NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3825 8.3049 120.3453 54.3297 34.4433 176.6781 2 S 4.4469 7.3756 112.4168 55.9196 67.8323 173.7958 3 Y 4.1163 9.7500 121.1247 60.1458 38.7461 178.0119 4 A 3.8388 7.0985 122.4122 53.9471 18.5609 178.6409 5 D 4.3597 7.5819 114.5271 57.2733 41.4596 176.6352 6 S 4.8844 8.3239 115.4274 58.3365 64.4011 173.9706 7 S 5.7804 8.0244 113.1701 55.9716 66.3639 172.9444 8 R 4.5770 8.0481 116.1948 54.9062 33.1529 173.6647 9 N 4.1181 8.6906 113.8095 54.3717 37.3190 173.4322 10 A 4.7843 8.1146 118.1554 51.3617 19.0578 177.9975 11 V 4.8292 9.1920 122.2414 61.6300 35.6380 174.0279 12 L 4.7562 8.8344 128.2608 55.2450 43.0435 175.6162 13 T 4.6615 8.8380 121.1039 62.5470 73.1856 174.2292 14 N 4.2502 9.4880 118.7702 54.1175 37.4593 174.3028 15 G 3.7994 7.8801 103.4752 46.3502 0.0000 174.3857 16 G 3.9617 8.4993 105.1315 45.2430 0.0000 174.9624 17 R 4.5426 7.8644 118.6032 56.2512 32.4474 175.9673 18 T 4.8520 8.3582 116.4782 61.4704 72.4007 172.8375 19 L 4.4343 9.0885 129.2883 53.6897 43.3697 174.6596 20 R 5.0584 8.4830 127.8825 54.6493 31.9840 174.7905 21 A 4.9674 9.1261 126.9659 50.8824 23.6287 174.7303 22 E 5.1366 9.5858 120.6713 55.0439 31.2951 174.9380 23 C 5.8820 8.9649 120.4443 55.1953 32.6555 173.6501 24 R 4.7928 8.6131 122.4924 56.6662 30.9460 176.0428 25 N 4.8697 9.2389 122.9636 51.5167 39.6791 175.3577 26 A 4.0767 8.0574 119.8724 55.1261 18.4145 178.4299 27 D 4.4166 8.1309 113.9670 55.0386 41.6267 176.9758 28 G 4.1310 8.1118 105.9914 44.9515 0.0000 173.1997 29 N 4.6325 8.8680 118.8293 52.4795 40.0244 174.5101 30 W 4.9609 8.7460 123.6525 56.6292 30.0006 175.6675 31 V 4.4598 9.1022 125.6628 61.2611 33.8259 174.7091 32 T 4.7470 8.6971 124.6876 63.4041 68.6811 174.0307 33 S 4.9476 9.2442 123.6244 56.6754 66.1003 173.4498 34 E 5.1098 8.6276 121.3779 54.5103 33.1428 174.6647 35 L 4.6195 8.8497 126.3745 52.9846 45.1768 175.2226 36 D 4.8903 8.7374 126.4317 54.2037 40.6394 176.9925 37 L 3.9334 8.8468 126.7830 57.7300 41.9740 179.4085 38 D 4.7638 8.3085 116.3334 55.1608 39.3646 177.0151 39 T 4.5342 7.8175 114.0084 62.7073 68.3631 174.8812 40 I 4.5117 7.3116 111.7326 60.6352 40.2959 174.0444 41 I 4.6106 8.4109 124.1341 59.6923 40.3755 174.7931 42 G 4.4782 9.1055 113.2935 44.3408 0.0000 170.9308 43 N 5.0422 8.7913 119.4699 51.8267 40.0841 174.5047 44 N 4.6101 9.3355 127.5893 53.2171 37.9316 174.0155 45 D 4.4229 9.3297 126.8321 54.8385 38.8487 173.8769 46 G 3.7049 10.4131 99.8889 45.6339 0.0000 173.9292 47 H 4.4293 7.7148 119.5620 54.4672 32.4025 172.4033 48 F 4.3912 8.4672 126.5067 57.8161 39.3517 174.6957 49 Q 4.4359 9.1887 124.1323 53.7826 31.7640 174.3420 50 W 4.1235 8.8525 127.5690 58.5064 29.6236 176.5650 51 G 4.0600 9.5834 116.4550 45.8410 0.0000 174.3277 52 G 3.7104 8.0790 108.3947 46.6264 0.0000 172.6525 53 Q 3.8813 7.9955 124.9177 56.3552 30.8334 172.3701 54 N 4.3242 9.1335 120.0005 54.5463 36.3643 176.6929 55 F 4.4126 8.4169 115.1080 59.3739 38.6505 177.5529 56 T 3.1702 6.9882 111.2378 63.5038 68.6181 175.6340 57 E 4.0364 7.4156 118.8312 58.1240 30.1143 177.2097 58 T 4.6878 8.0939 108.7396 60.9280 70.4366 172.9987 59 A 5.4111 7.5535 122.9166 50.5123 21.8519 175.6887 60 E 4.4981 9.0185 117.9813 53.9101 34.0303 174.2836 61 D 4.3618 8.2582 116.3528 55.2675 39.4409 173.6013 62 I 4.6784 7.4934 119.0114 60.8116 38.3636 177.4222 63 R 4.6740 8.9334 124.3186 54.2700 32.1029 174.1970 64 F 4.9101 9.0366 126.5261 57.5132 40.9267 174.9491 65 H 4.5815 8.6906 126.1425 53.2052 30.0104 172.0283 66 P 3.9828 0.0000 0.0000 64.4280 31.5666 176.8229 67 K 3.9516 7.0918 118.7513 53.1011 32.2271 173.0581 68 E 3.3784 8.7077 122.0134 56.3176 30.5354 176.4716 69 G 3.6712 8.4297 118.3718 47.0133 0.0000 173.3742 70 A 4.1414 8.5551 123.4295 53.2442 18.9012 178.1298 71 A 4.1322 7.8788 117.8439 52.4201 19.1973 177.1133 72 E 3.5226 7.6860 114.3947 57.3130 27.9169 174.5470 73 Q 4.4915 7.7079 119.2255 53.8441 