NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4991 8.2893 120.3268 55.2316 33.3882 174.7630 1 V 4.3033 8.1423 122.3408 59.9385 34.2514 172.0942 2 L 4.6800 8.1450 124.0470 52.5433 44.9657 178.1528 3 S 4.5004 9.1911 117.8936 57.7963 65.2809 175.2200 4 E 4.2877 8.7565 121.9284 59.4025 29.4704 178.7834 5 G 3.6516 8.0962 105.4234 47.7759 0.0000 175.4393 6 E 3.9686 8.2044 120.8796 59.0248 29.4495 179.4258 7 W 4.3263 8.2611 119.0400 59.8986 28.9959 178.6443 8 Q 4.2604 8.5534 118.1785 58.7534 28.0797 178.7546 9 L 4.0571 7.8801 120.0946 57.6387 41.6672 179.5984 10 V 3.7339 7.9335 118.1719 66.2840 31.4522 178.2204 11 L 4.2406 8.8151 118.9205 57.7637 41.1443 179.1271 12 H 4.2092 8.4641 118.3136 59.3479 30.3463 177.5171 13 V 3.7188 8.0039 121.0178 64.4739 31.2433 178.0815 14 W 3.7808 8.5111 128.8091 59.9533 30.2649 177.8286 15 A 4.0223 7.6826 120.3238 54.8991 18.0529 179.4345 16 K 3.9366 7.6920 116.9014 59.2637 31.9942 179.8020 17 V 2.7475 6.9740 118.1862 65.5962 31.1972 177.5424 18 E 3.9152 7.5731 116.0056 58.1297 29.3201 178.3580 19 A 4.1693 7.3612 119.7138 53.3762 20.0238 177.0656 20 D 4.5264 7.8042 113.2098 52.1333 43.8609 175.9351 21 V 3.5144 7.6697 124.2372 66.0368 32.0400 176.5176 22 A 4.0341 8.0639 119.8754 55.3533 18.2122 179.7155 23 G 3.6508 8.3090 105.3508 47.7188 0.0000 175.6714 24 H 4.1637 8.3043 118.8107 58.5126 28.6114 178.1627 25 G 3.5778 8.5872 107.9589 47.8172 0.0000 175.8683 26 Q 3.9381 8.0085 120.2569 58.7011 28.7274 178.3962 27 D 4.2936 7.9910 119.8777 57.3832 40.9051 178.8576 28 I 3.6479 7.9169 120.4201 64.4873 37.0936 178.5297 29 L 3.5253 7.9697 119.8713 57.7254 41.3197 179.7762 30 I 3.7632 7.7409 119.7339 64.2150 37.0133 178.3887 31 R 3.7896 8.0134 119.6686 59.2605 29.7903 178.3704 32 L 3.8402 7.7513 120.0114 58.2829 41.7755 179.0318 33 F 4.5163 7.9178 117.5801 60.1549 38.5733 177.8411 34 K 4.1536 8.1221 117.9025 59.0877 32.0087 179.0448 35 S 4.3290 7.8526 114.7210 60.0620 64.3814 174.4134 36 H 4.7359 8.1893 118.5287 51.8782 29.3936 171.7576 37 P 4.5290 0.0000 0.0000 64.5845 31.5606 177.5640 38 E 4.3534 8.4688 117.6270 58.9734 29.5431 179.0917 39 T 3.8748 8.0137 110.8031 64.4729 68.7813 176.1437 40 L 3.5508 7.9152 123.2206 57.8626 41.5288 178.6766 41 E 4.0684 8.2229 118.0880 58.6647 29.0921 178.3424 42 K 4.5716 7.9162 116.4594 55.9119 33.0874 177.1999 43 F 4.3564 7.8400 119.0713 54.8359 39.5579 175.0669 44 D 4.3582 8.3824 125.6024 57.0377 40.9353 178.6460 45 R 4.2908 7.8064 116.8784 58.3666 30.4718 177.3644 46 F 5.0053 7.1737 113.0712 56.2258 38.0414 175.7435 47 K 4.0439 7.8163 120.2517 59.4362 32.6983 176.8446 48 H 4.6934 7.9205 115.9453 55.6674 28.9507 174.5721 49 L 4.5102 7.5101 121.1398 54.2439 42.2861 176.1236 50 K 4.3702 9.9227 123.0500 57.7873 34.1432 177.5115 51 T 4.4869 7.6067 108.3422 60.3573 71.8475 175.1505 52 E 3.9023 8.6063 121.8106 59.1433 29.7075 178.9529 53 A 3.9514 7.9034 120.5367 55.3337 18.3893 179.3410 54 E 3.9753 7.9853 115.5787 59.7091 29.6000 179.3262 55 M 4.2320 8.2343 119.1396 58.3243 31.8662 178.9337 56 K 4.0090 8.4213 117.6834 58.6926 32.3086 178.4859 57 A 4.3689 7.6753 119.0354 51.7439 19.3611 177.2737 58 S 4.1560 7.2470 114.2383 57.8738 63.0263 174.5741 59 E 4.0164 8.7952 128.3666 59.0774 29.4493 178.2786 60 D 4.3329 7.9398 118.6961 57.1817 40.9521 178.3242 61 L 2.9478 7.2274 120.3665 57.4619 42.0116 178.7526 62 K 3.7971 7.6243 119.0635 59.6417 32.1971 178.8739 63 K 3.9797 8.2716 118.9751 59.6784 31.8623 178.8802 64 H 4.3707 8.5512 118.8789 59.1996 29.8189 177.5228 65 G 3.5926 8.4998 108.0515 47.8576 0.0000 175.8366 66 V 3.6320 7.8046 120.6197 66.0242 31.5236 178.3566 67 T 3.9433 8.0623 115.6062 66.4167 68.2945 176.9485 68 V 