NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3360 8.3049 120.3131 54.2000 32.9692 175.1248 2 P 3.8028 0.0000 0.0000 61.4162 32.0440 170.6621 3 V 4.2243 8.1983 123.4173 62.0801 33.6599 174.1168 4 E 5.1361 8.6347 124.8535 54.5819 32.9792 174.7601 5 L 4.4408 9.0044 124.9989 53.8803 42.5422 176.3052 6 R 4.3202 8.4531 125.2066 54.7791 31.5521 176.9735 7 A 3.9730 8.3531 122.6714 54.5884 18.5331 177.6816 8 N 4.5797 7.8486 114.9985 51.2964 37.7679 173.2527 9 W 4.8834 7.4899 119.0320 53.9560 31.4492 175.7878 10 S 4.7149 8.3875 114.0645 56.8383 63.9068 174.7593 11 E 4.4376 8.9235 124.3969 59.8983 29.2394 179.4135 12 E 4.0424 8.3564 118.0319 59.5082 29.4893 178.8925 13 D 4.3288 8.1127 117.9094 57.3101 41.2856 178.0967 14 L 3.7688 7.9266 120.4045 58.0237 42.1085 178.4403 15 E 3.9484 8.8603 118.9747 59.7297 29.1183 179.5739 16 T 3.9050 7.4829 114.5160 66.4311 68.8804 176.6448 17 V 3.7590 7.6242 120.3657 66.1308 31.5372 178.1679 18 I 3.9336 8.0445 113.1154 64.1754 37.1559 178.1400 19 R 4.0767 7.8487 117.7987 58.2741 29.9884 178.2920 20 A 4.2452 7.7579 120.3258 54.6234 18.5709 179.3366 21 V 3.8661 7.8347 115.4295 65.0214 32.4047 176.4345 22 Y 3.9519 7.8234 115.2416 58.1357 38.1874 177.0842 23 R 4.1733 8.6050 123.2360 55.0960 28.6767 175.2708 24 Q 4.0639 8.3599 122.4522 55.8857 28.3743 176.3609 25 V 4.1158 8.1060 120.3597 60.1703 33.1169 176.9956 26 L 3.8455 8.4373 119.8023 57.7826 40.4553 177.1862 27 G 4.0871 7.4799 109.5893 44.6875 0.0000 172.9802 28 N 4.3291 8.7687 125.1175 55.8187 39.3389 174.9843 29 D 4.7740 7.2469 120.3866 52.2187 41.1198 174.4382 30 Y 4.7415 7.8020 117.7237 56.3135 40.2622 176.5021 31 V 3.1495 8.9019 116.2705 63.3966 29.9170 173.1578 32 M 3.1599 7.6414 120.1733 55.8204 31.6565 177.2700 33 A 4.5002 8.2595 118.9712 52.4707 17.9400 176.6474 34 S 3.6318 8.1887 112.8301 58.4696 62.3935 173.4277 35 E 4.3317 7.6881 120.4511 55.6572 28.3184 175.8918 36 R 4.5827 8.3194 124.7410 54.8207 32.9871 176.3421 37 L 4.7118 9.2340 128.6271 52.9180 40.9716 178.1465 38 V 3.8665 7.7112 121.8425 65.0993 31.4938 178.8357 39 S 4.2560 8.3294 116.2059 60.7357 62.8360 176.2078 40 A 4.1415 8.0668 122.9964 55.1508 18.1272 179.2570 41 E 4.0756 8.9770 117.7678 59.7911 29.6955 179.8806 42 S 4.1737 8.0313 113.6986 61.4956 63.0434 176.4739 43 L 4.1603 8.3231 122.9483 57.3586 41.2798 179.2391 44 L 3.9456 8.3321 120.7936 58.0089 41.8180 178.8448 45 R 3.7328 8.1596 117.5697 58.3469 30.1195 177.0922 46 N 4.8893 7.9168 113.9323 52.1987 39.4099 174.6399 47 G 4.0496 8.1828 108.6084 46.9821 0.0000 174.9854 48 K 4.4752 8.6201 120.0083 56.5747 33.9366 177.4575 49 I 4.5801 7.5562 110.4000 59.3017 39.8537 175.7777 50 T 3.1014 8.9209 113.2659 60.5459 71.0625 176.0801 51 V 3.6345 7.4068 120.6306 66.0890 31.3348 178.1953 52 R 3.8821 7.6896 117.3692 59.5609 30.0644 178.7439 53 E 4.0019 7.7857 117.6910 59.1835 29.4201 179.2091 54 F 4.1934 8.3074 120.9799 61.0937 39.3561 177.2483 55 V 3.4681 8.2767 118.4775 65.8506 31.3423 177.8127 56 R 3.7750 7.7322 117.8274 59.4891 29.7038 178.2274 57 A 3.8939 7.3498 118.3600 55.2630 18.5762 179.5073 58 V 3.2566 7.3711 116.3935 65.7562 31.2790 178.1587 59 A 4.1036 8.0017 120.2124 53.8639 18.1860 178.2134 60 K 4.6780 7.4073 113.7808 56.6203 32.3998 177.5017 61 S 3.9669 7.1603 113.7709 61.2423 63.0103 175.1289 62 E 4.3073 7.6035 122.6482 53.0540 31.1119 175.2719 63 L 3.6825 8.0580 120.7470 55.0728 41.3059 178.2880 64 Y 3.9931 7.6631 122.4175 58.7508 38.5356 176.9699 65 K 3.9178 6.4438 123.7108 55.1729 29.7144 