NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9197 8.3544 109.7359 45.6255 0.0000 173.0949 2 S 4.1402 8.5649 112.6872 60.0682 62.7206 173.2886 3 S 4.3942 8.0517 115.2697 57.7936 64.3375 173.1004 4 G 4.1406 8.5297 112.9860 43.8015 0.0000 172.7586 5 S 4.5849 8.3125 120.2421 56.8128 66.8620 173.9627 6 S 4.3051 8.5799 119.0595 58.5264 63.1878 174.3789 7 G 3.8786 8.5656 112.3212 44.9885 0.0000 172.2379 8 I 4.4332 7.8406 118.6809 58.6815 39.2165 174.1153 9 P 4.7261 0.0000 0.0000 63.0281 32.9536 174.9715 10 T 5.1697 8.1290 110.4278 61.0916 72.7914 170.9731 11 C 4.7600 9.2546 120.8722 58.2028 35.7743 171.6149 12 K 4.8860 8.5466 120.2554 54.7604 34.3334 176.3454 13 I 4.1170 8.7183 128.6329 59.8082 37.4901 173.0085 14 T 4.4013 7.9497 120.4653 62.2703 69.0504 173.4247 15 L 4.6076 8.1606 126.8553 52.6513 44.3565 176.0216 16 K 4.9373 8.7734 123.1930 54.6619 34.0242 174.8734 17 E 4.7194 8.6511 125.7787 54.4547 33.3175 174.5367 18 T 5.1403 8.1878 119.4790 61.9335 71.3421 173.8701 19 F 4.9845 9.1879 122.4218 55.1008 42.8578 175.4460 20 L 4.6371 8.3706 122.2032 55.2185 41.0500 176.6123 21 T 4.4828 7.5630 110.8319 60.2924 70.9098 172.9003 22 S 4.3804 8.1384 120.2478 57.4033 63.9481 173.4193 23 P 4.1889 0.0000 0.0000 66.2151 30.8189 178.2575 24 E 3.9299 8.1406 116.1536 60.1905 29.5361 177.9706 25 E 4.0068 8.1478 119.2689 58.9525 29.6887 178.3025 26 L 4.0200 7.6950 120.3648 58.0213 42.1127 178.3459 27 Y 3.7779 8.1184 118.6364 59.4240 38.8008 177.2404 28 R 4.5515 8.0384 120.1935 57.7759 30.9383 178.4790 29 V 3.8283 7.8903 116.2885 65.3377 31.4224 176.2818 30 F 4.4937 7.9257 114.9681 57.7201 40.4510 176.4703 31 T 4.6309 8.4908 110.3839 61.2317 69.0478 173.7092 32 T 4.4051 7.5255 118.4407 61.6362 71.5868 173.5758 33 Q 3.9125 8.7991 126.6481 59.6696 29.0887 177.9794 34 E 3.7848 8.1937 118.7159 59.9230 29.5110 178.8497 35 L 4.2624 7.8130 117.2930 58.1472 41.8394 180.1576 36 V 3.2122 8.0971 118.3464 65.8820 31.0809 177.7814 37 Q 4.3768 8.0030 116.6372 56.6316 28.1403 178.0500 38 A 3.9848 7.1325 122.6364 54.4003 19.4031 178.9980 39 F 5.1236 8.1421 110.8647 57.5393 38.9933 176.5113 40 T 4.3058 7.1687 109.5448 60.9064 69.7210 174.1259 41 H 4.0819 7.5425 116.3456 55.8814 27.1423 173.9245 42 A 4.5547 7.4674 117.3037 49.6413 22.4225 174.3348 43 P 4.2816 0.0000 0.0000 62.7993 31.8070 174.3175 44 A 4.8209 8.3475 124.5486 50.2606 22.0244 175.8764 45 T 4.5239 9.0929 118.1925 61.7860 71.1428 172.3843 46 L 4.9084 8.5029 127.9903 53.2877 44.3563 175.8647 47 E 4.3802 7.9997 124.0616 53.9602 31.6914 175.0022 48 A 3.8509 8.4981 127.0261 52.7255 17.6080 176.2191 49 D 4.3719 7.5569 117.4381 54.2129 44.4222 176.3204 50 R 4.3701 8.7135 122.0559 60.2773 28.8500 176.6900 51 G 4.0762 9.3047 111.0282 44.5560 0.0000 172.1673 52 G 3.8162 8.5631 108.1433 46.2954 0.0000 172.3135 53 K 5.3421 8.6596 118.0025 53.2885 35.4610 175.5059 54 F 5.3190 8.6573 119.9660 55.3758 40.4072 173.5628 55 H 5.4937 9.3653 124.5248 54.4450 32.8313 172.4839 56 M 4.8063 9.0127 121.7011 53.9871 35.8273 174.2356 57 V 3.1806 8.6954 114.5052 64.2052 29.6265 171.0819 58 D 4.1051 8.7196 112.2879 55.2456 39.1113 173.2222 59 G 3.1971 7.3611 101.7831 46.2449 0.0000 175.1288 60 N 4.5890 7.5908 117.5896 53.1471 39.9412 174.9339 61 V 4.6552 8.2531 118.4638 59.8118 34.4492 174.7850 62 S 4.9246 6.8496 121.4463 55.5733 66.5594 172.2112 63 G 4.3022 7.2136 102.5487 46.9697 0.0000 171.5349 64 E 5.9800 8.3732 116.4830 55.2136 33.2558 174.4200 65 F 4.8399 9.4885 122.8348 57.9727 39.6073 175.7160 