31.2090 172.6411 74 P 5.1216 0.0000 0.0000 62.1744 32.4554 175.0981 75 I 5.1847 9.1322 118.9570 58.8385 41.4044 173.9026 76 L 5.2908 8.9841 127.4029 53.2711 44.4368 175.0588 77 R 5.4087 8.4618 122.4702 54.7962 32.7178 174.4760 78 A 5.2452 8.9695 121.4410 52.0883 23.8474 175.3492 79 R 4.7023 9.4119 119.6422 55.7594 31.3410 176.0817 80 L 4.8654 9.0055 125.7294 53.2340 43.2755 176.1533 81 R 5.3325 9.4537 125.8044 55.2882 31.2744 175.7710 82 D 4.8176 8.4375 124.8124 51.7034 41.5746 176.9791 83 C 4.1925 9.3278 117.0860 62.6233 28.1145 175.3765 84 N 4.3800 8.3756 117.4482 55.1866 38.7373 175.0702 85 G 4.2630 8.0571 107.5137 45.6939 0.0000 172.5996 86 E 5.1501 8.8556 120.6953 54.3401 33.1230 174.0216 87 F 5.4396 7.8474 112.9431 56.3396 41.1670 173.7665 88 H 4.8099 9.4187 119.6308 53.7667 32.8158 172.2631 89 D 4.9120 9.1065 123.9984 54.0432 39.8920 175.8075 90 R 4.9982 9.4450 122.8227 54.2170 34.1262 174.3417 91 D 5.5638 8.7277 118.3016 52.0979 42.4917 175.1522 92 V 4.4592 8.5332 120.0085 59.8435 35.0968 174.8583 93 N 4.9170 8.8397 120.4392 52.9105 38.1711 175.5443 94 L 4.9055 9.1827 123.7489 55.4486 41.8638 179.0996 95 N 4.5237 8.1565 116.9318 55.8485 38.9042 176.5496 96 R 3.7671 7.5155 116.1756 58.5132 30.4194 176.3637 97 I 4.4977 7.6371 120.2046 60.9356 38.1742 175.5049 98 Q 5.1292 9.3647 125.4394 54.0572 33.0974 173.6779 99 N 5.8310 8.5811 118.3960 51.5722 41.5140 173.6432 100 V 4.2685 8.3580 126.5060 61.7388 31.4326 174.0352 101 N 4.1846 9.7172 123.1332 54.7477 37.2887 174.2330 102 G 4.3899 8.7549 103.5030 44.7217 0.0000 174.0368 103 R 4.7242 7.9035 114.2852 53.9358 33.0259 174.0044 104 L 4.9507 8.5121 121.8078 53.7655 42.9436 176.4397 105 V 4.6793 8.6796 123.6362 59.7612 34.8412 174.8280 106 F 4.5653 9.1574 119.1503 56.4424 39.2461 175.1626 107 Q 3.6595 7.8086 121.3032 56.1998 28.8123 174.6431 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 8.30 4.38 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.60 0.00 2 S 7.38 4.45 0.00 3.91 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 3 Y 9.75 4.12 0.00 3.09 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 4 A 7.10 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 D 7.58 4.36 0.00 2.56 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 6 S 8.32 4.88 0.00 3.74 3.75 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 7 S 8.02 5.78 0.00 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 0.00 8 R 8.05 4.58 0.00 1.66 1.69 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.38 0.00 9 N 8.69 4.12 0.00 2.81 2.89 0.00 0.00 7.35 8.00 0.00 0.00 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 A 8.11 4.78 1.64 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 11 V 9.19 4.83 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 0.95 0.00 0.00 1.07 0.00 0.00 12 L 8.83 4.76 0.00 1.85 1.61 0.61 0.99 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 13 T 8.84 4.66 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 1.22 0.00 0.00 14 N 9.49 4.25 0.00 2.83 2.92 0.00 0.00 7.20 7.96 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 15 G 7.88 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 0.00 0.00 0.00 16 G 8.50 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 17 R 7.86 4.54 0.00 1.74 2.07 0.00 2.99 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 18 T 8.36 4.85 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 1.19 0.00 0.00 19 L 9.09 4.43 0.00 1.47 1.56 0.12 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.48 5.06 0.00 1.91 1.90 0.00 3.34 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 21 A 9.13 4.97 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 22 E 9.59 5.14 0.00 1.73 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 2.27 2.37 0.00 23 C 8.96 5.88 0.00 2.98 3.09 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 24 R 8.61 4.79 0.00 2.31 2.03 0.00 3.46 0.00 0.00 3.