NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 K 4.2128 8.3101 120.1345 55.9567 32.5711 174.6334 14 A 3.8337 8.1793 129.9358 52.3789 18.6667 175.0983 15 K 4.6043 7.6595 113.5536 52.8104 36.9888 175.7287 16 T 3.9869 8.4556 114.6921 62.0141 70.4922 175.6160 17 R 4.0232 8.6578 122.7048 59.2554 30.0356 179.5585 18 S 4.1880 8.0432 115.2353 61.5835 62.7950 176.5551 19 S 3.7572 7.8710 116.2044 61.3082 62.6221 176.7269 20 R 3.9052 7.9970 120.9518 58.5534 29.8849 177.9336 21 A 4.4168 7.8115 118.2023 51.6038 19.3097 177.2495 22 G 3.7852 7.7918 105.1080 46.5791 0.0000 173.5720 23 L 4.9354 8.4896 118.5152 52.6255 45.1354 177.1054 24 Q 4.2970 9.1689 119.4201 58.1091 29.4231 177.1502 25 F 4.1361 9.2663 116.9317 56.4806 39.5374 174.7184 26 P 4.5240 0.0000 0.0000 61.7248 30.5564 176.9856 27 V 3.7128 8.5558 125.5346 66.6738 31.5530 177.4316 28 G 3.8402 8.2525 104.5347 48.0501 0.0000 175.2717 29 R 3.8875 7.9304 120.6339 59.1306 30.2809 178.3430 30 V 3.6655 8.0163 118.2251 66.3480 31.4099 177.4247 31 H 4.1278 8.6443 118.1194 59.3791 29.9128 177.1305 32 R 3.9382 8.0776 120.4699 59.6238 29.6613 178.4797 33 L 4.1290 8.2715 118.0815 57.5854 41.7095 179.2128 34 L 4.4239 8.0219 119.2410 57.8251 41.6969 179.7339 35 R 4.0015 7.9671 117.7765 59.1491 29.9632 179.0863 36 K 4.2944 7.8495 115.7991 58.8033 32.6747 178.8063 37 G 3.2024 7.6546 106.8648 45.1974 0.0000 172.9656 38 N 4.1067 7.5460 116.7042 54.6152 36.3897 174.3312 39 Y 4.4534 7.8690 115.8620 59.6119 38.4821 176.2042 40 A 4.7759 7.5333 119.9462 50.0467 22.5770 176.1406 41 E 4.1118 8.8640 119.9671 58.7921 29.7293 176.7015 42 R 4.7494 7.2740 112.2556 54.4554 34.2454 174.7984 43 V 4.2513 8.1322 118.2846 61.3915 33.3537 174.5773 44 G 3.8388 8.6959 116.1801 45.5356 0.0000 173.5901 45 A 3.8409 8.5004 122.6286 54.6196 18.8865 180.1915 46 G 3.7566 8.1122 102.1686 47.3204 0.0000 175.8448 47 A 4.0031 7.5152 123.2530 54.7043 18.3963 178.0067 48 P 4.1944 0.0000 0.0000 65.7267 31.3304 178.6519 49 V 3.5604 7.7763 117.7862 65.9942 31.5793 176.7785 50 Y 3.9001 8.3597 119.4583 60.9034 38.5541 178.2694 51 L 4.0560 8.4466 120.9770 58.0992 42.2022 178.6406 52 A 4.0227 8.3585 120.7197 55.0967 18.2421 179.3318 53 A 3.8468 8.1795 119.3301 55.4238 18.5547 180.0556 54 V 3.5888 7.7980 116.6055 66.0465 31.4880 178.3337 55 L 3.8579 8.0561 118.9411 57.5285 41.4204 178.7064 56 E 2.5561 7.3219 119.1799 59.0906 29.3578 178.0096 57 Y 4.1295 8.0624 119.5261 61.0354 38.8435 178.3793 58 L 3.4535 7.6106 118.9935 57.7878 41.5441 179.7119 59 T 3.8132 7.9998 115.7559 66.4314 68.3345 176.2911 60 A 3.9202 7.9605 122.6800 55.2274 18.5544 178.8997 61 E 3.7070 7.8870 117.7906 59.6986 29.5500 179.3978 62 I 3.6640 7.6487 119.2361 64.4331 37.1639 178.3925 63 L 4.0425 8.1028 120.0772 57.9016 41.4060 178.6774 64 E 3.9339 8.9042 119.5647 59.6703 29.4686 178.9431 65 L 3.9472 8.0098 117.6900 57.8590 41.6562 179.4912 66 A 4.1215 8.3497 119.7522 55.0948 18.4551 179.4950 67 G 3.7036 8.7035 104.5626 48.2448 0.0000 175.2702 68 N 4.1822 8.3083 119.3700 56.1174 38.1409 177.3372 69 A 4.2865 8.3108 122.7580 54.0897 18.3345 179.6841 70 A 3.5774 8.0687 119.9754 55.5890 18.3757 179.0627 71 R 3.7224 8.1322 116.1939 60.1430 29.6954 177.7496 72 D 4.0303 8.3421 118.2027 57.1710 40.7264 178.3061 73 N 4.8942 7.3482 112.7969 52.1408 39.0979 174.7594 74 K 3.9249 9.0476 119.4650 57.5897 29.6795 176.0264 75 K 4.7467 8.2559 116.0515 55.0205 35.9989 176.6849 76 T 4.4185 8.4756 109.1567 61.1764 70.5067 173.9464 77 R 4.5091 7.7050 122.4981 54.0587 31.6696 175.2054 78 I 3.9244 8.4420 126.9434 61.3673 37.7841 175.5438 79 I 4.4573 8.3172 118.3595 58.1596 40.3674 174.5545 80 P 4.1963 0.0000 0.0000 65.9053 30.8579 178.4617 81 R 3.8285 8.0431 116.7364 60.0955 29.6601 177.8321 82 H 4.2385 7.8418 115.1746 59.0424 28.7573 177.8431 83 L 3.9870 7.9020 120.2003 57.5893 