66 T 4.3950 9.3434 114.7207 62.8017 70.5818 174.7137 67 D 4.9376 7.8833 119.8096 52.3265 45.3434 174.6595 68 L 4.7832 8.5991 123.8635 53.6863 45.2056 175.3299 69 V 4.4199 8.6083 124.7454 59.9328 34.1899 172.8712 70 P 4.0326 0.0000 0.0000 64.3241 31.4773 176.8190 71 E 2.5400 6.0487 125.6479 56.9645 27.0350 175.2150 72 K 4.5409 7.1685 119.6389 57.0471 35.1092 177.2668 73 H 5.2705 7.7445 112.3462 55.1902 31.9305 171.9404 74 I 4.9354 8.6417 119.7016 59.6962 41.5881 174.4043 75 V 4.8975 8.4461 127.1321 61.3442 34.0047 174.2984 76 M 5.2529 9.2368 124.7932 54.3617 35.4606 173.7482 77 K 5.3046 9.1447 117.8911 55.4712 34.6570 176.1031 78 W 5.5190 9.4712 132.1253 56.1726 34.7092 174.0188 79 R 2.9329 6.8553 120.5301 55.2815 32.7825 173.2999 80 F 4.8424 5.5866 117.2786 55.2107 41.8313 176.8529 81 K 4.1526 9.0335 120.4446 57.7615 32.0109 177.1125 82 S 4.7343 7.8942 110.5167 58.4338 62.9740 173.5266 83 W 4.6621 7.8678 118.3830 55.4858 29.5345 174.2192 84 P 4.3866 0.0000 0.0000 62.4734 31.1934 175.4675 85 E 4.1723 8.6752 119.8255 57.3692 30.2911 176.2806 86 G 4.1929 8.8980 113.2704 47.2139 0.0000 174.0588 87 H 4.7848 8.3663 116.6864 54.1116 31.0513 171.2966 88 F 5.3890 8.9858 123.6523 55.4183 42.9689 174.1094 89 A 4.9824 9.3794 121.1119 50.6160 22.0279 175.9203 90 T 4.4995 8.6475 119.5951 63.5736 69.4074 173.5690 91 I 4.9228 9.3022 128.8108 59.8636 39.8156 175.2746 92 T 4.9372 8.6547 123.6839 61.7556 70.6373 173.6348 93 L 4.5857 9.0859 127.0549 53.9380 43.8836 176.3811 94 T 5.0159 7.7448 116.0901 62.3555 73.1114 172.6630 95 F 4.8325 9.0728 125.2829 55.9197 40.5688 175.3792 96 I 4.5824 8.0109 123.4923 59.4792 40.6801 173.8504 97 D 5.0828 8.5385 123.8139 52.5202 42.4513 176.0844 98 K 4.4373 8.2579 123.1186 55.7758 33.5952 175.3277 99 N 4.1110 8.5993 115.2636 53.5606 36.8481 173.4697 100 G 3.5181 7.3428 112.2871 45.2412 0.0000 172.6957 101 E 5.0136 7.8150 118.7648 54.7446 34.4468 175.0951 102 T 5.5581 8.9530 116.6078 60.8980 72.5574 173.2284 103 E 4.6799 8.7826 128.0699 54.9278 30.6533 174.9675 104 L 4.6686 8.8264 131.7174 53.7970 42.9405 175.3180 105 C 4.5714 8.2779 128.7857 58.3021 32.0023 171.2122 106 M 4.3327 9.0645 126.8893 54.5971 33.7755 174.5627 107 E 4.3354 8.7056 124.8104 54.4676 32.3976 173.4149 108 G 4.4849 8.4628 114.1906 44.1110 0.0000 170.7451 109 R 4.7452 9.3403 121.0336 55.8213 32.2268 174.3714 110 G 3.5248 8.3053 113.7536 44.8862 0.0000 172.9781 111 I 3.9569 7.8099 123.1583 59.7386 37.7647 173.4962 112 P 4.3652 0.0000 0.0000 62.9035 30.4873 176.4445 113 A 3.9464 8.7670 125.9414 55.2231 18.1079 177.6669 114 P 4.4995 0.0000 0.0000 64.9973 31.6964 177.5845 115 E 4.6803 7.3085 114.2572 56.1373 30.1598 177.0195 116 E 3.8799 8.2732 120.6613 59.8278 29.5300 178.0484 117 E 3.8734 8.2082 117.9436 59.6498 29.6770 178.7837 118 R 3.9998 8.2169 117.7343 60.7657 29.7964 177.5000 119 T 4.2990 8.7009 113.8182 67.0262 68.7779 175.6026 120 R 3.8744 8.3528 119.8078 59.9315 30.0214 178.9769 121 Q 4.1641 8.5794 117.2110 58.2623 28.8050 178.7368 122 G 4.0530 8.1652 104.6727 44.8066 0.0000 175.0257 123 W 3.9340 7.6339 130.0930 59.3440 30.9379 177.7202 124 Q 3.5585 7.7202 117.4159 58.5935 28.2005 178.5068 125 R 3.9506 7.7128 118.7272 58.9456 30.3419 177.4516 126 Y 4.9613 7.2462 112.9413 59.7628 39.9124 176.8800 127 Y 3.7380 8.2703 117.8752 60.6965 37.7937 177.8664 128 F 4.9986 7.8950 117.6437 59.6661 39.4443 178.1866 129 E 4.0716 8.7519 118.3366 59.5938 29.4502 180.3981 130 G 3.8801 7.8045 105.9341 47.8831 0.0000 176.0386 131 