NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.4756 8.2393 117.3466 56.0684 30.7581 176.6099 2 S 4.5522 8.5715 117.9234 56.2577 60.6909 172.0525 3 D 4.3805 9.1897 129.3511 55.0317 41.1761 180.2271 4 K 4.0521 8.6761 121.4620 56.4421 31.0734 174.3861 5 E 4.8660 7.4065 113.7834 53.0697 29.6528 173.9088 6 L 4.4569 8.0757 122.9889 52.9097 45.4248 175.5476 7 K 4.5600 8.5647 125.6195 56.1747 33.2523 175.5436 8 F 5.3702 9.5019 125.2581 55.7753 41.5144 175.0011 9 L 5.0488 8.8419 126.0872 53.2947 43.5247 175.4650 10 V 4.1931 8.9232 128.1861 62.7164 32.1841 174.8880 11 V 4.3521 9.3385 130.9136 61.2525 31.0751 172.5568 12 D 5.1585 9.0924 125.4357 51.7854 43.6707 175.7903 13 D 4.3752 9.2679 126.0134 55.5398 39.8692 176.6673 14 F 4.4210 8.6300 122.9626 56.1623 40.8028 175.7793 15 S 4.1242 8.3519 121.9251 62.2045 62.5506 176.7182 16 T 3.9217 8.1172 119.1312 66.4025 68.4300 176.0879 17 M 4.0378 8.4319 119.5195 58.5196 32.3077 177.9122 18 R 3.9440 8.4712 119.1972 59.5812 30.2049 178.6474 19 R 3.9328 8.0531 117.6759 59.3086 30.0299 178.8845 20 I 3.7042 7.6586 119.5092 64.4918 37.1275 178.4515 21 V 3.5604 7.5983 118.4977 66.0148 31.3574 177.7998 22 R 3.8683 7.7612 117.7662 59.6961 29.9195 177.9919 23 N 4.3024 8.3655 116.3234 56.3347 38.5512 177.2911 24 L 4.0536 8.0382 120.1823 57.9171 41.8591 179.4846 25 L 4.0118 7.9454 118.7441 57.7615 41.5234 179.7443 26 K 3.9374 8.1595 118.2254 59.7491 31.8442 179.2365 27 E 3.9695 8.0561 117.1990 59.3139 29.4414 179.0039 28 L 4.1458 7.6988 117.3980 55.3580 41.8944 177.7036 29 G 3.7963 7.6982 106.0295 45.4643 0.0000 174.8910 30 F 5.4029 7.4081 118.8958 56.5978 37.1819 175.0793 31 N 4.8555 8.4782 118.7954 53.4371 38.1717 175.6402 32 N 5.2009 8.1566 118.4140 50.9779 39.5938 172.2840 33 V 5.1732 8.1418 120.0875 59.8778 34.5054 174.9072 34 E 5.0278 9.9400 124.0461 54.5191 33.3639 174.6888 35 E 5.2905 8.8442 119.8657 54.7169 33.1801 174.8866 36 A 4.8535 9.2424 124.3091 50.7953 22.8754 176.3264 37 E 4.3609 9.8907 117.1636 57.0513 30.9520 176.9028 38 D 5.1263 7.5795 116.3396 50.3144 43.8811 176.3929 39 G 3.8288 8.3336 106.1876 48.2218 0.0000 175.7899 40 V 3.5424 7.6028 121.0366 65.6445 31.6787 177.3618 41 D 4.3111 8.3431 116.8755 57.3488 40.9611 178.0692 42 A 3.8736 8.0800 120.9789 55.0872 18.3776 179.2608 43 L 3.8373 7.9182 117.5425 58.2028 41.5381 179.3508 44 N 4.5490 7.6313 115.7535 55.6825 38.9767 177.1811 45 K 4.1444 7.8526 119.1217 59.7525 32.3509 179.4323 46 L 3.8751 8.1849 119.3307 57.8909 41.2772 179.6755 47 Q 4.0861 8.4404 117.7988 58.6742 28.3365 178.5858 48 A 4.0703 7.8431 121.0810 54.4616 18.7304 176.6682 49 G 3.6842 8.2075 101.7363 44.9008 0.0000 172.1068 50 G 4.1854 8.7805 109.0407 45.9558 0.0000 174.4005 51 Y 4.3672 7.6174 116.5833 58.0692 38.3100 175.7492 52 G 4.2282 8.3539 110.4963 45.2366 0.0000 172.1420 53 F 4.8510 7.6056 118.7568 57.2290 42.8506 172.5822 54 V 4.9163 8.9092 125.2178 61.3007 34.5356 174.1777 55 I 5.0506 9.1294 129.3451 59.8564 38.8343 174.0361 56 S 5.2093 8.9062 122.3386 56.0844 65.2463 172.4416 57 D 4.8677 8.9620 127.5242 53.9521 41.3089 175.5443 58 W 4.0624 9.7901 135.0000 60.3925 31.5139 175.8427 59 N 5.1550 8.2682 118.2803 51.3419 35.4437 172.8067 60 M 4.7701 7.6885 124.2780 53.2545 35.1750 174.0381 61 P 4.3408 0.0000 0.0000 63.8999 31.9551 174.6226 62 N 4.4361 8.7390 122.2059 53.6880 37.0761 174.5473 63 M 4.6555 7.3254 123.0588 52.9182 33.7710 174.8306 64 D 5.0240 8.3785 128.6447 51.8759 41.6882 177.1143 65 G 3.6036 8.2524 106.7575 47.7709 0.0000 175.5713 66 L 3.4031 6.6980 122.5934 57.3716 42.0027 178.7814 67 E 3.8414 8.2089 118.4410 59.2390 29.4250 178.9663 68 L 4.1424 7.9198 121.9353 57.3821 41.9970 178.6244 69 L 3.8722 7.9143 120.3068 58.1787 