NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.2721 8.3149 120.1332 55.2327 33.6228 175.9525 5 P 4.2409 0.0000 0.0000 61.8320 33.1801 176.0724 6 I 3.6115 8.6086 120.9987 64.2055 38.2750 177.7676 7 A 3.8198 7.8726 121.3494 54.9010 18.2533 179.3465 8 E 3.7860 8.0297 116.7848 59.5036 29.6159 178.9663 9 Q 3.9084 8.2036 118.2985 59.2771 28.7758 179.2701 10 I 3.5259 7.8092 120.4847 64.2239 37.0890 178.4529 11 G 3.4714 7.8685 106.5560 48.2111 0.0000 175.6982 12 S 4.4128 8.0912 119.8357 60.5229 62.8543 177.2197 13 S 4.1151 8.0408 117.8306 61.3102 62.5666 176.3319 14 F 4.0081 8.4854 124.0385 61.4205 39.1416 177.3614 15 I 3.6845 7.7729 112.4862 63.6424 37.3673 177.9463 16 Q 3.9956 8.2432 121.5919 59.2431 28.8741 177.4199 17 H 3.9859 8.4722 119.6250 59.5409 29.8047 176.0378 18 Y 3.5381 7.6793 121.2685 61.2428 38.4577 178.1718 19 Y 4.1281 7.9224 117.1194 60.6371 37.9079 178.3173 20 Q 3.9752 8.0978 120.8692 59.2404 29.3751 178.3746 21 L 3.8670 7.8319 120.0243 57.5056 41.3751 179.1069 22 F 3.8487 7.8932 119.8560 61.5783 39.3947 176.6455 23 D 4.8648 8.1214 118.1572 57.0571 40.6654 176.7699 24 N 4.8612 8.2805 114.9847 51.9369 40.0268 174.6180 25 D 4.7109 7.8160 126.8903 52.7444 41.6865 176.0415 26 R 4.2733 8.1619 120.7771 55.9770 29.7726 177.4767 27 T 4.3542 7.7223 105.9384 62.1702 69.0911 174.6790 28 Q 4.5643 7.4746 118.6886 55.8890 30.3297 177.5217 29 L 4.0639 7.7673 119.1988 57.3967 42.3111 179.2053 30 G 3.8801 8.4563 107.3727 48.7028 0.0000 175.2437 31 A 4.1175 7.6045 120.5860 54.3093 18.5638 178.1978 32 I 4.1582 7.8136 108.4451 61.6707 38.3895 175.0381 33 Y 5.2364 7.7045 119.3163 56.3627 40.2718 175.4390 34 I 4.4994 8.1384 116.7873 59.5021 40.2014 175.8016 35 D 4.4271 8.5965 118.0384 56.5718 40.8939 177.6881 36 A 4.6899 7.8714 119.8184 51.8637 19.5277 177.0760 37 S 4.7560 7.8883 113.8069 59.2085 64.3911 172.9579 38 C 5.2205 9.1666 122.8783 57.5382 34.7102 172.2845 39 L 5.3966 9.2330 128.0835 53.6172 45.1105 175.0325 40 T 5.2063 9.2227 122.8285 61.8635 71.3342 172.9731 41 W 4.9458 9.5139 135.0000 55.4945 32.2669 176.0227 42 E 4.0494 9.6153 130.1278 57.5891 26.9510 176.3941 43 G 3.9838 8.3930 104.6157 45.5274 0.0000 173.1249 44 Q 4.5126 7.9774 121.1172 54.2381 30.7299 173.7247 45 Q 5.0692 8.2772 123.8964 54.4871 30.4551 174.8222 46 F 4.7020 9.3894 123.2860 55.6739 42.0614 174.1166 47 Q 4.7549 9.1122 122.9506 55.2466 30.8379 176.7671 48 G 4.2327 9.6528 109.6028 45.6419 0.0000 173.7816 49 K 3.7454 8.7968 120.7623 59.5768 31.9814 178.6105 50 A 3.9500 8.1101 119.8380 55.4201 18.3554 179.3154 51 A 3.9668 7.9562 118.4458 55.2296 18.5341 179.7670 52 I 3.3926 7.5544 117.8755 64.5000 37.2064 178.8841 53 V 3.4715 7.9524 119.3940 65.8269 31.2251 177.4813 54 E 3.7803 8.2093 119.2148 59.2659 29.2107 178.8229 55 K 3.4912 7.3159 118.0559 59.2396 32.5125 178.5294 56 L 3.6219 7.6169 119.4679 57.1220 41.2792 179.2497 57 S 4.0840 7.7292 113.4733 60.3171 63.2520 175.8509 58 S 4.2052 7.2517 116.4952 58.3323 63.5691 174.6016 59 L 3.7924 6.3513 122.2554 54.5904 41.9295 176.4276 60 P 4.4948 0.0000 0.0000 60.3455 29.9054 174.6737 61 F 5.2149 6.8925 117.4247 58.0943 40.7077 174.5587 62 Q 4.5487 9.4622 119.4433 56.4689 30.7214 176.4356 63 K 4.9031 9.1409 116.3763 54.6241 35.8301 175.5637 64 I 4.8627 8.1347 122.2133 59.5902 41.8952 173.1377 65 Q 4.9604 8.8003 128.9406 54.7454 32.3169 173.4642 66 H 5.5904 9.8826 123.0622 54.0216 32.2047 173.5552 67 S 4.6805 9.2307 115.1419 56.7023 66.5203 172.9360 68 I 4.2835 8.2520 123.6939 60.7627 37.2060 175.7432 69 T 4.1768 8.7861 125.2781 66.2104 69.7780 174.9740 70 A 4.6977 7.4484 120.2106 50.8059 