 33 R 8.08 3.85 0.00 2.20 2.01 0.00 3.32 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 34 N 8.01 4.38 0.00 2.92 2.96 0.00 0.00 7.12 6.81 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 35 I 8.35 3.81 2.04 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 1.56 1.09 0.94 0.00 0.00 36 L 8.31 3.96 0.00 1.81 1.72 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.62 3.75 0.00 1.87 2.27 0.00 3.11 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.04 0.00 38 Y 7.85 4.67 0.00 3.02 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 39 T 7.76 4.51 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 40 N 8.48 4.69 0.00 2.69 2.76 0.00 0.00 7.01 6.68 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 41 K 7.68 4.46 0.00 1.80 1.65 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.35 7.81 42 R 8.84 3.84 0.00 1.85 2.00 0.00 3.26 0.00 0.00 3.48 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.61 0.00 43 G 8.50 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 44 A 7.83 3.97 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 45 Y 7.72 3.95 0.00 2.87 2.64 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 46 F 7.77 4.20 0.00 3.31 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 47 V 8.32 3.61 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 1.00 0.00 0.00 1.03 0.00 0.00 48 A 8.64 3.91 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 49 K 7.95 3.67 0.00 1.51 1.81 0.00 1.38 0.00 0.00 1.62 0.00 0.00 2.76 0.00 0.00 2.14 0.00 0.00 0.00 0.00 1.34 1.30 7.81 50 V 7.86 3.56 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 0.76 0.00 0.00 0.86 0.00 0.00 51 L 8.51 3.83 0.00 1.81 1.87 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.79 3.85 0.00 2.17 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 2.27 2.34 0.00 53 S 8.02 4.06 0.00 3.92 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 54 A 8.11 3.88 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 55 A 7.90 3.85 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 56 A 8.78 3.56 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 57 N 7.94 3.94 0.00 3.10 2.79 0.00 0.00 7.07 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 58 A 9.25 3.68 1.31 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 0.00 0.00 0.00 59 V 7.29 3.46 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 0.98 0.00 0.00 0.96 0.00 0.00 60 N 8.68 4.30 0.00 2.80 2.82 0.00 0.00 7.35 7.79 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 61 N 8.64 4.63 0.00 2.70 2.65 0.00 0.00 6.91 8.25 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 62 H 8.47 4.67 0.00 3.12 3.27 0.00 5.87 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.55 4.51 0.00 2.87 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 64 M 8.20 4.44 0.00 1.98 2.17 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.65 0.00 65 L 8.12 3.78 0.00 1.82 1.98 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.01 3.68 0.00 2.01 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 2.39 2.40 0.00 67 D 8.03 4.45 0.00 2.70 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 68 R 8.50 4.34 0.00 1.93 1.96 0.00 3.09 0.00 0.00 3.12 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 69 L 7.94 5.04 0.00 1.69 1.73 0.99 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 9.29 5.11 0.00 3.01 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 71 V 8.31 4.14 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 0.82 0.00 0.00 0.97 0.00 0.00 72 K 7.93 3.38 0.00 1.33 1.75 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.45 7.81 73 A 8.22 4.89 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 74 A 7.90 4.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Y 7.84 4.68 0.00 2.89 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 76 V 8.73 5.16 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 0.78 0.00 0.00 0.95 0.00 0.00 77 D 8.44 4.88 0.00 2.57 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 78 E 8.85 4.31 0.00 1.93 1.84 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 2.27 2.34 0.00 79 G 8.31 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.46 0.00 2.24 2.13 0.00 3.94 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 2.14 2.15 0.00 81 A 8.35 4.37 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 82 L 9.21 4.44 0.00 1.79 1.62 0.93 0.05 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 83 K 8.62 4.83 0.00 1.64 1.75 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.46 7.81 84 R 9.23 4.71 0.00 1.63 1.77 0.00 3.28 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 85 V 8.44 4.21 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 0.73 0.00 0.00 0.93 0.00 0.00 86 L 9.37 4.82 0.00 1.71 1.60 0.92 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.76 0.00 2.10 2.03 0.00 3.50 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 1.98 2.11 0.00 88 R 8.28 4.85 0.00 1.70 1.85 0.00 3.29 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 89 A 8.55 4.19 1.26 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 0.00 0.00 0.00 90 R 9.28 3.97 0.00 1.93 1.99 0.00 3.37 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 91 G 7.27 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 92 R 7.94 3.99 0.00 1.95 1.93 0.00 3.32 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 93 A 8.02 3.77 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 94 D 9.06 4.99 0.00 2.59 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.10 4.76 1.87 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 1.34 0.61 0.91 0.00 0.00 96 I 9.20 4.16 2.00 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 1.23 0.68 0.91 0.00 0.00 97 K 8.42 4.87 0.00 1.61 1.76 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.43 7.81 98 K 8.74 4.09 0.00 1.71 1.78 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.58 7.81 99 R 8.48 4.64 0.00 1.69 1.98 0.00 3.15 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 100 T 8.18 4.82 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 1.32 0.00 0.00 101 S 8.56 4.83 0.00 3.66 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 0.00 102 H 9.06 4.90 0.00 3.07 3.10 0.00 5.62 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.75 4.23 1.84 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 1.20 0.81 0.88 0.00 0.00 104 T 8.64 4.96 3.43 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 0.66 0.00 0.00 105 V 8.18 4.58 1.97 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 0.93 0.00 0.00 0.84 0.00 0.00 106 I 8.92 4.99 1.77 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.61 0.80 0.00 0.00 107 L 8.54 5.38 0.00 1.51 1.52 0.79 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 108 G 7.84 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.63 4.77 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 2.28 2.32 0.00 110 K 9.19 3.63 0.00 1.76 1.51 0.00 0.99 0.00 0.00 0.83 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 1.35 7.81 111 H 9.01 4.90 0.00 3.21 3.02 0.00 5.57 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 0.00 112 G 8.67 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 0.00 113 K 8.10 4.21 0.00 1.77 1.56 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.27 0.97 7.81