NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4331 8.3349 115.4057 58.1662 64.1437 175.5731 4 V 4.2312 8.2133 111.3275 56.2139 33.7614 172.6311 5 P 4.1677 0.0000 0.0000 62.6387 32.1869 174.0563 6 P 5.1846 0.0000 0.0000 61.8110 32.2115 175.7910 7 G 4.1853 8.4184 106.9853 45.7316 0.0000 172.7828 8 D 5.4041 8.6760 119.8123 52.6316 41.5877 175.1387 9 I 4.7792 7.9987 111.8961 59.0865 40.8189 174.1479 10 N 5.1263 8.9056 120.2884 51.5880 41.6582 173.9413 11 T 5.6253 8.2108 111.6603 59.0370 72.8681 172.8711 12 Q 4.4685 8.2526 121.0463 53.4211 32.4376 173.6470 13 P 4.8857 0.0000 0.0000 62.7615 31.9688 175.7295 14 G 4.2706 7.9271 105.1603 45.4653 0.0000 172.4633 15 S 4.7984 8.0388 117.2645 59.1085 70.0800 175.3626 16 K 4.5208 7.7646 116.0909 56.9027 35.2449 174.3843 17 I 4.3860 8.1540 119.1894 60.1640 41.5514 173.7857 18 V 4.8543 8.3135 129.3414 61.3496 33.4239 174.5202 19 F 4.7848 9.4427 126.7571 55.9626 41.0414 174.3127 20 N 5.4036 9.3461 121.9571 51.8508 39.8953 175.2739 21 A 3.0495 8.3806 125.5267 50.5099 19.4968 175.0932 22 P 3.9455 0.0000 0.0000 62.1183 32.2100 176.7762 23 Y 4.8372 7.4357 119.4312 57.2358 36.5933 175.9247 24 D 4.8619 7.4452 114.1545 52.3100 40.8926 175.4781 25 D 4.6208 7.8215 115.8592 53.5333 44.2170 174.6140 26 K 4.8553 8.8570 126.3121 56.9996 32.7631 175.2610 27 H 4.7622 9.1020 127.8914 55.3147 32.1705 174.0328 28 T 4.8711 7.7657 120.4170 62.2363 70.5353 173.2508 29 Y 4.5831 9.1636 125.4244 57.2885 40.3290 174.1785 30 H 5.5262 8.7314 116.0995 54.4555 33.0359 173.4012 31 I 4.8670 8.9602 119.9327 59.6112 41.9925 174.1885 32 K 4.8694 8.8710 127.1549 54.8652 34.2978 174.6700 33 I 4.6635 8.7780 129.0143 59.9133 39.5284 174.9240 34 T 4.7663 8.4820 123.0213 61.6567 72.5753 173.0356 35 N 4.8511 9.0525 125.5142 53.1077 38.2269 175.0142 36 A 4.3320 8.5332 127.8584 53.5603 19.2232 177.6367 37 G 3.8501 8.5916 105.1026 45.3934 0.0000 173.5868 38 G 3.8170 8.5021 106.7852 46.0950 0.0000 174.0080 39 R 4.6067 7.5311 116.8188 53.6159 32.7813 175.0835 40 R 4.4765 8.1288 118.3999 57.2480 31.5102 175.5009 41 I 4.7659 8.5986 112.2970 59.9622 41.5771 173.8299 42 G 4.9267 9.7231 110.6610 44.3366 0.0000 171.9563 43 W 6.3000 9.4883 121.0163 55.1801 32.1484 173.9235 44 A 4.9822 9.8778 122.0067 50.8332 22.4687 175.0163 45 I 5.0843 8.5874 121.2058 59.6255 39.5293 175.4331 46 K 4.6883 9.2139 127.0061 55.0616 35.6415 175.5217 47 T 5.2712 8.3981 116.8532 59.7896 71.5535 173.8931 48 T 4.5119 8.4449 115.5121 63.7026 69.7542 175.0780 49 N 4.9356 7.9666 120.7392 51.8164 39.6477 174.1312 50 M 4.0374 8.2774 121.7433 57.9909 32.8284 178.5756 51 R 4.0025 8.1062 116.6881 59.2914 30.8876 177.8199 52 R 4.0067 8.2294 117.7106 58.7814 30.3281 176.5167 53 L 5.5260 7.1006 115.7938 53.6767 43.5036 175.9933 54 G 4.2621 8.2180 104.5989 45.5010 0.0000 172.5450 55 V 5.1322 8.1343 122.1706 59.6204 35.4857 174.0393 56 D 4.8175 7.9984 121.0569 53.3548 44.1057 174.0934 57 P 4.7735 0.0000 0.0000 62.2279 32.4445 174.4598 58 P 4.7664 0.0000 0.0000 64.0090 32.3916 175.6859 59 S 3.0493 7.0549 111.3260 57.3315 65.1952 175.1149 60 G 3.6365 5.4229 107.3477 45.9272 0.0000 171.6949 61 V 5.2286 8.5717 119.0517 61.0732 34.2016 175.2609 62 L 5.1426 8.9418 126.4119 53.1836 45.5626 176.9138 63 D 5.0257 10.5131 124.7319 53.2910 42.5478 174.0852 64 P 4.4530 0.0000 0.0000 63.9416 32.2819 177.2541 65 S 3.8751 8.9905 114.9598 59.0709 61.7729 171.4523 66 E 4.5148 7.7032 121.8354 55.8350 30.8748 