NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7464 8.4249 117.7944 52.2310 39.0127 173.0907 4 E 4.4169 8.5895 115.4080 57.5019 31.2207 174.3432 5 K 5.2620 10.5166 125.2011 54.9817 35.3346 175.0914 6 I 5.0293 8.8359 124.7759 59.4431 40.5818 174.0349 7 L 5.1160 8.8429 129.2905 53.6350 44.2193 174.9970 8 I 4.7722 8.9904 127.4529 59.9009 39.7119 174.9396 9 V 4.5961 8.7608 129.4234 61.3379 31.9244 173.3836 10 D 4.9823 8.7188 125.6742 52.7311 43.9970 174.4467 11 D 4.5599 8.9870 123.8412 55.2587 41.9705 177.0730 12 Q 4.3466 8.5947 119.1868 54.8426 27.9870 175.4068 13 Y 4.0931 8.5788 125.7727 60.7304 38.9681 178.0663 14 G 3.6564 8.2839 105.5875 48.0549 0.0000 175.3731 15 I 3.7266 7.7239 122.2762 63.8669 37.0248 178.4197 16 R 3.8611 8.2329 119.8405 59.5869 30.0101 178.7536 17 I 3.5149 7.7186 119.8934 63.8300 36.9290 178.3511 18 L 3.8526 7.8536 121.4332 58.0015 42.1420 178.8011 19 L 3.6630 8.1202 119.3293 57.7003 41.5670 178.7647 20 N 4.2383 8.2886 117.1130 56.9607 38.8757 176.2660 21 E 3.8655 7.9891 120.2852 59.3385 29.6027 178.8646 22 V 3.3572 7.4615 118.0347 66.1471 31.6009 178.1713 23 F 4.6166 7.3128 116.8803 60.3652 38.3886 177.3416 24 N 4.5827 8.2386 117.2424 56.4863 38.5442 176.9247 25 K 4.0581 7.7916 120.2901 59.3542 32.3373 178.1995 26 E 4.2063 8.2496 119.2582 58.2093 29.6551 176.8939 27 G 3.8704 7.1886 103.9279 45.2297 0.0000 173.1429 28 Y 4.6145 8.0815 117.5833 56.9254 39.6944 174.7474 29 Q 4.5081 9.2270 124.1920 55.2694 30.4615 174.7086 30 T 5.1278 8.2382 116.0372 60.0094 71.8595 173.4131 31 F 4.9838 9.1801 120.5798 55.9273 43.3436 173.9190 32 Q 5.3273 8.9297 119.6739 54.3524 32.0069 174.6241 33 A 4.8683 9.2113 122.5735 50.5755 23.1333 176.4945 34 A 4.6359 8.6146 118.9205 51.6420 20.8007 175.4399 35 N 5.1176 7.7574 113.4908 51.0636 43.1283 175.6926 36 G 3.6427 8.6041 105.8582 47.5835 0.0000 176.2245 37 L 3.9926 7.8062 120.7494 57.9423 41.6827 179.5093 38 Q 4.0370 8.1174 117.1166 58.6513 28.6001 178.7508 39 A 3.9472 7.7033 122.0852 55.2552 18.5244 179.5356 40 L 3.9246 8.1755 117.8903 58.0103 41.7226 179.4314 41 D 4.2711 7.9054 117.5818 57.5336 41.1660 178.4693 42 I 3.6812 7.5574 119.9149 63.7477 36.8913 178.7651 43 V 3.4607 7.6037 119.5316 66.4128 31.2391 178.2764 44 T 3.8606 7.8364 116.3896 66.6265 68.2549 176.5942 45 K 4.2800 7.7293 124.0004 57.8860 32.6286 181.0310 46 E 4.4415 8.1398 116.6746 54.8673 31.6773 176.2034 47 R 3.6828 7.8678 116.9268 56.5232 27.9008 174.1393 48 P 4.5541 0.0000 0.0000 62.5250 32.8103 177.3029 49 D 4.5157 8.9494 120.5361 57.1043 41.5163 175.8664 50 L 5.0856 7.8595 119.7813 53.0359 45.6501 174.4958 51 V 4.7170 8.5455 124.8179 61.1325 34.3467 174.0928 52 L 4.8680 9.0372 129.0571 53.3327 43.2761 175.2909 53 L 4.8428 8.6025 127.6535 52.9028 44.1886 174.9515 54 D 4.9487 8.9154 127.8552 54.5186 41.0943 176.3711 55 M 4.1532 9.2590 126.5082 57.1771 32.4541 177.6906 56 K 4.3585 8.0717 120.7386 54.5217 30.7339 175.5335 57 I 4.5674 7.1466 113.5015 57.8027 40.5234 174.8663 58 P 4.2128 0.0000 0.0000 63.8209 31.0948 174.9871 59 G 3.9090 8.2358 114.4765 45.4208 0.0000 172.6671 60 M 4.3966 7.4519 121.0296 53.1647 34.1120 176.0121 61 D 4.6136 8.4549 124.6407 52.6250 40.9946 177.2845 62 G 3.7914 8.9250 108.8854 48.4994 0.0000 175.9399 63 I 3.7896 7.7748 121.2454 63.6702 37.0885 177.7754 64 E 4.0915 8.3580 120.5281 58.6542 29.6936 178.4177 65 I 3.7934 7.6518 112.5979 63.5079 37.7022 177.9442 66 L 3.9536 7.9705 122.5721 57.9448 42.1080 178.8633 67 K 3.9757 7.8957 118.0270 