NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3405 8.2649 123.5820 52.4923 19.4167 176.4482 3 R 4.3488 7.7729 118.0321 54.9094 32.0688 174.9124 4 R 4.4298 8.1821 115.2174 57.7113 33.9041 178.6284 5 R 4.2832 7.4576 118.7468 55.9144 31.9025 176.5610 6 R 4.3080 8.3420 118.0718 55.4770 30.9611 176.0806 7 A 3.6148 8.0817 113.7660 53.0584 15.1372 176.5840 8 E 4.1324 8.1608 117.5404 56.3664 30.4686 177.8860 9 V 3.8246 7.9260 119.3380 62.5451 32.3438 175.8230 10 R 4.1490 8.2669 124.2557 55.8758 30.7081 176.1748 11 Q 4.2848 8.5017 121.8046 54.8889 29.4095 175.9763 12 L 4.4568 8.2680 123.3067 53.8200 43.3754 175.5044 13 Q 4.6166 8.1483 118.4185 53.2654 30.4011 174.2889 14 P 4.3912 0.0000 0.0000 62.6241 31.9072 175.3373 15 D 4.6108 8.3506 117.5535 54.3178 41.6464 176.6863 16 L 4.3085 8.6535 123.2155 55.8812 41.4143 176.9483 17 V 4.0350 9.2019 116.2653 64.2911 34.0218 176.0666 18 Y 4.0903 8.3871 121.1107 59.1045 38.5192 176.8643 19 G 4.2819 8.5882 106.4178 46.0784 0.0000 172.4680 20 D 4.9194 8.0020 118.6269 52.0865 43.2631 176.6926 21 V 3.7551 8.2882 121.9532 64.1191 31.8597 177.9379 22 L 3.9711 8.1413 119.5747 58.5585 41.6479 178.9036 23 V 3.3836 10.0107 118.0269 66.5371 31.3500 177.7673 24 T 3.6287 8.0711 114.0274 66.6608 68.3808 175.6432 25 A 3.9588 8.8259 122.4192 55.5244 18.3145 179.1692 26 F 4.0687 7.9779 117.2044 61.8507 38.9799 176.7981 27 I 3.5085 7.5308 118.8412 64.7145 36.9618 177.6408 28 N 4.4591 8.0309 116.6369 56.6732 38.3635 177.2582 29 K 4.1251 7.6678 116.7253 57.9179 32.0356 178.3298 30 I 3.9511 8.4071 119.9026 62.1777 38.4606 175.8186 31 M 3.8379 6.6790 116.0029 56.0230 32.6812 175.6217 32 R 4.5862 7.8497 120.2017 55.5444 32.6306 174.5686 33 D 4.4235 9.4217 117.7646 55.3803 38.3026 174.4075 34 G 3.9531 8.3981 103.6656 46.2931 0.0000 176.2610 35 K 4.2596 7.7044 121.0226 56.2030 29.5676 176.8731 36 K 4.3558 8.0862 119.2127 56.5065 32.6947 175.4711 37 N 4.7115 7.7685 114.5653 55.2497 40.3126 175.9853 38 L 3.8178 7.7797 120.8816 58.2694 42.2166 178.7175 39 A 3.8996 7.6710 119.4191 55.2499 18.1227 179.1846 40 A 3.7230 7.8733 117.1443 56.2111 18.5615 179.1552 41 R 4.0238 9.1333 116.8032 58.4067 29.8971 180.2137 42 I 3.6877 8.1428 119.1480 64.1029 37.4613 177.6860 43 F 4.1768 8.1847 121.7855 61.5390 39.1154 176.8701 44 Y 4.0480 8.5190 117.0965 61.2748 37.8483 177.5424 45 D 4.4243 8.3275 119.0584 57.6638 40.9366 178.8781 46 A 4.0648 8.6455 121.3864 55.1674 18.0806 179.4939 47 C 3.8845 7.4208 114.5420 62.8838 28.6112 176.0032 48 K 4.0734 8.4971 120.3208 59.6303 31.7014 179.3629 49 I 3.7932 7.8408 119.9792 64.0885 36.7616 177.2338 50 I 4.2989 7.3347 118.7785 61.8811 38.0904 176.7945 51 Q 4.6197 7.8000 117.8567 54.6515 30.8205 176.1706 52 E 4.2166 7.6040 117.7569 58.6047 30.2519 177.8901 53 K 4.1820 8.2823 115.8324 57.3335 31.7192 177.2191 54 T 4.5279 7.8817 114.6498 62.7876 72.8069 174.8721 55 G 3.6337 8.7086 113.8778 48.0056 0.0000 174.5846 56 Q 4.1444 7.9577 117.3137 55.8797 29.4017 176.8042 57 E 4.2745 8.5388 119.3086 55.4493 31.3246 176.5710 58 P 4.2360 0.0000 0.0000 66.0318 31.1279 177.9511 59 L 3.7815 8.0396 119.6318 58.5198 41.7791 178.2012 60 K 3.8092 8.2440 118.3477 59.6982 32.1216 178.6456 61 V 3.4124 7.8471 117.9397 67.0145 31.4663 177.1824 62 F 4.3116 8.8906 120.6209 59.7573 39.0862 177.0617 63 K 3.7152 8.7755 117.6736 59.6103 32.3690 178.4728 64 Q 3.8475 8.9576 120.1363 59.7654 28.8140 177.5055 65 A 3.7930 8.4787 119.4986 55.8520 18.4826 179.9189 66 V 3.1971 7.5870 113.3128 65.3969 32.0724 178.1009 67 E 3.7521 8.0886 118.0830 59.9562 29.3962 179.1373 68 N 4.2964 8.1707 115.8315 55.7152 38.7027 176.5849 69 V 4.4439 7.5355 117.2405 61.6116 31.8276 175.7312 70 K 4.2531 7.9213 118.3218 55.4107 31.3403 174.8180 71 P 4.5622 0.0000 0.0000 62.3230 32.0337 176.7802 72 R 4.2849 