22.8210 175.4724 71 Q 4.9308 8.5355 118.4040 54.7668 32.1019 173.2873 72 D 4.9790 9.4285 124.4420 52.5819 43.4987 175.0474 73 H 5.4709 8.6893 119.5486 54.2211 32.2387 173.1029 74 Q 4.7556 8.8586 119.9387 53.6375 33.3782 172.7752 75 P 5.0004 0.0000 0.0000 63.0305 32.8332 175.2690 76 T 4.6160 8.7309 111.6893 59.3858 71.4757 173.6851 77 P 4.3255 0.0000 0.0000 65.4860 31.4931 177.1285 78 D 4.6955 8.0637 116.3026 54.5253 40.6175 176.5706 79 S 3.9758 8.0812 112.9370 59.6975 60.7313 170.4597 80 C 5.0180 8.2404 119.1141 58.7612 30.8245 172.4500 81 I 5.0491 8.6890 119.9896 59.7324 40.4314 174.9306 82 I 4.9051 8.6843 127.0673 59.6900 39.7374 174.6369 83 S 5.2567 9.3809 123.7245 56.9600 65.7538 172.6738 84 M 5.0959 9.4469 125.4594 53.6529 34.7998 174.3628 85 V 5.0395 9.1215 126.4221 60.9985 34.7792 174.3948 86 V 4.4318 8.6596 126.8677 60.0742 34.0292 174.6596 87 G 3.7662 7.5183 110.7508 45.7300 0.0000 171.5272 88 Q 5.3732 8.6774 119.3709 54.6521 33.8629 174.0232 89 L 5.2012 9.3034 121.6183 54.1522 44.9473 175.2174 90 K 4.7054 8.7133 120.4099 54.8615 35.3655 174.5425 91 A 4.6563 8.5915 129.7755 51.5313 21.0797 177.1117 92 D 4.2830 9.1935 122.5845 55.7060 41.5148 175.3004 93 E 4.7592 9.0924 122.9133 56.9783 30.2895 175.4699 94 D 4.7253 8.2159 119.0615 52.6822 41.8136 174.7687 95 P 4.3489 0.0000 0.0000 62.6742 31.8451 176.5203 96 I 3.9989 8.2873 122.0258 62.6541 37.7221 175.0640 97 M 4.8534 9.1911 124.8745 53.3122 36.0829 175.6691 98 G 4.2074 8.5735 109.2093 46.4325 0.0000 172.0588 99 F 5.2043 8.3067 113.7856 55.8196 41.7439 172.7261 100 H 5.2613 9.1588 117.7230 54.1494 32.0518 172.8322 101 Q 4.9693 8.9999 122.9957 54.8943 33.0304 172.8581 102 M 5.1701 8.8861 125.5745 53.7489 35.7789 174.0059 103 F 5.3950 9.2801 123.4891 55.5775 43.7442 173.4120 104 L 5.1627 9.1289 124.7048 53.4220 44.4951 174.9326 105 L 5.2272 9.3254 126.7038 53.0400 44.5525 175.5270 106 K 4.8531 9.0640 123.2210 54.6411 35.9994 174.7798 107 N 4.3402 7.9076 125.8842 52.5826 39.1127 174.0307 108 I 4.2971 8.0354 127.7268 60.3438 39.8828 176.0284 109 N 4.4049 9.4412 123.4685 54.6411 35.8175 173.7361 110 D 4.4411 8.5167 110.7643 54.9179 38.6891 173.8854 111 A 4.7174 7.4931 118.4375 50.2032 23.1801 176.5241 112 W 4.8206 8.9586 121.4435 56.3935 29.6280 176.2661 113 V 4.5937 8.8399 118.7862 59.4988 34.8772 174.6275 114 C 4.7525 9.2821 125.0510 58.9924 31.5476 173.3138 115 T 4.4427 9.0438 117.6883 63.4452 70.5122 174.5821 116 N 5.5256 8.1842 119.1690 51.2713 42.5129 173.0948 117 D 5.3020 9.5831 123.7306 52.6964 44.8638 173.9756 118 M 5.3260 8.7692 124.8876 53.5074 35.4766 174.3646 119 F 5.1768 9.5001 125.4827 56.4936 43.2157 174.0293 120 R 4.6127 7.5801 122.6621 54.3132 34.4089 174.9338 121 L 4.3624 9.4430 124.7133 54.2780 42.5579 176.7049 122 A 4.1376 8.7612 124.2320 51.6452 18.9611 177.8934 123 L 3.5790 8.3859 117.9806 58.7552 40.5857 176.1183 124 H 4.2181 8.2337 121.5130 55.5232 26.9893 174.9297 125 N 4.6559 8.5285 121.3605 54.3087 39.1629 175.3724 126 F 4.1335 8.1050 115.9199 58.5528 42.2784 173.5421 127 G 3.8453 8.1730 115.7407 45.6990 0.0000 173.0312 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 4 K 8.31 4.27 0.00 1.75 1.80 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.47 7.81 5 P 0.00 4.24 0.00 2.22 1.98 0.00 3.59 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 2.22 2.20 0.00 6 I 8.61 3.61 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.92 0.00 0.00 7 A 7.87 3.82 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 8 E 8.03 3.79 0.00 2.13 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 2.46 2.41 0.00 9 Q 8.20 