175.1602 67 K 5.2101 8.2734 121.0819 55.5655 35.9593 175.3994 68 V 4.5224 9.0358 119.9774 60.0521 35.5031 174.0495 69 L 5.0855 8.5698 123.8782 53.8020 43.5403 175.0852 70 M 4.7402 9.0471 124.5610 53.4506 34.1859 174.6325 71 A 4.9531 8.6564 122.6583 50.4760 21.2316 175.9757 72 V 4.6168 8.6580 123.4040 61.9681 33.6201 175.0969 73 S 5.5273 8.9908 122.6855 57.1450 66.9046 172.9926 74 C 4.9771 8.9902 121.9203 58.1976 34.4229 173.2788 75 D 5.1627 8.7292 126.6109 53.5728 42.0559 175.6578 76 T 4.3513 8.5706 111.5884 62.3923 69.4582 174.2934 77 F 4.7864 7.5012 114.4843 57.3550 41.6415 173.7047 78 N 4.7952 8.7425 110.7169 51.2440 38.5559 175.8087 79 A 4.0526 7.8944 122.5276 53.7530 19.3960 178.6503 80 A 4.3321 8.2263 118.5115 54.0569 19.5030 179.1292 81 T 4.1600 8.7025 105.8938 64.3213 69.5006 175.5834 82 E 4.1407 7.8093 121.1875 54.8766 30.2514 176.2714 83 D 4.5338 8.2181 120.2826 54.5379 41.8360 175.9978 84 L 4.8574 8.2737 121.6415 54.4950 43.8312 176.7179 85 N 4.8474 9.2651 115.9782 53.4947 39.2510 175.1836 86 N 5.0192 8.1057 115.4964 52.9556 39.5489 173.6493 87 D 5.0003 7.9083 116.9847 53.1817 43.2511 175.5827 88 R 4.6703 8.2346 119.8173 55.3359 34.5875 173.4910 89 I 4.8058 9.5430 124.6909 59.5943 40.4951 173.9535 90 C 5.1772 9.7484 129.0103 57.7021 33.8764 172.2243 91 I 5.1133 9.0057 127.4737 59.7040 39.5507 174.3014 92 E 5.7523 9.5753 127.2775 54.4830 32.5534 175.2662 93 W 6.3000 9.3506 119.8507 56.3596 32.3682 173.2279 94 T 4.7271 8.4613 113.9362 60.7737 70.8197 172.3490 95 N 5.1662 8.8579 121.9295 52.8267 40.0384 174.4149 96 T 4.1477 7.8599 109.8709 58.6128 71.4330 172.6750 97 P 4.1985 0.0000 0.0000 63.8315 31.8256 178.3241 98 D 4.3752 8.1607 122.8484 56.8708 41.3016 177.5682 99 G 4.0213 7.8670 107.0336 43.1956 0.0000 171.1861 100 A 4.7717 7.9886 125.8714 50.5785 21.9343 176.1986 101 A 4.6723 8.2863 122.3077 50.2143 20.5937 178.2729 102 K 4.2269 8.6044 121.7291 56.7254 30.4258 175.3692 103 Q 4.4459 8.1941 118.0532 54.8357 31.7575 173.4840 104 F 4.6482 9.2404 128.4753 58.5859 40.1477 174.5230 105 R 3.6150 5.8400 125.2487 53.6041 31.7094 175.7193 106 R 3.7508 8.0442 124.5031 59.5919 30.6049 177.9087 107 E 4.2072 8.0382 118.1923 58.8973 29.1281 179.3064 108 W 4.6136 7.7585 117.4544 59.9881 29.0881 178.3061 109 F 4.1877 8.4700 116.9914 60.4613 38.8561 177.4771 110 Q 4.2796 8.4183 117.3087 60.6936 28.6592 177.4240 111 G 4.3721 8.0819 105.5802 45.0487 0.0000 172.0420 112 D 4.8382 9.3675 121.7503 53.7216 43.8127 177.5715 113 G 4.4203 7.2943 119.4914 46.5754 0.0000 174.2975 114 M 4.7523 8.4552 121.7642 52.9844 35.4260 174.2260 115 V 4.2557 8.0786 121.3045 61.1146 34.6003 174.3170 116 R 4.2127 8.3313 128.3779 54.6878 31.8121 175.0106 117 R 5.3684 8.1469 123.1395 54.3501 33.9121 174.6509 118 K 4.7942 9.8526 123.5251 54.8432 35.7895 174.3269 119 N 5.4748 8.9714 124.0365 51.5484 40.7858 174.1388 120 L 4.7295 9.0855 124.1226 52.3064 44.3754 174.0336 121 P 4.4867 0.0000 0.0000 62.2061 33.3592 175.0204 122 I 4.5406 7.6842 122.9933 60.2193 38.4866 174.6960 123 E 4.4715 9.1087 128.7123 54.6019 31.6002 174.0885 124 Y 5.1068 8.5834 125.3529 57.2877 39.2567 174.3900 125 N 4.9161 10.1109 124.8065 51.9873 40.8337 174.9424 126 L 4.2828 8.5878 125.3504 54.9665 41.9928 176.5405 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 4.43 0.00 3.95 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 4 V 8.21 4.23 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 0.74 0.00 0.00 0.91 0.00 0.00 5 P 0.00 4.17 0.00 2.14 2.04 0.00 3.74 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 1.96 0.00 6 P 0.00 5.18 0.00 2.12 2.16 0.00 2.97 0.00 0.