41.9596 179.2196 70 K 3.9214 7.7297 118.4076 59.6615 31.9783 179.4001 71 T 3.8522 7.8705 110.0493 64.8212 68.5164 176.5814 72 I 3.6242 7.8030 122.4265 64.3682 37.0446 178.5163 73 R 3.9096 7.9773 117.3404 58.6382 29.9508 177.9153 74 A 4.5477 7.6896 117.8050 51.8664 21.4779 177.1485 75 D 4.5516 8.1979 119.4632 55.8278 37.9878 179.7172 76 G 3.5064 8.2903 107.7760 46.8736 0.0000 174.2811 77 A 3.9876 8.5716 124.6299 55.0965 19.5903 179.6356 78 M 4.2888 8.4943 114.5717 57.0173 32.3086 178.5268 79 S 4.2037 7.7243 114.5328 60.7308 63.0152 174.8557 80 A 4.4474 7.7904 120.9400 51.6596 19.0800 176.2245 81 L 4.4159 7.7655 118.5411 53.3268 42.1453 175.2806 82 P 4.0364 0.0000 0.0000 63.3201 32.4089 175.2071 83 V 4.7047 8.5834 122.2822 60.9880 34.6157 173.8088 84 L 4.8467 9.2166 130.6437 53.5567 43.9281 175.2158 85 M 4.7880 9.0898 128.1150 54.9026 33.0890 176.5004 86 V 4.5061 9.2164 126.9510 62.2906 32.4091 174.7417 87 T 4.8628 8.8530 119.4282 60.3864 70.2511 176.1054 88 A 3.9781 8.8359 127.9643 54.6289 18.7859 177.6241 89 E 4.4087 7.7602 114.2431 54.2374 32.4114 174.1326 90 A 4.5321 8.5859 129.3561 50.4993 20.1482 176.4734 91 K 4.6086 8.5749 121.9313 54.3526 37.1408 177.2687 92 K 3.7407 8.5523 120.3728 60.1626 31.9641 178.6250 93 E 3.8944 8.1557 118.0329 59.8480 29.3539 179.1959 94 N 4.2793 7.7427 116.1096 55.5784 37.5329 177.1794 95 I 3.0197 7.2185 122.1740 64.1733 37.0875 178.3510 96 I 3.6526 7.7788 120.3630 64.2076 37.0582 178.1573 97 A 4.1374 7.9876 121.4240 55.2631 18.2171 179.3821 98 A 4.1012 8.4597 118.9565 55.4721 18.5805 179.6364 99 A 4.1489 7.9154 118.7395 55.6144 18.2684 179.7635 100 Q 3.9900 8.1655 115.1920 58.8620 28.8691 178.1953 101 A 4.4136 7.5435 118.3653 51.9534 18.9117 177.8416 102 G 3.8782 8.0976 105.5719 45.1716 0.0000 174.3900 103 A 4.0333 7.8386 123.5034 52.3397 18.4133 177.8633 104 S 4.2102 8.8696 120.1383 61.5825 63.6685 174.4954 105 G 4.1735 7.7612 105.1371 46.1389 0.0000 171.9357 106 Y 5.4724 8.0685 117.2777 55.1063 41.2643 174.8874 107 V 4.2596 8.6854 121.5603 59.6979 34.2851 175.0413 108 V 4.5781 8.4326 125.0948 60.9415 32.6987 175.5306 109 K 4.9288 8.7621 123.5051 55.4655 33.9304 174.4917 110 P 4.6279 0.0000 0.0000 61.7766 32.5726 175.1880 111 F 4.9794 8.1894 116.3933 55.1076 40.4782 175.1448 112 T 4.4072 8.1887 112.9586 59.7426 72.1905 175.2851 113 A 3.9730 8.4347 121.3776 55.4316 18.0908 179.5523 114 A 3.9399 7.9427 118.4412 55.6351 18.7107 179.6565 115 T 3.8082 7.5252 112.8291 66.7117 68.5192 176.4161 116 L 3.9016 8.2917 122.2223 58.2060 42.0904 178.4353 117 E 4.0009 8.4867 119.4458 59.4579 29.5772 178.4301 118 E 3.9549 8.4668 118.7530 59.5273 29.5559 179.6293 119 K 3.8312 7.8255 117.7862 59.3406 32.0704 179.2059 120 L 3.5662 7.8947 119.2081 57.8205 41.5968 179.1709 121 N 4.4197 8.2495 116.3360 56.3748 38.5476 177.1376 122 K 4.1675 7.7238 121.8454 59.0049 32.2702 178.6776 123 I 3.5802 7.6036 119.7866 64.4966 37.0409 178.3732 124 F 4.6011 7.6770 118.5277 60.6907 38.5753 177.6152 125 E 4.0266 8.3916 118.0549 59.4269 29.1101 179.4733 126 K 3.9827 7.7719 116.9550 59.6929 32.2393 179.1995 127 L 4.1900 7.9312 117.9413 55.4685 41.5741 177.7334 128 G 3.9274 8.2179 106.0444 46.4989 0.0000 173.4103 129 M 4.2262 8.2731 122.1975 55.1764 31.2231 175.8620 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 R 8.24 4.48 0.00 2.00 2.11 0.00 3.02 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 2 S 8.57 4.55 0.00 4.00 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 3 D 9.19 4.38 0.00 2.76 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 4 K 8.68 4.05 0.00 2.00 1.96 0.00 1.56 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.20 1.54 7.81 5 E 7.41 4.87 0.00 1.98 