3.91 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.72 0.00 10 I 7.81 3.53 1.25 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.54 -0.49 0.00 0.00 11 G 7.87 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 0.00 0.00 0.00 12 S 8.09 4.41 0.00 3.80 3.93 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 13 S 8.04 4.12 0.00 3.96 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 14 F 8.49 4.01 0.00 3.03 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 15 I 7.77 3.68 2.19 0.00 0.00 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 1.65 0.75 1.14 0.00 0.00 16 Q 8.24 4.00 0.00 2.19 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 17 H 8.47 3.99 0.00 3.19 3.31 0.00 5.86 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 18 Y 7.68 3.54 0.00 1.87 2.27 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 19 Y 7.92 4.13 0.00 3.14 2.99 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 20 Q 8.10 3.98 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 21 L 7.83 3.87 0.00 1.56 1.49 0.67 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 22 F 7.89 3.85 0.00 2.68 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 23 D 8.12 4.86 0.00 2.90 2.79 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 24 N 8.28 4.86 0.00 2.78 2.70 0.00 0.00 6.76 8.16 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 25 D 7.82 4.71 0.00 2.75 2.48 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 26 R 8.16 4.27 0.00 1.47 2.01 0.00 2.21 0.00 0.00 2.69 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.27 0.00 27 T 7.72 4.35 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 1.12 0.00 0.00 28 Q 7.47 4.56 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.84 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 29 L 7.77 4.06 0.00 1.80 1.83 0.44 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.46 3.88 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 0.00 0.00 0.00 31 A 7.60 4.12 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 32 I 7.81 4.16 2.11 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.32 0.98 0.00 0.00 33 Y 7.70 5.24 0.00 3.21 2.93 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 34 I 8.14 4.50 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.86 0.95 0.00 0.00 35 D 8.60 4.43 0.00 2.83 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 36 A 7.87 4.69 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 37 S 7.89 4.76 0.00 3.93 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 38 C 9.17 5.22 0.00 3.00 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 39 L 9.23 5.40 0.00 1.78 1.57 1.38 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.22 5.21 4.34 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 0.00 0.00 0.00 1.29 0.00 0.00 41 W 9.51 4.95 0.00 3.69 3.30 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 42 E 9.62 4.05 0.00 2.41 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 43 G 8.39 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 44 Q 7.98 4.51 0.00 2.17 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.74 0.00 0.00 0.00 0.00 0.00 1.70 2.04 0.00 45 Q 8.28 5.07 0.00 1.86 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.47 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 46 F 9.39 4.70 0.00 2.91 2.92 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 47 Q 9.11 4.75 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.56 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 48 G 9.65 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 0.00 0.00 0.00 0.00 49 K 8.80 3.75 0.00 2.02 1.87 