NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8883 8.3544 109.7344 45.4030 0.0000 172.6415 2 S 4.4297 8.4482 115.8544 56.6529 64.2198 172.1813 3 S 3.6320 9.1118 121.7464 56.8480 61.6652 170.7932 4 G 4.2106 7.6375 114.0233 45.0014 0.0000 173.6133 5 S 4.2889 8.0806 123.2963 56.8004 61.5991 172.8270 6 S 3.9739 8.5506 119.1217 58.1719 62.5612 175.2715 7 G 3.7609 8.7099 114.5217 44.7621 0.0000 171.3805 8 G 4.4586 9.3741 118.1805 46.0253 0.0000 172.6396 9 K 3.8268 8.4916 126.1075 56.8443 29.6262 175.6815 10 L 4.7962 7.2367 113.1229 52.5661 45.9170 176.6814 11 S 4.2304 8.6372 116.1739 58.2247 62.9162 174.8041 12 E 3.8919 8.7456 124.1192 59.9434 29.0157 178.9276 13 H 4.5578 7.9420 115.6647 58.1244 29.4765 176.9711 14 L 3.8412 7.9792 120.4550 58.1618 41.2575 179.6088 15 R 3.8559 7.8162 114.5197 59.9104 29.4353 177.5763 16 Y 4.0294 8.3847 120.4768 60.2068 38.7639 177.1342 17 C 4.0877 8.1496 117.2309 63.3801 28.0367 175.5659 18 D 4.0613 8.1312 119.9577 57.2241 40.6614 179.1907 19 S 4.0753 7.8201 114.7604 61.6306 62.9610 176.3772 20 I 3.6961 7.6238 124.2775 63.9181 36.6842 177.9258 21 L 4.2168 8.0304 120.7232 58.0405 42.0281 178.8208 22 R 3.9502 7.3975 113.3729 59.0697 29.3690 178.2659 23 E 4.1377 8.4134 120.2186 59.5335 29.6174 178.4942 24 M 4.4111 7.7678 116.4035 57.2979 32.0654 177.1839 25 L 5.0070 7.4960 120.2895 53.2854 43.9601 175.9743 26 S 4.8402 7.3857 112.6256 56.4240 64.0700 174.9796 27 K 4.0134 8.6734 125.5216 58.9223 31.7358 179.3430 28 K 4.0399 7.5031 119.5897 59.8553 32.5216 178.1862 29 H 3.7543 7.8934 114.2951 56.8195 28.8604 176.9691 30 A 3.6457 7.8813 123.5082 55.0270 17.8693 179.1364 31 A 4.0662 7.6752 118.7783 55.1287 18.3499 177.7311 32 Y 4.6749 6.9706 108.6737 56.5934 38.7138 175.6193 33 A 4.8360 7.9120 122.8621 51.8364 20.4422 178.6555 34 W 3.2364 8.2495 114.9128 58.0816 28.5085 176.8137 35 P 3.1203 0.0000 0.0000 64.0954 30.7818 176.1999 36 F 4.9241 7.8458 116.1801 57.4756 39.9169 176.5860 37 Y 4.5540 8.9476 120.3178 58.3978 39.3495 176.3690 38 K 4.8240 7.8978 117.4634 53.5107 34.5952 174.3699 39 P 4.5532 0.0000 0.0000 62.3419 32.4375 175.2616 40 V 4.0784 8.0318 116.7830 61.1673 33.7955 174.3159 41 D 4.6826 8.3082 126.1172 51.8373 41.8184 175.3997 42 A 3.9813 8.6776 129.6804 55.2545 18.4466 178.6240 43 E 3.9996 8.1966 113.6512 59.6758 29.9112 178.3035 44 A 4.0885 7.9754 121.0835 55.3072 18.6627 178.3485 45 L 4.2407 8.0877 114.5511 55.0766 42.1644 176.6290 46 E 4.5023 8.2721 117.8581 56.0637 29.9714 176.6214 47 L 4.1349 7.8308 118.8161 55.5113 42.0444 177.0970 48 H 4.6639 7.9434 115.2618 54.9284 29.9796 173.6400 49 D 4.7915 8.6122 127.8666 54.4901 37.8206 174.8916 50 Y 4.3337 7.5589 121.0399 60.7334 38.8657 175.8752 51 H 4.2102 7.8242 118.9901 58.4239 29.2315 176.6680 52 D 4.5426 8.2238 119.6155 57.9348 40.4277 179.4286 53 I 3.9620 7.4451 118.5687 63.2385 38.0399 176.8621 54 I 4.1430 7.5657 125.7258 59.4215 36.6813 176.7900 55 K 3.8681 8.4137 125.3166 59.0024 32.1784 178.2431 56 H 4.7438 7.2724 116.2960 52.7758 27.5513 172.2361 57 P 4.5080 0.0000 0.0000 63.7636 32.2523 175.9594 58 M 4.8365 8.0677 117.3361 54.9451 35.4809 173.4009 59 D 4.7470 8.1139 117.5548 51.9628 45.6654 176.5280 60 L 3.8629 8.2197 121.3034 58.6289 41.5326 180.1239 61 S 4.0764 8.1978 113.9932 62.3707 62.7432 176.9926 62 T 3.8518 7.9330 118.0299 66.4812 68.1891 176.5482 63 V 3.9763 7.7989 120.8364 65.8505 31.4339 177.2048 64 K 3.8935 8.3815 118.6187 59.6884 31.8906 178.3699 65 R 3.9043 8.0635 117.5395 59.5378 30.2024 179.0650 66 K 3.7735 7.9826 117.6222 59.7757 31.9119 179.1757 67 M 4.3877 8.6037 118.5950 58.7076 31.9142 178.0158 68 D 4.5414 8.6095 119.1763 56.7515 40.9914 177.7662 69 G 3.9913 7.9128 104.0506 43.7212 0.0000 173.4562 70 R 3.9148 7.5985 116.8680 56.6053 28.5108 177.8528 71 E 3.9803 8.1280 119.1419 59.3953 29.7263 177.8796 72 Y 4.4581 7.5743 117.6604 57.0323 38.3934 174.9586 73 P 4.3764 0.0000 0.0000 65.4629 31.9058 175.7672 74 D 4.6279 7.7598 116.9812 51.3405 43.0027 175.5796 75 A 4.1827 8.6513 120.3651 55.4239 18.2176 179.4892 76 Q 4.1969 8.4091 116.2555 59.3122 28.7610 179.2496 77 G 3.8276 7.9472 105.4511 47.8714 0.0000 175.2561 78 F 2.3424 7.9238 122.8079 60.3927 39.3552 176.8855 79 A 3.7065 8.5306 120.3762 55.1249 18.2768 178.8921 80 A 3.8253 8.2614 