I 3.9065 7.3423 122.4996 64.3315 37.2380 178.6986 132 K 4.1858 8.4688 119.6661 59.5680 32.0397 178.6907 133 Q 4.1370 7.7487 117.9587 58.9481 29.2325 177.7967 134 T 3.9868 8.4434 116.8336 67.2398 68.4014 176.2078 135 F 4.1005 8.8442 119.2010 57.7483 39.2052 176.3634 136 G 4.4116 7.5806 105.0494 46.7001 0.0000 173.0777 137 Y 5.0769 8.0323 114.4425 57.8046 38.5162 175.6721 138 G 4.2852 8.1453 107.4647 43.8435 0.0000 173.4810 139 A 4.7790 8.1290 123.4076 50.1226 21.6445 175.7166 140 S 4.6295 7.8737 111.0231 57.5848 66.1922 173.7652 141 G 4.1232 8.6430 108.3495 44.4345 0.0000 171.6527 142 P 4.4405 0.0000 0.0000 62.3468 32.1285 175.8318 143 S 4.7958 8.3153 116.3392 57.0059 66.5774 173.3583 144 S 4.6936 8.2747 114.3202 57.4081 62.4544 174.1590 145 G 3.9305 8.2140 113.2253 46.0071 0.0000 173.6682 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 G 8.35 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 2 S 8.56 4.14 0.00 3.92 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 3 S 8.05 4.39 0.00 3.90 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 8.53 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 0.00 0.00 0.00 0.00 5 S 8.31 4.58 0.00 3.80 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.58 4.31 0.00 3.83 3.75 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 7 G 8.57 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 8 I 7.84 4.43 1.88 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.65 0.81 0.00 0.00 9 P 0.00 4.73 0.00 2.08 2.14 0.00 3.59 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 10 T 8.13 5.17 4.28 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 1.27 0.00 0.00 11 C 9.25 4.76 0.00 2.98 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 12 K 8.55 4.89 0.00 1.73 1.59 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.68 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.22 1.59 7.81 13 I 8.72 4.12 1.38 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.72 0.22 0.00 0.00 14 T 7.95 4.40 4.15 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 1.13 0.00 0.00 15 L 8.16 4.61 0.00 1.56 1.74 0.04 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.77 4.94 0.00 1.55 1.69 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.26 1.33 7.81 17 E 8.65 4.72 0.00 1.97 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 1.83 2.13 0.00 18 T 8.19 5.14 4.16 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 1.29 0.00 0.00 19 F 9.19 4.98 0.00 2.81 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 20 L 8.37 4.64 0.00 1.70 1.77 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.56 4.48 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 0.54 0.00 0.00 22 S 8.14 4.38 0.00 3.87 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.19 0.00 2.03 2.08 0.00 3.58 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 2.07 2.34 0.00 24 E 8.14 3.93 0.00 2.32 1.98 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 2.31 2.44 0.00 25 E 8.15 4.01 0.00 2.09 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 2.29 2.49 0.00 26 L 7.69 4.02 0.00 1.61 1.74 0.74 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.12 3.78 0.00 2.46 2.91 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 28 R 8.04 4.55 0.00 1.92 1.95 0.00 3.41 0.00 0.00 3.39 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 29 V 7.89 3.83 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 0.32 0.00 0.00 0.30 0.00 0.00 30 F 7.93 4.49 0.00 3.12 3.15 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 