3.5962 7.9785 120.2931 66.1933 31.6630 178.2096 69 L 4.2942 8.1383 118.7116 57.9937 41.5215 179.7154 70 T 3.9542 8.1667 115.6387 66.6963 68.3175 176.6461 71 A 4.0438 8.0595 122.7177 54.8707 18.2838 179.5509 72 L 3.6882 8.1161 119.1437 58.1837 42.0777 179.3145 73 G 3.2958 8.7863 105.7628 47.7301 0.0000 175.4511 74 A 4.0123 7.6708 121.8327 54.9119 18.7996 179.4924 75 I 3.8066 7.2901 118.6426 64.3099 37.1635 178.6074 76 L 3.9541 7.7617 120.0750 57.5012 41.1792 179.3573 77 K 4.0030 7.3961 116.8219 58.2374 32.3808 178.7227 78 K 3.9551 7.6925 118.2115 56.1574 32.2366 176.8569 79 K 2.0000 8.2694 117.7987 56.7543 30.0410 175.0560 80 G 4.0318 7.8642 107.4500 46.2926 0.0000 175.1696 81 H 4.5578 7.4571 118.3091 54.6433 27.1636 174.5858 82 H 5.1840 7.2392 112.2321 54.3050 29.7231 176.8378 83 E 3.9523 8.5461 121.9416 60.4121 29.1210 178.4028 84 A 4.0465 8.0111 118.4665 54.6654 18.5045 178.1756 85 E 4.4821 7.7735 115.6829 56.2064 29.6873 177.2952 86 L 4.4429 7.4106 121.5820 55.9072 44.7949 178.0702 87 K 3.8891 8.3870 119.6636 59.3034 31.7822 176.6239 88 P 4.3077 0.0000 0.0000 65.6666 31.4843 177.8735 89 L 4.1627 7.9864 117.8220 57.0933 42.3061 177.4276 90 A 4.5408 7.9318 119.9636 54.2692 19.6118 178.6667 91 Q 3.9433 8.3697 117.0026 59.5740 28.7654 179.0010 92 S 4.2380 8.4504 114.3122 60.0894 62.0537 174.5383 93 H 4.0791 7.4493 120.4375 57.7358 29.8148 177.0583 94 A 3.8846 7.9610 122.2833 53.9777 19.4525 178.5769 95 T 4.0740 7.4312 103.1891 62.2561 70.0390 175.9294 96 K 4.0807 9.0516 123.2452 58.0867 32.7470 176.6929 97 H 4.5718 7.6595 112.9287 55.0020 31.2483 173.8597 98 K 3.3014 7.6460 115.4219 56.8206 27.8463 177.0030 99 I 4.1552 8.2228 119.5276 59.5193 37.9076 175.2318 100 P 4.4466 0.0000 0.0000 62.5739 32.1821 177.7020 101 I 3.6883 9.4727 123.8935 64.4387 36.9897 178.9711 102 K 3.9854 7.8139 120.4052 59.6563 32.1130 178.6186 103 Y 4.1821 7.7579 117.3032 60.8563 37.8673 178.3263 104 L 4.1620 7.9027 119.5312 57.8249 41.3848 179.2323 105 E 4.0706 7.9171 118.2380 59.1780 29.3338 179.3801 106 F 4.6181 7.8272 118.0950 60.7285 38.9988 177.5734 107 I 3.9211 8.2733 118.1344 63.7721 37.7642 178.1711 108 S 4.2274 8.1698 116.3447 61.5296 62.6884 176.0902 109 E 4.0375 8.2226 121.8291 59.2363 29.2960 178.7625 110 A 4.0517 8.0265 120.4580 55.0612 18.3600 179.6893 111 I 3.6894 8.0389 118.3898 64.6663 37.2674 178.7448 112 I 3.9384 7.9744 120.5823 64.6491 36.9370 177.9759 113 H 4.1702 8.4415 119.0465 59.4134 29.7673 177.5159 114 V 3.5967 8.1667 120.2856 65.9692 31.3243 178.0033 115 L 3.8102 8.0866 118.9921 57.7506 41.0525 178.9935 116 H 4.5469 8.1891 117.4154 59.4641 29.9734 176.9631 117 S 4.1064 7.9718 113.7712 61.2190 62.3100 175.7397 118 R 4.1428 7.7904 118.7276 57.2338 31.2460 176.3333 119 H 5.0232 8.0877 116.3527 53.9987 29.6312 173.1287 120 P 4.2904 0.0000 0.0000 65.5257 31.7522 178.4183 121 G 3.8023 8.1352 107.0658 47.1726 0.0000 173.7274 122 D 4.8323 8.0457 116.8441 53.7547 41.6139 176.4027 123 F 4.6384 8.4570 123.5296 56.9789 38.0087 175.6574 124 G 4.0653 7.4985 111.6965 43.2315 0.0000 170.1054 125 A 3.8593 8.3964 120.6532 55.2826 18.4361 179.7726 126 D 4.1757 7.9496 116.5169 57.5543 40.9727 178.7590 127 A 3.9724 7.7470 120.5940 55.3051 18.3452 179.5641 128 Q 3.5257 7.8346 116.9405 58.6739 28.6797 179.2020 129 G 3.4573 8.1920 106.8797 47.5927 0.0000 175.7491 130 A 3.8302 7.9434 123.2837 54.9959 18.3510 179.4204 131 M 3.9799 8.2215 116.8971 58.6936 32.3099 177.8746 132 N 4.3198 8.3973 117.4023 56.7656 39.0583 176.9765 133 K 3.8965 8.0663 119.5740 59.2379 32.0965 179.2096 134 A 3.8808 8.0287 121.3406 55.2963 18.3528 179.8092 135 L 4.1823 8.3814 117.7493 57.5661 41.6398 179.4283 136 E 3.9583 8.4465 