NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6319 8.4249 119.1997 53.5783 40.0462 174.0309 3 C 4.6018 8.1452 120.4199 53.3878 45.2165 171.4801 4 P 4.1841 0.0000 0.0000 62.4183 32.1352 177.6431 5 L 4.0144 8.5034 121.9255 57.2035 41.6739 177.7784 6 D 4.8809 8.1467 116.3951 52.5922 39.5809 175.3952 7 W 4.4358 8.0065 118.6779 55.1651 32.6711 174.9485 8 L 4.1966 8.7316 123.8792 53.1790 42.4781 173.7702 9 P 4.9085 0.0000 0.0000 62.4656 32.3498 176.2684 10 M 4.3337 10.0054 124.8710 55.4941 34.9979 174.3260 11 N 4.0185 9.9610 126.5652 54.3342 36.1189 175.0491 12 G 3.9940 8.2351 104.9068 44.9750 0.0000 171.8285 13 L 4.8510 7.9892 118.8230 52.9960 46.0263 174.4801 14 C 5.6564 8.7075 116.6505 55.6627 38.5993 173.3323 15 Y 5.4560 9.1294 120.4345 56.4742 41.8890 174.6716 16 K 4.4016 8.4103 121.7453 55.1915 35.9302 174.5911 17 I 4.4039 8.1892 121.7735 60.2057 39.0853 175.0544 18 F 4.3346 8.7230 123.8459 55.7137 41.0344 176.2119 19 N 4.5857 8.7627 119.5865 54.3366 39.1080 175.5900 20 Q 4.2255 7.8627 118.4396 56.0947 30.1296 175.2068 21 L 4.9855 8.5090 123.0626 53.9479 42.9791 176.0306 22 K 4.9336 9.2718 122.5993 54.7900 37.3941 175.9528 23 T 5.6960 8.3632 110.4335 60.2412 70.2823 175.4511 24 W 2.5438 8.3093 132.1161 60.2542 30.3346 177.5753 25 E 3.7953 8.3095 118.3638 59.7340 28.9329 178.5255 26 D 4.3001 7.8918 117.6574 56.7467 40.7419 178.7177 27 A 2.8381 7.6192 121.9803 54.5098 18.3067 179.0719 28 E 3.5161 7.3443 117.6986 59.7498 29.5782 178.9248 29 M 3.9888 7.6662 118.5270 58.3588 31.7582 178.6342 30 F 3.8960 8.0111 120.0428 61.2635 39.8098 176.3538 31 C 4.5555 8.3482 116.2725 60.2720 39.8704 176.2453 32 R 3.9667 8.1194 119.7797 58.0981 29.7103 178.3244 33 K 4.2357 7.7891 115.4356 56.7162 32.4867 177.7034 34 Y 3.8282 7.6098 121.2117 59.2581 39.5003 175.5927 35 K 4.2075 7.0148 115.1046 54.9517 34.7195 172.3097 36 P 4.0232 0.0000 0.0000 64.3997 31.4818 176.3476 37 G 3.9614 8.9967 110.2388 45.0927 0.0000 173.0091 38 C 5.3520 7.5632 115.9496 55.8783 41.1887 172.4917 39 H 4.8407 8.9437 117.6143 54.5507 33.7069 172.8385 40 L 4.7207 9.9657 120.6702 54.6878 42.2095 177.7956 41 A 4.5110 9.3247 124.6044 52.2859 19.5676 176.9538 42 S 3.3218 8.7221 114.3475 55.6761 65.5871 173.7004 43 F 4.7767 6.7615 119.2840 56.3673 41.7469 175.0443 44 H 5.0770 9.3592 118.3497 54.4789 31.4154 173.9402 45 R 4.2599 6.9460 115.5620 53.4094 33.4139 174.8682 46 Y 4.6663 8.1072 122.2235 60.5070 38.7069 178.7851 47 G 3.6458 8.2112 105.9026 47.9922 0.0000 175.2932 48 E 3.8708 7.9907 120.2526 59.0817 29.4856 179.4417 49 S 4.4997 7.9845 115.3464 61.6383 62.8994 176.7426 50 L 3.8881 7.6620 121.5689 57.6806 41.3069 179.1310 51 E 3.9036 8.3619 119.4974 59.3485 29.6046 178.9502 52 I 3.7343 8.3065 119.8369 64.3851 37.2653 178.0581 53 A 4.1675 8.5326 122.0636 55.5113 18.2986 179.3791 54 E 3.9752 8.5062 117.7211 59.4195 29.6964 178.3285 55 Y 4.3239 8.2668 119.8601 60.9341 38.9024 178.1999 56 I 3.1436 8.2076 121.0650 64.1462 36.8393 178.5324 57 S 4.2638 7.9345 115.2640 61.6768 62.7141 176.0290 58 D 4.4335 7.8779 119.9679 56.2698 40.9559 177.4730 59 Y 4.4773 7.6915 114.4192 57.0266 38.8809 175.3004 60 H 4.3552 7.7046 120.1469 55.7414 29.7329 176.1105 61 K 4.2575 8.4493 131.2866 53.4096 30.6982 177.2798 62 G 3.8733 6.7198 108.7325 46.4452 0.0000 172.0977 63 Q 4.5547 8.7100 121.2005 56.6190 32.4022 175.1670 64 E 4.3223 8.1566 116.3681 56.5897 30.6363 175.6144 65 N 4.9518 8.2746 117.1891 53.0241 40.4431 174.3996 66 V 4.8338 8.3105 120.2834 60.7628 33.8923 175.2686 67 W 5.2246 9.4637 128.7343 57.3464 30.3563 175.0591 68 I 4.9877 9.2998 115.3720 59.1442 41.4068 175.7007 69 G 4.4266 9.8319 106.7411 47.3138 0.0000 172.6299 70 L 4.7758 8.2379 124.3374 53.9158 43.4077 175.5376 71 R 4.8864 8.8645 125.2159 55.1398 34.1755 173.3312 72 D 4.6834 8.9952 125.2018 51.7727 39.3489 176.2298 73 K 3.5759 8.1954 123.4401 59.0525 32.3479 177.4909 74 K 4.0723 7.7902 115.1048 55.5356 32.1025 176.8976 