NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 N 4.6697 8.4093 118.2187 52.5509 38.5785 173.4319 14 L 4.4832 8.0865 120.0392 54.5295 42.3394 174.4143 15 L 4.4873 8.6505 121.0252 54.1627 43.5075 177.0696 16 Y 4.6302 8.3475 121.2099 57.4880 39.7266 174.5947 17 T 3.8289 6.9081 117.4415 60.8167 70.1479 173.6520 18 R 3.8226 8.1072 126.6846 57.5110 30.2188 175.9871 19 N 4.2762 7.5178 117.0586 53.7836 38.5449 174.6228 20 D 4.6640 8.4063 128.8138 53.4184 39.6214 176.4189 21 V 4.0563 7.1813 118.5628 62.4659 32.7660 176.0310 22 S 4.1785 8.6323 121.5510 59.2707 64.2065 175.3631 23 D 4.1110 8.7891 124.0307 57.5513 40.6267 178.6333 24 S 4.0588 8.1734 113.1518 61.9253 62.2410 175.9626 25 E 3.9685 8.3466 121.4761 59.0378 29.4126 178.3948 26 K 3.8147 8.8326 119.3110 59.7972 32.2541 179.0244 27 K 3.8765 8.4222 118.0030 59.5199 32.0840 178.9969 28 A 3.9626 7.7773 120.2726 55.6596 18.2411 179.7050 29 T 3.7262 8.4506 113.9693 66.9645 68.6144 176.7877 30 V 3.5742 8.1530 120.3614 66.3378 31.4067 178.0136 31 E 3.9349 8.1396 117.8782 59.1975 29.1599 178.8495 32 L 3.9444 7.7447 120.3560 58.1138 42.1220 179.1340 33 L 3.9428 8.2501 119.1202 58.0561 41.6842 179.1659 34 N 4.4859 8.1068 116.3016 56.3897 38.3747 177.0773 35 R 3.8580 7.9229 120.0151 59.5656 30.1195 178.3078 36 Q 4.1345 7.9026 117.3804 59.0696 28.8105 179.2492 37 V 3.5329 8.1737 119.3764 66.1672 31.5126 178.0297 38 I 3.6894 7.7494 119.2079 64.5144 36.9973 178.1165 39 Q 3.9854 8.1927 120.1872 59.2906 28.8365 178.5304 40 F 3.8711 9.2543 119.1312 60.5880 39.0252 177.5154 41 I 3.7399 8.2985 119.9242 64.6329 36.8856 177.9895 42 D 4.2705 8.1523 118.5298 57.3058 41.0849 177.8506 43 L 3.8426 7.9427 121.1371 58.0435 41.9269 179.2181 44 S 4.0353 8.4178 114.5494 61.4733 63.1849 176.2995 45 L 3.8897 7.8399 123.1039 57.4454 41.2776 179.7026 46 I 3.4863 8.0420 119.8760 64.5841 36.9589 178.4183 47 T 3.7779 7.8923 116.6029 66.7832 68.2358 176.7398 48 K 3.2966 7.6224 120.0513 58.8514 31.7596 179.0773 49 Q 4.0910 7.4741 119.2518 59.1947 28.8947 178.3150 50 A 3.7609 7.7749 121.7485 55.3742 18.2363 178.6345 51 H 3.9060 7.9523 115.6542 59.6224 29.8506 176.9333 52 W 4.6374 8.2519 119.2101 59.2064 28.7758 177.4808 53 N 5.0028 8.1312 114.9177 52.3677 38.7665 174.5401 54 M 5.2174 6.8395 116.6878 53.8037 33.4583 175.2995 55 R 4.3446 8.3494 116.9029 55.7969 34.2035 173.6003 56 G 3.9617 8.6860 103.8054 44.0451 0.0000 172.9117 57 A 4.0637 8.5492 122.2810 53.5107 18.8939 177.0083 58 N 4.1566 8.9482 118.7081 54.4974 37.5907 176.3134 59 F 4.2287 7.7337 117.1193 60.7747 39.4091 175.5106 60 I 2.8500 7.7843 117.1123 63.9558 37.7044 177.5148 61 A 3.7935 7.7404 120.6410 55.2521 18.1736 179.6549 62 V 3.3182 7.2693 116.7807 66.0483 31.1491 177.4155 63 H 3.8718 8.2873 118.3251 59.5149 29.6124 177.0850 64 E 3.7679 8.0410 120.1639 59.3638 29.2038 178.8205 65 M 3.5915 8.0177 118.6509 58.6116 32.1521 178.2277 66 L 3.3589 7.6724 119.1590 57.6179 41.8355 178.9170 67 D 4.1326 7.3437 117.5312 57.0169 41.1169 178.4964 68 G 3.5085 7.3707 105.6416 47.8603 0.0000 175.3676 69 F 3.8336 7.1332 120.4556 60.0488 38.8070 177.4567 70 R 3.8783 7.8860 118.0838 60.0825 29.9033 178.3426 71 T 3.8551 7.7326 114.3681 66.7635 68.4357 176.4409 72 A 4.1296 8.0556 121.9791 55.0423 18.4547 179.4342 73 L 4.2460 8.6949 117.9225 58.4548 41.7381 179.7126 74 I 3.7956 8.1576 119.7430 64.6535 37.0324 178.0363 75 C 4.0704 7.9583 118.7622 62.7947 31.4273 175.1615 76 H 4.0523 8.3177 117.7103 58.9262 28.2848 177.0287 77 L 3.6052 8.3230 122.0186 58.6422 41.7876 178.9958 78 A 3.9524 8.3336 120.3388 55.5114 18.3227 179.7496 79 T 3.7953 7.9008 114.2762 66.8820 68.4684 176.9432 80 M 3.9120 8.1805 120.5670 58.1568 32.0330 178.3142 81 A 3.9637 8.0423 121.1595 55.5341 