NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1159 8.1727 122.0489 56.3718 34.1069 174.2439 2 V 4.5513 8.1295 126.9487 60.4471 31.8328 174.3133 3 F 4.4639 9.9765 127.6283 57.5532 40.2143 174.4260 4 E 4.2030 9.2111 120.4877 55.4440 31.1023 176.6968 5 R 3.0101 8.7757 119.5134 60.8513 30.0997 179.1757 6 C 4.2868 8.0002 115.6434 59.8603 34.6600 175.8481 7 E 3.8850 8.0438 120.7026 59.4330 29.2825 178.8404 8 T 3.2901 7.9372 115.7284 66.3591 68.4436 176.3624 9 A 3.9911 7.7284 122.6560 55.4594 18.2546 179.9087 10 R 3.9711 7.9685 116.2393 59.3917 30.2901 179.3745 11 T 3.8598 7.7144 115.2961 66.4592 68.2753 176.9009 12 L 3.8725 8.2146 121.4721 57.5037 41.5880 179.3957 13 K 3.9425 8.0243 119.7144 59.5063 31.9079 178.9099 14 R 3.9761 8.0904 118.4122 58.9534 30.0477 177.5307 15 L 4.3621 7.3732 115.9031 54.3497 41.6285 177.0642 16 G 3.8860 7.7319 106.5359 46.7802 0.0000 175.0728 17 M 3.9734 7.6866 121.5473 56.5364 32.4129 175.3307 18 D 4.5505 8.0624 117.4498 56.2644 40.9936 175.9121 19 G 3.9162 9.2654 115.4889 45.3712 0.0000 171.1509 20 Y 4.0775 8.4856 122.1097 58.6328 38.7844 176.3817 21 R 3.3640 8.9124 127.3196 57.4143 27.5467 177.4906 22 G 3.7874 8.3714 104.3206 45.6804 0.0000 174.2546 23 I 3.9747 7.3847 122.1356 59.3919 37.5441 175.8711 24 S 4.6065 8.2627 121.0745 58.0552 64.8594 174.8046 25 L 4.2965 8.5269 124.1151 58.3644 41.7143 179.2649 26 A 4.1127 8.0891 120.4628 55.0793 18.3433 179.2588 27 N 4.3972 7.8339 114.4695 56.3740 38.6720 177.6930 28 W 4.2946 7.9250 119.8389 59.9466 29.0142 178.4784 29 M 4.1791 8.5280 118.8346 58.7120 31.5234 177.7470 30 C 3.1565 8.0836 118.7692 59.3517 42.4954 175.4097 31 L 4.0110 8.0238 121.4277 58.3727 41.7424 178.9700 32 A 4.0599 8.2137 120.6300 54.7275 18.1554 179.5685 33 K 2.6529 8.1528 118.5917 59.1426 32.0368 179.0467 34 W 4.2500 7.7355 117.5487 59.0977 29.1751 178.3752 35 E 4.3247 8.4623 118.9344 58.8201 29.5014 177.9189 36 S 4.4944 7.9326 109.0520 56.7758 65.1978 174.5277 37 G 3.4083 7.8627 108.7012 46.9025 0.0000 173.2195 38 Y 3.6162 7.4701 113.5812 58.7468 34.8246 168.5691 39 N 5.3896 7.5579 118.0831 51.9671 40.3019 175.2885 40 T 4.2454 9.1710 117.7042 63.5690 70.0186 175.9261 41 R 4.5223 7.9434 117.0135 55.7863 30.5013 176.5800 42 A 4.3894 7.7413 121.6599 52.9603 19.4751 177.4015 43 T 5.5580 8.0885 109.7069 60.6475 72.2646 173.0380 44 N 4.9354 8.4641 120.2129 51.8851 42.8607 172.5512 45 Y 4.7917 8.6938 125.6173 56.9010 40.9221 173.9327 46 N 4.4757 8.2122 124.5613 51.2386 38.9289 175.4892 47 A 3.7306 8.1792 127.6661 54.4278 19.0083 179.0612 48 G 3.7737 8.0102 104.6681 48.3115 0.0000 174.0401 49 D 4.6729 7.3949 115.3679 51.8633 40.7440 175.4730 50 R 4.1815 7.9691 115.8467 57.1199 28.1341 174.5681 51 S 5.0188 7.2690 110.3602 56.8840 67.7643 173.7989 52 T 5.0882 9.3169 115.3432 62.0084 72.8889 173.1103 53 D 5.3558 9.1067 125.5595 53.5676 42.8871 175.1431 54 Y 4.9962 9.2155 120.6660 57.3824 41.9275 177.6005 55 G 4.7463 8.7667 111.3208 45.6279 0.0000 173.6750 56 I 3.8986 8.3144 116.9036 62.8460 37.9282 177.4485 57 F 4.7198 8.0263 115.7145 56.2922 39.7705 175.2475 58 Q 3.6267 8.0173 119.1563 57.0966 26.8115 174.3282 59 I 4.3417 8.2433 118.5765 61.3126 39.3043 176.6512 60 N 5.4262 9.1279 125.3053 52.9964 39.7410 175.9215 61 S 4.6076 8.9653 121.0451 60.7799 63.1841 175.6537 62 R 3.7263 8.6763 121.9379 58.6032 30.3952 177.8105 63 Y 4.0820 7.7085 114.8210 58.1936 40.4828 177.2561 64 W 4.8189 8.0484 118.8393 57.6215 30.0063 173.7753 65 C 6.0291 7.8171 110.1938 52.4243 43.3639 172.0235 66 N 5.0616 8.8965 120.3181 52.4572 39.5260 174.9579 67 D 4.6867 8.6560 123.6005 52.4590 40.1792 178.3110 68 G 4.0868 8.2976 109.1244 45.9567 0.0000 174.8348 69 K 4.4199 7.9047 115.6613 56.6482 33.1452 175.9157 70 T 4.4759 7.8179 117.2226 61.6702 68.9847 172.8133 71 P 4.1362 