0.00 2.20 0.00 0.00 1.89 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.64 7.81 50 A 8.11 3.95 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 51 A 7.96 3.97 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 52 I 7.55 3.39 1.76 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.92 0.15 0.00 0.00 53 V 7.95 3.47 2.03 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 0.93 0.00 0.00 0.99 0.00 0.00 54 E 8.21 3.78 0.00 1.98 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 2.21 2.42 0.00 55 K 7.32 3.49 0.00 0.79 1.20 0.00 1.12 0.00 0.00 0.99 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.51 7.81 56 L 7.62 3.62 0.00 1.43 1.20 1.02 0.35 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 57 S 7.73 4.08 0.00 3.86 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 58 S 7.25 4.21 0.00 3.85 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 59 L 6.35 3.79 0.00 1.04 1.42 0.67 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.49 0.00 2.21 2.06 0.00 3.82 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 61 F 6.89 5.21 0.00 3.16 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 62 Q 9.46 4.55 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.68 0.00 63 K 9.14 4.90 0.00 1.61 1.68 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.52 7.81 64 I 8.13 4.86 0.85 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.10 1.18 0.00 0.00 65 Q 8.80 4.96 0.00 2.14 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.48 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 66 H 9.88 5.59 0.00 2.83 3.05 0.00 5.85 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 9.23 4.68 0.00 3.76 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 68 I 8.25 4.28 1.84 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.34 0.93 0.00 0.00 69 T 8.79 4.18 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 1.13 0.00 0.00 70 A 7.45 4.70 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.54 4.93 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 72 D 9.43 4.98 0.00 2.50 2.55 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 0.00 0.00 0.00 0.00 73 H 8.69 5.47 0.00 2.97 3.18 0.00 5.86 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 8.86 4.76 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.96 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 75 P 0.00 5.00 0.00 2.10 2.07 0.00 3.74 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 1.97 0.00 76 T 8.73 4.62 4.27 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 1.29 0.00 0.00 77 P 0.00 4.33 0.00 2.08 2.16 0.00 3.69 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 2.04 2.12 0.00 78 D 8.06 4.70 0.00 2.69 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 79 S 8.08 3.98 0.00 4.08 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 80 C 8.24 5.02 0.00 2.93 3.02 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 81 I 8.69 5.05 1.70 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.83 0.83 0.00 0.00 82 I 8.68 4.91 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.99 0.94 0.00 0.00 83 S 9.38 5.26 0.00 4.09 4.04 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 M 9.45 5.10 0.00 2.00 1.88 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.42 0.00 85 V 9.12 5.04 2.36 0.00 0.00 0.00 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 1.29 0.00 0.00 86 V 8.66 4.43 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 0.56 0.00 0.00 0.66 0.00 0.00 87 G 7.52 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 88 Q 8.68 5.37 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.64 