NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4626 8.1585 118.7951 54.0135 33.3436 176.1890 2 A 3.8318 8.5170 123.6383 54.0643 18.3749 175.0983 3 V 3.5498 8.5474 117.7534 66.1166 32.0738 176.3333 4 I 3.7563 7.8020 119.0647 64.6918 37.1120 177.6629 5 D 4.3628 7.7036 118.1595 57.4497 40.7932 177.9468 6 D 4.3827 8.1825 118.6659 57.3270 41.1510 178.2410 7 F 4.3111 8.4368 121.0657 61.4544 39.2457 177.0576 8 E 3.9872 8.3184 116.6217 58.9552 29.2409 179.1518 9 K 4.0617 7.7610 117.6917 57.7731 32.4791 177.4451 10 L 4.0939 7.0511 119.2591 54.2930 42.3896 176.3044 11 D 4.6494 9.2692 123.7755 52.8041 41.9670 173.7939 12 I 4.8810 7.8628 125.8115 59.6157 39.2515 174.9730 13 R 5.3624 9.1363 125.7013 54.4712 35.0217 174.5662 14 T 4.9053 8.7680 111.4188 61.7333 70.6648 173.9342 15 G 3.8869 8.7291 109.5282 45.5909 0.0000 171.4733 16 T 4.9709 8.0740 116.9395 61.1522 71.2131 174.1599 17 I 4.0498 8.3339 127.7818 62.1077 37.4290 176.8573 18 V 3.9953 8.6858 120.5754 61.2820 33.5682 176.2241 19 K 4.7464 7.8079 120.7160 54.7337 35.8783 174.6725 20 A 5.1819 8.3776 126.7653 50.6168 22.3783 175.0312 21 E 4.6263 9.0750 122.1700 54.0183 33.4965 174.4898 22 E 4.1920 9.0155 125.7355 56.7835 30.3495 177.1106 23 F 5.3323 8.9258 125.0311 56.2273 38.1401 173.7913 24 P 4.3492 0.0000 0.0000 65.1071 32.0073 178.5590 25 E 3.9862 8.1167 117.3748 58.3521 29.7483 177.1710 26 A 3.7072 6.6746 121.0492 51.3443 19.0475 177.0179 27 R 3.9047 8.5476 121.5068 58.8035 30.1251 176.9832 28 V 4.2743 7.3135 115.7115 59.9290 33.1425 173.1122 29 P 4.4588 0.0000 0.0000 63.5834 32.0063 175.0039 30 A 4.8896 8.6819 123.3114 50.7578 23.8470 174.4567 31 I 4.8940 8.7738 119.1057 59.4483 40.5622 175.8650 32 K 4.2446 8.8617 127.2467 56.1106 33.1211 176.0116 33 L 5.2192 9.5169 125.1996 52.8313 45.3129 175.5176 34 V 4.8409 8.6495 122.7084 61.2383 34.0368 174.2072 35 I 4.7105 9.1589 129.2411 59.3894 40.6501 174.2367 36 D 4.7709 9.0894 127.4661 53.2271 41.8349 175.8502 37 F 4.5566 8.8256 124.9489 57.3450 39.9691 177.0329 38 G 3.9013 8.7945 108.3307 44.7723 0.0000 174.8573 39 T 3.8743 8.3163 114.4027 66.6239 68.4809 176.1804 40 E 4.1148 8.0619 118.1083 59.4556 30.1408 178.2110 41 I 3.7219 7.7548 120.7657 61.6291 37.9711 177.6995 42 G 3.8776 8.3038 108.8630 44.6300 0.0000 171.5062 43 I 4.6261 8.2310 120.0978 61.2859 37.8145 176.0190 44 K 4.9553 9.4586 125.7255 54.8262 36.6766 175.3316 45 Q 5.1285 9.3611 122.5157 55.2051 30.7671 174.8337 46 S 5.0728 9.5890 116.8186 56.9274 66.6280 172.2336 47 S 5.2610 9.3228 120.7874 56.6345 63.8900 173.0743 48 A 4.7203 8.8468 128.2974 49.7380 22.0457 176.2468 49 Q 4.3658 8.3896 122.3550 55.0537 27.2378 176.0079 50 I 4.6958 7.2371 109.1617 60.6974 38.6920 178.7371 51 T 4.0324 8.1424 113.3001 64.9839 69.2328 175.5645 52 K 4.0543 8.3435 122.8800 59.1105 32.2128 177.4179 53 R 4.3275 7.9245 113.8331 55.9231 31.6540 175.5570 54 Y 4.9044 7.5936 114.4090 55.6512 41.2476 174.9525 55 K 4.7478 8.2850 120.6983 54.0273 35.7545 174.9828 56 P 4.2255 0.0000 0.0000 66.3408 31.0606 178.7631 57 E 4.0512 8.3325 114.9051 59.0374 29.4291 178.7509 58 G 3.8838 8.0255 103.4861 45.7047 0.0000 174.9169 59 L 4.3823 8.0842 121.3645 55.1998 42.1059 176.9565 60 I 3.8534 7.2819 119.0834 63.2329 37.2837 175.7752 61 N 4.4453 9.5523 122.1055 52.9775 37.0996 174.2787 62 K 4.1852 7.9847 121.5966 56.2636 33.4400 175.8160 63 Q 4.7176 8.6472 126.6752 55.7817 29.6671 175.5954 64 V 4.6864 8.7596 116.7432 59.5503 36.1928 174.3006 65 I 5.1551 8.1915 121.0671 59.7317 40.0856 174.9491 66 A 5.1034 9.2402 127.8384 50.1421 23.4203 175.2793 67 V 4.2830 8.4921 121.1326 62.8232 31.8908 176.9316 68 V 3.8923 8.8521 122.3560 61.4587 32.1190 176.8898 69 N 4.7924 7.8217 116.7701 52.0932 37.5308 174.4315 70 F 3.9732 8.1027 121.2714 57.8531 39.9102 173.3058 71 P 4.4337 0.0000 0.0000 61.4854 31.8623 174.2829 72 P 4.7008 0.0000 0.0000 63.2757 32.0632 175.6646 73 R 4.7787 9.0597 121.0423 54.5280 33.5976 174.7563 74 R 5.0948 8.6604 121.5359 54.5935 32.3352 175.6359 75 I 4.3305 9.0426 125.2172 60.2728 39.8453 175.7987 