119.3663 55.7736 18.3382 179.2006 81 D 4.2626 7.6666 116.4687 57.7078 40.7790 179.4541 82 V 3.0928 6.8361 117.5351 66.0797 31.3904 178.0282 83 R 3.9799 7.7615 117.5033 59.2044 29.8994 178.6448 84 L 3.8694 7.7043 119.4959 58.5346 42.1666 178.4793 85 M 3.7307 7.6374 118.0524 59.2486 31.9961 177.9887 86 F 4.1529 7.6504 116.3469 60.2316 39.0664 177.8938 87 S 4.3651 8.4424 114.2749 62.0860 62.7705 176.9109 88 N 4.3919 8.5127 119.3810 56.4942 38.2365 176.9483 89 C 4.1399 7.8078 114.3172 61.9687 29.5209 175.5340 90 Y 4.4232 8.1306 118.4260 59.7687 37.1396 177.5747 91 K 4.1595 7.6178 120.0192 59.3674 32.8088 177.1998 92 Y 4.2196 8.6326 119.3011 60.3639 39.1162 176.0555 93 N 4.2357 7.8069 119.0923 52.3351 39.6338 173.6654 94 P 4.5473 0.0000 0.0000 61.6581 32.2078 175.1518 95 P 4.5177 0.0000 0.0000 64.3327 31.1894 176.4507 96 D 4.8071 7.8119 117.4987 54.2899 41.9550 175.4381 97 H 4.3914 8.1499 121.7776 55.2815 30.6352 175.6257 98 E 4.0105 8.9239 126.0225 59.7420 29.2178 179.4031 99 V 3.5178 8.1049 119.6332 64.8007 30.5065 178.3124 100 V 3.6453 7.9162 118.4105 65.9438 31.1471 177.9097 101 A 4.1188 8.1473 119.8462 55.0135 18.3197 179.4567 102 M 4.1755 7.9369 116.8063 58.5122 32.2488 178.1307 103 A 4.3253 8.2815 121.3382 55.6755 18.4937 179.4696 104 R 4.1326 7.7148 116.9210 59.0290 29.8010 179.0661 105 K 3.7370 7.6956 117.8207 59.5950 31.8246 178.9216 106 L 3.9964 8.2589 120.3008 58.2286 42.2450 178.3197 107 Q 3.4235 7.8524 119.0307 59.3767 28.5645 177.8467 108 D 4.3237 8.3884 119.0459 57.6879 41.1149 178.6830 109 V 3.6834 7.3602 118.1728 65.7693 31.0834 177.8362 110 F 4.3662 8.6085 120.5623 60.9746 39.1230 176.8339 111 E 3.8915 8.4112 119.0392 59.0599 29.4646 178.4006 112 M 3.9740 7.7683 116.9367 58.8898 31.1037 178.4357 113 R 3.9656 7.8895 119.2488 59.1077 30.1425 178.6317 114 F 3.8343 7.5849 117.4102 61.1803 39.2396 176.9585 115 A 4.0807 7.7514 119.6092 55.1653 18.3924 179.1516 116 K 3.8473 8.1707 115.9819 59.8759 32.2141 177.3333 117 M 3.2586 7.2598 121.4065 55.6518 32.0989 175.6094 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 G 8.35 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 0.00 0.00 0.00 2 S 8.45 4.43 0.00 3.89 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 3 S 9.11 3.63 0.00 3.95 3.84 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 4 G 7.64 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 0.00 0.00 0.00 0.00 5 S 8.08 4.29 0.00 3.79 3.80 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 6 S 8.55 3.97 0.00 3.96 3.92 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 0.00 0.00 0.00 0.00 7 G 8.71 3.76 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 0.00 0.00 0.00 8 G 9.37 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 9 K 8.49 3.83 0.00 1.90 1.92 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.50 7.81 10 L 7.24 4.80 0.00 1.57 1.56 0.90 0.78 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 11 S 8.64 4.23 0.00 3.87 3.76 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 12 E 8.75 3.89 0.00 2.09 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 2.07 2.08 0.00 13 H 7.94 4.56 0.00 3.17 3.22 0.00 5.68 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 14 L 7.98 3.84 0.00 1.93 1.74 1.05 0.90 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 15 R 7.82 3.86 0.00 1.96 2.10 0.00 3.07 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.74 0.00 16 Y 8.38 4.03 0.00 2.98 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 17 C 8.15 4.09 0.00 2.77 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 0.00 0.00 0.00 18 D 8.13 4.06 0.00 2.52 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 19 S 7.82 4.08 0.00 3.93 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 20 I 7.62 3.70 2.32 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.10 1.21 0.00 0.00 21 L 8.03 4.22 0.00 2.16 1.97 1.00 1.10 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 22 R 7.40 3.95 0.00 2.03 2.06 0.00 3.16 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.89 0.00 23 E 8.41 4.14 0.00 2.12 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 0.00 2.45 2.53 0.00 24 M 7.77 4.41 0.00 2.14 2.34 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.09 2.75 0.00 25 L 7.50 5.01 0.00 1.67 1.65 0.86 