75 K 3.6864 7.5196 117.7567 57.0385 30.0179 174.5237 76 D 4.6471 6.8326 114.2494 53.1446 39.7800 174.8497 77 F 3.3876 8.5464 115.1860 60.1674 36.8726 176.6505 78 S 4.6858 7.3520 115.1723 56.1002 62.1569 172.3772 79 W 4.6014 8.1681 126.4681 57.4511 30.1162 175.2311 80 E 4.8505 9.1352 123.5296 54.2573 33.1367 175.2699 81 W 5.2881 8.8196 123.1142 56.5926 30.2334 177.6090 82 T 4.2628 9.3997 114.7324 64.2704 68.7919 174.9839 83 D 4.1491 8.3963 119.6643 52.8253 39.5754 176.4668 84 R 3.9789 8.0569 116.8573 57.2605 28.2531 176.4483 85 S 4.5700 8.8313 113.1680 57.5962 63.9740 173.7067 86 C 4.5720 8.4549 118.6824 60.3836 28.6510 175.1365 87 T 4.8116 8.5417 121.6784 62.5587 66.5206 174.1968 88 D 5.0495 8.4384 118.6153 52.8340 40.6606 176.6475 89 Y 4.8239 7.9381 121.3336 56.7985 41.6181 173.2996 90 L 3.9917 7.7744 126.2563 53.0318 45.7713 176.7807 91 T 3.8230 5.7900 115.9202 59.5027 66.9765 172.5501 92 W 4.7611 7.0625 122.8025 56.3711 30.6571 176.6580 93 D 4.6522 9.5294 123.9888 53.2532 42.6911 174.9596 94 K 3.9925 8.4294 122.1193 57.3990 32.4106 176.1068 95 N 4.3059 8.9697 122.8560 53.9828 35.9003 173.6449 96 Q 4.5447 7.5156 115.7706 53.0287 32.0926 173.7329 97 P 4.2633 0.0000 0.0000 62.4713 32.0549 175.7991 98 D 4.8634 8.7915 116.0541 52.2128 40.8843 175.0322 99 H 4.2720 9.9003 117.4380 55.1127 27.2343 173.9727 100 Y 4.3146 8.5123 117.7213 59.7650 38.9148 175.8535 101 Q 2.9516 8.9962 123.4601 55.9539 26.5894 172.7609 102 N 4.2196 8.5469 113.6650 54.8625 37.8786 174.6888 103 K 4.2470 7.7361 113.1595 55.0705 34.6379 175.9805 104 E 4.3483 7.2716 119.4611 55.1894 29.6773 175.7070 105 F 5.3483 8.3160 120.2675 56.9217 42.0631 174.9456 106 C 4.9073 8.5388 116.9433 54.9396 41.4993 173.1360 107 V 5.2351 8.7050 122.8030 61.6257 33.5991 174.4249 108 E 5.4571 9.1013 123.5412 54.7224 33.7526 174.2341 109 L 4.8319 9.6967 122.3753 54.3289 43.4447 176.2643 110 V 4.1026 8.9657 125.3100 62.4093 32.0056 176.3096 111 S 2.7900 9.6305 124.2666 61.1281 62.2209 176.5602 112 L 3.8519 7.7006 117.8141 57.2840 41.3802 177.7961 113 T 4.2079 7.8694 107.9965 60.9791 68.9559 175.4884 114 G 3.5736 8.0309 109.8686 46.9225 0.0000 173.5358 115 Y 3.7449 7.4629 113.2233 58.8781 35.3332 171.2079 116 R 4.4250 7.6777 119.1515 56.8196 31.4474 176.7082 117 L 4.8641 8.0014 116.9677 52.7269 44.9893 176.0800 118 W 5.5424 8.6486 121.3041 55.7131 32.2173 174.7701 119 N 5.5741 8.9540 119.2813 52.2838 42.1728 173.2681 120 D 5.3281 8.8325 125.3545 53.5068 41.0475 174.9733 121 Q 4.7192 9.8502 121.9481 54.2844 33.8743 173.9852 122 V 4.2278 9.0143 122.2604 62.5289 31.9670 176.5226 123 C 4.3473 8.9702 124.8028 59.6915 40.2687 174.9449 124 E 4.2358 8.2164 116.9529 57.3058 29.8026 176.9430 125 S 4.5428 8.4796 116.3040 58.5797 64.4015 173.2846 126 K 5.1239 8.6223 121.8982 55.3655 33.3087 175.4390 127 D 4.8794 9.1614 123.7860 52.1786 46.0360 174.8420 128 A 5.2900 8.7095 122.1087 51.0960 20.3924 176.2623 129 F 5.3285 8.5557 112.8027 55.4441 42.1529 173.6425 130 L 4.9892 8.6999 122.7938 53.9411 43.6844 175.1135 131 C 5.3637 9.3471 124.8271 56.3539 42.0617 172.8235 132 Q 4.7195 9.3130 121.6173 54.9350 31.9277 173.1481 133 C 5.3724 9.5987 123.2012 55.0344 44.8873 172.8453 134 K 4.8600 7.6503 119.4795 54.6209 33.8863 176.8264 135 F 4.1223 8.6436 121.8842 57.5461 39.2683 175.4223 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 N 8.42 4.63 0.00 2.66 2.73 0.00 0.00 6.78 6.77 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 3 C 8.15 4.60 0.00 2.92 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 4 P 0.00 4.18 0.00 1.72 1.66 0.00 2.26 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.94 0.00 5 L 8.50 4.01 0.00 1.60 1.75 0.87 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 6 D 8.15 4.88 0.00 2.77 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 W 8.01 4.44 0.00 3.11 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 8 L 8.73 4.20 0.00 0.67 1.22 0.68 