59.6309 32.0546 179.5874 68 R 3.9688 8.1178 118.2876 59.4136 29.9635 179.0281 69 M 4.0630 8.1219 118.6419 58.0937 31.7958 178.5921 70 K 4.0006 7.8662 119.3429 59.6637 32.1558 178.9838 71 V 3.5953 7.4337 116.7546 66.0664 31.4606 177.7804 72 I 4.1626 7.4558 118.3853 63.0052 37.5795 175.7085 73 D 4.5051 8.2836 120.5115 52.1918 41.8736 175.1130 74 E 4.2518 8.6522 123.8129 57.5995 29.6131 177.8362 75 N 4.8183 8.0430 115.7994 52.6889 39.0372 174.5986 76 I 3.5898 7.7866 120.0423 61.3979 38.5447 175.4166 77 R 4.4338 8.1109 126.7579 54.8918 31.4191 175.1768 78 V 4.7599 8.1646 124.1967 61.0405 34.7120 174.5887 79 I 4.8584 8.6164 127.4983 59.4135 39.9875 174.7275 80 I 4.6368 8.2138 121.5813 60.6186 39.5205 174.6973 81 M 5.3949 9.0476 124.2970 54.3824 34.9399 175.1415 82 T 4.5353 8.9671 116.7068 61.3483 71.6634 171.5788 83 A 4.9080 8.5508 122.3449 50.8038 20.0817 178.6951 84 Y 4.2403 8.9368 119.3763 59.6512 38.1085 177.3932 85 G 3.9512 7.7878 107.7787 45.5161 0.0000 174.3852 86 E 4.5420 7.7905 120.5377 55.1548 28.6480 177.3936 87 L 4.0148 7.6556 121.6666 58.1139 42.2135 179.1937 88 D 4.3742 8.0100 118.2867 57.1750 40.8897 178.3327 89 M 4.0492 7.9244 118.5180 58.5880 32.3206 178.1672 90 I 3.6810 7.8331 120.0667 64.1461 37.1301 178.2970 91 Q 3.8883 7.7088 120.3450 59.1814 28.9835 177.7632 92 E 3.9444 8.0618 119.6454 59.8654 29.4712 179.6826 93 S 4.1925 8.0578 114.8520 61.3884 62.9414 176.7734 94 K 3.9057 7.7926 121.9876 59.3834 31.7321 178.6271 95 E 3.9460 8.1803 118.0907 59.6561 29.5855 179.3729 96 L 4.2115 8.2254 117.2900 55.8308 41.5828 177.4533 97 G 3.9570 7.2945 107.7307 45.3228 0.0000 173.7006 98 A 4.2055 8.1572 123.9579 51.4210 18.9647 178.3235 99 L 3.9258 8.8611 124.7977 57.9427 41.6852 177.0205 100 T 4.5220 7.2073 111.4227 62.2872 70.4027 170.8495 101 H 5.1359 8.1043 113.7270 54.9008 31.4523 172.9651 102 F 4.8298 9.4464 119.2220 55.6401 42.3824 174.3037 103 A 5.0244 8.9535 124.4503 51.5637 19.7703 176.6056 104 K 4.6108 9.0516 120.7929 54.1243 33.9602 175.1123 105 P 4.0690 0.0000 0.0000 62.1772 31.9492 175.8228 106 F 4.9277 7.3245 116.9669 55.0634 40.7044 173.7894 107 D 4.8184 8.5353 119.6934 52.7040 41.5476 176.6112 108 I 3.9534 8.5524 127.2563 64.0973 37.7451 177.1381 109 D 4.3841 8.2109 119.3131 57.1046 40.6799 178.4028 110 E 3.9971 8.5487 119.7294 59.1465 29.4308 179.4065 111 I 2.9730 7.1783 119.4919 63.9278 37.3068 178.0326 112 R 4.1570 7.9486 119.5937 59.8712 29.3539 178.3546 113 D 4.4988 8.5222 118.5291 57.0593 40.7555 178.5666 114 A 4.1515 7.8350 121.1759 55.0407 18.4497 180.0669 115 V 3.6092 7.8394 111.0042 64.1605 31.3003 178.6950 116 K 4.2151 7.5727 115.9071 58.4350 32.0190 178.7038 117 K 4.0522 7.3929 118.5878 58.8275 32.2921 177.6391 118 Y 4.4799 7.8583 115.6799 58.4874 39.7639 175.8263 119 L 4.7665 8.1234 120.4618 52.2940 41.7049 173.5995 120 P 4.3874 0.0000 0.0000 62.7413 32.1866 176.7052 121 L 5.1705 8.4395 123.5708 54.4777 41.9464 175.8726 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 3 N 8.42 4.75 0.00 2.76 2.62 0.00 0.00 6.74 6.77 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 4 E 8.59 4.42 0.00 2.09 2.13 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 2.57 2.44 0.00 5 K 10.52 5.26 0.00 1.80 2.06 0.00 1.70 0.00 0.00 1.84 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.77 1.56 7.81 6 I 8.84 5.03 1.80 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.71 0.72 0.00 0.00 7 L 8.84 5.12 0.00 1.82 1.54 1.04 0.68 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 