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 2.24 2.47 0.00 6 L 8.08 4.46 0.00 1.70 1.08 0.74 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 0.00 0.00 0.00 0.00 7 K 8.56 4.56 0.00 1.81 1.63 0.00 1.54 0.00 0.00 1.40 0.00 0.00 2.73 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.47 1.39 7.81 8 F 9.50 5.37 0.00 2.94 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 9 L 8.84 5.05 0.00 1.18 1.37 0.81 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.92 4.19 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 0.96 0.00 0.00 0.99 0.00 0.00 11 V 9.34 4.35 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 0.95 0.00 0.00 0.96 0.00 0.00 12 D 9.09 5.16 0.00 2.81 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 13 D 9.27 4.38 0.00 2.89 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 14 F 8.63 4.42 0.00 3.17 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 15 S 8.35 4.12 0.00 4.04 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.12 3.92 4.52 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 1.29 0.00 0.00 17 M 8.43 4.04 0.00 2.56 2.13 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.53 0.00 18 R 8.47 3.94 0.00 2.12 2.14 0.00 3.27 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.74 0.00 19 R 8.05 3.93 0.00 2.25 1.97 0.00 3.48 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 20 I 7.66 3.70 1.92 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.69 0.67 0.00 0.00 21 V 7.60 3.56 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.17 0.00 0.00 22 R 7.76 3.87 0.00 2.08 2.13 0.00 3.37 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 23 N 8.37 4.30 0.00 2.91 2.84 0.00 0.00 7.11 7.42 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 24 L 8.04 4.05 0.00 1.90 1.72 0.66 0.54 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 25 L 7.95 4.01 0.00 1.74 1.54 0.45 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.16 3.94 0.00 2.00 1.86 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.64 1.64 7.81 27 E 8.06 3.97 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 28 L 7.70 4.15 0.00 1.90 1.74 1.08 0.96 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 29 G 7.70 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 7.41 5.40 0.00 3.25 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 31 N 8.48 4.86 0.00 2.90 2.87 0.00 0.00 7.23 7.98 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 32 N 8.16 5.20 0.00 2.92 2.78 0.00 0.00 6.55 7.38 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 33 V 8.14 5.17 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 0.81 0.00 0.00 1.01 0.00 0.00 34 E 9.94 5.03 0.00 2.37 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 2.40 2.42 0.00 35 E 8.84 5.29 0.00 1.84 1.84 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 2.25 2.34 0.00 36 A 9.24 4.85 1.18 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 0.00 0.00 37 E 9.89 4.36 0.00 1.93 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 2.27 2.18 0.00 38 D 7.58 5.13 0.00 3.01 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 39 G 8.33 3.83 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 0.00 0.00 0.00 40 V 7.60 3.54 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 0.97 0.00 0.00 0.91 0.00 0.00 41 D 8.34 4.31 0.00 2.92 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 42 A 8.08 3.87 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 43 L 7.92 3.84 0.00 1.86 1.72 0.89 0.51 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 44 N 7.63 4.55 0.00 2.90 2.90 0.00 0.00 7.19 7.61 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 45 K 7.85 4.14 0.00 1.98 1.77 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.57 7.81 46 L 8.18 