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.91 0.00 1.96 1.96 0.00 3.66 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 1.98 2.04 0.00 10 M 10.01 4.33 0.00 1.94 1.77 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 11 N 9.96 4.02 0.00 2.84 2.79 0.00 0.00 7.31 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 12 G 8.24 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.99 4.85 0.00 1.68 1.15 0.85 0.70 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 14 C 8.71 5.66 0.00 3.14 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 15 Y 9.13 5.46 0.00 2.71 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 16 K 8.41 4.40 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.24 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.30 0.48 7.81 17 I 8.19 4.40 1.52 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 -0.05 0.68 0.00 0.00 18 F 8.72 4.33 0.00 1.51 2.30 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 19 N 8.76 4.59 0.00 2.67 2.83 0.00 0.00 7.08 7.69 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 20 Q 7.86 4.23 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.98 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 21 L 8.51 4.99 0.00 1.59 1.68 0.96 0.90 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 22 K 9.27 4.93 0.00 1.52 1.57 0.00 0.86 0.00 0.00 1.47 0.00 0.00 2.57 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.32 1.39 7.81 23 T 8.36 5.70 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 24 W 8.31 2.54 0.00 1.78 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 25 E 8.31 3.80 0.00 2.21 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 2.35 2.45 0.00 26 D 7.89 4.30 0.00 2.76 2.61 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 27 A 7.62 2.84 0.92 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 28 E 7.34 3.52 0.00 1.43 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 1.47 1.98 0.00 29 M 7.67 3.99 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.76 0.00 30 F 8.01 3.90 0.00 2.92 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 31 C 8.35 4.56 0.00 3.18 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 32 R 8.12 3.97 0.00 1.76 1.90 0.00 3.18 0.00 0.00 2.91 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 33 K 7.79 4.24 0.00 1.52 1.69 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.48 7.81 34 Y 7.61 3.83 0.00 2.89 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 35 K 7.01 4.21 0.00 1.81 1.88 0.00 1.32 0.00 0.00 1.02 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.01 1.06 7.81 36 P 0.00 4.02 0.00 2.11 2.03 0.00 3.62 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.89 0.00 37 G 9.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 C 7.56 5.35 0.00 3.08 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 H 8.94 4.84 0.00 3.09 3.32 0.00 5.81 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 9.97 4.72 0.00 1.57 1.76 0.19 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 41 A 9.32 4.51 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 42 S 8.72 3.32 0.00 2.72 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 43 F 6.76 4.78 0.00 3.59 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 44 H 9.36 5.08 0.00 3.02 3.28 0.00 5.66 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 6.95 4.26 0.00 1.90 1.88 0.00 2.95 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 46 Y 8.11 4.67 0.00 3.13 3.07 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 47 G 8.21 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 48 E 7.99 3.87 0.00 2.08 1.73 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 2.23 2.28 0.00 49 S 7.98 4.50 0.00 4.06 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 50 L 7.66 3.89 0.00 1.70 1.61 0.62 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.36 3.90 0.00 2.08 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 2.18 2.32 0.00 52 I 8.31 3.73 2.27 