NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4164 8.3001 120.3275 55.5400 33.2961 174.6769 2 A 4.4441 8.2133 121.3463 50.3881 20.8326 172.5061 3 V 3.7335 8.4563 117.0956 61.6325 32.8549 174.5075 4 E 4.2558 8.5006 122.5220 56.1171 30.2031 175.7992 5 E 4.6075 8.2410 121.1152 54.5607 32.4078 175.0441 6 V 3.7053 7.8066 124.4834 59.8124 32.8191 175.1936 7 I 4.4720 9.0906 125.2583 59.5555 39.4603 174.1128 8 E 5.2518 8.8143 127.8348 54.5243 32.1082 174.8232 9 M 4.7417 9.2313 124.2906 55.2634 34.5814 175.0104 10 Q 3.4189 9.8604 121.0332 57.1516 26.6814 174.8420 11 G 3.9565 8.2993 103.0370 45.3654 0.0000 172.3900 12 L 5.1443 7.9864 122.6398 52.8730 44.9272 175.1725 13 S 5.2136 9.3895 120.9557 56.3986 66.1272 172.5657 14 L 5.1566 9.1851 126.1760 53.1544 45.2787 174.2511 15 D 5.1610 9.1147 126.6489 52.0535 42.2475 175.1603 16 P 4.5988 0.0000 0.0000 65.8136 31.8911 178.4654 17 T 3.9723 8.0969 114.2516 66.4550 68.4460 175.4266 18 S 4.2181 8.5246 113.2660 58.1334 62.9274 172.9942 19 H 3.2943 7.9967 115.0965 57.5625 25.6536 174.5845 20 R 4.6461 8.0623 118.6528 54.5470 33.1211 174.2818 21 V 4.9149 8.5749 125.9764 61.5149 34.2458 174.0659 22 M 5.3345 9.4164 126.4627 53.4968 36.9634 173.9967 23 A 4.8276 8.9260 123.9858 50.4078 21.8968 176.6836 24 G 4.0071 9.6432 112.0528 46.6910 0.0000 173.0419 25 E 3.7944 8.4794 115.0576 57.0166 26.9815 174.0753 26 E 4.6496 7.9564 118.2117 53.3524 32.4217 173.1096 27 P 4.9772 0.0000 0.0000 63.0069 32.2781 175.3112 28 L 5.0089 8.8635 120.5568 53.0558 45.3515 175.8048 29 E 4.9244 8.5347 119.7408 54.9802 32.4984 175.2406 30 M 4.5980 8.4492 119.2806 52.9520 33.8515 174.9297 31 G 3.8950 8.3388 107.4110 43.7593 0.0000 172.7696 32 P 4.2860 0.0000 0.0000 65.8089 31.4988 178.7284 33 T 3.6091 7.7170 115.1878 66.2867 68.3130 176.3335 34 E 3.9307 8.0413 120.0964 59.2716 29.5665 178.9377 35 F 3.8837 8.3909 120.8050 61.1491 39.3890 177.0979 36 K 3.9485 8.1673 119.2523 59.3140 31.8975 178.5022 37 L 3.6563 7.7064 120.6415 57.9334 41.9770 178.7053 38 L 3.8103 7.9251 120.3571 58.3057 41.9763 178.3694 39 H 3.9743 8.2170 118.5869 59.0940 29.5219 176.9804 40 F 3.8071 7.9452 121.4239 61.2280 39.5384 176.8181 41 F 4.3350 7.9081 117.4674 60.8542 38.4299 177.5949 42 M 4.1729 7.9137 117.3057 57.6657 31.8328 178.0963 43 T 4.1388 7.4381 108.4402 62.5973 70.6560 174.4090 44 H 4.9432 7.4381 117.9191 53.7609 29.2175 171.5099 45 P 4.7579 0.0000 0.0000 63.6561 32.8721 176.0568 46 E 3.7090 9.4504 118.5984 56.6712 27.9161 174.4119 47 R 4.5443 7.6635 115.8727 54.8067 33.5535 173.5201 48 V 4.3437 8.0313 124.5173 62.3908 32.8406 174.5212 49 Y 5.1269 9.1109 125.2101 56.1007 41.3905 175.7037 50 S 5.0088 9.4331 119.2307 57.3482 64.4746 175.6585 51 R 4.0676 8.7227 119.3049 59.3730 29.6947 179.1240 52 E 3.9361 8.1893 118.0316 59.5861 29.4861 179.2593 53 Q 4.0705 7.8369 116.5570 58.9501 28.7638 178.7864 54 L 3.7665 8.0021 119.9600 57.6233 41.6060 179.5371 55 L 4.1032 8.1910 119.1804 57.9895 41.3716 179.3941 56 N 4.3242 8.2105 116.2788 56.5732 38.2378 177.3635 57 H 4.0139 7.9338 116.4386 58.3911 28.8086 177.3599 58 V 3.7147 7.6309 118.2527 64.7881 31.9185 177.2164 59 W 3.9279 8.2320 116.7485 60.4337 29.4691 176.0532 60 G 4.2645 8.3459 104.7083 43.4952 0.0000 175.0167 61 T 4.1339 8.4974 111.3832 63.7908 68.8609 175.0627 62 N 4.8164 8.0350 115.8474 52.4610 39.0992 174.6758 63 V 4.0716 7.2401 117.8707 61.7977 32.5413 174.7888 64 Y 4.8268 7.6766 123.5486 55.2929 40.1497 174.9244 65 V 4.4275 7.9187 115.8009 60.0819 36.2474 173.3598 66 E 4.2457 8.3682 119.8752 56.1032 30.2228 178.2150 67 D 4.2416 8.5453 120.5221 57.3929 40.9244 178.3580 68 R 4.6285 7.7982 115.9643 56.6651 30.6582 178.1793 69 T 3.9939 7.7869 117.2577 66.5053 68.2611 176.6241 70 V 3.6421 7.3953 119.7346 66.0671 31.5669 177.6637 71 D 4.5132 