0.0000 0.0000 63.9592 31.7995 176.6358 72 G 3.8601 8.5957 112.7788 46.4140 0.0000 172.5881 73 A 4.4279 7.7013 119.8682 50.6492 20.7795 176.6932 74 V 4.4666 8.3688 112.7521 59.7721 35.7619 175.9652 75 N 4.9324 8.0193 115.3849 52.1294 38.4124 174.6934 76 A 3.9452 8.5697 123.1538 54.9008 19.1033 178.3117 77 C 4.5976 8.4179 111.5486 57.0626 41.0377 173.1001 78 H 4.0626 7.9825 116.1166 56.7088 26.4835 174.3390 79 L 4.8500 7.5363 116.3113 52.8986 46.2394 176.3654 80 S 4.7488 8.3178 115.1661 57.8704 63.4676 175.9890 81 C 4.0751 8.5067 123.8038 59.3974 39.4377 176.4209 82 S 3.9444 7.9596 115.2674 61.2391 62.0399 175.7672 83 A 3.9989 8.0315 123.4337 54.9688 17.9034 178.6524 84 L 4.4020 7.6832 114.9512 55.3835 41.5216 177.8307 85 L 5.0200 7.7314 118.5112 54.5658 42.2071 176.6392 86 Q 4.4022 7.4032 117.1305 55.3314 29.5134 176.1834 87 D 4.4438 8.5296 119.8532 57.0074 41.2023 176.8704 88 N 4.6489 8.0583 117.9930 53.1819 39.5960 174.7072 89 I 4.3297 8.4015 118.2743 60.9327 38.0970 177.0771 90 A 3.9355 8.1185 124.9106 56.0419 18.1729 180.2096 91 D 4.3099 8.0900 116.4764 57.3544 40.9230 178.7190 92 A 4.0891 7.9611 120.9178 55.2150 18.4775 179.7224 93 V 3.3319 8.0984 116.7220 65.8366 31.6575 178.1544 94 A 3.8173 7.9687 120.6623 55.1590 18.1408 178.8549 95 C 4.2135 8.2567 116.8060 59.7426 43.6870 175.5647 96 A 3.9162 8.2459 122.8138 55.1513 17.6136 179.7576 97 K 3.7113 7.5901 116.1054 59.3035 32.2700 179.2852 98 R 4.0690 7.6574 118.5794 59.3121 30.1282 178.4736 99 V 2.4284 7.4310 118.1407 65.8470 30.8748 177.9169 100 V 3.9427 7.7350 109.1959 62.2947 31.1268 177.4101 101 R 4.2870 7.8548 118.4713 56.5649 30.5691 175.7066 102 D 4.7804 7.5543 118.5180 52.9090 42.3700 175.4968 103 P 4.1904 0.0000 0.0000 66.2144 31.4453 178.3596 104 Q 4.0456 8.1745 116.2749 56.8551 30.0672 177.7535 105 G 3.7199 7.8080 106.7687 47.1934 0.0000 176.9666 106 I 3.6048 7.8211 122.4558 63.2304 37.8765 177.7090 107 R 4.1598 7.2938 117.8251 58.1023 30.1043 177.3080 108 A 3.9248 7.5154 120.6004 54.5820 18.3674 177.9138 109 W 4.7289 8.2124 116.7024 55.5668 29.9824 177.8582 110 V 3.7353 8.6948 123.1104 65.7540 30.8978 177.8001 111 A 4.0178 8.2592 120.5487 54.6745 18.2796 179.1481 112 W 3.9909 8.2169 127.0025 60.6862 30.6046 178.3857 113 R 3.6584 8.2293 116.1030 59.3501 29.6725 178.2953 114 N 4.4638 8.1912 115.3946 55.4889 38.5593 176.2356 115 R 4.3798 7.7324 112.3882 55.4885 30.3838 174.8077 116 C 4.5226 8.2204 116.7436 58.2381 42.8837 174.5461 117 Q 3.2059 6.6391 119.4555 56.9732 28.8598 174.9998 118 N 4.1546 8.5211 120.7439 54.3709 36.3288 173.8289 119 R 4.4915 7.2045 114.2465 54.0935 33.2328 175.5850 120 D 4.6001 8.4634 118.7872 53.9336 40.3866 175.9844 121 V 4.7477 8.1758 119.1090 61.3136 32.7117 178.2844 122 R 4.0521 8.0764 121.2258 59.4098 29.3327 178.5290 123 Q 4.0154 8.2787 116.8253 59.6974 27.9135 178.6097 124 Y 3.8974 8.0056 117.8633 60.0163 38.2542 177.3454 125 V 4.4524 7.9054 111.0874 59.6947 32.2904 175.1372 126 Q 4.0579 7.1519 120.9372 57.9447 28.8462 176.5721 127 G 3.9681 9.0000 113.7798 45.8276 0.0000 173.9306 128 C 4.4366 8.1458 115.9777 56.5836 40.6402 173.5798 129 G 3.8199 8.0516 107.2677 47.1018 0.0000 174.2503 130 V 4.0207 7.8319 117.4284 61.1446 32.2738 176.0036 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 K 8.17 4.12 0.00 1.97 1.61 0.00 1.19 0.00 0.00 0.97 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.82 1.08 7.81 2 V 8.13 4.55 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 0.90 0.00 0.00 0.94 0.00 0.00 3 F 9.98 4.46 0.00 2.85 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 4 E 9.21 4.20 0.00 1.92 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 2.28 2.38 0.00 5 R 8.78 3.01 0.00 1.89 1.83 0.00 3.35 0.00 0.00 3.38 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 6 C 8.00 4.29 