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.12 1.18 0.00 0.00 53 A 8.53 4.17 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 0.00 0.00 0.00 0.00 0.00 54 E 8.51 3.98 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.36 0.00 55 Y 8.27 4.32 0.00 2.94 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 56 I 8.21 3.14 1.44 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 1.12 0.79 -0.30 0.00 0.00 57 S 7.93 4.26 0.00 4.06 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 58 D 7.88 4.43 0.00 2.76 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 59 Y 7.69 4.48 0.00 2.41 2.76 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 60 H 7.70 4.36 0.00 2.72 3.17 0.00 5.94 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.45 4.26 0.00 1.72 1.69 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.47 7.81 62 G 6.72 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 0.00 0.00 0.00 63 Q 8.71 4.55 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.89 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 64 E 8.16 4.32 0.00 2.05 1.88 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 2.32 2.40 0.00 65 N 8.27 4.95 0.00 2.66 2.78 0.00 0.00 6.22 7.68 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 66 V 8.31 4.83 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 1.05 0.00 0.00 0.66 0.00 0.00 67 W 9.46 5.22 0.00 3.46 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 9.30 4.99 2.45 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.09 1.21 0.00 0.00 69 G 9.83 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 0.00 0.00 0.00 0.00 70 L 8.24 4.78 0.00 0.48 1.13 -0.17 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.86 4.89 0.00 0.71 1.15 0.00 3.09 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.10 0.00 72 D 9.00 4.68 0.00 1.58 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 0.00 0.00 0.00 73 K 8.20 3.58 0.00 1.66 1.73 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.42 7.81 74 K 7.79 4.07 0.00 1.73 1.72 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.34 7.81 75 K 7.52 3.69 0.00 1.29 0.96 0.00 1.10 0.00 0.00 0.68 0.00 0.00 2.24 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.30 0.74 7.81 76 D 6.83 4.65 0.00 2.54 2.54 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 0.00 0.00 0.00 0.00 77 F 8.55 3.39 0.00 3.17 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 7.35 4.69 0.00 3.78 3.78 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 79 W 8.17 4.60 0.00 3.29 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 9.14 4.85 0.00 1.93 1.88 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 2.26 2.41 0.00 81 W 8.82 5.29 0.00 3.60 3.25 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 0.00 82 T 9.40 4.26 4.50 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 1.66 0.00 0.00 83 D 8.40 4.15 0.00 2.75 2.76 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 84 R 8.06 3.98 0.00 2.05 2.13 0.00 3.20 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 85 S 8.83 4.57 0.00 3.92 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 86 C 8.45 4.57 0.00 3.11 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 87 T 8.54 4.81 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 1.39 0.00 0.00 88 D 8.44 5.05 0.00 2.94 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 89 Y 7.94 4.82 0.00 3.18 3.24 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 90 L 7.77 3.99 0.00 1.36 0.80 1.17 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 91 T 5.79 3.82 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 -0.42 0.00 0.00 92 W 7.06 4.76 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 D 9.53 4.65 0.00 2.95 2.61 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 94 K 8.43 3.99 0.00 1.78 1.69 0.00 1.91 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.45 7.81 95 N 8.97 4.31 0.00 2.87 2.88 0.00 0.00 6.88 7.69 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 