8.7520 118.9976 57.5026 30.2302 176.3771 73 M 5.0857 7.8459 117.8096 53.6431 35.8525 174.0178 74 E 4.8684 9.4192 120.7635 54.6409 33.9017 174.3449 75 V 4.6882 8.3173 118.7049 61.3857 34.2496 175.5790 76 R 4.4090 8.3978 124.5702 54.3740 32.6523 174.8474 77 S 4.5119 8.7068 119.0426 59.1559 63.5890 173.5772 78 R 4.3649 8.4610 120.1276 55.3902 34.0905 173.8921 79 R 4.1875 8.6072 125.8541 56.0503 29.5354 176.4708 80 V 3.6457 8.4367 126.0287 61.4257 32.9345 175.6732 81 G 3.8914 8.9983 114.9050 46.1238 0.0000 172.1808 82 G 3.6140 6.6755 113.4325 44.9703 0.0000 174.6902 83 A 4.5335 7.4392 121.0324 49.7088 22.3581 176.3248 84 N 5.4820 8.0503 117.6356 51.3045 36.6171 174.7893 85 Y 4.1388 7.2879 119.0213 58.2075 39.6547 176.9123 86 Q 4.8431 8.3276 123.2932 54.7897 27.1159 174.5941 87 V 4.0828 8.1976 119.9574 62.1867 32.1033 173.5673 88 P 4.6943 0.0000 0.0000 62.9660 31.8611 175.3420 89 M 4.2985 8.3917 114.8779 54.7777 34.6631 174.8743 90 E 4.4569 8.8821 119.7160 56.9634 30.6208 176.2749 91 V 4.3652 8.0333 119.5379 61.4249 33.8465 175.4039 92 S 4.2432 8.9416 123.0659 57.7163 63.2352 172.7935 93 P 4.2612 0.0000 0.0000 65.6084 31.8683 178.2713 94 R 3.7739 8.0774 119.7549 58.8454 30.1302 178.2033 95 R 3.8284 7.9010 115.9766 60.3574 30.0222 177.4846 96 Q 3.7481 8.4109 116.0816 58.5797 28.4886 179.5224 97 Q 3.8772 7.4682 119.1321 59.0877 30.5447 179.6191 98 S 4.0286 8.1260 115.9255 62.0152 63.0357 177.2443 99 L 3.1522 8.6512 122.0551 57.6997 41.0885 178.5974 100 A 4.1192 7.7731 120.2180 54.4594 18.2140 179.1001 101 L 4.2294 8.2772 115.5030 58.1231 41.9675 179.8288 102 R 3.8058 7.7341 117.8164 59.3738 29.7596 178.3080 103 W 4.3986 8.5463 118.7415 60.0513 29.0446 178.3530 104 L 4.5549 9.1308 119.7707 58.1200 41.1539 179.6995 105 V 3.4899 8.2805 117.8629 66.5210 31.2139 177.7307 106 Q 4.0333 8.9483 118.0331 58.5764 28.7526 177.9940 107 A 4.1549 9.5349 122.1599 55.9880 18.5095 179.0779 108 A 4.1626 8.9490 119.0348 56.0533 18.2997 179.2108 109 N 4.3528 8.4176 113.9514 55.4255 38.8995 176.8484 110 Q 4.2275 8.7733 120.4064 57.0216 29.4214 176.5681 111 R 4.0530 7.4965 118.5824 56.1452 30.6653 174.4914 112 P 4.6198 0.0000 0.0000 62.9140 31.6789 176.0245 113 E 4.1105 7.9592 119.6189 56.4853 29.8996 176.8191 114 R 4.0557 8.8449 123.4583 59.1834 30.2991 177.4816 115 R 4.2946 7.7644 116.1167 55.1407 31.6169 177.0862 116 A 3.9891 8.7684 124.3667 55.4875 18.4913 179.8321 117 A 4.0184 8.1582 118.6503 55.9773 18.1251 179.0022 118 V 3.5789 7.8647 117.0912 64.9808 31.5144 178.4668 119 R 3.8841 7.6285 116.8159 59.3428 30.2586 178.5900 120 I 3.8020 7.7341 118.7171 64.5322 37.3051 177.9206 121 A 4.0339 7.7294 120.9733 56.0805 18.0557 179.5469 122 H 4.2739 8.6099 114.1904 58.7722 28.8380 177.6219 123 E 4.2094 8.9052 121.4384 58.7000 29.4035 178.6366 124 L 4.1572 8.2565 119.6562 58.4909 41.6789 177.9824 125 M 4.3072 8.4475 119.2776 56.3182 31.6895 178.1622 126 D 4.4317 8.0137 117.7548 58.5268 41.4496 178.5110 127 A 3.9832 8.2309 119.5727 55.4339 17.9234 178.9701 128 A 3.6990 8.0127 119.7413 55.1642 18.8369 179.1452 129 E 4.2321 8.3665 113.6806 56.3833 29.4841 177.9942 130 G 3.8867 8.9276 108.4049 45.5333 0.0000 173.1991 131 K 4.5715 8.6007 118.8314 54.5045 35.2576 176.3570 132 G 4.0246 8.6302 103.5638 45.8634 0.0000 174.7848 133 G 3.7739 8.5886 106.3591 46.3476 0.0000 175.9242 134 A 4.0976 8.1147 123.5246 55.3480 18.6364 179.9402 135 V 3.6353 7.7769 115.8895 65.5414 31.2650 177.6965 136 K 3.7984 7.5286 118.4982 59.4391 31.8030 178.2628 137 K 3.4551 7.3136 117.3296 59.4549 31.8063 178.6373 138 K 4.0027 7.2126 118.2104 60.0355 31.8472 178.4644 139 E 3.9689 8.0981 117.2833 59.3962 29.5506 178.7528 140 D 4.4203 9.4829 119.0735 57.0871 40.5610 178.9256 141 V 3.5554 8.6512 119.8737 66.1315 31.7153 177.9180 142 E 4.1221 7.9264 118.2356 