8.2163 118.1277 57.6192 40.7404 178.9776 72 V 3.6428 7.5286 117.1858 66.4179 31.4769 177.8505 73 H 4.3240 8.4747 116.0073 58.7959 28.4471 177.8121 74 I 3.6804 8.4004 122.2351 64.3094 36.8139 178.3658 75 R 3.8839 8.0682 119.4794 59.5450 29.9444 178.7692 76 R 3.9382 8.1403 117.8485 59.1112 30.1618 178.8503 77 L 3.9819 8.3511 120.4888 58.2149 42.1530 179.1891 78 R 3.9362 8.2617 118.3146 59.1889 29.7957 178.8702 79 K 3.9156 8.2516 118.3803 59.5526 32.2224 178.3245 80 A 4.1499 7.9742 120.0466 54.6537 18.5743 178.7670 81 L 4.4035 7.8532 115.3333 55.3223 42.2008 178.5332 82 E 4.2681 8.3987 122.1049 58.1783 29.4567 176.6585 83 P 4.4138 0.0000 0.0000 64.4984 31.8612 176.8028 84 G 3.7943 8.1335 106.6584 45.2745 0.0000 174.3436 85 G 3.8940 8.1632 107.5636 46.3079 0.0000 174.0061 86 H 4.8351 8.4806 114.7255 54.8932 29.9762 175.2470 87 D 4.5104 8.2944 121.9353 56.4270 39.0364 178.7194 88 R 4.0372 7.8164 114.2275 58.1130 30.0042 177.4876 89 M 3.8389 7.6708 118.2126 58.1106 31.9268 175.6717 90 V 4.0112 7.4534 118.8583 62.4935 31.1535 175.4818 91 Q 4.8447 9.0502 126.7763 54.1707 32.5300 174.6026 92 T 4.9751 8.4524 116.8500 61.9296 71.3161 174.1267 93 V 4.1549 8.5970 127.0430 60.7098 33.0269 174.8161 94 R 3.9565 8.4001 128.9851 57.6074 30.3290 176.8180 95 G 3.9767 9.3567 112.8443 46.0955 0.0000 173.0609 96 T 4.5642 7.6322 114.6711 62.6119 72.9945 174.2647 97 G 4.1947 7.0299 112.0635 46.3853 0.0000 172.5478 98 Y 5.4608 8.9496 122.8109 56.5189 42.8671 173.4071 99 R 5.2801 9.1924 119.8476 55.0763 34.3521 173.2738 100 F 5.2595 8.8704 125.6793 56.6229 42.4372 173.7343 101 S 4.7973 7.4228 118.6497 56.9162 65.0639 174.1469 102 T 3.8766 8.5206 115.9772 64.7288 68.6280 174.1561 103 R 4.6323 7.5574 119.5911 56.5878 36.9493 174.0108 104 F 4.4628 8.0747 123.4425 58.1811 39.4220 175.3272 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 4.42 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 2 A 8.21 4.44 1.29 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 0.00 0.00 3 V 8.46 3.73 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 0.85 0.00 0.00 0.93 0.00 0.00 4 E 8.50 4.26 0.00 1.99 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 2.33 2.30 0.00 5 E 8.24 4.61 0.00 1.87 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 2.18 2.27 0.00 6 V 7.81 3.71 2.26 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 0.76 0.00 0.00 0.96 0.00 0.00 7 I 9.09 4.47 1.86 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 1.12 0.65 0.92 0.00 0.00 8 E 8.81 5.25 0.00 1.93 1.81 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 2.18 2.27 0.00 9 M 9.23 4.74 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.58 0.00 10 Q 9.86 3.42 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 5.98 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 11 G 8.30 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 12 L 7.99 5.14 0.00 1.44 1.63 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 13 S 9.39 5.21 0.00 3.84 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 14 L 9.19 5.16 0.00 1.59 1.45 0.34 0.73 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 15 D 9.11 5.16 0.00 2.77 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.60 0.00 2.19 2.08 0.00 3.76 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 2.03 2.01 0.00 17 T 8.10 3.97 4.35 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 1.18 0.00 0.00 18 S 8.52 4.22 0.00 3.78 3.85 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 19 H 8.00 3.29 0.00 3.03 2.53 0.00 5.71 0.00 0.00 0.00 0.00 8.