NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4364 8.3044 120.3258 55.4351 34.2390 175.9357 2 M 4.0077 7.7939 117.3932 54.6007 32.9236 174.1860 3 R 4.3128 8.4839 124.2289 56.3287 32.2376 175.8429 4 V 3.8333 9.2686 123.3111 62.6013 33.2395 174.1807 5 C 4.4936 8.3000 127.6844 57.6580 33.3399 171.8161 6 W 5.0939 8.8056 126.7288 54.7672 31.6480 174.5579 7 L 4.7941 9.2403 128.0184 54.2023 42.8812 175.1601 8 V 4.8192 8.8634 127.5615 60.7682 34.2177 174.4617 9 R 3.3677 8.8584 128.6924 56.2771 30.0849 176.7289 10 Q 3.8644 8.6043 129.8419 58.8976 29.1314 176.8605 11 D 4.7167 7.7222 113.8708 53.2615 40.2595 177.2777 12 S 4.6235 7.6201 114.8386 57.8224 63.4572 174.5743 13 R 4.2560 7.7576 116.5723 57.3134 29.8785 178.1788 14 H 4.2723 7.8103 115.4659 57.7767 29.2316 175.0181 15 Q 4.3399 8.1838 121.6884 55.4912 28.9504 174.5044 16 R 5.2149 8.4955 124.4635 54.2665 33.9167 175.0871 17 I 4.7224 9.0035 123.7056 59.3449 40.4650 175.1223 18 R 3.7853 8.7213 126.4917 55.9888 30.6202 176.0362 19 L 4.4854 8.2873 125.2789 52.1126 43.0865 174.9172 20 P 4.1752 0.0000 0.0000 62.0141 31.9778 175.6900 21 H 4.1798 8.8280 121.7443 57.9096 29.7588 174.3326 22 L 3.6122 8.9839 125.3601 55.3953 39.7407 173.6674 23 E 4.7759 7.7767 117.2837 54.1184 31.7939 175.9097 24 A 4.3270 8.6552 126.4408 51.9710 19.5124 176.6980 25 V 4.2487 9.0137 123.0186 61.0309 34.3774 174.2826 26 V 4.8817 8.4581 128.4358 61.3781 32.8088 174.6700 27 I 4.6438 8.4411 120.5988 58.6975 41.2670 174.8776 28 G 4.0289 7.9941 111.9285 45.9399 0.0000 174.1964 29 R 3.8741 8.6661 125.7578 54.8173 30.8298 177.1335 30 G 4.0060 7.2772 111.1758 45.0923 0.0000 170.5890 31 P 4.3421 0.0000 0.0000 65.5222 31.8637 177.7212 32 E 4.1190 8.3647 118.2265 59.4197 29.4582 178.0155 33 T 4.6686 7.7351 105.5015 60.8817 69.6437 175.5039 34 K 3.8782 8.0774 119.2707 56.8226 30.6602 175.5120 35 I 3.6859 7.4394 121.2477 61.4352 37.2492 176.6353 36 T 4.3938 8.0564 113.4120 61.0105 70.3159 173.6601 37 D 4.3555 7.8351 123.0396 54.6420 41.2517 176.9165 38 K 4.1955 8.6316 126.2842 58.6283 32.3449 178.4270 39 K 4.1160 8.3658 117.8584 58.2574 32.2699 176.6097 40 C 4.3999 7.6907 120.0582 57.9656 32.1704 173.2856 41 S 4.3454 8.9327 121.9385 57.9991 62.6859 175.1482 42 R 4.3007 8.4761 123.4749 58.0741 29.9849 177.0177 43 Q 4.4818 7.7387 116.5510 54.0246 29.0239 174.0928 44 Q 4.3788 8.2906 123.0162 57.3343 31.1419 175.1529 45 V 4.9523 8.0023 110.8752 59.4227 36.1904 174.3459 46 Q 5.0767 9.2338 124.7354 54.3492 31.5197 174.0853 47 L 5.2205 9.0611 126.3882 52.8966 45.0394 175.6604 48 K 4.8366 9.0458 122.4027 54.2685 35.2155 175.4129 49 A 4.3409 8.5236 127.6954 51.7153 20.1563 175.7363 50 E 4.5669 9.1092 123.6312 54.5969 30.2543 176.2952 51 C 4.4123 8.9221 125.1489 62.1593 28.9122 175.4771 52 N 4.4070 8.2448 116.4055 55.7199 38.3568 176.2652 53 K 4.0929 8.3076 115.5549 56.2127 32.7541 176.6258 54 G 2.6298 7.8931 106.7862 45.8669 0.0000 172.2753 55 Y 5.2922 6.9641 115.2701 55.3054 42.8067 173.8990 56 V 4.9452 9.0093 118.8086 60.8920 34.7513 174.5657 57 K 4.5500 9.3595 128.5717 56.4485 33.2621 176.0387 58 V 4.6707 9.1234 126.0577 61.0180 34.0308 173.9336 59 K 5.4159 8.8512 130.1962 53.8017 34.3899 174.7961 60 Q 4.3322 8.7064 129.3837 56.4194 29.4531 175.9965 61 V 3.8582 8.8140 127.4155 64.4299 32.8802 176.8042 62 G 3.8937 7.8893 107.8465 44.9268 0.0000 173.8535 63 V 3.7668 8.2694 119.5965 64.3958 31.8789 177.0986 64 N 4.5818 7.8645 116.6590 51.6338 39.3589 172.7279 65 P 4.6025 0.0000 0.0000 63.3540 32.7351 175.1372 66 T 5.1361 9.3045 122.0542 62.2511 70.5378 174.0354 67 S 5.1855 8.8642 118.8071 56.7076 67.5192 172.7175 68 I 4.7715 8.6120 121.5073 59.8810 40.0208 175.9273 69 D 4.5670 10.0577 129.8584 55.4169 38.8857 175.7437 70 S 4.1754 8.2940 