3.88 0.00 1.77 1.66 0.81 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.44 4.09 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 48 A 7.84 4.07 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 49 G 8.21 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 50 G 8.78 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 51 Y 7.62 4.37 0.00 3.01 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 52 G 8.35 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 0.00 0.00 0.00 0.00 53 F 7.61 4.85 0.00 2.65 2.41 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 54 V 8.91 4.92 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 0.88 0.00 0.00 0.91 0.00 0.00 55 I 9.13 5.05 1.99 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.14 0.97 0.00 0.00 56 S 8.91 5.21 0.00 3.87 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.96 4.87 0.00 3.01 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 58 W 9.79 4.06 0.00 3.66 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 59 N 8.27 5.15 0.00 3.01 2.97 0.00 0.00 7.02 7.08 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 60 M 7.69 4.77 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.72 0.00 61 P 0.00 4.34 0.00 2.04 1.99 0.00 3.81 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 2.04 2.14 0.00 62 N 8.74 4.44 0.00 2.85 2.94 0.00 0.00 6.66 7.66 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 63 M 7.33 4.66 0.00 2.03 1.87 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 2.49 2.41 0.00 64 D 8.38 5.02 0.00 3.14 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 65 G 8.25 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 6.70 3.40 0.00 0.27 1.28 0.81 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.21 3.84 0.00 2.13 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 2.26 2.45 0.00 68 L 7.92 4.14 0.00 1.66 1.77 0.91 0.62 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 69 L 7.91 3.87 0.00 1.66 1.72 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.73 3.92 0.00 1.91 1.80 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.58 7.81 71 T 7.87 3.85 4.21 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 1.22 0.00 0.00 72 I 7.80 3.62 1.98 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.94 0.91 0.00 0.00 73 R 7.98 3.91 0.00 1.95 1.99 0.00 3.13 0.00 0.00 3.32 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.68 0.00 74 A 7.69 4.55 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 75 D 8.20 4.55 0.00 3.01 2.67 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 0.00 76 G 8.29 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 77 A 8.57 3.99 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 78 M 8.49 4.29 0.00 2.06 2.24 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 2.62 2.52 0.00 79 S 7.72 4.20 0.00 3.88 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 80 A 7.79 4.45 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 81 L 7.77 4.42 0.00 1.52 1.61 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.04 0.00 0.78 1.79 0.00 3.58 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 1.73 1.81 0.00 83 V 8.58 4.70 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 0.92 0.00 0.00 0.88 0.00 0.00 84 L 9.22 4.85 0.00 2.14 1.82 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 85 M 9.09 4.79 0.00 2.50 2.34 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 2.80 2.71 0.00 86 V 9.22 4.51 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.93 0.00 0.00 87 T 8.85 4.86 3.94 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 1.19 0.00 0.00 88 A 8.84 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 89 E 7.76 4.41 0.00 1.80 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 