119.8661 58.9746 29.6262 178.3830 137 L 3.9721 8.2214 120.7124 58.2005 42.2927 178.6514 138 F 4.2679 8.4184 120.4706 61.5426 39.2263 177.3641 139 R 3.4492 8.0809 117.5893 58.9051 29.8371 179.1634 140 K 3.8426 8.0371 118.2727 59.6217 32.0660 179.1702 141 D 4.3205 8.0876 119.0553 57.3625 40.7075 178.9552 142 I 3.3775 7.3112 119.8206 64.1030 36.9221 178.3860 143 A 3.6619 7.9064 121.5527 54.6449 18.0612 179.6253 144 A 3.8821 7.8483 119.6178 55.2862 18.2410 180.0390 145 K 3.9987 7.7377 115.9442 60.0722 32.2132 178.6420 146 Y 4.4857 8.1235 117.0295 60.9181 37.7041 178.5034 147 K 4.0274 8.5838 118.9874 59.9642 32.2912 178.8758 148 E 4.1183 8.5136 117.4666 58.0099 29.4084 177.1164 149 L 4.6404 8.9520 118.8915 54.5298 42.4276 177.8539 150 G 4.0245 8.4076 110.0391 45.7194 0.0000 174.2248 151 Y 4.3657 7.5903 121.3868 57.7718 39.7215 175.8755 152 Q 4.5965 8.6331 127.2284 53.7985 28.1833 175.8366 153 G 3.4738 6.3618 111.4854 45.9111 0.0000 171.8637 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 0 M 8.29 4.50 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 1 V 8.14 4.30 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 0.65 0.00 0.00 0.97 0.00 0.00 2 L 8.15 4.68 0.00 0.70 0.88 0.42 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.19 4.50 0.00 4.01 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 4 E 8.76 4.29 0.00 2.19 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 0.00 2.43 2.50 0.00 5 G 8.10 3.65 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 0.00 0.00 0.00 6 E 8.20 3.97 0.00 2.07 1.75 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 2.23 2.27 0.00 7 W 8.26 4.33 0.00 3.59 3.17 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 8 Q 8.55 4.26 0.00 2.31 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.70 2.60 0.00 9 L 7.88 4.06 0.00 1.95 1.77 0.90 0.69 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 10 V 7.93 3.73 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 1.20 0.00 0.00 0.93 0.00 0.00 11 L 8.82 4.24 0.00 1.81 1.81 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.46 4.21 0.00 3.36 3.58 0.00 5.95 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.00 3.72 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 0.99 0.00 0.00 0.68 0.00 0.00 14 W 8.51 3.78 0.00 3.72 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 15 A 7.68 4.02 1.27 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 16 K 7.69 3.94 0.00 1.74 1.50 0.00 1.46 0.00 0.00 1.34 0.00 0.00 2.78 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.32 1.26 7.81 17 V 6.97 2.75 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 0.00 0.00 0.06 0.00 0.00 0.12 0.00 0.00 18 E 7.57 3.92 0.00 2.05 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 2.30 2.23 0.00 19 A 7.36 4.17 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 20 D 7.80 4.53 0.00 2.68 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 21 V 7.67 3.51 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 0.86 0.00 0.00 0.85 0.00 0.00 22 A 8.06 4.03 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 23 G 8.31 3.65 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 0.00 0.00 0.00 24 H 8.30 4.16 0.00 3.21 3.20 0.00 5.63 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 25 G 8.59 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.01 3.94 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 27 D 7.99 4.29 0.00 2.81 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.92 3.65 1.89 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 1.52 0.84 0.90 0.00 0.00 29 L 7.97 3.53 0.00 1.61 1.41 0.98 0.96 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 30 I 7.74 3.76 