NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3191 8.3349 115.4111 56.9486 63.9284 173.3920 4 V 3.0221 8.9849 109.7779 58.5021 28.1539 168.5815 5 P 4.3883 0.0000 0.0000 61.3971 33.2269 175.3903 6 P 4.4998 0.0000 0.0000 62.5967 31.6824 176.8817 7 G 4.0584 8.6923 110.4487 46.5037 0.0000 171.9005 8 D 5.4927 8.7257 118.7612 52.9709 43.4685 176.0415 9 I 4.6068 7.9648 113.6212 59.1041 40.9175 174.1350 10 Q 4.6534 8.7285 122.7979 54.3965 32.2922 173.9707 11 T 5.0615 8.4288 114.8621 59.9654 72.8352 172.7360 12 Q 4.7812 9.0197 121.7116 53.3741 32.0893 173.7656 13 P 4.6574 0.0000 0.0000 62.6138 32.0933 176.6279 14 G 4.1998 8.4306 107.1818 46.7376 0.0000 174.5475 15 T 4.6738 7.4279 113.6686 63.1348 71.2626 173.6060 16 K 4.2611 7.2883 118.0038 56.5466 34.7933 173.8019 17 I 4.5391 8.0266 120.2949 59.0731 41.3097 173.8208 18 V 4.5208 8.3403 128.1455 61.1665 33.4981 174.5138 19 F 4.7902 8.6380 127.4940 56.2410 40.2668 174.8598 20 N 5.2200 8.8405 122.0765 52.4739 39.3513 175.4480 21 A 2.9577 8.6611 125.7859 50.2944 19.4364 175.2373 22 P 4.0470 0.0000 0.0000 62.4587 32.7550 175.9288 23 Y 4.9910 7.8633 116.0558 58.0634 38.4393 176.8215 24 D 4.7772 8.1303 117.7035 54.6538 41.7650 175.3576 25 D 4.6730 7.4504 117.6679 52.7244 45.1350 174.4615 26 K 4.5448 8.5100 121.6316 55.7378 31.7249 175.8537 27 H 4.4992 8.9672 125.1017 55.6487 30.4925 175.1214 28 T 4.8053 7.9895 116.8887 62.2894 71.0323 173.3551 29 Y 4.5275 9.3837 125.4920 57.1261 40.5456 174.4507 30 H 6.0003 8.6405 116.0058 53.3041 32.8994 173.3503 31 I 4.7767 8.3098 121.8522 59.4333 40.9073 174.1473 32 K 4.7296 8.9926 128.7831 55.2841 34.1331 175.2823 33 V 4.6370 8.5636 126.7703 61.1567 34.1716 173.9542 34 I 4.6924 8.6392 129.2575 59.4786 40.0572 174.8057 35 N 4.7234 8.8564 126.3851 53.1534 38.1214 175.2920 36 S 4.5036 8.2083 121.8610 59.8292 63.6730 174.5953 37 S 4.4641 8.1053 114.7177 58.0324 63.8757 174.0650 38 A 4.5931 8.4968 120.0702 51.9413 19.0147 176.6887 39 R 4.8023 7.4005 115.4981 54.3528 33.7708 175.6440 40 R 4.4214 8.5535 122.6970 56.4284 31.3107 175.2201 41 I 5.1324 8.8763 119.3982 59.1515 41.4010 174.3322 42 G 5.1266 9.3915 111.4694 45.1622 0.0000 172.2077 43 Y 5.9937 8.9874 121.2792 55.1939 42.0636 174.4278 44 G 4.3730 9.8117 106.9606 44.6178 0.0000 171.4068 45 I 5.2905 8.7497 122.6419 59.2720 40.1104 175.2723 46 K 4.9509 9.2885 125.2115 54.8640 36.5473 175.0876 47 T 5.4358 8.6114 111.0509 59.2039 72.0530 173.5987 48 T 4.2719 8.5792 110.3358 62.2714 69.8889 175.1801 49 N 4.8655 8.0959 121.6243 52.1535 39.5485 174.1504 50 M 3.9334 8.3609 123.2968 57.6426 32.6312 178.3640 51 K 4.0620 8.1004 117.5290 59.4957 32.6615 178.0999 52 R 4.1073 8.8245 118.9618 58.0761 30.4340 176.0041 53 L 5.3039 8.4620 117.0737 53.3416 43.9633 176.7708 54 G 4.2724 8.9194 108.0520 45.0064 0.0000 171.8386 55 V 5.1041 8.4019 123.7866 61.1245 34.5665 174.4075 56 D 4.8414 8.8137 126.5958 52.4587 44.6489 172.7664 57 P 4.8806 0.0000 0.0000 62.2468 32.1089 174.7027 58 P 4.6902 0.0000 0.0000 64.9036 32.6163 175.0808 59 C 4.3504 7.4227 113.2036 57.6323 32.1844 173.9165 60 G 3.7014 6.1948 105.1684 46.7605 0.0000 171.8781 61 V 5.1847 8.4895 118.6220 61.2777 35.1639 175.7654 62 L 4.8748 9.2591 126.8326 52.8448 44.9340 176.1901 63 D 4.8431 8.9284 123.7630 53.1865 42.4731 174.4353 64 P 4.3067 0.0000 0.0000 64.3632 31.5465 177.2612 65 K 3.9736 8.9891 121.1879 56.5862 30.7035 175.6638 66 E 4.4687 8.1710 120.7353 55.6460 31.0065 175.0022 67 A 5.3566 8.4482 125.2345 50.0726 22.8515 175.6078 68 V 4.4303 8.7381 118.2060 59.8588 35.1480 174.2644 69 L 4.8396 8.5615 125.7611 