2.12 2.26 0.00 90 A 8.59 4.53 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 91 K 8.57 4.61 0.00 1.81 1.76 0.00 1.24 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.15 1.49 7.81 92 K 8.55 3.74 0.00 1.75 1.89 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.52 7.81 93 E 8.16 3.89 0.00 1.95 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 2.37 2.40 0.00 94 N 7.74 4.28 0.00 1.78 2.64 0.00 0.00 5.19 7.41 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 95 I 7.22 3.02 1.74 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.58 0.60 0.00 0.00 96 I 7.78 3.65 1.83 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 1.42 0.66 0.97 0.00 0.00 97 A 7.99 4.14 1.56 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 0.00 0.00 0.00 98 A 8.46 4.10 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 0.00 0.00 0.00 0.00 0.00 99 A 7.92 4.15 1.42 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 0.00 0.00 0.00 100 Q 8.17 3.99 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.00 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 101 A 7.54 4.41 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 0.00 102 G 8.10 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 0.00 103 A 7.84 4.03 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 0.00 104 S 8.87 4.21 0.00 3.69 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 0.00 105 G 7.76 4.17 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 0.00 106 Y 8.07 5.47 0.00 3.18 2.99 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 0.00 107 V 8.69 4.26 1.67 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 -0.52 0.00 0.00 0.58 0.00 0.00 108 V 8.43 4.58 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 0.79 0.00 0.00 1.05 0.00 0.00 109 K 8.76 4.93 0.00 1.88 2.10 0.00 1.61 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.72 1.42 7.81 110 P 0.00 4.63 0.00 2.13 2.02 0.00 3.72 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 1.95 1.91 0.00 111 F 8.19 4.98 0.00 3.14 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 0.00 112 T 8.19 4.41 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 1.19 0.00 0.00 113 A 8.43 3.97 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 0.00 114 A 7.94 3.94 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 0.00 115 T 7.53 3.81 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 1.23 0.00 0.00 116 L 8.29 3.90 0.00 2.10 1.82 1.06 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.49 4.00 0.00 2.24 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 0.00 2.42 2.51 0.00 118 E 8.47 3.95 0.00 2.25 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 2.33 2.41 0.00 119 K 7.83 3.83 0.00 1.87 1.73 0.00 1.49 0.00 0.00 1.46 0.00 0.00 2.78 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.57 1.41 7.81 120 L 7.89 3.57 0.00 1.88 1.58 0.90 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 121 N 8.25 4.42 0.00 2.95 2.94 0.00 0.00 6.78 8.26 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 0.00 122 K 7.72 4.17 0.00 1.80 1.96 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.33 7.81 123 I 7.60 3.58 1.72 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.59 0.68 0.00 0.00 124 F 7.68 4.60 0.00 3.21 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 0.00 125 E 8.39 4.03 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 126 K 7.77 3.98 0.00 1.90 1.88 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.67 7.81 127 L 7.93 4.19 0.00 1.89 1.80 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 128 G 8.22 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 0.00 129 M 8.27 4.23 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.73 0.00