0.00 2.98 3.10 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 7 E 8.04 3.89 0.00 2.06 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 0.00 2.70 2.49 0.00 8 T 7.94 3.29 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 0.85 0.00 0.00 9 A 7.73 3.99 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 10 R 7.97 3.97 0.00 1.88 1.97 0.00 3.13 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 11 T 7.71 3.86 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 1.17 0.00 0.00 12 L 8.21 3.87 0.00 1.63 1.60 0.97 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.02 3.94 0.00 2.00 1.91 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.47 7.81 14 R 8.09 3.98 0.00 2.09 1.92 0.00 3.31 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 15 L 7.37 4.36 0.00 1.73 1.55 0.84 0.83 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 16 G 7.73 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 17 M 7.69 3.97 0.00 1.18 1.97 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.19 0.00 18 D 8.06 4.55 0.00 2.68 2.69 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 0.00 19 G 9.27 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 0.00 0.00 0.00 20 Y 8.49 4.08 0.00 3.42 3.28 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 21 R 8.91 3.36 0.00 2.01 1.91 0.00 3.27 0.00 0.00 3.02 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.53 0.00 22 G 8.37 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 23 I 7.38 3.97 1.59 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.54 -0.32 0.00 0.00 24 S 8.26 4.61 0.00 4.10 4.02 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 0.00 0.00 0.00 25 L 8.53 4.30 0.00 2.09 1.81 1.01 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.09 4.11 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.83 4.40 0.00 2.97 2.69 0.00 0.00 6.99 7.55 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 28 W 7.92 4.29 0.00 3.57 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 29 M 8.53 4.18 0.00 2.20 2.41 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.93 0.00 30 C 8.08 3.16 0.00 2.16 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 31 L 8.02 4.01 0.00 1.88 1.92 0.84 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.21 4.06 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 33 K 8.15 2.65 0.00 1.53 1.86 0.00 0.78 0.00 0.00 1.23 0.00 0.00 2.56 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.33 0.35 7.81 34 W 7.74 4.25 0.00 3.36 3.29 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 0.00 35 E 8.46 4.32 0.00 1.96 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 2.63 2.58 0.00 36 S 7.93 4.49 0.00 4.05 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 37 G 7.86 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.47 3.62 0.00 3.35 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 39 N 7.56 5.39 0.00 2.89 2.81 0.00 0.00 7.02 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 40 T 9.17 4.25 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 1.47 0.00 0.00 41 R 7.94 4.52 0.00 1.91 2.08 0.00 3.08 0.00 0.00 3.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.80 0.00 42 A 7.74 4.39 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 43 T 8.09 5.56 4.12 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 1.29 0.00 0.00 44 N 8.46 4.94 0.00 2.90 2.72 0.00 0.00 6.66 7.48 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 45 Y 8.69 4.79 0.00 2.96 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.21 4.48 0.00 2.49 2.57 0.00 0.00 6.61 8.29 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 47 A 8.18 3.73 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 48 G 8.01 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 0.00 0.00 0.00 49 D 7.39 4.67 0.00 2.69 2.63 