18.4963 179.5472 82 E 3.8982 8.2721 116.8117 59.5343 29.2792 179.5950 83 R 3.8300 7.6514 117.5008 59.1730 30.4077 178.1557 84 A 4.0812 8.0327 120.5180 55.3725 18.5939 179.8334 85 V 3.7390 7.7981 116.5030 66.2703 31.2737 178.2210 86 Q 4.0630 8.0766 117.1095 58.1814 28.5988 177.4307 87 L 4.3760 7.5686 117.8515 54.6136 42.1413 177.6049 88 G 3.9239 8.1192 108.8731 44.9977 0.0000 174.6163 89 G 3.7027 7.3977 107.8546 44.4991 0.0000 172.3855 90 V 4.2664 8.0163 117.8540 60.6625 33.9601 175.5856 91 A 4.2530 8.6571 130.4735 51.7818 18.9334 176.2520 92 L 4.6461 9.7058 124.9723 53.3170 42.5338 177.0470 93 G 4.2215 8.3643 112.8071 44.5868 0.0000 172.5578 94 T 4.3098 7.8618 110.1921 60.6851 71.2678 174.7814 95 T 3.8900 8.5089 119.7434 67.0364 68.4037 176.3477 96 Q 3.9912 8.1368 118.6833 59.6714 28.4704 178.9424 97 V 3.6017 7.3807 119.5940 65.6151 31.4081 177.7536 98 I 3.7618 8.0306 119.9846 64.2211 36.8546 177.9807 99 N 4.2735 8.5411 118.3809 55.2337 37.1547 176.2202 100 S 4.5892 7.6962 115.3823 58.7321 64.0761 174.6642 101 K 4.4609 7.5044 118.3180 55.7774 33.5925 176.0410 102 T 3.9032 8.6014 115.8768 61.6831 67.2723 171.7435 103 P 4.6563 0.0000 0.0000 62.8808 31.3413 175.3611 104 L 4.6952 7.3638 118.4019 52.7157 43.5121 176.5501 105 K 3.9996 8.6043 124.2051 56.3230 32.7367 176.2574 106 S 4.2875 8.4077 118.5483 58.4158 62.9973 172.9786 107 Y 4.2061 8.4718 127.3154 55.9059 39.7065 172.4237 108 P 4.3434 0.0000 0.0000 63.2807 31.2357 176.0267 109 L 4.5517 8.4340 124.5231 54.9663 41.6393 177.5732 110 D 4.8430 7.9501 115.1231 52.7049 41.5906 175.4789 111 I 4.1381 7.5200 113.3681 61.3633 38.8362 174.2573 112 H 4.9683 8.3185 115.8818 56.1540 32.2641 172.9964 113 N 4.5551 8.2735 115.6787 54.3231 39.3903 174.9839 114 V 3.6908 8.8098 125.6163 66.8016 31.6636 178.2005 115 Q 3.9995 8.2921 117.2180 59.0837 28.4734 178.9312 116 D 4.3540 8.6377 120.3404 57.7575 40.8768 178.5171 117 H 4.4888 8.0353 117.5520 58.1989 28.6985 177.5612 118 L 4.0125 8.7290 121.2770 57.8978 41.6268 179.7663 119 K 3.9946 7.9404 117.6682 59.4992 32.0603 179.2745 120 E 4.0101 8.2046 118.7045 59.3958 29.4193 179.4203 121 L 4.2006 8.8728 119.0193 57.9480 41.7456 179.1029 122 A 4.0441 8.8145 121.7547 55.6345 18.1812 179.4623 123 D 4.3246 8.1386 116.5471 57.7347 41.0370 179.1530 124 R 3.9814 7.9830 117.9469 59.5795 30.0070 178.7852 125 Y 3.7282 8.9429 116.5392 60.9190 37.8223 178.4231 126 A 3.9834 8.3170 121.6966 55.2313 18.4712 179.6300 127 I 3.6126 7.8896 118.1605 64.6105 37.1600 178.8637 128 V 3.4584 7.7413 118.5599 65.7728 31.3543 177.7255 129 A 3.8982 8.6462 121.5887 55.4881 18.1491 179.4324 130 N 4.3072 8.5000 115.2675 56.3486 38.4528 177.1757 131 D 4.3474 8.2022 119.7630 57.3760 41.3333 178.5847 132 V 3.7821 8.1386 119.9397 64.9982 31.0011 178.1720 133 R 3.8621 7.8705 118.4501 59.0414 30.0924 178.4639 134 K 4.0921 7.8057 118.3528 59.3618 32.0365 178.9393 135 A 4.1163 8.2788 121.3308 55.4579 17.8562 179.6034 136 I 3.7396 7.3470 117.8067 64.5216 37.2442 177.9987 137 G 3.6770 8.0345 107.8384 48.5878 0.0000 174.4431 138 E 4.0659 8.0967 114.5113 56.3891 29.8670 176.0537 139 A 4.3787 7.4628 124.2423 51.3696 19.0412 177.7122 140 K 4.0537 8.5617 123.1967 58.9830 32.8779 177.5917 141 D 4.4173 7.9602 118.6017 53.7444 41.7540 175.7415 142 D 4.4003 8.8118 127.8970 57.9114 40.8630 178.7299 143 D 4.3655 8.0972 118.2213 57.9655 40.9007 179.0607 144 T 3.8053 7.7307 114.4958 66.5105 68.3567 176.5572 145 A 3.9761 8.3698 123.1668 55.0719 18.3978 179.1953 146 D 4.2133 8.1843 116.4968 57.5429 41.3988 178.3534 147 I 3.6797 7.8654 120.4071 64.6322 37.1427 178.4592 148 L 3.9807 7.9513 119.5789 57.9480 41.3430 179.6789 149 T 3.8802 8.0549 115.7181 66.4111 68.2053 176.5998 150 A 3.9242 8.1001 