59.0422 29.1150 178.7201 143 R 4.2848 7.3255 116.0358 56.8801 30.3169 177.7641 144 M 4.2473 9.4378 119.7477 57.5581 32.5087 176.7240 145 A 4.4170 7.2904 117.2902 52.1207 20.8174 178.4326 146 E 3.7219 8.7460 116.5697 57.8777 28.6847 175.7409 147 A 4.5394 9.4350 118.5200 52.4605 19.7781 177.0571 148 N 5.0693 7.7645 111.3061 52.6832 40.5067 176.7204 149 R 4.1811 8.0617 116.2481 56.6006 29.4066 177.1348 150 A 4.1373 9.2344 121.4747 53.3838 19.7479 178.6474 151 Y 4.2061 7.4070 111.6467 57.9451 37.8952 176.9201 152 A 4.2679 7.9761 123.4900 54.2701 18.4450 178.6956 153 H 4.9209 7.9072 110.7009 55.5649 28.8765 175.3806 154 Y 4.8127 7.8530 116.7285 58.2367 39.1575 181.2736 155 R 3.2374 8.2008 114.2822 53.0082 32.3371 175.8945 156 W 3.8588 7.5264 135.0000 57.9149 32.3934 174.1976 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 2 A 8.26 4.34 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 3 R 7.77 4.35 0.00 1.86 1.95 0.00 3.17 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 4 R 8.18 4.43 0.00 1.76 1.86 0.00 3.20 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 5 R 7.46 4.28 0.00 1.80 1.95 0.00 3.14 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 6 R 8.34 4.31 0.00 1.71 1.85 0.00 3.38 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 7 A 8.08 3.61 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.16 4.13 0.00 2.06 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 2.27 2.36 0.00 9 V 7.93 3.82 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 0.91 0.00 0.00 10 R 8.27 4.15 0.00 1.83 1.83 0.00 3.23 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 11 Q 8.50 4.28 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.93 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 12 L 8.27 4.46 0.00 1.61 1.62 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.15 4.62 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.95 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 14 P 0.00 4.39 0.00 2.20 2.13 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 15 D 8.35 4.61 0.00 3.04 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 16 L 8.65 4.31 0.00 1.81 1.75 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17 V 9.20 4.03 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.26 0.00 0.00 18 Y 8.39 4.09 0.00 3.08 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 19 G 8.59 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 0.00 0.00 0.00 0.00 20 D 8.00 4.92 0.00 2.82 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 21 V 8.29 3.76 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 1.09 0.00 0.00 0.95 0.00 0.00 22 L 8.14 3.97 0.00 1.77 2.16 0.90 0.69 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 23 V 10.01 3.38 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 0.61 0.00 0.00 0.94 0.00 0.00 24 T 8.07 3.63 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 25 A 8.83 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.98 4.07 0.00 3.27 3.08 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 27 I 7.53 3.51 1.81 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.59 0.76 0.00 0.00 28 N 8.03 4.46 0.00 2.81 2.84 0.00 0.00 7.16 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.67 4.13 0.00 1.69 1.66 0.00 1.61 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.55 7.81 30 I 8.41 3.95 1.80 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.23 0.81 0.00 0.00 31 M 6.68 3.84 0.00 2.09 1.95 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.48 0.00 32 R 7.85 4.59 0.00 1.94 1.91 0.00 3.15 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 33 D 9.42 4.42 0.00 2.83 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 34 G 8.40 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 35 K 7.70 4.26 0.00 1.82 1.77 