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 50 R 7.97 4.18 0.00 2.01 2.18 0.00 3.10 0.00 0.00 3.20 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.54 0.00 51 S 7.27 5.02 0.00 3.84 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 52 T 9.32 5.09 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 0.74 0.00 0.00 53 D 9.11 5.36 0.00 2.69 2.73 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 54 Y 9.22 5.00 0.00 2.90 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 55 G 8.77 4.75 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 56 I 8.31 3.90 1.72 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 0.83 1.77 0.22 0.00 0.00 57 F 8.03 4.72 0.00 3.20 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 58 Q 8.02 3.63 0.00 2.53 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.85 0.00 0.00 0.00 0.00 0.00 2.45 2.70 0.00 59 I 8.24 4.34 2.14 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 1.37 0.98 1.13 0.00 0.00 60 N 9.13 5.43 0.00 3.00 3.04 0.00 0.00 6.94 7.34 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 61 S 8.97 4.61 0.00 4.21 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 62 R 8.68 3.73 0.00 1.53 1.33 0.00 2.63 0.00 0.00 2.86 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.01 0.00 63 Y 7.71 4.08 0.00 1.65 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 64 W 8.05 4.82 0.00 3.57 3.32 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 65 C 7.82 6.03 0.00 3.19 3.18 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 66 N 8.90 5.06 0.00 2.81 2.71 0.00 0.00 6.98 8.10 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 67 D 8.66 4.69 0.00 2.92 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 68 G 8.30 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 69 K 7.90 4.42 0.00 1.91 1.91 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.44 7.81 70 T 7.82 4.48 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 71 P 0.00 4.14 0.00 2.02 2.01 0.00 3.83 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 2.04 2.11 0.00 72 G 8.60 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 73 A 7.70 4.43 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 74 V 8.37 4.47 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 0.65 0.00 0.00 0.87 0.00 0.00 75 N 8.02 4.93 0.00 2.71 2.60 0.00 0.00 6.76 8.46 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 76 A 8.57 3.95 1.11 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 0.00 0.00 77 C 8.42 4.60 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 78 H 7.98 4.06 0.00 3.31 3.38 0.00 5.79 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.54 4.85 0.00 1.67 1.50 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.32 4.75 0.00 3.83 3.69 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 0.00 81 C 8.51 4.08 0.00 2.38 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 82 S 7.96 3.94 0.00 3.87 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 83 A 8.03 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.68 4.40 0.00 1.92 1.84 1.07 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.73 5.02 0.00 1.76 1.70 1.09 1.35 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 86 Q 7.40 4.40 0.00 2.38 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.25 7.00 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 87 D 8.53 4.44 0.00 2.63 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 4.65 0.00 2.70 2.75 0.00 0.00 6.91 7.94 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 89 I 8.40 4.33 1.84 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.41 1.00 0.00 0.00 90 A 8.12 3.94 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 91 D 8.09 4.31 0.00 2.75 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 92 A 7.96 4.09 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.10 