174.6019 66 E 4.2380 6.6724 120.8356 56.0240 31.7554 176.0378 67 K 3.9759 7.2909 113.8970 57.8303 35.2847 177.0734 68 F 4.3005 7.9072 114.8758 54.9716 35.2445 172.9404 69 L 4.1032 6.7052 135.0000 55.7937 46.6149 174.3311 70 Y 4.3997 7.6584 118.7419 57.9848 39.1466 176.2581 71 G 3.7697 6.4861 108.1700 44.5816 0.0000 172.4794 72 N 4.4164 7.2567 117.5846 51.6439 41.7129 173.0971 73 F 4.8942 8.3300 115.9645 55.5891 42.4344 176.4819 74 Q 3.9981 8.7836 121.9722 59.3488 28.6274 179.3870 75 T 3.8570 7.9774 110.2208 64.9829 68.6331 176.3180 76 R 3.9056 7.9510 121.2200 58.8627 30.1541 178.3530 77 V 3.7048 8.3494 118.5695 66.1837 31.5715 178.0409 78 I 3.7808 8.0304 119.6115 64.4726 36.8663 178.0574 79 E 4.0198 8.2092 120.0628 59.0263 29.4018 178.8055 80 L 3.9237 8.1659 119.4080 57.9566 41.7626 179.2701 81 N 4.0606 8.3298 116.4764 56.2212 38.3647 176.7600 82 Y 3.7227 8.3787 121.2144 60.7885 38.9815 178.4150 83 K 4.3134 8.4161 120.1549 58.0843 31.9829 178.3044 84 H 4.3528 7.8226 117.5098 57.3325 30.2777 176.0266 85 L 4.3883 8.0484 119.4055 55.0470 41.3526 177.6280 86 L 4.3560 7.7650 117.0127 53.1759 42.9256 177.9797 87 G 4.0675 8.1048 106.0456 46.0215 0.0000 172.7442 88 R 4.6509 7.1524 118.0104 54.3684 33.3785 173.9999 89 A 4.4328 8.0813 124.6360 49.9018 20.4096 175.6609 90 P 3.5966 0.0000 0.0000 63.0030 31.9250 176.1392 91 Y 4.3721 8.4376 116.9342 59.3419 38.9096 175.2654 92 D 4.8200 9.2569 117.9072 51.2088 44.9643 175.3186 93 E 4.0401 8.7411 121.4055 59.2363 29.2949 178.7419 94 S 4.1826 8.4924 115.5105 61.6881 62.8817 176.4435 95 E 4.0815 7.8810 119.7612 59.4014 29.1416 179.6367 96 V 3.5935 7.6789 117.6908 66.1277 31.6438 177.9428 97 I 3.7630 8.1862 119.9921 64.2959 36.9245 178.1476 98 F 4.1526 8.7558 121.9232 61.8322 39.2409 176.9997 99 H 4.0830 8.5811 115.7131 58.4239 28.4466 177.8407 100 L 4.0808 8.3228 121.5740 57.8734 41.4195 178.9710 101 D 4.2924 8.3042 118.1748 57.1997 41.1413 178.0297 102 L 3.7184 7.7454 120.8905 58.2339 42.1081 178.3384 103 Y 4.3545 8.5064 119.8842 60.6328 38.4407 177.8020 104 E 3.9270 7.9314 118.8968 58.7861 29.7146 178.6754 105 N 4.4328 8.0522 116.0584 55.9485 38.8386 175.8194 106 E 4.3674 8.4749 117.2711 57.7155 32.5137 174.6658 107 G 3.9914 7.7870 102.7771 45.1387 0.0000 173.5153 108 F 4.2654 9.1654 119.7687 61.0466 39.2347 177.8483 109 D 4.1235 8.0854 117.2529 57.3608 40.8876 178.0681 110 A 3.9607 7.8147 119.3543 54.7060 18.7666 178.4474 111 D 4.3174 7.7068 116.4131 57.6426 41.2519 178.6485 112 I 3.8069 7.3667 119.9454 64.7338 37.2557 178.2283 113 D 4.4323 7.8145 119.2212 57.2971 40.1490 179.1458 114 S 4.0576 7.6785 115.5115 61.4669 62.5409 175.6008 115 Y 3.8014 7.7167 117.3258 59.3428 37.7209 177.3151 116 I 4.0890 7.1306 120.3037 63.7547 38.0039 177.0979 117 D 4.6680 7.8393 115.7129 54.3414 41.5707 175.1356 118 S 4.0389 7.3221 114.3252 58.7377 62.6593 172.8970 119 P 4.2410 0.0000 0.0000 66.1739 31.2445 178.2877 120 E 4.0230 8.2024 117.9358 58.8405 29.5649 178.4607 121 Y 3.9788 8.2092 117.2857 60.9627 38.1083 178.1176 122 T 4.0873 8.0575 116.6761 66.8954 68.4153 176.5454 123 N 4.3837 7.9262 116.8263 56.2491 38.6687 177.2859 124 S 4.2685 7.9472 113.2525 61.1736 62.7290 174.9547 125 F 4.4071 8.5668 122.6192 58.2838 39.5433 175.6746 126 G 4.5670 6.9942 118.2090 45.4670 0.0000 171.2889 127 D 4.5180 8.6531 124.7868 55.2353 40.6119 177.5831 128 W 4.7234 8.6367 119.2189 55.7592 30.3229 175.2679 129 V 4.7324 7.7115 119.7423 61.2808 32.7776 175.2504 130 V 4.1526 9.0003 128.6700 61.1376 32.2626 173.2809 