76 A 3.9729 9.9328 130.9794 53.2984 15.7492 177.0849 77 G 4.0571 8.4307 106.3436 45.3004 0.0000 172.4282 78 F 4.6534 8.3175 121.9188 55.8302 41.8172 173.5645 79 K 4.3526 7.7047 129.3922 55.3640 32.5635 175.9104 80 S 4.5429 9.1059 125.1525 57.5497 62.5588 174.1295 81 E 4.3184 9.1271 128.1947 57.6460 30.1388 177.1085 82 V 4.6064 7.6754 110.5645 59.3632 36.3372 175.2211 83 L 4.2482 8.3804 125.2775 53.4740 42.7911 175.6626 84 V 4.2611 8.2033 127.5561 62.7116 32.2379 175.3179 85 L 4.4185 9.2169 129.2000 54.3727 42.9993 176.2479 86 G 4.4130 8.3758 108.7734 44.6113 0.0000 172.2721 87 G 3.8809 9.2943 108.4000 46.1499 0.0000 173.2375 88 I 4.9242 8.4852 124.8652 57.9382 36.6893 173.6075 89 P 4.3716 0.0000 0.0000 64.1340 32.2945 176.7823 90 G 3.9127 7.5876 106.5213 44.4199 0.0000 172.0371 91 Q 3.9830 8.7293 120.4151 57.9939 28.7937 177.0666 92 G 3.9433 9.0653 113.2287 45.2688 0.0000 171.6915 93 D 5.0564 8.0084 119.9537 52.3146 43.7366 175.1383 94 V 4.7748 8.3759 124.0446 61.1822 35.1561 174.3042 95 V 4.6134 8.8286 127.5442 60.7963 33.7269 174.7330 96 L 4.4004 9.0814 129.2053 54.9221 41.9888 177.5143 97 L 4.5099 8.3952 123.3947 54.9984 42.4883 176.3068 98 Q 4.6122 8.2163 117.4882 54.1071 31.2675 172.5653 99 P 4.4659 0.0000 0.0000 62.7059 31.9190 176.4448 100 D 4.5637 8.5654 119.2851 55.1470 39.9791 176.2837 101 Q 4.6028 7.5871 117.6338 52.9987 32.6199 173.0133 102 P 4.3192 0.0000 0.0000 63.2656 31.8722 176.2469 103 V 4.5821 7.9137 114.3254 58.4195 35.7570 173.7447 104 P 4.3465 0.0000 0.0000 62.5247 31.7784 176.0105 105 N 4.4058 8.5721 119.2473 55.2894 38.7945 175.5944 106 G 4.0544 9.3558 111.3213 45.1961 0.0000 173.6711 107 T 3.9890 7.6503 116.9857 63.9945 69.3652 173.6616 108 K 4.8207 8.6434 125.4419 55.9670 33.3761 176.3896 109 I 4.3128 8.5387 125.4195 60.5347 38.5442 176.4153 110 G 3.9229 8.4779 113.6578 46.3547 0.0000 172.9572 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 8.16 4.46 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.12 0.00 2 A 8.52 3.83 1.36 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 0.00 0.00 3 V 8.55 3.55 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 1.08 0.00 0.00 0.95 0.00 0.00 4 I 7.80 3.76 2.04 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 1.53 0.43 0.97 0.00 0.00 5 D 7.70 4.36 0.00 2.92 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 6 D 8.18 4.38 0.00 2.91 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 7 F 8.44 4.31 0.00 3.15 3.23 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 8 E 8.32 3.99 0.00 2.12 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 2.46 2.72 0.00 9 K 7.76 4.06 0.00 1.89 1.83 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.15 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.71 7.81 10 L 7.05 4.09 0.00 1.39 1.46 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 11 D 9.27 4.65 0.00 2.59 2.56 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 12 I 7.86 4.88 1.84 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 1.30 0.50 0.99 0.00 0.00 13 R 9.14 5.36 0.00 1.73 1.88 0.00 3.40 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 1.56 1.57 0.00 14 T 8.77 4.91 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 1.30 0.00 0.00 15 G 8.73 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 16 T 8.07 4.97 4.14 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 0.00 0.00 0.00 1.15 0.00 0.00 17 I 8.33 4.05 2.01 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 1.14 0.79 0.90 0.00 0.00 18 V 8.69 4.00 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 0.64 0.00 0.00 0.97 0.00 0.00 19 K 7.81 4.75 0.00 1.76 1.56 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.42 7.81 20 A 8.38 5.18 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 21 E 9.07 4.63 0.00 1.93 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.23 0.00 22 E 9.02 4.19 0.00 1.91 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 2.33 2.29 0.00 23 F 8.93 5.33 0.00 2.78 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 24 P 0.00 4.35 0.00 