8 I 8.99 4.77 1.92 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.71 0.97 0.00 0.00 9 V 8.76 4.60 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 1.03 0.00 0.00 0.95 0.00 0.00 10 D 8.72 4.98 0.00 2.76 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 11 D 8.99 4.56 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 12 Q 8.59 4.35 0.00 2.28 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.40 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 13 Y 8.58 4.09 0.00 3.14 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 14 G 8.28 3.66 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 0.00 0.00 0.00 15 I 7.72 3.73 2.10 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 1.48 0.98 1.05 0.00 0.00 16 R 8.23 3.86 0.00 1.81 1.84 0.00 3.21 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 17 I 7.72 3.51 1.60 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.33 0.82 0.00 0.00 18 L 7.85 3.85 0.00 1.80 1.85 0.87 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.12 3.66 0.00 1.89 1.78 1.05 0.39 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 20 N 8.29 4.24 0.00 2.81 2.93 0.00 0.00 6.84 8.20 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 21 E 7.99 3.87 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.20 0.00 22 V 7.46 3.36 1.53 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 0.34 0.00 0.00 0.74 0.00 0.00 23 F 7.31 4.62 0.00 3.09 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 24 N 8.24 4.58 0.00 3.04 2.80 0.00 0.00 6.65 6.75 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 25 K 7.79 4.06 0.00 1.86 2.09 0.00 1.83 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.44 7.81 26 E 8.25 4.21 0.00 2.44 2.44 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 2.69 2.56 0.00 27 G 7.19 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.08 4.61 0.00 3.00 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 29 Q 9.23 4.51 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 1.97 2.16 0.00 30 T 8.24 5.13 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 1.30 0.00 0.00 31 F 9.18 4.98 0.00 2.96 2.94 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 32 Q 8.93 5.33 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 33 A 9.21 4.87 1.21 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 34 A 8.61 4.64 1.27 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 0.00 0.00 0.00 35 N 7.76 5.12 0.00 2.72 2.76 0.00 0.00 6.98 7.99 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 36 G 8.60 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 0.00 0.00 0.00 37 L 7.81 3.99 0.00 1.80 1.73 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.12 4.04 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.96 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 39 A 7.70 3.95 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 40 L 8.18 3.92 0.00 1.88 1.73 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 41 D 7.91 4.27 0.00 2.93 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 42 I 7.56 3.68 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.63 0.56 0.00 0.00 43 V 7.60 3.46 2.19 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 1.09 0.00 0.00 0.93 0.00 0.00 44 T 7.84 3.86 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 1.19 0.00 0.00 45 K 7.73 4.28 0.00 1.89 1.71 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.33 7.81 46 E 8.14 4.44 0.00 1.53 1.41 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 