131 P 4.6087 0.0000 0.0000 63.7927 31.0381 175.0510 132 Y 4.7277 8.3116 120.8566 54.6513 40.3457 174.0815 133 Y 4.2264 8.7233 121.1880 58.4446 38.7525 175.3173 134 R 4.2345 8.6300 129.4803 54.3936 29.6207 174.5609 135 G 3.2697 7.6305 111.5387 45.3857 0.0000 170.5116 136 L 4.3529 8.3730 129.2991 53.3536 41.7088 175.7760 137 E 4.0764 8.5919 125.8460 55.4362 29.9780 176.5291 138 H 4.1784 8.5611 120.2875 56.0149 28.8701 174.1834 139 H 5.0364 8.2527 117.5813 54.0270 31.7521 173.3634 140 H 4.6957 8.2387 116.8927 55.0853 28.4419 176.8333 141 H 4.0690 8.9814 128.4299 57.6943 29.8076 175.3052 142 H 4.7136 9.2196 109.5540 57.1821 31.8385 172.1230 143 H 4.5070 8.4682 121.2410 55.5166 28.9040 173.9201 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 4.34 0.00 1.97 2.07 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 2.48 2.49 0.00 2 P 0.00 3.80 0.00 1.88 1.30 0.00 3.47 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.21 0.00 3 V 8.20 4.22 2.14 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 1.11 0.00 0.00 0.96 0.00 0.00 4 E 8.63 5.14 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.29 0.00 5 L 9.00 4.44 0.00 1.63 1.85 0.33 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.45 4.32 0.00 1.88 1.82 0.00 3.28 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 7 A 8.35 3.97 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 8 N 7.85 4.58 0.00 2.60 2.71 0.00 0.00 6.73 7.90 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 9 W 7.49 4.88 0.00 3.47 3.06 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 10 S 8.39 4.71 0.00 3.89 3.82 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 11 E 8.92 4.44 0.00 2.16 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 2.79 2.53 0.00 12 E 8.36 4.04 0.00 2.02 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 0.00 2.44 2.35 0.00 13 D 8.11 4.33 0.00 2.90 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 14 L 7.93 3.77 0.00 1.14 1.62 0.39 0.22 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 15 E 8.86 3.95 0.00 2.13 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 2.63 2.53 0.00 16 T 7.48 3.91 4.44 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 1.23 0.00 0.00 17 V 7.62 3.76 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 0.96 0.00 0.00 0.98 0.00 0.00 18 I 8.04 3.93 2.07 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 1.72 0.67 0.72 0.00 0.00 19 R 7.85 4.08 0.00 1.96 2.08 0.00 3.30 0.00 0.00 3.24 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 20 A 7.76 4.25 1.47 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 21 V 7.83 3.87 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 1.01 0.00 0.00 1.23 0.00 0.00 22 Y 7.82 3.95 0.00 3.34 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 23 R 8.61 4.17 0.00 2.16 1.97 0.00 3.23 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.55 0.00 24 Q 8.36 4.06 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 7.20 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 25 V 8.11 4.12 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 1.00 0.00 0.00 1.04 0.00 0.00 26 L 8.44 3.85 0.00 1.77 1.83 0.94 0.35 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 27 G 7.48 4.09 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 0.00 0.00 0.00 28 N 8.77 4.33 0.00 2.67 2.74 0.00 0.00 6.85 8.43 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 29 D 7.25 4.77 0.00 2.48 2.29 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 30 Y 7.80 4.74 0.00 2.97 