122.4940 55.0556 18.3660 179.5762 151 A 3.3560 7.8281 119.1976 55.0441 18.4411 179.6965 152 S 3.9301 8.4996 111.9877 61.5434 62.3499 176.0186 153 R 3.7761 7.9479 121.4201 59.8711 29.6513 178.1103 154 D 3.8308 7.5678 118.2389 56.9915 40.7322 178.6100 155 L 3.6206 7.6829 119.7495 57.9453 41.6171 179.4142 156 D 4.3924 8.3279 119.0392 57.0941 40.6041 178.8694 157 K 4.0758 7.4856 120.3676 59.3786 32.2261 178.9091 158 F 3.7382 8.1116 118.4977 60.3030 38.7716 177.0085 159 L 3.8837 8.2813 120.3402 58.1663 41.8443 178.6041 160 W 4.4947 8.2440 127.9070 60.9114 30.3690 177.8952 161 F 4.0500 8.2600 116.1720 60.4801 38.6185 177.4657 162 I 3.8563 8.3942 119.7066 64.4805 36.8778 178.1171 163 E 3.9782 8.6607 119.5686 59.8439 29.2236 179.7984 164 S 4.1561 8.4100 113.3474 60.8846 62.8824 175.5589 165 N 4.7101 7.6799 117.4282 52.6607 38.8009 175.0345 166 I 4.1848 7.3659 123.0223 60.4494 37.5239 175.7805 167 E 4.1586 9.1607 123.4812 56.5220 29.5625 176.5339 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 13 N 8.41 4.67 0.00 2.86 2.90 0.00 0.00 6.06 6.90 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 14 L 8.09 4.48 0.00 1.75 1.76 0.99 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.65 4.49 0.00 1.52 1.69 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.35 4.63 0.00 2.98 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 17 T 6.91 3.83 4.04 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 1.08 0.00 0.00 18 R 8.11 3.82 0.00 1.75 1.94 0.00 3.26 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.51 0.00 19 N 7.52 4.28 0.00 2.63 2.68 0.00 0.00 7.17 7.89 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 20 D 8.41 4.66 0.00 2.83 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 21 V 7.18 4.06 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 0.80 0.00 0.00 0.95 0.00 0.00 22 S 8.63 4.18 0.00 4.08 4.01 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 0.00 0.00 0.00 23 D 8.79 4.11 0.00 2.79 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.17 4.06 0.00 3.88 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 25 E 8.35 3.97 0.00 2.13 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 2.29 2.38 0.00 26 K 8.83 3.81 0.00 1.94 1.94 0.00 1.72 0.00 0.00 1.89 0.00 0.00 2.89 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.45 1.77 7.81 27 K 8.42 3.88 0.00 1.86 1.87 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.58 7.81 28 A 7.78 3.96 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 29 T 8.45 3.73 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 1.18 0.00 0.00 30 V 8.15 3.57 2.21 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 1.02 0.00 0.00 1.02 0.00 0.00 31 E 8.14 3.93 0.00 2.16 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 2.52 2.45 0.00 32 L 7.74 3.94 0.00 1.76 1.83 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.25 3.94 0.00 1.66 1.63 0.96 0.47 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 34 N 8.11 4.49 0.00 2.88 2.88 0.00 0.00 6.74 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 35 R 7.92 3.86 0.00 2.21 1.91 0.00 3.12 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 36 Q 7.90 4.13 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.53 0.00 0.00 0.00 0.00 0.00 2.59 2.48 0.00 37 V 8.17 3.53 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 1.05 0.00 0.00 0.94 0.00 0.00 38 I 7.75 3.69 2.08 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 1.42 0.63 0.93 0.00 0.00 39 Q 8.19 3.99 0.00 2.31 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 40 F 9.25 3.87 0.00 3.24 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 41 I 8.30 3.74 2.05 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 1.45 1.08 0.93 0.00 0.00 42 D 8.15 