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 26 S 7.39 4.84 0.00 3.89 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 27 K 8.67 4.01 0.00 1.76 1.88 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.14 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.62 7.81 28 K 7.50 4.04 0.00 1.64 1.67 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.20 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.47 7.81 29 H 7.89 3.75 0.00 3.21 3.22 0.00 5.70 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 30 A 7.88 3.65 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 31 A 7.68 4.07 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 32 Y 6.97 4.67 0.00 3.22 3.06 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 33 A 7.91 4.84 1.46 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 34 W 8.25 3.24 0.00 3.13 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 35 P 0.00 3.12 0.00 0.57 1.01 0.00 3.11 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.48 0.00 36 F 7.85 4.92 0.00 3.08 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 37 Y 8.95 4.55 0.00 3.30 3.11 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 38 K 7.90 4.82 0.00 1.80 1.75 0.00 1.76 0.00 0.00 1.97 0.00 0.00 3.18 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.53 7.81 39 P 0.00 4.55 0.00 2.17 2.10 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 40 V 8.03 4.08 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 -0.15 0.00 0.00 0.71 0.00 0.00 41 D 8.31 4.68 0.00 2.64 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 42 A 8.68 3.98 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 43 E 8.20 4.00 0.00 2.18 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 2.34 2.34 0.00 44 A 7.98 4.09 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 45 L 8.09 4.24 0.00 1.67 1.56 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.27 4.50 0.00 1.93 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 2.23 2.30 0.00 47 L 7.83 4.13 0.00 1.64 1.78 0.43 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 48 H 7.94 4.66 0.00 3.28 3.25 0.00 5.81 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.61 4.79 0.00 3.03 2.79 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 50 Y 7.56 4.33 0.00 2.89 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 51 H 7.82 4.21 0.00 3.11 3.25 0.00 5.85 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.22 4.54 0.00 2.96 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 53 I 7.45 3.96 2.13 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.56 1.06 0.00 0.00 54 I 7.57 4.14 1.08 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 1.28 1.43 0.79 0.00 0.00 55 K 8.41 3.87 0.00 1.50 1.73 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.27 7.81 56 H 7.27 4.74 0.00 3.16 3.31 0.00 5.72 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.51 0.00 2.31 2.14 0.00 3.75 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 58 M 8.07 4.84 0.00 1.87 1.88 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 59 D 8.11 4.75 0.00 2.79 2.53 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 0.00 0.00 0.00 0.00 60 L 8.22 3.86 0.00 1.90 1.64 1.06 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.20 4.08 0.00 3.85 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 62 T 7.93 3.85 4.39 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 1.22 0.00 0.00 63 V 7.80 3.98 2.22 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 1.64 0.00 0.00 0.90 0.00 0.00 64 K 8.38 3.89 0.00 1.89 1.93 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.55 7.81 65 R 8.06 3.90 0.00 1.98 2.00 0.00 3.34 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 1.79 1.86 0.00 66 K 7.98 3.77 0.00 2.05 0.92 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.56 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.23 1.37 7.81 67 M 8.60 4.39 0.00 2.42 2.51 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.59 0.00 68 D 8.61 4.54 0.00 2.82 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 69 G 7.91 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 70 R 7.60 3.91 0.00 1.87 2.00 0.00 3.36 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 71 E 8.13 3.98 0.00 1.72 1.71 0.00 0.00 0.00 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 