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 25 N 9.24 4.87 0.00 3.09 3.03 0.00 0.00 6.86 7.63 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 26 A 8.06 4.08 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 27 D 8.13 4.42 0.00 2.64 2.88 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 0.00 0.00 0.00 28 G 8.11 4.13 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 0.00 0.00 0.00 29 N 8.87 4.63 0.00 2.86 2.79 0.00 0.00 6.99 7.22 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 30 W 8.75 4.96 0.00 3.23 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 V 9.10 4.46 2.21 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 1.17 0.00 0.00 1.10 0.00 0.00 32 T 8.70 4.75 4.28 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 1.24 0.00 0.00 33 S 9.24 4.95 0.00 3.71 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 34 E 8.63 5.11 0.00 1.78 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 0.00 2.20 2.27 0.00 35 L 8.85 4.62 0.00 1.62 1.37 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.74 4.89 0.00 2.82 2.81 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 37 L 8.85 3.93 0.00 1.97 1.72 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.31 4.76 0.00 2.81 2.91 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 39 T 7.82 4.53 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 1.30 0.00 0.00 40 I 7.31 4.51 0.56 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.66 0.75 0.00 0.00 41 I 8.41 4.61 1.28 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.80 -0.31 0.00 0.00 42 G 9.11 4.48 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 0.00 43 N 8.79 5.04 0.00 2.67 2.72 0.00 0.00 6.83 7.88 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 44 N 9.34 4.61 0.00 2.72 2.82 0.00 0.00 6.92 9.00 0.00 0.00 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 D 9.33 4.42 0.00 2.78 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 46 G 10.41 3.70 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 0.00 0.00 0.00 47 H 7.71 4.43 0.00 3.33 3.30 0.00 5.79 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 F 8.47 4.39 0.00 2.72 2.43 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 49 Q 9.19 4.44 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.01 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 50 W 8.85 4.12 0.00 3.37 3.44 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 51 G 9.58 4.06 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 0.00 0.00 0.00 52 G 8.08 3.71 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 0.00 0.00 0.00 53 Q 8.00 3.88 0.00 2.35 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.55 0.00 0.00 0.00 0.00 0.00 2.26 2.61 0.00 54 N 9.13 4.32 0.00 2.93 3.14 0.00 0.00 6.67 8.01 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 55 F 8.42 4.41 0.00 3.16 3.37 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 56 T 6.99 3.17 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 0.30 0.00 0.00 57 E 7.42 4.04 0.00 2.17 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 2.59 2.20 0.00 58 T 8.09 4.69 4.22 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 0.00 0.00 0.00 1.19 0.00 0.00 59 A 7.55 5.41 1.16 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 0.00 0.00 0.00 60 E 9.02 4.50 0.00 1.87 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 2.12 2.40 0.00 61 D 8.26 4.36 0.00 2.85 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.49 4.68 1.92 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 1.58 0.65 1.09 0.00 0.00 63 R 8.93 4.67 0.00 1.88 2.04 0.00 2.92 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.56 0.00 64 F 9.04 4.91 0.00 3.00 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 65 H 8.69 4.58 0.00 3.12 3.11 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 66 P 0.00 3.98 0.00 2.11 2.20 0.00 3.16 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 1.79 1.98 0.00 67 K 7.09 3.95 0.00 1.56 