110.7116 58.2945 62.6379 169.6815 71 V 3.9305 7.5882 122.3614 61.4873 31.3806 175.2877 72 V 4.1242 8.2205 127.8327 63.1697 32.1379 175.7601 73 I 3.8109 8.8482 129.5280 64.4507 37.5650 177.4178 74 G 3.9729 8.3112 106.6503 45.2023 0.0000 172.5683 75 K 4.2086 8.2609 122.8174 57.7177 32.5332 176.8940 76 D 4.5638 9.3504 124.6874 54.7686 39.8129 174.0822 77 Q 4.4687 7.7526 118.8441 55.2375 30.5999 174.4037 78 E 5.1877 8.5790 121.5291 54.5683 32.5469 175.0074 79 V 4.5321 8.8008 125.7297 60.9727 35.6486 174.1868 80 K 4.7614 8.5659 126.1220 55.7653 32.9222 175.9922 81 L 4.6413 9.3330 128.6453 54.4690 43.5201 175.5587 82 Q 5.2181 9.2880 124.5100 52.9540 32.9790 173.2961 83 P 4.4854 0.0000 0.0000 64.7513 31.7021 177.0390 84 G 4.0526 9.0904 110.8895 45.4071 0.0000 173.6620 85 Q 4.5589 7.5499 117.2982 54.4765 29.9710 175.0681 86 V 4.5024 8.8985 120.8961 61.1023 34.1768 174.0334 87 L 4.9204 9.1593 130.9750 54.4538 43.7393 174.6387 88 H 5.2190 9.0672 124.5278 54.5047 29.9171 175.7599 89 M 4.1116 8.9930 124.7151 58.3063 32.5006 176.8112 90 V 4.6983 8.1426 114.9802 61.9126 34.5817 173.0894 91 N 4.1974 9.3937 118.6420 54.9620 36.5560 174.1414 92 E 3.6126 8.3572 110.3434 57.2096 27.1207 174.5829 93 L 4.4491 7.4896 117.2437 53.6244 45.1941 174.2418 94 Y 3.9002 7.6077 118.0642 58.2371 34.2956 166.1670 95 P 5.0038 0.0000 0.0000 62.4512 33.5630 175.7214 96 Y 5.2179 9.4857 121.2554 56.0622 42.0072 174.5050 97 I 4.9817 8.8418 115.2733 59.2809 41.5933 174.2984 98 V 4.9643 8.3856 115.3986 59.7702 33.9946 175.2310 99 E 4.8352 8.9756 122.8799 54.5746 33.8703 174.5497 100 F 5.3489 9.0121 121.2832 55.8188 41.3287 174.4049 101 E 4.8773 9.3771 124.2301 53.9717 33.6224 175.4593 102 E 4.2188 8.8764 122.8851 56.8372 29.5615 176.9590 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 M 8.30 4.44 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 2 M 7.79 4.01 0.00 2.00 1.90 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 3 R 8.48 4.31 0.00 1.84 2.01 0.00 3.35 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 4 V 9.27 3.83 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 0.20 0.00 0.00 0.93 0.00 0.00 5 C 8.30 4.49 0.00 2.96 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 6 W 8.81 5.09 0.00 3.20 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 9.24 4.79 0.00 1.73 1.61 1.01 0.47 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 8 V 8.86 4.82 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 1.00 0.00 0.00 9 R 8.86 3.37 0.00 1.95 1.87 0.00 2.55 0.00 0.00 2.39 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 10 Q 8.60 3.86 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 11 D 7.72 4.72 0.00 2.78 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 12 S 7.62 4.62 0.00 3.81 3.67 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 13 R 7.76 4.26 0.00 1.86 1.94 0.00 3.00 0.00 0.00 3.12 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.43 0.00 14 H 7.81 4.27 0.00 3.14 3.35 0.00 5.71 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.18 4.34 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 16 R 8.50 5.21 0.00 1.66 1.94 0.00 2.90 0.00 0.00 2.75 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.60 0.00 17 I 9.00 4.72 1.93 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 1.30 0.78 0.91 0.00 0.00 18 R 8.72 3.79 0.00 1.45 1.55 0.00 2.96 0.00 0.00 2.91 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.55 0.00 19 L 8.29 4.49 0.00 1.33 1.53 0.86 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.18 0.00 2.12 1.91 0.00 3.55 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 2.05 1.98 0.00 21 H 8.83 4.18 0.00 3.02 3.24 0.00 6.08 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.98 3.61 0.00 1.64 1.63 0.83 