2.28 0.00 72 Y 7.57 4.46 0.00 3.15 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 73 P 0.00 4.38 0.00 2.24 2.24 0.00 4.05 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 74 D 7.76 4.63 0.00 2.94 2.86 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 75 A 8.65 4.18 1.47 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 0.00 0.00 76 Q 8.41 4.20 0.00 2.40 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.06 0.00 0.00 0.00 0.00 0.00 2.59 2.47 0.00 77 G 7.95 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 78 F 7.92 2.34 0.00 2.46 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 79 A 8.53 3.71 1.33 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 80 A 8.26 3.83 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 81 D 7.67 4.26 0.00 2.77 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.84 3.09 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.36 0.00 0.00 83 R 7.76 3.98 0.00 1.95 1.97 0.00 3.47 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.76 0.00 84 L 7.70 3.87 0.00 1.71 1.80 0.83 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 85 M 7.64 3.73 0.00 1.64 1.77 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.60 0.00 86 F 7.65 4.15 0.00 3.31 2.99 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 87 S 8.44 4.37 0.00 4.12 4.03 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 88 N 8.51 4.39 0.00 3.09 2.93 0.00 0.00 6.78 7.50 0.00 0.00 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 C 7.81 4.14 0.00 3.10 3.31 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 90 Y 8.13 4.42 0.00 3.28 3.01 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 91 K 7.62 4.16 0.00 1.91 2.14 0.00 1.88 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.50 7.81 92 Y 8.63 4.22 0.00 2.94 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 93 N 7.81 4.24 0.00 2.84 2.55 0.00 0.00 7.19 7.78 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 94 P 0.00 4.55 0.00 2.22 2.17 0.00 3.65 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.95 0.00 95 P 0.00 4.52 0.00 2.21 2.23 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 96 D 7.81 4.81 0.00 2.67 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.15 4.39 0.00 3.30 3.18 0.00 5.60 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 98 E 8.92 4.01 0.00 2.26 2.20 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 2.37 2.44 0.00 99 V 8.10 3.52 2.14 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 0.82 0.00 0.00 0.53 0.00 0.00 100 V 7.92 3.65 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 1.25 0.00 0.00 1.13 0.00 0.00 101 A 8.15 4.12 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 0.00 102 M 7.94 4.18 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.72 0.00 103 A 8.28 4.33 1.48 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 0.00 0.00 104 R 7.71 4.13 0.00 2.08 2.03 0.00 3.35 0.00 0.00 3.28 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.03 0.00 105 K 7.70 3.74 0.00 1.47 0.80 0.00 1.36 0.00 0.00 0.61 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.08 1.39 7.81 106 L 8.26 4.00 0.00 2.07 2.16 1.09 0.69 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 0.00 107 Q 7.85 3.42 0.00 1.11 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.49 0.00 0.00 0.00 0.00 0.00 2.05 1.16 0.00 108 D 8.39 4.32 0.00 2.85 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 0.00 109 V 7.36 3.68 2.30 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 1.00 0.00 0.00 1.01 0.00 0.00 110 F 8.61 4.37 0.00 3.29 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 0.00 111 E 8.41 3.89 0.00 2.21 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 2.53 2.44 0.00 112 M 7.77 3.97 0.00 2.21 2.37 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.83 0.00 113 R 7.89 3.97 0.00 1.99 2.20 0.00 3.56 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.97 0.00 114 F 7.58 3.83 0.00 2.78 2.99 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 0.00 115 A 7.75 4.08 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 0.00 116 K 8.17 3.85 0.00 1.87 1.92 0.00 1.64 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.53 1.52 7.81 117 M 7.26 3.26 0.00 1.40 0.71 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.97 0.00