4.27 0.00 2.90 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.94 3.84 0.00 1.60 1.47 0.51 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.42 4.04 0.00 4.03 4.11 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 45 L 7.84 3.89 0.00 1.92 1.76 0.94 0.69 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 46 I 8.04 3.49 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.85 0.55 0.00 0.00 47 T 7.89 3.78 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 1.26 0.00 0.00 48 K 7.62 3.30 0.00 1.38 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.97 1.09 7.81 49 Q 7.47 4.09 0.00 2.26 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.59 0.00 50 A 7.77 3.76 1.17 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 0.00 0.00 51 H 7.95 3.91 0.00 2.85 3.19 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 W 8.25 4.64 0.00 3.61 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 53 N 8.13 5.00 0.00 2.81 2.82 0.00 0.00 6.70 9.01 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 54 M 6.84 5.22 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.91 0.00 55 R 8.35 4.34 0.00 1.85 1.71 0.00 3.13 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.56 0.00 56 G 8.69 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 57 A 8.55 4.06 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 58 N 8.95 4.16 0.00 2.94 2.82 0.00 0.00 6.82 7.71 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 59 F 7.73 4.23 0.00 3.21 3.05 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 60 I 7.78 2.85 1.88 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 1.53 1.15 0.86 0.00 0.00 61 A 7.74 3.79 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 V 7.27 3.32 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 0.98 0.00 0.00 0.88 0.00 0.00 63 H 8.29 3.87 0.00 2.19 2.80 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.04 3.77 0.00 1.87 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 2.25 2.37 0.00 65 M 8.02 3.59 0.00 1.80 1.81 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.45 0.00 66 L 7.67 3.36 0.00 1.80 1.44 0.75 0.83 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 67 D 7.34 4.13 0.00 2.49 2.46 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 68 G 7.37 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.13 3.83 0.00 2.98 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 70 R 7.89 3.88 0.00 1.76 1.94 0.00 2.93 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 71 T 7.73 3.86 4.42 0.00 0.00 0.00 0.00 0.00 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 72 A 8.06 4.13 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 0.00 0.00 0.00 0.00 0.00 73 L 8.69 4.25 0.00 2.16 1.87 1.08 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 74 I 8.16 3.80 2.05 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 1.44 0.89 0.93 0.00 0.00 75 C 7.96 4.07 0.00 3.03 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 76 H 8.32 4.05 0.00 3.43 3.18 0.00 5.71 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.32 3.61 0.00 1.86 1.94 1.02 1.01 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 78 A 8.33 3.95 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 79 T 7.90 3.80 4.36 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 1.17 0.00 0.00 80 M 8.18 3.91 0.00 1.90 2.06 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.37 0.00 81 A 8.04 3.96 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 82 E 8.27 3.90 0.00 2.21 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 2.41 0.00 83 R 7.65 3.83 0.00 1.86 2.08 0.00 3.28 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 84 A 8.03 4.08 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 85 V 7.80 3.74 