1.63 0.00 1.50 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.21 1.29 7.81 68 E 8.71 3.38 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 2.29 2.26 0.00 69 G 8.43 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.56 4.14 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 71 A 7.88 4.13 1.30 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 0.00 0.00 0.00 72 E 7.69 3.52 0.00 2.03 1.92 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 2.18 2.16 0.00 73 Q 7.71 4.49 0.00 2.10 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.10 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 74 P 0.00 5.12 0.00 2.48 2.37 0.00 4.05 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.71 0.00 75 I 9.13 5.18 2.00 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 1.29 0.78 1.00 0.00 0.00 76 L 8.98 5.29 0.00 1.76 1.28 0.77 0.98 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 77 R 8.46 5.41 0.00 2.07 2.06 0.00 3.34 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 78 A 8.97 5.25 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 0.00 0.00 0.00 0.00 0.00 0.00 79 R 9.41 4.70 0.00 1.75 2.05 0.00 3.39 0.00 0.00 3.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 80 L 9.01 4.87 0.00 1.61 1.63 0.67 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 81 R 9.45 5.33 0.00 1.81 2.00 0.00 3.25 0.00 0.00 3.13 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.59 0.00 82 D 8.44 4.82 0.00 3.01 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 83 C 9.33 4.19 0.00 2.93 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 84 N 8.38 4.38 0.00 2.64 3.22 0.00 0.00 7.21 7.97 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 85 G 8.06 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 0.00 0.00 0.00 0.00 86 E 8.86 5.15 0.00 1.84 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 2.51 2.17 0.00 87 F 7.85 5.44 0.00 2.99 2.97 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 88 H 9.42 4.81 0.00 2.99 3.16 0.00 5.62 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 D 9.11 4.91 0.00 2.77 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 90 R 9.45 5.00 0.00 1.51 1.96 0.00 3.28 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 91 D 8.73 5.56 0.00 2.67 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.53 4.46 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 -0.07 0.00 0.00 0.57 0.00 0.00 93 N 8.84 4.92 0.00 2.97 2.93 0.00 0.00 7.14 6.79 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 94 L 9.18 4.91 0.00 2.09 2.00 0.96 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 95 N 8.16 4.52 0.00 2.73 2.89 0.00 0.00 7.17 7.71 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 96 R 7.52 3.77 0.00 0.79 1.14 0.00 3.40 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.29 0.00 97 I 7.64 4.50 1.79 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 1.13 0.21 0.52 0.00 0.00 98 Q 9.36 5.13 0.00 1.86 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.25 2.20 0.00 99 N 8.58 5.83 0.00 2.92 2.72 0.00 0.00 7.17 7.87 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 0.00 100 V 8.36 4.27 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 1.02 0.00 0.00 0.91 0.00 0.00 101 N 9.72 4.18 0.00 2.87 2.86 0.00 0.00 7.47 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 0.00 102 G 8.75 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 0.00 0.00 0.00 0.00 103 R 7.90 4.72 0.00 1.94 1.99 0.00 2.76 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 104 L 8.51 4.95 0.00 1.45 1.43 0.73 0.72 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 0.00 105 V 8.68 4.68 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 0.76 0.00 0.00 0.86 0.00 0.00 106 F 9.16 4.57 0.00 2.50 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 0.00 107 Q 7.81 3.66 0.00 1.78 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.49 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00