53.8337 43.0000 175.5538 70 L 4.6395 9.3293 127.1211 53.7989 44.0959 175.6162 71 A 4.9780 8.8767 124.2086 50.3468 21.3095 175.6935 72 V 4.8207 8.8239 124.2667 61.5477 33.5704 174.6127 73 S 5.2353 9.5210 123.9747 56.6930 65.8702 172.6390 74 C 5.3042 8.9479 123.5418 57.5544 33.7672 173.2102 75 D 4.9930 8.9191 126.3964 53.9698 41.6255 175.9492 76 A 4.8570 8.5689 122.0712 52.2059 19.0965 176.8363 77 F 5.0472 8.7103 115.3353 55.5757 40.8874 173.6996 78 A 4.3760 8.6011 122.4413 50.8642 19.4088 178.1223 79 F 3.9778 8.9447 126.1943 61.3543 39.8634 176.6878 80 G 3.5743 8.1292 107.8736 48.7945 0.0000 174.9626 81 Q 4.2111 7.2641 112.3977 55.7782 27.9063 175.2432 82 E 4.5480 7.4467 116.9709 55.9183 33.6407 175.4058 83 D 4.7536 8.3881 118.7337 52.8768 39.4328 176.3192 84 T 4.1715 7.7304 109.3652 61.5880 69.1568 175.7877 85 N 4.7163 7.9930 119.0338 53.7172 38.3680 176.0332 86 N 4.9754 7.7516 113.6181 52.8308 39.4078 174.3201 87 D 4.7295 7.9168 119.6871 54.5363 42.2342 175.3705 88 R 4.8350 8.8806 117.4618 55.8309 33.5928 173.1950 89 I 4.7664 8.4333 120.5073 59.8456 39.9992 174.8842 90 T 4.9606 9.2157 123.9703 61.7513 71.3478 173.3242 91 V 4.7573 8.7823 126.8211 61.4200 33.4301 173.7930 92 E 5.4140 9.3787 129.9669 54.4364 31.9638 174.5708 93 W 6.1895 8.8045 122.5080 56.1172 32.1792 173.2163 94 T 4.9587 9.3187 114.5618 60.5143 70.9555 172.5703 95 N 5.0548 8.8078 124.0401 53.2931 39.2133 175.1618 96 T 3.1035 8.4935 114.9074 60.7522 69.2286 172.8257 97 P 4.1938 0.0000 0.0000 61.9058 32.0639 175.8182 98 D 4.1357 8.5947 120.2741 56.1139 41.2299 176.8520 99 G 3.7519 8.7436 113.7313 45.9444 0.0000 171.9998 100 A 4.7097 7.4736 121.6477 50.4761 22.7554 176.1402 101 A 4.4633 8.4044 123.1397 51.0004 20.9212 177.7313 102 K 4.4560 8.2607 119.7753 55.7914 31.1754 176.9698 103 Q 4.4597 7.7108 119.0322 53.9239 32.0995 174.0156 104 F 3.5770 8.8471 127.3843 58.3974 40.1407 174.3281 105 R 3.7961 5.8400 123.5700 53.9006 33.1690 176.7189 106 R 3.5022 7.6529 122.2653 58.8062 30.5740 178.9820 107 E 3.9096 7.6194 117.3391 58.9413 29.1284 178.8977 108 W 4.7847 7.2334 118.1318 59.0741 29.1407 177.3353 109 F 5.0161 7.8158 115.8054 57.8709 38.8858 176.1449 110 Q 4.3988 8.4094 117.9128 57.2758 29.9173 176.3233 111 G 3.9146 7.8724 104.9244 44.5944 0.0000 172.2794 112 D 4.3556 8.6037 118.7065 54.3721 41.1792 178.0654 113 G 3.9527 7.5030 108.6338 44.7043 0.0000 171.2738 114 M 4.6533 8.0454 119.1464 53.2890 34.6903 175.1693 115 V 4.3229 8.0768 122.4857 60.9250 34.0937 174.4673 116 R 4.2870 8.0466 126.8832 54.3167 32.8598 174.4978 117 R 5.1514 7.9337 122.4801 54.2755 34.4643 174.5023 118 K 4.6785 9.2937 122.9815 54.9685 35.2567 174.8059 119 N 5.2370 8.9401 124.6208 52.4189 40.5789 175.3140 120 L 4.6505 8.7065 121.6520 51.7651 43.8186 173.6301 121 P 4.5501 0.0000 0.0000 62.6984 32.8570 175.0759 122 I 4.0285 8.1161 125.1469 59.9998 38.0986 174.7375 123 E 4.4914 8.4785 129.0673 54.4728 31.7375 174.1010 124 Y 4.8976 8.7212 124.8193 57.2227 39.6646 174.9489 125 N 4.9526 9.5802 124.0663 51.0682 40.4190 172.6938 126 P 4.1773 0.0000 0.0000 62.5013 31.6556 176.5378 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 3 S 8.33 4.32 0.00 3.98 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.98 3.02 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 0.67 0.00 0.00 0.92 0.00 0.00 5 P 0.00 4.39 0.00 2.16 2.03 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 6 P 0.00 4.50 0.00 1.97 2.10 0.00 3.58 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 1.71 2.09 0.00 7 G 8.69 4.06 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 