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 23 E 7.78 4.78 0.00 1.80 1.80 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 2.20 2.38 0.00 24 A 8.66 4.33 1.21 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 0.00 0.00 25 V 9.01 4.25 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 0.72 0.00 0.00 0.94 0.00 0.00 26 V 8.46 4.88 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 0.86 0.00 0.00 0.91 0.00 0.00 27 I 8.44 4.64 1.78 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.64 0.85 0.00 0.00 28 G 7.99 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 0.00 0.00 0.00 29 R 8.67 3.87 0.00 1.78 1.78 0.00 3.22 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.79 0.00 30 G 7.28 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 0.00 0.00 0.00 31 P 0.00 4.34 0.00 2.19 2.19 0.00 3.76 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 32 E 8.36 4.12 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 33 T 7.74 4.67 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 1.19 0.00 0.00 34 K 8.08 3.88 0.00 1.97 1.96 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.41 7.81 35 I 7.44 3.69 1.68 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.74 0.34 0.00 0.00 36 T 8.06 4.39 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 1.24 0.00 0.00 37 D 7.84 4.36 0.00 2.75 2.59 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 38 K 8.63 4.20 0.00 1.80 1.86 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.46 7.81 39 K 8.37 4.12 0.00 1.90 1.91 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.65 1.56 7.81 40 C 7.69 4.40 0.00 2.99 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 41 S 8.93 4.35 0.00 3.90 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 42 R 8.48 4.30 0.00 1.83 1.97 0.00 3.25 0.00 0.00 2.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.60 0.00 43 Q 7.74 4.48 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.91 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 44 Q 8.29 4.38 0.00 2.36 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.82 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 45 V 8.00 4.95 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 0.71 0.00 0.00 0.85 0.00 0.00 46 Q 9.23 5.08 0.00 2.04 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 47 L 9.06 5.22 0.00 1.52 1.50 0.84 0.67 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 48 K 9.05 4.84 0.00 1.68 1.70 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.35 7.81 49 A 8.52 4.34 1.31 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 0.00 0.00 50 E 9.11 4.57 0.00 1.16 1.12 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 1.94 1.94 0.00 51 C 8.92 4.41 0.00 2.94 3.14 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 52 N 8.24 4.41 0.00 2.79 2.80 0.00 0.00 6.90 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 53 K 8.31 4.09 0.00 1.48 1.98 0.00 1.95 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.34 7.81 54 G 7.89 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 0.00 0.00 0.00 55 Y 6.96 5.29 0.00 3.14 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 56 V 9.01 4.95 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 0.82 0.00 0.00 1.02 0.00 0.00 57 K 9.36 4.55 0.00 1.97 1.97 0.00 2.05 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.58 1.75 7.81 58 V 9.12 4.67 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.02 0.00 0.00 59 K 8.85 5.42 0.00 1.85 1.64 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.36 7.81 60 Q 8.71 4.33 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.49 0.00 0.00 0.00 0.00 0.00 2.58 2.37 0.00 61 V 8.81 3.86 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 0.79 0.00 0.00 0.99 0.00 0.00 62 G 7.89 