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 89 L 9.30 5.20 0.00 1.45 1.45 0.90 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.71 4.71 0.00 1.80 1.62 0.00 1.61 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.41 1.53 7.81 91 A 8.59 4.66 1.13 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 92 D 9.19 4.28 0.00 2.78 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 0.00 0.00 0.00 93 E 9.09 4.76 0.00 1.93 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 2.21 2.24 0.00 94 D 8.22 4.73 0.00 2.68 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 95 P 0.00 4.35 0.00 2.09 2.03 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 96 I 8.29 4.00 1.88 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 1.34 0.46 0.94 0.00 0.00 97 M 9.19 4.85 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.54 0.00 98 G 8.57 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 0.00 0.00 0.00 0.00 99 F 8.31 5.20 0.00 2.76 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 0.00 100 H 9.16 5.26 0.00 2.92 3.11 0.00 5.79 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 9.00 4.97 0.00 2.47 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 1.44 2.39 0.00 102 M 8.89 5.17 0.00 1.96 1.77 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.77 0.00 103 F 9.28 5.39 0.00 2.94 2.79 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 0.00 104 L 9.13 5.16 0.00 1.78 1.56 1.02 0.89 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 0.00 105 L 9.33 5.23 0.00 1.72 1.67 0.59 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 106 K 9.06 4.85 0.00 1.78 1.57 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.21 1.28 7.81 107 N 7.91 4.34 0.00 1.44 1.91 0.00 0.00 6.87 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 0.00 108 I 8.04 4.30 1.81 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 1.24 1.02 0.87 0.00 0.00 109 N 9.44 4.40 0.00 2.81 2.85 0.00 0.00 7.19 8.06 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 0.00 110 D 8.52 4.44 0.00 2.80 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 0.00 111 A 7.49 4.72 1.19 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 0.00 112 W 8.96 4.82 0.00 3.19 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 0.00 113 V 8.84 4.59 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 0.75 0.00 0.00 0.96 0.00 0.00 114 C 9.28 4.75 0.00 2.78 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 0.00 115 T 9.04 4.44 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 1.25 0.00 0.00 116 N 8.18 5.53 0.00 2.68 2.78 0.00 0.00 6.52 8.08 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 0.00 117 D 9.58 5.30 0.00 3.04 2.72 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 0.00 118 M 8.77 5.33 0.00 1.98 1.88 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 119 F 9.50 5.18 0.00 2.80 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 0.00 120 R 7.58 4.61 0.00 1.47 1.52 0.00 3.26 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.63 0.00 121 L 9.44 4.36 0.00 1.53 1.59 1.13 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.76 4.14 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 0.00 123 L 8.39 3.58 0.00 1.77 1.79 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 124 H 8.23 4.22 0.00 3.28 3.68 0.00 5.89 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 N 8.53 4.66 0.00 2.77 2.94 0.00 0.00 6.95 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 F 8.11 4.13 0.00 2.96 2.96 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 0.00 127 G 8.17 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 0.00 0.00 0.00