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 31 V 8.90 3.15 2.09 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 0.73 0.00 0.00 0.91 0.00 0.00 32 M 7.64 3.16 0.00 2.32 2.23 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.38 0.00 33 A 8.26 4.50 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 34 S 8.19 3.63 0.00 4.12 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 35 E 7.69 4.33 0.00 2.12 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 2.54 2.33 0.00 36 R 8.32 4.58 0.00 1.84 1.88 0.00 3.27 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 37 L 9.23 4.71 0.00 1.82 1.66 0.49 0.67 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 38 V 7.71 3.87 2.14 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 0.87 0.00 0.00 0.98 0.00 0.00 39 S 8.33 4.26 0.00 3.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 4.14 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.98 4.08 0.00 2.25 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 2.66 2.85 0.00 42 S 8.03 4.17 0.00 4.12 4.17 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 0.00 0.00 0.00 43 L 8.32 4.16 0.00 1.82 1.83 0.98 0.82 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 44 L 8.33 3.95 0.00 1.64 1.56 0.91 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.16 3.73 0.00 1.96 1.98 0.00 3.31 0.00 0.00 3.27 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.65 0.00 46 N 7.92 4.89 0.00 2.96 2.92 0.00 0.00 7.33 7.02 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 47 G 8.18 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 0.00 0.00 0.00 48 K 8.62 4.48 0.00 1.90 1.93 0.00 1.74 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.43 7.81 49 I 7.56 4.58 1.91 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.67 0.97 0.00 0.00 50 T 8.92 3.10 3.34 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 0.65 0.00 0.00 51 V 7.41 3.63 2.18 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 1.20 0.00 0.00 1.12 0.00 0.00 52 R 7.69 3.88 0.00 1.73 1.91 0.00 3.31 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.50 0.00 53 E 7.79 4.00 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 2.29 2.23 0.00 54 F 8.31 4.19 0.00 3.08 3.22 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 0.00 55 V 8.28 3.47 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 0.91 0.00 0.00 1.08 0.00 0.00 56 R 7.73 3.77 0.00 1.85 2.05 0.00 3.27 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 57 A 7.35 3.89 1.18 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 0.00 0.00 58 V 7.37 3.26 1.67 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 0.79 0.00 0.00 -0.18 0.00 0.00 59 A 8.00 4.10 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 60 K 7.41 4.68 0.00 2.02 1.91 0.00 1.63 0.00 0.00 1.91 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.64 1.36 7.81 61 S 7.16 3.97 0.00 3.94 3.99 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 62 E 7.60 4.31 0.00 1.95 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 2.25 2.36 0.00 63 L 8.06 3.68 0.00 1.71 1.42 0.85 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 7.66 3.99 0.00 2.66 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 65 K 6.44 3.92 0.00 1.44 1.59 0.00 1.74 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.65 1.46 7.81 66 E 6.67 4.24 0.00 1.82 1.56 0.00 0.00 0.00 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 2.29 0.00 67 K 7.29 3.98 0.00 1.84 1.65 0.00 1.74 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.34 7.81 68 