2.22 2.18 0.00 4.02 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 25 E 8.12 3.99 0.00 2.09 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 2.40 2.41 0.00 26 A 6.67 3.71 0.56 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 27 R 8.55 3.90 0.00 1.73 1.95 0.00 3.19 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 28 V 7.31 4.27 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 0.91 0.00 0.00 0.91 0.00 0.00 29 P 0.00 4.46 0.00 1.95 1.96 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 30 A 8.68 4.89 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 31 I 8.77 4.89 1.86 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 1.25 0.87 0.90 0.00 0.00 32 K 8.86 4.24 0.00 1.30 1.12 0.00 0.98 0.00 0.00 0.87 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.37 7.81 33 L 9.52 5.22 0.00 1.64 1.52 0.89 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.65 4.84 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 1.07 0.00 0.00 0.99 0.00 0.00 35 I 9.16 4.71 1.68 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 0.98 0.56 0.01 0.00 0.00 36 D 9.09 4.77 0.00 2.61 2.44 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 37 F 8.83 4.56 0.00 3.22 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 38 G 8.79 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 0.00 0.00 0.00 0.00 39 T 8.32 3.87 4.25 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 1.22 0.00 0.00 40 E 8.06 4.11 0.00 2.08 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 2.30 2.28 0.00 41 I 7.75 3.72 1.98 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 1.27 0.53 0.83 0.00 0.00 42 G 8.30 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 43 I 8.23 4.63 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 1.36 0.85 0.93 0.00 0.00 44 K 9.46 4.96 0.00 2.02 1.77 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.52 7.81 45 Q 9.36 5.13 0.00 2.04 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.27 0.00 46 S 9.59 5.07 0.00 3.92 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.32 5.26 0.00 4.27 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 48 A 8.85 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 49 Q 8.39 4.37 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.43 0.00 0.00 0.00 0.00 0.00 2.49 2.34 0.00 50 I 7.24 4.70 1.93 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.98 0.85 0.00 0.00 51 T 8.14 4.03 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 1.31 0.00 0.00 52 K 8.34 4.05 0.00 1.75 1.90 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.46 7.81 53 R 7.92 4.33 0.00 1.23 1.31 0.00 3.07 0.00 0.00 3.05 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.65 0.00 54 Y 7.59 4.90 0.00 3.03 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 55 K 8.28 4.75 0.00 1.91 1.89 0.00 1.54 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.43 7.81 56 P 0.00 4.23 0.00 2.18 2.24 0.00 3.63 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 57 E 8.33 4.05 0.00 1.92 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 0.00 2.32 2.45 0.00 58 G 8.03 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 59 L 8.08 4.38 0.00 1.81 1.66 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.28 3.85 1.86 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 1.54 0.72 0.89 0.00 0.00 61 N 9.55 4.45 0.00 2.85 3.00 0.00 0.00 7.01 6.94 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 62 K 7.98 4.19 0.00 1.90 1.68 0.00 1.58 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.43 7.81 63 Q 8.65 4.72 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.56 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 64 V 8.76 4.69 2.06 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 0.63 0.00 0.00 0.92 0.00 0.00 65 I 8.19 5.16 1.90 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 1.30 0.97 0.95 0.00 0.00 66 A 9.24 5.10 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 67 V 8.49 4.28 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 1.13 0.00 0.00 0.89 0.00 0.00 68 V 8.85 3.89 1.69 