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.67 7.81 36 K 8.09 4.36 0.00 1.85 1.78 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.40 7.81 37 N 7.77 4.71 0.00 2.78 2.75 0.00 0.00 6.70 6.66 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 38 L 7.78 3.82 0.00 1.79 1.82 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.67 3.90 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 40 A 7.87 3.72 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.13 4.02 0.00 2.07 2.19 0.00 3.19 0.00 0.00 3.20 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 42 I 8.14 3.69 2.01 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 1.41 1.07 0.96 0.00 0.00 43 F 8.18 4.18 0.00 2.99 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 8.52 4.05 0.00 3.17 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.33 4.42 0.00 2.70 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 46 A 8.65 4.06 1.46 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 47 C 7.42 3.88 0.00 3.05 2.94 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 48 K 8.50 4.07 0.00 1.94 1.86 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.62 1.64 7.81 49 I 7.84 3.79 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 1.52 1.28 0.93 0.00 0.00 50 I 7.33 4.30 1.94 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 1.55 0.77 0.93 0.00 0.00 51 Q 7.80 4.62 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.79 6.95 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 52 E 7.60 4.22 0.00 2.18 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 2.37 2.45 0.00 53 K 8.28 4.18 0.00 1.81 1.85 0.00 1.83 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.43 7.81 54 T 7.88 4.53 4.39 0.00 0.00 0.00 0.00 0.00 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 55 G 8.71 3.63 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 0.00 0.00 0.00 56 Q 7.96 4.14 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.89 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 57 E 8.54 4.27 0.00 2.06 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 2.45 2.40 0.00 58 P 0.00 4.24 0.00 2.11 2.45 0.00 3.79 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 2.06 0.00 59 L 8.04 3.78 0.00 1.68 1.76 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.24 3.81 0.00 1.90 1.78 0.00 1.84 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.54 7.81 61 V 7.85 3.41 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.07 0.00 0.00 62 F 8.89 4.31 0.00 3.13 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 63 K 8.78 3.72 0.00 1.92 1.80 0.00 1.76 0.00 0.00 1.59 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.82 7.81 64 Q 8.96 3.85 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.64 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 65 A 8.48 3.79 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.59 3.20 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 0.89 0.00 0.00 0.28 0.00 0.00 67 E 8.09 3.75 0.00 2.16 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 0.00 2.29 2.42 0.00 68 N 8.17 4.30 0.00 2.82 2.88 0.00 0.00 7.05 7.03 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 69 V 7.54 4.44 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.00 0.00 0.00 70 K 7.92 4.25 0.00 1.86 2.17 0.00 1.91 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.44 1.52 7.81 71 P 0.00 4.56 0.00 2.34 2.30 0.00 3.86 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.52 0.00 72 R 8.75 4.28 0.00 1.97 2.11 0.00 3.02 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.62 0.00 73 M 7.85 5.09 0.00 1.88 1.97 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 74 E 9.42 4.87 0.00 2.02 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 2.32 2.17 0.00 75 V 8.32 4.69 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 