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 1.01 0.00 0.00 0.95 0.00 0.00 86 Q 8.08 4.06 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 87 L 7.57 4.38 0.00 1.77 1.67 0.89 0.85 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 88 G 8.12 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 89 G 7.40 3.70 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 0.00 90 V 8.02 4.27 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 0.85 0.00 0.00 0.93 0.00 0.00 91 A 8.66 4.25 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 92 L 9.71 4.65 0.00 1.63 1.62 0.92 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.36 4.22 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 0.00 0.00 0.00 94 T 7.86 4.31 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 95 T 8.51 3.89 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 1.24 0.00 0.00 96 Q 8.14 3.99 0.00 2.25 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 97 V 7.38 3.60 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 1.03 0.00 0.00 0.94 0.00 0.00 98 I 8.03 3.76 2.01 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 1.82 1.00 0.93 0.00 0.00 99 N 8.54 4.27 0.00 2.88 3.10 0.00 0.00 7.10 8.40 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 0.00 100 S 7.70 4.59 0.00 4.00 4.11 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 0.00 101 K 7.50 4.46 0.00 1.88 1.84 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.33 7.81 102 T 8.60 3.90 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 1.29 0.00 0.00 103 P 0.00 4.66 0.00 2.22 2.13 0.00 3.79 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 104 L 7.36 4.70 0.00 1.84 1.64 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.60 4.00 0.00 1.73 1.76 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.46 7.81 106 S 8.41 4.29 0.00 3.91 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 0.00 107 Y 8.47 4.21 0.00 3.04 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 0.00 108 P 0.00 4.34 0.00 1.83 1.85 0.00 2.20 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.91 0.00 109 L 8.43 4.55 0.00 1.67 1.75 1.08 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 110 D 7.95 4.84 0.00 2.78 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 7.52 4.14 1.73 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.15 0.78 0.00 0.00 112 H 8.32 4.97 0.00 3.20 3.33 0.00 6.13 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 N 8.27 4.56 0.00 2.74 2.77 0.00 0.00 6.61 7.71 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 0.00 114 V 8.81 3.69 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 1.02 0.00 0.00 1.14 0.00 0.00 115 Q 8.29 4.00 0.00 2.36 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 116 D 8.64 4.35 0.00 2.89 2.65 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 0.00 117 H 8.04 4.49 0.00 3.42 3.46 0.00 5.91 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.73 4.01 0.00 1.97 1.75 0.98 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 119 K 7.94 3.99 0.00 2.01 1.88 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.59 7.81 120 E 8.20 4.01 0.00 2.31 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 2.45 2.19 0.00 121 L 8.87 4.20 0.00 1.89 1.72 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.81 4.04 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 8.14 4.32 0.00 3.02 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 0.00 124 R 7.98 3.98 0.00 1.93 2.03 0.00 3.48 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 125 Y 8.94 3.73 0.00 3.12 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 A 8.32 3.98 1.47 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 0.00 127 I 7.89 3.61 2.03 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 