31 T 8.49 4.63 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 32 T 7.53 4.41 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 1.23 0.00 0.00 33 Q 8.80 3.91 0.00 2.27 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 34 E 8.19 3.78 0.00 2.06 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 2.40 2.43 0.00 35 L 7.81 4.26 0.00 2.09 2.08 1.09 1.08 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 36 V 8.10 3.21 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 0.62 0.00 0.00 0.98 0.00 0.00 37 Q 8.00 4.38 0.00 2.20 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.47 0.00 0.00 0.00 0.00 0.00 2.52 2.19 0.00 38 A 7.13 3.98 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 39 F 8.14 5.12 0.00 3.39 3.50 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 40 T 7.17 4.31 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 0.33 0.00 0.00 41 H 7.54 4.08 0.00 3.23 3.33 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.47 4.55 1.10 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 0.00 0.00 43 P 0.00 4.28 0.00 1.98 1.99 0.00 3.55 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.06 0.00 44 A 8.35 4.82 1.08 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 0.00 0.00 0.00 0.00 0.00 45 T 9.09 4.52 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 1.18 0.00 0.00 46 L 8.50 4.91 0.00 1.66 1.61 1.01 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.00 4.38 0.00 1.49 1.71 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 2.15 2.28 0.00 48 A 8.50 3.85 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 49 D 7.56 4.37 0.00 2.57 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 50 R 8.71 4.37 0.00 1.86 2.00 0.00 3.23 0.00 0.00 3.29 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 51 G 9.30 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.56 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 0.00 0.00 0.00 53 K 8.66 5.34 0.00 1.66 1.60 0.00 1.84 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.36 7.81 54 F 8.66 5.32 0.00 3.22 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 0.00 55 H 9.37 5.49 0.00 3.02 3.04 0.00 5.56 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 M 9.01 4.81 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.74 0.00 57 V 8.70 3.18 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 0.74 0.00 0.00 0.97 0.00 0.00 58 D 8.72 4.11 0.00 2.75 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 59 G 7.36 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 N 7.59 4.59 0.00 3.00 2.94 0.00 0.00 6.70 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.25 4.66 1.85 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 -0.31 0.00 0.00 0.41 0.00 0.00 62 S 6.85 4.92 0.00 3.46 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 63 G 7.21 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 0.00 0.00 0.00 0.00 64 E 8.37 5.98 0.00 2.05 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 2.30 2.29 0.00 65 F 9.49 4.84 0.00 3.32 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 66 T 9.34 4.40 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 1.29 0.00 0.00 67 D 7.88 4.94 0.00 2.75 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.60 4.78 0.00 1.64 1.71 1.24 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.61 4.42 2.22 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 0.89 0.00 0.00 0.99 0.00 0.00 70 P 0.00 4.03 0.00 1.99 2.00 0.00 3.79 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 