3.33 2.16 0.00 0.00 0.00 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 0.88 0.00 0.00 94 A 7.97 3.82 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 95 C 8.26 4.21 0.00 3.17 3.29 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 0.00 96 A 8.25 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.59 3.71 0.00 1.59 1.32 0.00 1.29 0.00 0.00 0.77 0.00 0.00 2.38 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.30 0.91 7.81 98 R 7.66 4.07 0.00 2.00 2.16 0.00 3.30 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.01 0.00 99 V 7.43 2.43 1.75 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 -0.33 0.00 0.00 -0.86 0.00 0.00 100 V 7.73 3.94 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 1.10 0.00 0.00 1.42 0.00 0.00 101 R 7.85 4.29 0.00 2.17 2.07 0.00 3.34 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 102 D 7.55 4.78 0.00 3.04 2.62 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 0.00 103 P 0.00 4.19 0.00 2.01 2.14 0.00 3.69 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 2.03 2.14 0.00 104 Q 8.17 4.05 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.81 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 105 G 7.81 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 0.00 106 I 7.82 3.60 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 0.00 -0.15 -0.18 -0.55 0.00 0.00 107 R 7.29 4.16 0.00 2.07 2.04 0.00 3.24 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.89 0.00 108 A 7.52 3.92 0.79 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 0.00 109 W 8.21 4.73 0.00 3.45 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 0.00 110 V 8.69 3.74 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 1.21 0.00 0.00 1.01 0.00 0.00 111 A 8.26 4.02 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 0.00 112 W 8.22 3.99 0.00 3.41 3.52 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 0.00 113 R 8.23 3.66 0.00 2.05 2.00 0.00 3.66 0.00 0.00 3.55 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.23 0.00 114 N 8.19 4.46 0.00 2.72 2.72 0.00 0.00 6.86 8.52 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 0.00 115 R 7.73 4.38 0.00 1.01 1.26 0.00 2.74 0.00 0.00 2.83 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.50 0.00 116 C 8.22 4.52 0.00 1.77 2.65 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 0.00 0.00 0.00 0.00 117 Q 6.64 3.21 0.00 0.93 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.84 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 118 N 8.52 4.15 0.00 2.76 2.79 0.00 0.00 6.85 7.66 0.00 0.00 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 R 7.20 4.49 0.00 1.83 1.81 0.00 3.24 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.48 0.00 120 D 8.46 4.60 0.00 2.65 2.65 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 0.00 0.00 0.00 0.00 121 V 8.18 4.75 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 0.83 0.00 0.00 1.02 0.00 0.00 122 R 8.08 4.05 0.00 2.04 2.04 0.00 3.17 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 123 Q 8.28 4.02 0.00 2.12 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.14 1.64 0.00 124 Y 8.01 3.90 0.00 3.20 3.18 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 0.00 125 V 7.91 4.45 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 0.92 0.00 0.00 1.07 0.00 0.00 126 Q 7.15 4.06 0.00 1.88 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.62 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 127 G 9.00 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 0.00 128 C 8.15 4.44 0.00 3.07 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 0.00 129 G 8.05 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 0.00 0.00 0.00 130 V 7.83 4.02 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 0.82 0.00 0.00 0.96 0.00 0.00