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 8.27 3.77 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 0.77 0.00 0.00 0.94 0.00 0.00 64 N 7.86 4.58 0.00 2.88 2.82 0.00 0.00 6.92 8.02 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 65 P 0.00 4.60 0.00 2.13 2.20 0.00 3.82 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 2.18 2.01 0.00 66 T 9.30 5.14 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 1.32 0.00 0.00 67 S 8.86 5.19 0.00 3.90 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 68 I 8.61 4.77 1.90 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 1.27 0.87 0.94 0.00 0.00 69 D 10.06 4.57 0.00 2.82 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 70 S 8.29 4.18 0.00 4.29 4.16 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 71 V 7.59 3.93 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 1.02 0.00 0.00 0.94 0.00 0.00 72 V 8.22 4.12 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 0.88 0.00 0.00 0.94 0.00 0.00 73 I 8.85 3.81 1.89 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 1.25 0.76 0.93 0.00 0.00 74 G 8.31 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.26 4.21 0.00 1.73 1.74 0.00 1.99 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.70 7.81 76 D 9.35 4.56 0.00 2.85 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 77 Q 7.75 4.47 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 78 E 8.58 5.19 0.00 1.93 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 2.19 2.32 0.00 79 V 8.80 4.53 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 0.92 0.00 0.00 0.93 0.00 0.00 80 K 8.57 4.76 0.00 1.49 1.49 0.00 1.32 0.00 0.00 0.61 0.00 0.00 2.26 0.00 0.00 2.36 0.00 0.00 0.00 0.00 1.11 1.23 7.81 81 L 9.33 4.64 0.00 1.79 1.78 0.98 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 9.29 5.22 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 83 P 0.00 4.49 0.00 2.11 2.12 0.00 3.77 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.27 0.00 84 G 9.09 4.05 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 0.00 0.00 0.00 85 Q 7.55 4.56 0.00 2.28 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.54 0.00 0.00 0.00 0.00 0.00 2.58 2.29 0.00 86 V 8.90 4.50 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 0.86 0.00 0.00 0.93 0.00 0.00 87 L 9.16 4.92 0.00 1.82 1.78 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 88 H 9.07 5.22 0.00 3.21 3.42 0.00 5.88 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 M 8.99 4.11 0.00 2.27 2.37 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.54 0.00 90 V 8.14 4.70 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 0.92 0.00 0.00 1.09 0.00 0.00 91 N 9.39 4.20 0.00 2.87 2.88 0.00 0.00 7.03 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.36 3.61 0.00 1.98 1.81 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 2.13 2.25 0.00 93 L 7.49 4.45 0.00 0.77 0.13 0.70 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.61 3.90 0.00 3.41 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 95 P 0.00 5.00 0.00 2.16 2.08 0.00 3.70 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 96 Y 9.49 5.22 0.00 2.85 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.84 4.98 1.91 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 1.23 1.32 1.00 0.00 0.00 98 V 8.39 4.96 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 0.73 0.00 0.00 1.05 0.00 0.00 99 E 8.98 4.84 0.00 1.92 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 2.28 0.00 100 F 9.01 5.35 0.00 2.94 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 0.00 101 E 9.38 4.88 0.00 2.18 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 2.30 2.33 0.00 102 E 8.88 4.22 0.00 2.05 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 2.36 2.35 0.00