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.71 0.92 0.00 0.00 31 R 8.01 3.79 0.00 1.94 2.12 0.00 3.02 0.00 0.00 2.91 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 32 L 7.75 3.84 0.00 1.64 1.42 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.92 4.52 0.00 3.09 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 K 8.12 4.15 0.00 1.74 1.83 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.67 1.62 7.81 35 S 7.85 4.33 0.00 3.67 3.60 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 36 H 8.19 4.74 0.00 2.92 3.01 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.53 0.00 2.15 2.12 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 2.10 2.16 0.00 38 E 8.47 4.35 0.00 2.29 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 2.41 2.41 0.00 39 T 8.01 3.87 4.32 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 0.72 0.00 0.00 40 L 7.92 3.55 0.00 1.55 1.76 0.00 0.86 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 41 E 8.22 4.07 0.00 2.22 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 2.33 2.48 0.00 42 K 7.92 4.57 0.00 1.98 1.48 0.00 1.61 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.67 1.95 7.81 43 F 7.84 4.36 0.00 2.06 1.66 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.38 4.36 0.00 2.61 2.71 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 45 R 7.81 4.29 0.00 2.05 2.39 0.00 3.33 0.00 0.00 3.59 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 46 F 7.17 5.01 0.00 3.10 3.14 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 0.00 47 K 7.82 4.04 0.00 1.80 1.95 0.00 1.47 0.00 0.00 1.70 0.00 0.00 2.70 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.12 7.81 48 H 7.92 4.69 0.00 3.18 3.34 0.00 5.69 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.51 4.51 0.00 1.64 1.62 1.00 1.06 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 50 K 9.92 4.37 0.00 1.67 1.81 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.34 7.81 51 T 7.61 4.49 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 52 E 8.61 3.90 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 2.37 2.38 0.00 53 A 7.90 3.95 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 54 E 7.99 3.98 0.00 2.16 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 2.35 2.36 0.00 55 M 8.23 4.23 0.00 2.10 2.28 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.65 0.00 56 K 8.42 4.01 0.00 1.79 1.85 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.63 7.81 57 A 7.68 4.37 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 58 S 7.25 4.16 0.00 3.93 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 59 E 8.80 4.02 0.00 2.11 1.91 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 2.37 2.45 0.00 60 D 7.94 4.33 0.00 2.75 2.88 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 61 L 7.23 2.95 0.00 1.04 1.36 1.04 0.27 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 62 K 7.62 3.80 0.00 1.95 1.88 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.44 7.81 63 K 8.27 3.98 0.00 1.88 1.88 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.71 7.81 64 H 8.55 4.37 0.00 3.49 3.46 0.00 5.79 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 65 G 8.50 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.80 3.63 2.24 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 1.03 0.00 0.00 0.93 0.00 0.00 67 T 8.06 3.94 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 1.29 0.00 0.00 68 V 7.98 3.60 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 1.12 0.00 0.00 0.93 0.00 0.00 69 L 8.14 4.29 0.00 1.83 1.81 0.89 0.79 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 70 T 8.17 3.95 4.43 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 1.26 0.00 0.00 71 