1.88 1.47 0.00 47 R 7.87 3.68 0.00 1.84 1.89 0.00 3.14 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 48 P 0.00 4.55 0.00 2.21 2.03 0.00 3.71 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 1.96 1.92 0.00 49 D 8.95 4.52 0.00 2.81 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 50 L 7.86 5.09 0.00 1.64 1.31 0.91 0.54 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 51 V 8.55 4.72 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 1.01 0.00 0.00 0.91 0.00 0.00 52 L 9.04 4.87 0.00 1.61 1.61 0.91 0.06 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 53 L 8.60 4.84 0.00 1.76 1.53 0.94 0.88 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 54 D 8.92 4.95 0.00 2.79 2.61 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 55 M 9.26 4.15 0.00 1.93 2.14 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 2.65 2.70 0.00 56 K 8.07 4.36 0.00 1.91 1.78 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.52 7.81 57 I 7.15 4.57 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.53 0.97 0.00 0.00 58 P 0.00 4.21 0.00 2.08 2.04 0.00 3.90 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 59 G 8.24 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 60 M 7.45 4.40 0.00 1.99 1.96 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 2.54 2.52 0.00 61 D 8.45 4.61 0.00 2.87 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 62 G 8.93 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 63 I 7.77 3.79 1.99 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 1.52 1.26 0.91 0.00 0.00 64 E 8.36 4.09 0.00 2.36 2.02 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 2.28 2.35 0.00 65 I 7.65 3.79 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 1.53 0.42 0.95 0.00 0.00 66 L 7.97 3.95 0.00 1.87 1.95 0.90 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 67 K 7.90 3.98 0.00 2.02 1.84 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.61 7.81 68 R 8.12 3.97 0.00 2.01 1.97 0.00 3.12 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.88 0.00 69 M 8.12 4.06 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.53 0.00 70 K 7.87 4.00 0.00 2.12 1.88 0.00 1.51 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.48 7.81 71 V 7.43 3.60 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.92 0.00 0.00 72 I 7.46 4.16 1.99 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 1.39 0.81 0.89 0.00 0.00 73 D 8.28 4.51 0.00 2.68 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 74 E 8.65 4.25 0.00 2.10 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 0.00 2.27 2.30 0.00 75 N 8.04 4.82 0.00 2.87 2.84 0.00 0.00 6.89 7.59 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 76 I 7.79 3.59 1.92 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 1.27 0.59 0.92 0.00 0.00 77 R 8.11 4.43 0.00 1.80 1.77 0.00 3.14 0.00 0.00 3.24 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.73 0.00 78 V 8.16 4.76 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 1.03 0.00 0.00 0.90 0.00 0.00 79 I 8.62 4.86 1.87 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.45 1.10 0.00 0.00 80 I 8.21 4.64 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.33 0.92 0.00 0.00 81 M 9.05 5.39 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.00 3.02 0.00 82 T 8.97 4.54 4.29 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 1.27 0.00 0.00 83 A 8.55 4.91 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 84 Y 8.94 4.24 0.00 2.98 3.14 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 85 G 7.79 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 0.00 0.00 0.00 86 E 7.79 4.54 0.00 2.03 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 2.31 2.49 0.00 87 L 7.66 4.01 0.00 1.69 1.72 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 88 D 8.01 4.37 0.00 2.68 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 89 M 7.92 4.05 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.62 0.00 90 I 7.83 3.68 2.