0.95 0.00 0.00 0.99 0.00 0.00 76 R 8.40 4.41 0.00 1.12 1.03 0.00 2.50 0.00 0.00 2.27 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.30 0.00 77 S 8.71 4.51 0.00 3.95 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 78 R 8.46 4.36 0.00 1.78 1.67 0.00 2.21 0.00 0.00 2.67 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.00 0.00 79 R 8.61 4.19 0.00 1.56 1.70 0.00 3.27 0.00 0.00 3.01 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.48 0.00 80 V 8.44 3.65 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 0.33 0.00 0.00 0.25 0.00 0.00 81 G 9.00 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 82 G 6.68 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.44 4.53 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.05 5.48 0.00 2.63 2.79 0.00 0.00 7.30 7.46 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 85 Y 7.29 4.14 0.00 2.85 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 0.00 0.00 0.00 0.00 86 Q 8.33 4.84 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.21 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 87 V 8.20 4.08 2.81 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 1.37 0.00 0.00 1.36 0.00 0.00 88 P 0.00 4.69 0.00 2.28 2.15 0.00 4.09 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 89 M 8.39 4.30 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.49 0.00 90 E 8.88 4.46 0.00 1.88 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 2.33 2.34 0.00 91 V 8.03 4.37 2.17 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 0.85 0.00 0.00 0.98 0.00 0.00 92 S 8.94 4.24 0.00 3.98 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 93 P 0.00 4.26 0.00 2.22 2.29 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.93 0.00 94 R 8.08 3.77 0.00 1.87 1.97 0.00 3.20 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 95 R 7.90 3.83 0.00 1.79 1.89 0.00 3.25 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 96 Q 8.41 3.75 0.00 2.33 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.27 0.00 0.00 0.00 0.00 0.00 2.57 2.62 0.00 97 Q 7.47 3.88 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 98 S 8.13 4.03 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 99 L 8.65 3.15 0.00 1.18 0.13 0.80 0.06 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 0.00 100 A 7.77 4.12 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.28 4.23 0.00 1.72 1.95 0.93 0.89 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 0.00 102 R 7.73 3.81 0.00 1.82 1.66 0.00 2.89 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 103 W 8.55 4.40 0.00 3.65 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 0.00 104 L 9.13 4.55 0.00 2.22 2.03 0.92 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.28 3.49 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 0.47 0.00 0.00 106 Q 8.95 4.03 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.65 0.00 0.00 0.00 0.00 0.00 2.46 2.59 0.00 107 A 9.53 4.15 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 0.00 108 A 8.95 4.16 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 109 N 8.42 4.35 0.00 2.86 2.92 0.00 0.00 7.20 7.20 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 0.00 110 Q 8.77 4.23 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.82 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 111 R 7.50 4.05 0.00 1.79 2.21 0.00 3.30 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.97 0.00 112 P 0.00 4.62 0.00 2.19 2.15 0.00 3.79 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 1.98 1.99 0.00 113 E 7.96 4.11 0.00 1.97 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 2.33 2.27 0.00 114 R 8.84 4.06 0.00 1.80 2.01 0.00 3.20 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 115 R 7.76 4.29 0.00 1.86 1.83 0.00 3.13 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 