A 8.06 4.04 1.41 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 72 L 8.12 3.69 0.00 1.73 1.84 0.21 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.79 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 0.00 0.00 0.00 74 A 7.67 4.01 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 75 I 7.29 3.81 1.74 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 1.53 1.07 0.79 0.00 0.00 76 L 7.76 3.95 0.00 1.16 1.51 -0.30 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.40 4.00 0.00 1.58 1.79 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.45 1.50 7.81 78 K 7.69 3.96 0.00 1.87 1.79 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.60 1.74 7.81 79 K 8.27 2.00 0.00 1.18 0.74 0.00 1.40 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.55 1.02 7.81 80 G 7.86 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 0.00 0.00 0.00 81 H 7.46 4.56 0.00 3.06 3.23 0.00 5.81 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.24 5.18 0.00 3.25 3.54 0.00 5.66 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 83 E 8.55 3.95 0.00 2.03 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 2.40 2.35 0.00 84 A 8.01 4.05 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 85 E 7.77 4.48 0.00 2.02 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 2.26 2.34 0.00 86 L 7.41 4.44 0.00 1.77 1.80 0.84 0.22 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 87 K 8.39 3.89 0.00 1.87 1.86 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.52 7.81 88 P 0.00 4.31 0.00 2.35 2.31 0.00 3.75 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 2.11 2.04 0.00 89 L 7.99 4.16 0.00 1.74 1.96 1.16 1.04 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 90 A 7.93 4.54 1.44 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 0.00 0.00 91 Q 8.37 3.94 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 92 S 8.45 4.24 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 93 H 7.45 4.08 0.00 3.58 3.60 0.00 5.85 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.96 3.88 1.41 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 95 T 7.43 4.07 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 1.18 0.00 0.00 96 K 9.05 4.08 0.00 1.58 1.56 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.07 1.28 7.81 97 H 7.66 4.57 0.00 3.06 3.15 0.00 5.86 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.65 3.30 0.00 1.77 1.64 0.00 1.59 0.00 0.00 1.50 0.00 0.00 2.86 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.88 1.20 7.81 99 I 8.22 4.16 2.14 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.01 1.15 0.00 0.00 100 P 0.00 4.45 0.00 1.51 1.71 0.00 2.93 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 1.29 1.89 0.00 101 I 9.47 3.69 1.83 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 1.44 1.10 0.81 0.00 0.00 102 K 7.81 3.99 0.00 1.60 1.92 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.35 1.42 7.81 103 Y 7.76 4.18 0.00 3.28 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 0.00 104 L 7.90 4.16 0.00 1.86 1.75 0.66 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.92 4.07 0.00 1.99 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 2.28 2.49 0.00 106 F 7.83 4.62 0.00 3.29 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 0.00 107 I 8.27 3.92 2.01 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.40 1.12 0.00 0.00 108 S 8.17 4.23 0.00 4.22 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 0.00 109 E 8.22 4.04 0.00 2.08 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 2.39 2.57 0.00 110 A 8.03 4.05 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 0.00 111 I 8.04 3.69 2.14 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.87 