96 Q 7.52 4.54 0.00 2.09 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.96 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 97 P 0.00 4.26 0.00 2.19 0.49 0.00 2.83 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.31 0.00 98 D 8.79 4.86 0.00 2.85 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 99 H 9.90 4.27 0.00 3.29 3.28 0.00 5.68 0.00 0.00 0.00 0.00 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 8.51 4.31 0.00 3.29 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 0.00 101 Q 9.00 2.95 0.00 1.94 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.63 0.00 0.00 0.00 0.00 0.00 1.24 1.16 0.00 102 N 8.55 4.22 0.00 2.75 2.83 0.00 0.00 6.83 7.35 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 0.00 103 K 7.74 4.25 0.00 1.69 1.66 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.49 7.81 104 E 7.27 4.35 0.00 1.95 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 2.39 2.48 0.00 105 F 8.32 5.35 0.00 2.87 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 0.00 106 C 8.54 4.91 0.00 2.57 1.83 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.71 5.24 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 0.77 0.00 0.00 0.90 0.00 0.00 108 E 9.10 5.46 0.00 1.98 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.29 0.00 109 L 9.70 4.83 0.00 1.70 1.91 1.15 0.72 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 0.00 110 V 8.97 4.10 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 0.83 0.00 0.00 0.98 0.00 0.00 111 S 9.63 2.79 0.00 3.74 3.69 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 0.00 112 L 7.70 3.85 0.00 1.58 1.65 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 113 T 7.87 4.21 4.20 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 1.21 0.00 0.00 114 G 8.03 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Y 7.46 3.74 0.00 3.20 3.10 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 0.00 116 R 7.68 4.42 0.00 1.92 1.96 0.00 3.09 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.88 0.00 117 L 8.00 4.86 0.00 1.56 1.57 0.91 0.61 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 0.00 118 W 8.65 5.54 0.00 2.86 2.69 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 0.00 119 N 8.95 5.57 0.00 2.93 2.69 0.00 0.00 7.31 7.82 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 0.00 120 D 8.83 5.33 0.00 3.02 2.61 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 0.00 121 Q 9.85 4.72 0.00 2.20 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.02 0.00 0.00 0.00 0.00 0.00 2.33 2.61 0.00 122 V 9.01 4.23 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 1.16 0.00 0.00 0.99 0.00 0.00 123 C 8.97 4.35 0.00 3.07 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 0.00 124 E 8.22 4.24 0.00 2.06 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 2.38 2.33 0.00 125 S 8.48 4.54 0.00 4.10 3.84 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 0.00 126 K 8.62 5.12 0.00 1.69 1.84 0.00 1.87 0.00 0.00 1.81 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.47 7.81 127 D 9.16 4.88 0.00 1.58 2.31 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 0.00 128 A 8.71 5.29 1.25 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 0.00 0.00 0.00 129 F 8.56 5.33 0.00 3.25 3.33 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 0.00 130 L 8.70 4.99 0.00 2.00 1.79 1.12 1.21 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 0.00 131 C 9.35 5.36 0.00 3.20 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 0.00 132 Q 9.31 4.72 0.00 1.71 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.67 0.00 0.00 0.00 0.00 0.00 1.95 1.46 0.00 133 C 9.60 5.37 0.00 2.20 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 0.00 0.00 0.00 134 K 7.65 4.86 0.00 1.57 1.60 0.00 1.60 0.00 0.00 1.80 0.00 0.00 2.74 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.27 7.81 135 F 8.64 4.12 0.00 2.83 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