0.00 0.00 0.00 8 D 8.73 5.49 0.00 2.69 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.96 4.61 1.49 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.25 -0.19 0.00 0.00 10 Q 8.73 4.65 0.00 2.04 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.72 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 11 T 8.43 5.06 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 1.10 0.00 0.00 12 Q 9.02 4.78 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.94 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 13 P 0.00 4.66 0.00 2.29 2.05 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.98 0.00 14 G 8.43 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 0.00 0.00 0.00 0.00 15 T 7.43 4.67 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 16 K 7.29 4.26 0.00 1.76 1.70 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.76 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.12 1.20 7.81 17 I 8.03 4.54 1.82 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.73 0.67 0.00 0.00 18 V 8.34 4.52 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 0.94 0.00 0.00 0.93 0.00 0.00 19 F 8.64 4.79 0.00 2.77 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 20 N 8.84 5.22 0.00 2.63 2.74 0.00 0.00 7.04 8.68 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 21 A 8.66 2.96 0.67 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 0.00 0.00 22 P 0.00 4.05 0.00 2.12 1.95 0.00 3.62 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 23 Y 7.86 4.99 0.00 2.73 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.13 4.78 0.00 2.65 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 25 D 7.45 4.67 0.00 2.54 2.33 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 26 K 8.51 4.54 0.00 1.83 1.74 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.72 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.63 7.81 27 H 8.97 4.50 0.00 3.19 2.87 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.99 4.81 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29 Y 9.38 4.53 0.00 2.93 2.96 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 30 H 8.64 6.00 0.00 2.99 3.19 0.00 5.89 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.31 4.78 1.88 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 1.26 1.04 0.88 0.00 0.00 32 K 8.99 4.73 0.00 1.81 1.62 0.00 1.55 0.00 0.00 1.84 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.34 7.81 33 V 8.56 4.64 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 0.56 0.00 0.00 0.72 0.00 0.00 34 I 8.64 4.69 1.78 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 1.06 0.48 0.85 0.00 0.00 35 N 8.86 4.72 0.00 2.79 2.90 0.00 0.00 6.88 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 36 S 8.21 4.50 0.00 3.73 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 37 S 8.11 4.46 0.00 3.96 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 38 A 8.50 4.59 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 39 R 7.40 4.80 0.00 1.65 1.82 0.00 3.33 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 40 R 8.55 4.42 0.00 1.90 1.78 0.00 3.08 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 41 I 8.88 5.13 2.31 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.42 1.22 0.00 0.00 42 G 9.39 5.13 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 0.00 0.00 0.00 43 Y 8.99 5.99 0.00 3.28 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 44 G 9.81 4.37 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 0.00 45 I 8.75 5.29 1.94 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.11 0.97 0.00 0.00 46 K 9.29 