1.42 0.66 0.90 0.00 0.00 128 V 7.74 3.46 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 0.62 0.00 0.00 0.74 0.00 0.00 129 A 8.65 3.90 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 0.00 130 N 8.50 4.31 0.00 2.76 2.88 0.00 0.00 6.75 7.62 0.00 0.00 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 D 8.20 4.35 0.00 2.85 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 0.00 132 V 8.14 3.78 2.26 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 0.97 0.00 0.00 1.02 0.00 0.00 133 R 7.87 3.86 0.00 1.93 2.15 0.00 3.23 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 134 K 7.81 4.09 0.00 2.01 1.83 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.62 7.81 135 A 8.28 4.12 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 0.00 136 I 7.35 3.74 1.97 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.80 0.89 0.00 0.00 137 G 8.03 3.68 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 0.00 0.00 0.00 138 E 8.10 4.07 0.00 2.08 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 2.43 2.29 0.00 139 A 7.46 4.38 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 0.00 140 K 8.56 4.05 0.00 2.08 1.85 0.00 1.72 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.47 7.81 141 D 7.96 4.42 0.00 2.72 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 0.00 142 D 8.81 4.40 0.00 2.70 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 D 8.10 4.37 0.00 2.69 2.70 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 0.00 144 T 7.73 3.81 4.36 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 1.17 0.00 0.00 145 A 8.37 3.98 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 0.00 146 D 8.18 4.21 0.00 2.71 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 0.00 147 I 7.87 3.68 1.99 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 1.49 1.01 0.84 0.00 0.00 148 L 7.95 3.98 0.00 1.83 1.68 0.89 0.57 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 0.00 149 T 8.05 3.88 4.35 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 1.18 0.00 0.00 150 A 8.10 3.92 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 0.00 151 A 7.83 3.36 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 0.00 152 S 8.50 3.93 0.00 3.85 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 0.00 153 R 7.95 3.78 0.00 2.08 1.95 0.00 3.09 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 154 D 7.57 3.83 0.00 2.48 1.72 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.68 3.62 0.00 1.69 1.58 0.62 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 156 D 8.33 4.39 0.00 2.57 2.65 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 0.00 157 K 7.49 4.08 0.00 1.68 1.73 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.59 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.02 1.46 7.81 158 F 8.11 3.74 0.00 2.93 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 0.00 0.00 0.00 159 L 8.28 3.88 0.00 1.88 1.94 1.05 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 160 W 8.24 4.49 0.00 3.41 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 F 8.26 4.05 0.00 3.16 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 0.00 162 I 8.39 3.86 1.96 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.76 0.87 0.00 0.00 163 E 8.66 3.98 0.00 2.29 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 2.39 2.55 0.00 164 S 8.41 4.16 0.00 3.50 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 0.00 165 N 7.68 4.71 0.00 2.80 2.79 0.00 0.00 7.02 7.53 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 0.00 166 I 7.37 4.18 2.01 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 1.37 0.67 0.99 0.00 0.00 167 E 9.16 4.16 0.00 2.07 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 2.51 2.25 0.00