2.02 2.15 0.00 71 E 6.05 2.54 0.00 1.67 1.68 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 1.85 1.89 0.00 72 K 7.17 4.54 0.00 1.62 1.73 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.24 1.44 7.81 73 H 7.74 5.27 0.00 3.40 3.35 0.00 5.42 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 74 I 8.64 4.94 1.92 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.10 0.63 0.00 0.00 75 V 8.45 4.90 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 1.04 0.00 0.00 0.84 0.00 0.00 76 M 9.24 5.25 0.00 1.63 2.40 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 2.77 2.57 0.00 77 K 9.14 5.30 0.00 2.04 2.18 0.00 1.39 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.59 1.47 7.81 78 W 9.47 5.52 0.00 3.69 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 79 R 6.86 2.93 0.00 1.50 1.62 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.77 0.00 80 F 5.59 4.84 0.00 1.98 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 81 K 9.03 4.15 0.00 1.86 1.79 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.44 1.50 7.81 82 S 7.89 4.73 0.00 3.84 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 W 7.87 4.66 0.00 3.35 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 84 P 0.00 4.39 0.00 2.02 2.03 0.00 3.50 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.99 0.00 85 E 8.68 4.17 0.00 1.97 1.90 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 2.35 2.45 0.00 86 G 8.90 4.19 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 0.00 87 H 8.37 4.78 0.00 3.26 3.28 0.00 5.87 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 F 8.99 5.39 0.00 2.96 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 89 A 9.38 4.98 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 0.00 0.00 0.00 0.00 0.00 0.00 90 T 8.65 4.50 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 1.29 0.00 0.00 91 I 9.30 4.92 2.29 0.00 0.00 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 1.59 0.60 1.17 0.00 0.00 92 T 8.65 4.94 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 1.26 0.00 0.00 93 L 9.09 4.59 0.00 1.49 1.20 1.14 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 94 T 7.74 5.02 4.16 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 1.26 0.00 0.00 95 F 9.07 4.83 0.00 2.70 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.01 4.58 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.73 0.89 0.00 0.00 97 D 8.54 5.08 0.00 2.62 2.52 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 98 K 8.26 4.44 0.00 1.76 1.73 0.00 1.84 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.46 7.81 99 N 8.60 4.11 0.00 2.82 2.91 0.00 0.00 7.08 8.82 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 0.00 100 G 7.34 3.52 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 0.00 101 E 7.81 5.01 0.00 1.89 2.02 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 2.28 2.29 0.00 102 T 8.95 5.56 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 1.32 0.00 0.00 103 E 8.78 4.68 0.00 2.01 1.81 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 0.00 2.27 2.24 0.00 104 L 8.83 4.67 0.00 1.33 1.34 -0.36 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 105 C 8.28 4.57 0.00 2.96 2.73 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 0.00 106 M 9.06 4.33 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.67 0.00 107 E 8.71 4.34 0.00 2.03 1.74 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 2.14 2.18 0.00 108 G 8.46 4.48 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 0.00 0.00 0.00 