4.95 0.00 1.70 1.68 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.43 7.81 47 T 8.61 5.44 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 1.25 0.00 0.00 48 T 8.58 4.27 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 49 N 8.10 4.87 0.00 2.60 2.65 0.00 0.00 7.13 7.50 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 50 M 8.36 3.93 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 51 K 8.10 4.06 0.00 1.75 1.87 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.43 7.81 52 R 8.82 4.11 0.00 1.71 1.96 0.00 2.77 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.34 0.00 53 L 8.46 5.30 0.00 1.65 1.63 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.92 4.27 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 0.00 55 V 8.40 5.10 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 0.87 0.00 0.00 0.98 0.00 0.00 56 D 8.81 4.84 0.00 2.83 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 57 P 0.00 4.88 0.00 2.31 2.06 0.00 3.88 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.05 0.00 58 P 0.00 4.69 0.00 2.10 2.33 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 59 C 7.42 4.35 0.00 1.23 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 0.00 0.00 0.00 0.00 60 G 6.19 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 61 V 8.49 5.18 2.23 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 1.07 0.00 0.00 1.32 0.00 0.00 62 L 9.26 4.87 0.00 1.66 1.58 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.93 4.84 0.00 2.80 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 64 P 0.00 4.31 0.00 2.04 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 2.04 2.24 0.00 65 K 8.99 3.97 0.00 1.88 1.96 0.00 1.70 0.00 0.00 1.62 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.50 7.81 66 E 8.17 4.47 0.00 2.09 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 2.30 2.28 0.00 67 A 8.45 5.36 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 8.74 4.43 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.99 0.00 0.00 69 L 8.56 4.84 0.00 1.65 1.64 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 70 L 9.33 4.64 0.00 1.70 1.58 0.85 0.85 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 71 A 8.88 4.98 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 72 V 8.82 4.82 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 1.17 0.00 0.00 1.01 0.00 0.00 73 S 9.52 5.24 0.00 3.89 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 0.00 74 C 8.95 5.30 0.00 2.94 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 0.00 0.00 0.00 0.00 75 D 8.92 4.99 0.00 2.80 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.57 4.86 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 77 F 8.71 5.05 0.00 3.22 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 78 A 8.60 4.38 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 F 8.94 3.98 0.00 3.04 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 80 G 8.13 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 81 Q 7.26 4.21 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 82 E 7.45 4.55 0.00 1.90 1.78 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 2.22 2.49 0.00 83 D 8.39 4.75 0.00 2.68 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 84 T 7.73 4.17 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 0.77 0.00 0.00 85 N 7.99 4.72 0.00 2.94 3.11 0.00 0.00 6.78 6.84 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 86 N 7.75 4.98 0.00 2.80 2.84 0.00 0.00 7.02 7.94 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 87 D 7.92 4.73 0.00 2.68 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.88 