F 7.91 4.30 0.00 3.12 2.98 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 69 L 6.71 4.10 0.00 1.19 1.41 0.80 0.98 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 70 Y 7.66 4.40 0.00 3.04 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 71 G 6.49 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 72 N 7.26 4.42 0.00 2.57 2.70 0.00 0.00 7.06 7.09 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 73 F 8.33 4.89 0.00 3.07 2.89 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 74 Q 8.78 4.00 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.32 0.00 75 T 7.98 3.86 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 1.22 0.00 0.00 76 R 7.95 3.91 0.00 2.08 2.47 0.00 3.24 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.79 0.00 77 V 8.35 3.70 2.32 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 1.55 0.00 0.00 1.13 0.00 0.00 78 I 8.03 3.78 2.04 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 1.48 0.63 0.95 0.00 0.00 79 E 8.21 4.02 0.00 2.12 2.09 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 2.28 2.28 0.00 80 L 8.17 3.92 0.00 1.88 1.53 0.82 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 81 N 8.33 4.06 0.00 2.71 2.11 0.00 0.00 6.87 8.26 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 82 Y 8.38 3.72 0.00 3.24 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 83 K 8.42 4.31 0.00 1.83 1.87 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.54 7.81 84 H 7.82 4.35 0.00 3.22 3.14 0.00 5.73 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.05 4.39 0.00 1.00 1.44 0.33 0.81 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 86 L 7.76 4.36 0.00 1.39 1.32 -0.38 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 87 G 8.10 4.07 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 0.00 0.00 0.00 88 R 7.15 4.65 0.00 1.70 1.65 0.00 3.19 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.46 0.00 89 A 8.08 4.43 1.17 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 0.00 0.00 0.00 0.00 0.00 90 P 0.00 3.60 0.00 1.76 1.53 0.00 3.42 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.21 0.00 91 Y 8.44 4.37 0.00 2.99 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 92 D 9.26 4.82 0.00 2.69 2.64 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 93 E 8.74 4.04 0.00 2.07 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 2.39 2.40 0.00 94 S 8.49 4.18 0.00 3.94 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 95 E 7.88 4.08 0.00 1.96 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 2.48 2.47 0.00 96 V 7.68 3.59 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 1.10 0.00 0.00 0.84 0.00 0.00 97 I 8.19 3.76 2.07 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 1.63 0.77 0.96 0.00 0.00 98 F 8.76 4.15 0.00 3.17 3.31 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 99 H 8.58 4.08 0.00 3.42 3.48 0.00 5.68 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 0.00 100 L 8.32 4.08 0.00 1.91 1.78 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 101 D 8.30 4.29 0.00 2.84 2.64 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 0.00 102 L 7.75 3.72 0.00 1.34 1.58 0.77 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 8.51 4.35 0.00 3.15 3.21 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 0.00 104 E 7.93 3.93 0.00 2.16 1.96 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 2.64 2.53 0.00 105 N 8.05 4.43 0.00 2.72 2.80 0.00 0.00 6.77 7.64 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 0.00 106 E 8.47 