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.18 0.73 0.00 0.00 91 Q 7.71 3.89 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 92 E 8.06 3.94 0.00 2.29 1.99 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 2.33 2.36 0.00 93 S 8.06 4.19 0.00 3.98 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 94 K 7.79 3.91 0.00 1.95 1.97 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.46 7.81 95 E 8.18 3.95 0.00 2.09 2.00 0.00 0.00 0.00 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 2.40 0.00 96 L 8.23 4.21 0.00 1.54 1.72 0.91 0.97 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 97 G 7.29 3.96 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 0.00 0.00 0.00 98 A 8.16 4.21 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 99 L 8.86 3.93 0.00 1.39 1.19 0.73 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 100 T 7.21 4.52 4.16 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 0.00 0.00 0.00 1.12 0.00 0.00 101 H 8.10 5.14 0.00 3.20 3.18 0.00 5.71 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 F 9.45 4.83 0.00 2.96 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 0.00 103 A 8.95 5.02 1.41 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 0.00 104 K 9.05 4.61 0.00 1.61 1.64 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.79 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.41 1.55 7.81 105 P 0.00 4.07 0.00 2.00 1.84 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 106 F 7.32 4.93 0.00 3.04 3.39 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 0.00 107 D 8.54 4.82 0.00 2.85 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 0.00 108 I 8.55 3.95 1.96 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.96 0.92 0.00 0.00 109 D 8.21 4.38 0.00 3.05 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 0.00 110 E 8.55 4.00 0.00 2.15 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 2.40 2.39 0.00 111 I 7.18 2.97 1.54 0.00 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 -0.36 0.56 0.00 0.00 112 R 7.95 4.16 0.00 2.02 2.08 0.00 3.05 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 113 D 8.52 4.50 0.00 2.86 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 0.00 114 A 7.84 4.15 1.62 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 0.00 115 V 7.84 3.61 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 0.43 0.00 0.00 0.53 0.00 0.00 116 K 7.57 4.22 0.00 1.84 1.94 0.00 1.87 0.00 0.00 1.91 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.69 1.63 7.81 117 K 7.39 4.05 0.00 1.65 1.84 0.00 1.56 0.00 0.00 1.03 0.00 0.00 2.80 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.83 1.21 7.81 118 Y 7.86 4.48 0.00 3.12 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 0.00 119 L 8.12 4.77 0.00 1.55 1.77 1.21 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.39 0.00 2.10 2.02 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.22 0.00 121 L 8.44 5.17 0.00 1.05 1.28 0.55 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00