1.07 0.00 0.00 112 I 7.97 3.94 2.02 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.27 1.12 0.00 0.00 113 H 8.44 4.17 0.00 3.49 3.53 0.00 5.59 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 0.00 114 V 8.17 3.60 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 0.92 0.00 0.00 1.01 0.00 0.00 115 L 8.09 3.81 0.00 1.09 0.31 0.68 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.19 4.55 0.00 3.53 3.65 0.00 5.95 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.97 4.11 0.00 3.81 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 0.00 118 R 7.79 4.14 0.00 1.57 1.58 0.00 3.25 0.00 0.00 2.98 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 119 H 8.09 5.02 0.00 3.22 3.50 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.29 0.00 2.14 2.16 0.00 3.71 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 1.97 1.91 0.00 121 G 8.14 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 0.00 122 D 8.05 4.83 0.00 2.87 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 0.00 123 F 8.46 4.64 0.00 3.03 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 0.00 124 G 7.50 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 0.00 125 A 8.40 3.86 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 0.00 126 D 7.95 4.18 0.00 2.72 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 0.00 127 A 7.75 3.97 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 0.00 128 Q 7.83 3.53 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 129 G 8.19 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.94 3.83 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 0.00 131 M 8.22 3.98 0.00 2.38 2.39 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.88 0.00 132 N 8.40 4.32 0.00 2.94 2.94 0.00 0.00 7.24 7.40 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 0.00 133 K 8.07 3.90 0.00 1.84 1.68 0.00 1.57 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.56 7.81 134 A 8.03 3.88 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 0.00 135 L 8.38 4.18 0.00 1.75 1.87 1.02 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.45 3.96 0.00 2.19 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 2.30 2.31 0.00 137 L 8.22 3.97 0.00 1.92 2.05 0.98 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.42 4.27 0.00 3.16 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 0.00 139 R 8.08 3.45 0.00 1.94 1.80 0.00 3.14 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 2.01 0.00 140 K 8.04 3.84 0.00 1.93 1.81 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.63 7.81 141 D 8.09 4.32 0.00 2.75 2.71 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 0.00 142 I 7.31 3.38 1.45 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.32 0.02 0.00 0.00 143 A 7.91 3.66 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 0.00 144 A 7.85 3.88 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 0.00 145 K 7.74 4.00 0.00 1.86 1.94 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.59 1.60 7.81 146 Y 8.12 4.49 0.00 3.09 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 0.00 147 K 8.58 4.03 0.00 1.93 1.89 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.54 7.81 148 E 8.51 4.12 0.00 2.06 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 0.00 2.34 2.37 0.00 149 L 8.95 4.64 0.00 1.96 1.66 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.41 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 0.00 0.00 0.00 0.00 151 Y 7.59 4.37 0.00 2.74 2.59 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 0.00 0.00 0.00 152 Q 8.63 4.60 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.26 0.00 153 G 6.36 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