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.06 4.65 0.00 1.92 1.78 0.00 3.11 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 21 V 8.57 4.91 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 0.96 0.00 0.00 1.11 0.00 0.00 22 M 9.42 5.33 0.00 1.92 1.88 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 2.53 2.49 0.00 23 A 8.93 4.83 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 24 G 9.64 4.01 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 0.00 0.00 0.00 25 E 8.48 3.79 0.00 2.14 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 2.22 2.23 0.00 26 E 7.96 4.65 0.00 1.99 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 2.20 2.21 0.00 27 P 0.00 4.98 0.00 2.13 2.05 0.00 3.77 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 2.00 2.01 0.00 28 L 8.86 5.01 0.00 1.50 1.60 0.95 0.81 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 29 E 8.53 4.92 0.00 1.81 1.82 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 2.21 2.28 0.00 30 M 8.45 4.60 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.65 0.00 31 G 8.34 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 32 P 0.00 4.29 0.00 2.18 2.20 0.00 3.67 0.00 0.00 3.72 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 33 T 7.72 3.61 4.08 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 0.30 0.00 0.00 34 E 8.04 3.93 0.00 2.25 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 2.43 2.46 0.00 35 F 8.39 3.88 0.00 3.20 3.12 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 0.00 36 K 8.17 3.95 0.00 1.92 1.59 0.00 1.62 0.00 0.00 1.40 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.40 7.81 37 L 7.71 3.66 0.00 1.61 1.68 0.61 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.93 3.81 0.00 1.78 1.51 0.80 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 39 H 8.22 3.97 0.00 2.87 3.29 0.00 5.66 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 7.95 3.81 0.00 2.84 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 41 F 7.91 4.34 0.00 2.75 1.68 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 0.00 0.00 0.00 0.00 42 M 7.91 4.17 0.00 1.90 2.04 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 2.40 2.58 0.00 43 T 7.44 4.14 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 1.12 0.00 0.00 44 H 7.44 4.94 0.00 2.94 3.32 0.00 5.65 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.76 0.00 2.27 2.32 0.00 3.92 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 46 E 9.45 3.71 0.00 2.11 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 0.00 2.23 2.29 0.00 47 R 7.66 4.54 0.00 1.74 1.75 0.00 3.21 0.00 0.00 3.10 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 1.35 0.00 48 V 8.03 4.34 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 0.89 0.00 0.00 0.91 0.00 0.00 49 Y 9.11 5.13 0.00 3.30 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 50 S 9.43 5.01 0.00 3.98 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 51 R 8.72 4.07 0.00 1.87 2.01 0.00 3.12 0.00 0.00 3.60 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.75 0.00 52 E 8.19 3.94 0.00 2.03 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 2.38 2.40 0.00 53 Q 7.84 4.07 0.00 2.57 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 54 L 8.00 3.77 0.00 1.97 1.89 1.34 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.19 4.10 0.00 1.76 1.63 0.74 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 56 N 8.21 4.32 0.00 2.67 2.77 0.00 0.00 7.36 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 57 H 7.93 4.01 0.00 2.34 2.26 0.00 5.64 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 58 V 7.63 3.71 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 0.09 0.00 0.00 0.50 0.00 0.00 59 W 8.23 3.93 0.00 3.52 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 60 G 8.35 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 61 T 8.50 4.13 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 1.24 0.00 0.00 62 N 8.03 4.82 0.00 2.76 2.93 0.00 0.00 6.82 7.69 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 63 V 7.24 