109 R 9.34 4.75 0.00 1.88 2.01 0.00 2.77 0.00 0.00 3.19 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 110 G 8.31 3.52 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 0.00 111 I 7.81 3.96 1.92 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 1.04 1.09 0.00 0.00 112 P 0.00 4.37 0.00 1.56 1.52 0.00 2.20 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.21 0.00 113 A 8.77 3.95 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 0.00 114 P 0.00 4.50 0.00 1.96 2.10 0.00 3.49 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.13 0.00 115 E 7.31 4.68 0.00 2.11 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 2.20 2.36 0.00 116 E 8.27 3.88 0.00 2.10 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 0.00 2.31 2.33 0.00 117 E 8.21 3.87 0.00 2.09 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 2.42 2.42 0.00 118 R 8.22 4.00 0.00 2.02 2.33 0.00 3.30 0.00 0.00 3.58 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.82 0.00 119 T 8.70 4.30 4.56 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 1.01 0.00 0.00 120 R 8.35 3.87 0.00 1.81 1.90 0.00 2.96 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.44 0.00 121 Q 8.58 4.16 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.20 0.00 0.00 0.00 0.00 0.00 2.53 2.57 0.00 122 G 8.17 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 0.00 123 W 7.63 3.93 0.00 3.19 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 0.00 124 Q 7.72 3.56 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.47 0.00 0.00 0.00 0.00 0.00 1.69 2.14 0.00 125 R 7.71 3.95 0.00 1.13 1.84 0.00 3.09 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 126 Y 7.25 4.96 0.00 3.19 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 0.00 127 Y 8.27 3.74 0.00 2.73 2.74 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 0.00 128 F 7.90 5.00 0.00 3.16 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 0.00 129 E 8.75 4.07 0.00 2.27 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 2.49 2.56 0.00 130 G 7.80 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 0.00 131 I 7.34 3.91 2.06 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 -0.31 0.65 0.00 0.00 132 K 8.47 4.19 0.00 1.96 1.94 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.55 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.42 1.43 7.81 133 Q 7.75 4.14 0.00 2.34 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.69 0.00 134 T 8.44 3.99 4.67 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 0.00 0.00 0.00 1.24 0.00 0.00 135 F 8.84 4.10 0.00 1.69 1.82 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 0.00 136 G 7.58 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 0.00 137 Y 8.03 5.08 0.00 3.38 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 0.00 138 G 8.15 4.29 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 0.00 139 A 8.13 4.78 1.23 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 0.00 140 S 7.87 4.63 0.00 3.93 3.81 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 0.00 0.00 0.00 0.00 141 G 8.64 4.12 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 0.00 0.00 0.00 142 P 0.00 4.44 0.00 2.19 2.06 0.00 3.71 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 1.98 1.98 0.00 143 S 8.32 4.80 0.00 3.81 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 S 8.27 4.69 0.00 3.81 3.81 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 0.00 0.00 0.00 0.00 145 G 8.21 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 0.00 0.00 0.00