41.3610 179.3079 84 Q 3.9371 8.3205 119.8112 59.2600 28.9485 178.2003 85 L 3.9572 8.3147 120.1811 57.4698 41.3491 179.2361 86 A 3.9843 7.9962 120.3186 55.2986 18.7807 179.6622 87 V 3.6742 7.7998 116.4328 66.3219 31.5077 178.5048 88 R 4.0866 8.0859 116.1840 58.4085 29.9982 177.6788 89 N 4.8513 7.6654 114.4079 52.1514 39.0155 174.0219 90 D 4.8186 7.5607 121.3378 51.8727 43.3876 175.5950 91 E 3.9228 9.0945 127.5440 59.6964 29.5209 178.6685 92 E 3.9362 8.1138 117.6235 59.5417 29.7487 179.1105 93 L 3.9689 8.7180 119.3921 57.8803 41.3939 179.2153 94 N 4.3485 8.2504 116.5291 56.2757 39.0139 176.6834 95 K 4.0768 7.9439 121.1542 59.4375 32.1387 178.6107 96 L 4.0319 7.9864 119.4363 57.0183 42.5112 177.8326 97 L 4.8787 7.9715 119.2214 54.3044 42.9350 178.7903 98 G 3.7088 7.8845 109.7622 47.6641 0.0000 175.6079 99 R 4.5690 7.9450 117.1544 55.6600 30.7717 175.2697 100 V 4.4066 7.3687 116.9222 61.2240 33.5004 175.0531 101 T 4.5151 8.2911 121.9069 61.7362 70.6305 173.6164 102 I 4.1202 8.2995 127.5536 59.6541 37.8803 175.7321 103 A 4.0551 8.5010 128.9122 53.4020 18.8931 176.5661 104 Q 3.4903 8.5608 118.6219 57.2089 26.2557 174.9325 105 G 3.7952 8.2992 105.9340 44.5608 0.0000 175.8046 106 G 3.8715 7.9602 107.5119 45.7015 0.0000 172.5676 107 V 4.5576 7.8808 110.0144 58.9142 35.3813 175.4513 108 L 4.1109 8.2692 121.5999 54.0032 42.0427 175.6646 109 P 4.2320 0.0000 0.0000 62.8096 31.5336 175.8756 110 N 4.4734 8.4380 120.2644 53.1362 40.7745 173.1749 111 I 4.4757 8.1462 127.0179 59.0491 39.5762 175.8576 112 Q 4.1334 8.5624 124.4269 55.8893 29.4205 177.8783 113 S 4.1763 8.7489 116.9501 61.2779 63.2115 176.2919 114 V 3.8399 7.7304 118.0723 62.9172 31.2671 176.2850 115 L 4.4169 7.6995 119.8652 54.9030 42.1621 176.5781 116 L 4.2606 7.8033 120.1935 53.4272 42.2502 174.7343 117 P 3.9900 0.0000 0.0000 63.2227 32.0424 176.1469 118 K 4.1528 8.6981 120.2181 57.4944 33.8193 174.8782 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 13 K 8.31 4.21 0.00 1.77 1.85 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.45 7.81 14 A 8.18 3.83 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 15 K 7.66 4.60 0.00 1.71 1.70 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.33 7.81 16 T 8.46 3.99 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 1.22 0.00 0.00 17 R 8.66 4.02 0.00 1.91 2.06 0.00 3.17 0.00 0.00 3.37 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 18 S 8.04 4.19 0.00 3.89 4.18 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 19 S 7.87 3.76 0.00 4.08 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 20 R 8.00 3.91 0.00 1.98 2.04 0.00 3.16 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 21 A 7.81 4.42 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 22 G 7.79 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 L 8.49 4.94 0.00 1.59 1.84 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 9.17 4.30 0.00 2.32 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.96 0.00 0.00 0.00 0.00 0.00 2.56 2.40 0.00 25 F 9.27 4.14 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 26 P 0.00 4.52 0.00 2.27 2.20 0.00 3.71 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.93 0.00 27 V 8.56 3.71 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 1.14 0.00 0.00 1.03 0.00 0.00 28 G 8.25 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 0.00 0.00 0.00 29 R 7.93 3.89 0.00 1.90 2.13 0.00 3.20 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 30 V 8.02 3.67 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 0.99 0.00 0.00 1.11 0.00 0.00 31 H 8.64 4.13 0.00 3.38 3.41 0.00 5.65 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 32 R 8.08 3.94 0.00 1.95 2.10 0.00 3.16 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 33 L 8.27 4.13 0.00 1.86 1.82 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.02 