116 A 8.77 3.99 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 0.00 117 A 8.16 4.02 1.34 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 0.00 0.00 118 V 7.86 3.58 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 0.92 0.00 0.00 0.90 0.00 0.00 119 R 7.63 3.88 0.00 2.08 2.18 0.00 3.46 0.00 0.00 3.51 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.97 0.00 120 I 7.73 3.80 2.13 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.99 1.30 0.00 0.00 121 A 7.73 4.03 1.50 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 0.00 0.00 122 H 8.61 4.27 0.00 3.21 3.37 0.00 5.63 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.91 4.21 0.00 2.23 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 2.64 2.48 0.00 124 L 8.26 4.16 0.00 2.09 1.78 1.03 1.33 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 0.00 125 M 8.45 4.31 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.59 0.00 126 D 8.01 4.43 0.00 2.83 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 8.23 3.98 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 0.00 128 A 8.01 3.70 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 0.00 129 E 8.37 4.23 0.00 1.96 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 2.50 2.46 0.00 130 G 8.93 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 0.00 131 K 8.60 4.57 0.00 1.77 1.81 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.34 7.81 132 G 8.63 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 0.00 133 G 8.59 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 0.00 134 A 8.11 4.10 1.48 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 0.00 135 V 7.78 3.64 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 1.14 0.00 0.00 0.98 0.00 0.00 136 K 7.53 3.80 0.00 1.85 1.88 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.56 1.43 7.81 137 K 7.31 3.46 0.00 1.26 0.74 0.00 1.25 0.00 0.00 0.61 0.00 0.00 2.78 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.94 1.12 7.81 138 K 7.21 4.00 0.00 1.96 1.96 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.13 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.52 1.80 7.81 139 E 8.10 3.97 0.00 2.05 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 2.32 2.48 0.00 140 D 9.48 4.42 0.00 2.83 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 0.00 141 V 8.65 3.56 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 1.12 0.00 0.00 0.82 0.00 0.00 142 E 7.93 4.12 0.00 1.99 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 2.52 2.57 0.00 143 R 7.33 4.28 0.00 1.86 1.95 0.00 3.19 0.00 0.00 3.20 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 144 M 9.44 4.25 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.68 0.00 145 A 7.29 4.42 1.34 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 0.00 0.00 146 E 8.75 3.72 0.00 2.35 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 2.23 2.23 0.00 147 A 9.43 4.54 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 0.00 148 N 7.76 5.07 0.00 2.71 3.14 0.00 0.00 6.49 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 R 8.06 4.18 0.00 1.75 1.90 0.00 3.37 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 150 A 9.23 4.14 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.41 4.21 0.00 3.06 2.49 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 0.00 0.00 0.00 0.00 152 A 7.98 4.27 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 0.00 153 H 7.91 4.92 0.00 3.31 3.33 0.00 5.47 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Y 7.85 4.81 0.00 3.21 2.86 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 0.00 0.00 0.00 155 R 8.20 3.24 0.00 2.04 2.08 0.00 3.38 0.00 0.00 3.25 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.77 0.00 156 W 7.53 3.86 0.00 3.51 3.32 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