4.83 0.00 1.88 1.93 0.00 2.70 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 89 I 8.43 4.77 1.85 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 1.25 0.64 0.93 0.00 0.00 90 T 9.22 4.96 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 1.30 0.00 0.00 91 V 8.78 4.76 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 0.97 0.00 0.00 0.94 0.00 0.00 92 E 9.38 5.41 0.00 2.16 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 1.66 1.94 0.00 93 W 8.80 6.19 0.00 3.76 3.46 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 94 T 9.32 4.96 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 95 N 8.81 5.05 0.00 2.63 2.72 0.00 0.00 6.97 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 96 T 8.49 3.10 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 0.78 0.00 0.00 97 P 0.00 4.19 0.00 1.92 1.91 0.00 2.24 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 98 D 8.59 4.14 0.00 2.63 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 99 G 8.74 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 A 7.47 4.71 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 0.00 101 A 8.40 4.46 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 0.00 102 K 8.26 4.46 0.00 1.79 1.83 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.51 7.81 103 Q 7.71 4.46 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.70 0.00 0.00 0.00 0.00 0.00 2.18 2.32 0.00 104 F 8.85 3.58 0.00 2.74 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 0.00 105 R 5.84 3.80 0.00 0.67 1.25 0.00 3.08 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.09 0.00 106 R 7.65 3.50 0.00 1.65 1.88 0.00 3.08 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.50 0.00 107 E 7.62 3.91 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 108 W 7.23 4.78 0.00 3.15 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 F 7.82 5.02 0.00 3.07 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 0.00 110 Q 8.41 4.40 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 111 G 7.87 3.91 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 0.00 0.00 0.00 112 D 8.60 4.36 0.00 2.67 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 0.00 113 G 7.50 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 0.00 114 M 8.05 4.65 0.00 1.88 1.89 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 115 V 8.08 4.32 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 0.34 0.00 0.00 0.50 0.00 0.00 116 R 8.05 4.29 0.00 1.16 0.66 0.00 3.16 0.00 0.00 3.43 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.17 0.00 117 R 7.93 5.15 0.00 1.55 1.73 0.00 3.14 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.41 0.00 118 K 9.29 4.68 0.00 2.13 1.84 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.47 7.81 119 N 8.94 5.24 0.00 2.65 2.71 0.00 0.00 6.92 7.85 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 0.00 120 L 8.71 4.65 0.00 1.63 1.49 0.90 0.99 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 0.00 121 P 0.00 4.55 0.00 1.99 1.91 0.00 3.67 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 122 I 8.12 4.03 1.42 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.43 -0.79 0.00 0.00 123 E 8.48 4.49 0.00 1.87 1.62 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 0.00 2.19 2.24 0.00 124 Y 8.72 4.90 0.00 3.16 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 0.00 125 N 9.58 4.95 0.00 2.83 2.74 0.00 0.00 6.62 7.25 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 0.00 126 P 0.00 4.18 0.00 1.82 0.86 0.00 3.85 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.88 0.00