4.42 0.00 2.01 1.83 0.89 0.83 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 35 R 7.97 4.00 0.00 1.89 2.01 0.00 3.13 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.99 0.00 36 K 7.85 4.29 0.00 1.94 1.95 0.00 1.60 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.44 7.81 37 G 7.65 3.20 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 0.00 0.00 0.00 0.00 0.00 0.00 38 N 7.55 4.11 0.00 2.71 2.77 0.00 0.00 6.95 6.92 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 39 Y 7.87 4.45 0.00 2.98 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 40 A 7.53 4.78 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 41 E 8.86 4.11 0.00 1.95 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 2.30 2.35 0.00 42 R 7.27 4.75 0.00 1.78 1.79 0.00 3.21 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 43 V 8.13 4.25 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 0.69 0.00 0.00 1.00 0.00 0.00 44 G 8.70 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 0.00 0.00 0.00 45 A 8.50 3.84 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 46 G 8.11 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 47 A 7.52 4.00 1.28 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 0.00 0.00 48 P 0.00 4.19 0.00 2.30 2.32 0.00 3.64 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.74 0.00 49 V 7.78 3.56 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 1.10 0.00 0.00 0.99 0.00 0.00 50 Y 8.36 3.90 0.00 3.24 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 51 L 8.45 4.06 0.00 1.80 1.79 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.36 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 53 A 8.18 3.85 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 54 V 7.80 3.59 2.31 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 1.09 0.00 0.00 1.19 0.00 0.00 55 L 8.06 3.86 0.00 1.45 1.61 1.02 0.98 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 56 E 7.32 2.56 0.00 1.53 1.87 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 2.25 2.32 0.00 57 Y 8.06 4.13 0.00 2.97 2.90 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 58 L 7.61 3.45 0.00 1.80 1.58 0.97 0.60 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 59 T 8.00 3.81 4.41 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 1.36 0.00 0.00 60 A 7.96 3.92 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 61 E 7.89 3.71 0.00 1.46 1.77 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 2.12 2.29 0.00 62 I 7.65 3.66 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.50 0.89 0.00 0.00 63 L 8.10 4.04 0.00 1.79 1.72 0.95 1.12 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 64 E 8.90 3.93 0.00 2.06 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 0.00 2.30 2.40 0.00 65 L 8.01 3.95 0.00 1.75 1.69 0.90 0.68 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 66 A 8.35 4.12 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 67 G 8.70 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 68 N 8.31 4.18 0.00 2.95 2.91 0.00 0.00 7.04 6.50 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 69 A 8.31 4.29 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 70 A 8.07 3.58 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 71 R 8.13 3.72 0.00 1.88 2.00 0.00 3.22 0.00 0.00 3.33 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 72 D 8.34 4.03 0.00 2.88 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 73 N 7.35 4.89 0.00 2.75 2.86 0.00 0.00 7.10 7.49 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 74 K 9.05 3.92 0.00 1.83 1.96 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.54 7.81 75 K 8.26 4.75 0.00 1.73 1.65 0.00 1.77 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.56 7.81 76 T 8.48 4.42 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 77 R 7.71 4.51 0.00 1.77 1.86 