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 -0.14 0.00 0.00 0.81 0.00 0.00 69 N 7.82 4.79 0.00 2.76 2.82 0.00 0.00 6.02 7.43 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 70 F 8.10 3.97 0.00 3.11 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 71 P 0.00 4.43 0.00 1.97 1.89 0.00 3.17 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.91 0.00 72 P 0.00 4.70 0.00 2.06 2.04 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 73 R 9.06 4.78 0.00 1.90 1.92 0.00 3.35 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 74 R 8.66 5.09 0.00 1.70 1.89 0.00 3.16 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 75 I 9.04 4.33 2.21 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 1.31 1.12 0.91 0.00 0.00 76 A 9.93 3.97 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 77 G 8.43 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 78 F 8.32 4.65 0.00 2.86 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 79 K 7.70 4.35 0.00 1.66 1.44 0.00 1.76 0.00 0.00 1.56 0.00 0.00 2.69 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.19 1.30 7.81 80 S 9.11 4.54 0.00 4.16 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 81 E 9.13 4.32 0.00 1.96 1.97 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 2.23 2.35 0.00 82 V 7.68 4.61 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 0.48 0.00 0.00 1.11 0.00 0.00 83 L 8.38 4.25 0.00 0.88 0.98 0.63 -0.04 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 84 V 8.20 4.26 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 0.80 0.00 0.00 0.99 0.00 0.00 85 L 9.22 4.42 0.00 1.59 1.56 0.94 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 86 G 8.38 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 0.00 0.00 0.00 0.00 87 G 9.29 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 88 I 8.49 4.92 1.88 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 1.04 1.13 0.98 0.00 0.00 89 P 0.00 4.37 0.00 2.18 2.18 0.00 3.91 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.97 0.00 90 G 7.59 3.91 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 0.00 0.00 0.00 91 Q 8.73 3.98 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.72 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 92 G 9.07 3.94 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 0.00 0.00 0.00 93 D 8.01 5.06 0.00 2.77 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.38 4.77 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 0.88 0.00 0.00 1.02 0.00 0.00 95 V 8.83 4.61 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 0.96 0.00 0.00 0.96 0.00 0.00 96 L 9.08 4.40 0.00 1.51 1.51 0.32 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.40 4.51 0.00 1.57 1.62 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 8.22 4.61 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.98 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 99 P 0.00 4.47 0.00 2.49 2.11 0.00 3.77 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 1.99 1.96 0.00 100 D 8.57 4.56 0.00 2.82 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 0.00 101 Q 7.59 4.60 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.90 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 102 P 0.00 4.32 0.00 2.03 2.00 0.00 3.62 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 2.03 2.12 0.00 103 V 7.91 4.58 2.10 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 0.79 0.00 0.00 0.95 0.00 0.00 104 P 0.00 4.35 0.00 2.18 1.98 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 105 N 8.57 4.41 0.00 2.70 2.83 0.00 0.00 7.15 7.65 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 0.00 106 G 9.36 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 0.00 107 T 7.65 3.99 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 1.24 0.00 0.00 108 K 8.64 4.82 0.00 1.65 1.73 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.64 7.81 109 I 8.54 4.31 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 1.22 0.44 1.05 0.00 0.00 110 G 8.48 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 0.00 0.00 0.00