4.07 2.28 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 0.73 0.00 0.00 0.99 0.00 0.00 64 Y 7.68 4.83 0.00 3.05 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 65 V 7.92 4.43 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 0.74 0.00 0.00 0.56 0.00 0.00 66 E 8.37 4.25 0.00 1.96 1.83 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 2.39 2.27 0.00 67 D 8.55 4.24 0.00 2.74 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 68 R 7.80 4.63 0.00 1.83 1.95 0.00 3.40 0.00 0.00 3.51 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 69 T 7.79 3.99 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 1.39 0.00 0.00 70 V 7.40 3.64 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 1.30 0.00 0.00 0.35 0.00 0.00 71 D 8.22 4.51 0.00 3.06 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 72 V 7.53 3.64 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 0.98 0.00 0.00 1.00 0.00 0.00 73 H 8.47 4.32 0.00 3.77 3.56 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 I 8.40 3.68 1.93 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 1.47 -0.05 0.58 0.00 0.00 75 R 8.07 3.88 0.00 1.96 2.14 0.00 3.16 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 76 R 8.14 3.94 0.00 2.10 1.98 0.00 3.07 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 77 L 8.35 3.98 0.00 1.85 1.84 0.99 0.97 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 78 R 8.26 3.94 0.00 2.03 1.97 0.00 3.17 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 79 K 8.25 3.92 0.00 1.82 2.06 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.48 7.81 80 A 7.97 4.15 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.85 4.40 0.00 1.78 1.73 1.01 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.40 4.27 0.00 2.26 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 2.32 2.19 0.00 83 P 0.00 4.41 0.00 2.23 2.17 0.00 4.02 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 1.97 0.00 84 G 8.13 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 85 G 8.16 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 86 H 8.48 4.84 0.00 3.24 3.32 0.00 5.83 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.29 4.51 0.00 2.83 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 88 R 7.82 4.04 0.00 1.90 2.07 0.00 3.00 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 89 M 7.67 3.84 0.00 1.23 1.87 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.26 0.00 90 V 7.45 4.01 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 0.53 0.00 0.00 1.04 0.00 0.00 91 Q 9.05 4.84 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.80 0.00 0.00 0.00 0.00 0.00 2.20 2.45 0.00 92 T 8.45 4.98 4.31 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 1.21 0.00 0.00 93 V 8.60 4.15 2.12 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 0.98 0.00 0.00 0.93 0.00 0.00 94 R 8.40 3.96 0.00 1.78 1.80 0.00 3.47 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 95 G 9.36 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.63 4.56 4.19 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 0.00 0.00 0.00 1.19 0.00 0.00 97 G 7.03 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 8.95 5.46 0.00 3.22 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 99 R 9.19 5.28 0.00 1.91 1.74 0.00 3.02 0.00 0.00 3.06 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.78 0.00 100 F 8.87 5.26 0.00 2.68 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 0.00 101 S 7.42 4.80 0.00 3.73 3.47 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 0.00 102 T 8.52 3.88 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 1.20 0.00 0.00 103 R 7.56 4.63 0.00 1.72 1.92 0.00 3.27 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.75 0.00 104 F 8.07 4.46 0.00 2.92 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