0.00 3.25 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 78 I 8.44 3.92 1.89 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 1.47 0.65 0.96 0.00 0.00 79 I 8.32 4.46 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.41 0.92 0.00 0.00 80 P 0.00 4.20 0.00 2.35 2.29 0.00 3.60 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 2.10 2.15 0.00 81 R 8.04 3.83 0.00 1.85 1.80 0.00 3.24 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 82 H 7.84 4.24 0.00 3.40 3.49 0.00 5.69 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 83 L 7.90 3.99 0.00 1.79 1.72 0.93 0.84 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 84 Q 8.32 3.94 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.63 2.44 0.00 85 L 8.31 3.96 0.00 1.73 1.71 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 86 A 8.00 3.98 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 87 V 7.80 3.67 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 1.02 0.00 0.00 0.97 0.00 0.00 88 R 8.09 4.09 0.00 1.81 1.98 0.00 3.39 0.00 0.00 3.31 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.81 0.00 89 N 7.67 4.85 0.00 2.79 2.85 0.00 0.00 6.69 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 90 D 7.56 4.82 0.00 2.82 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 91 E 9.09 3.92 0.00 2.07 1.95 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 2.39 2.42 0.00 92 E 8.11 3.94 0.00 2.06 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 2.41 2.40 0.00 93 L 8.72 3.97 0.00 1.72 1.71 0.88 0.54 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 94 N 8.25 4.35 0.00 2.91 3.12 0.00 0.00 7.18 7.49 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 95 K 7.94 4.08 0.00 1.90 1.97 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.44 7.81 96 L 7.99 4.03 0.00 1.66 1.84 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.97 4.88 0.00 1.72 1.62 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 98 G 7.88 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 99 R 7.95 4.57 0.00 1.78 1.91 0.00 3.34 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 100 V 7.37 4.41 2.23 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 0.80 0.00 0.00 0.94 0.00 0.00 101 T 8.29 4.52 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 1.21 0.00 0.00 102 I 8.30 4.12 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 1.35 0.50 0.91 0.00 0.00 103 A 8.50 4.06 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 0.00 104 Q 8.56 3.49 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 105 G 8.30 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 0.00 106 G 7.96 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 0.00 107 V 7.88 4.56 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 0.78 0.00 0.00 0.93 0.00 0.00 108 L 8.27 4.11 0.00 1.63 1.60 0.96 1.04 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 0.00 109 P 0.00 4.23 0.00 2.04 2.01 0.00 3.72 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 110 N 8.44 4.47 0.00 2.63 2.67 0.00 0.00 7.08 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 0.00 111 I 8.15 4.48 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 1.41 0.76 0.91 0.00 0.00 112 Q 8.56 4.13 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.30 0.00 113 S 8.75 4.18 0.00 4.00 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 0.00 114 V 7.73 3.84 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 0.74 0.00 0.00 0.93 0.00 0.00 115 L 7.70 4.42 0.00 1.79 1.74 0.92 0.89 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 0.00 116 L 7.80 4.26 0.00 1.79 1.60 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 117 P 0.00 3.99 0.00 2.04 2.00 0.00 3.83 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 2.04 2.13 0.00 118 K 8.70 4.15 0.00 1.99 1.83 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.41 7.81