4.37 0.00 1.79 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 2.17 2.13 0.00 107 G 7.79 3.99 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 0.00 0.00 0.00 108 F 9.17 4.27 0.00 3.36 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 0.00 109 D 8.09 4.12 0.00 2.85 2.64 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 0.00 110 A 7.81 3.96 1.26 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 0.00 111 D 7.71 4.32 0.00 2.87 2.50 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 0.00 0.00 0.00 0.00 112 I 7.37 3.81 1.91 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.37 0.85 0.00 0.00 113 D 7.81 4.43 0.00 2.79 2.68 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 0.00 114 S 7.68 4.06 0.00 3.49 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 0.00 115 Y 7.72 3.80 0.00 2.92 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 0.00 116 I 7.13 4.09 1.96 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 1.40 0.72 0.92 0.00 0.00 117 D 7.84 4.67 0.00 2.62 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.32 4.04 0.00 3.92 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 4.24 0.00 2.32 2.30 0.00 3.78 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 120 E 8.20 4.02 0.00 2.11 2.25 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 2.40 2.28 0.00 121 Y 8.21 3.98 0.00 3.03 3.06 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 0.00 122 T 8.06 4.09 4.42 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 1.21 0.00 0.00 123 N 7.93 4.38 0.00 2.74 2.90 0.00 0.00 7.40 7.67 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 0.00 124 S 7.95 4.27 0.00 3.88 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 0.00 125 F 8.57 4.41 0.00 2.94 3.36 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 0.00 0.00 0.00 0.00 126 G 6.99 4.57 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 0.00 0.00 0.00 127 D 8.65 4.52 0.00 2.65 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 0.00 128 W 8.64 4.72 0.00 3.28 3.35 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 0.00 129 V 7.71 4.73 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 0.75 0.00 0.00 0.95 0.00 0.00 130 V 9.00 4.15 2.25 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 0.91 0.00 0.00 1.04 0.00 0.00 131 P 0.00 4.61 0.00 2.39 2.41 0.00 3.89 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 132 Y 8.31 4.73 0.00 3.22 3.16 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 0.00 133 Y 8.72 4.23 0.00 2.99 3.11 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 0.00 0.00 0.00 134 R 8.63 4.23 0.00 1.60 1.76 0.00 3.50 0.00 0.00 3.42 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 135 G 7.63 3.27 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 0.00 136 L 8.37 4.35 0.00 1.60 1.63 0.98 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 0.00 137 E 8.59 4.08 0.00 2.08 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 2.30 2.24 0.00 138 H 8.56 4.18 0.00 3.26 3.39 0.00 5.47 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 H 8.25 5.04 0.00 3.18 3.25 0.00 5.51 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 H 8.24 4.70 0.00 3.44 3.53 0.00 5.80 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 H 8.98 4.07 0.00 3.33 3.23 0.00 5.77 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 H 9.22 4.71 0.00 3.10 3.25 0.00 5.73 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 H 8.47 4.51 0.00 3.20 3.19 0.00 5.74 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