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 7 G 8.42 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 8 D 8.68 5.40 0.00 2.87 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 9 I 8.00 4.78 1.36 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.07 0.37 0.00 0.00 10 N 8.91 5.13 0.00 2.48 2.63 0.00 0.00 6.88 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 11 T 8.21 5.63 4.33 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 1.08 0.00 0.00 12 Q 8.25 4.47 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.88 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 13 P 0.00 4.89 0.00 2.22 2.07 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.87 0.00 14 G 7.93 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 15 S 8.04 4.80 0.00 3.70 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 16 K 7.76 4.52 0.00 1.76 1.75 0.00 1.57 0.00 0.00 1.72 0.00 0.00 2.68 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.25 1.37 7.81 17 I 8.15 4.39 1.82 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.14 1.02 0.00 0.00 18 V 8.31 4.85 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 1.03 0.00 0.00 0.93 0.00 0.00 19 F 9.44 4.78 0.00 2.94 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 20 N 9.35 5.40 0.00 2.68 2.77 0.00 0.00 7.05 7.02 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 21 A 8.38 3.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 3.95 0.00 2.11 1.90 0.00 3.64 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 1.90 1.91 0.00 23 Y 7.44 4.84 0.00 2.49 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 0.00 0.00 0.00 0.00 24 D 7.45 4.86 0.00 2.70 2.66 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 25 D 7.82 4.62 0.00 2.70 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.86 4.86 0.00 1.89 1.80 0.00 1.69 0.00 0.00 2.33 0.00 0.00 2.73 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.38 7.81 27 H 9.10 4.76 0.00 3.47 3.42 0.00 5.86 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 7.77 4.87 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 1.26 0.00 0.00 29 Y 9.16 4.58 0.00 2.69 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 30 H 8.73 5.53 0.00 2.93 3.17 0.00 5.84 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.96 4.87 1.77 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 1.08 0.69 0.85 0.00 0.00 32 K 8.87 4.87 0.00 1.74 1.56 0.00 1.55 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.33 7.81 33 I 8.78 4.66 1.27 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.16 0.39 0.00 0.00 34 T 8.48 4.77 4.13 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 1.13 0.00 0.00 35 N 9.05 4.85 0.00 2.75 2.79 0.00 0.00 6.74 7.73 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 36 A 8.53 4.33 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.59 3.85 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 0.00 0.00 0.00 38 G 8.50 3.82 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 0.00 0.00 0.00 39 R 7.53 4.61 0.00 1.77 1.82 0.00 3.21 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 40 R 8.13 4.48 0.00 1.72 1.81 0.00 3.08 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.76 0.00 41 I 8.60 4.77 2.27 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.94 1.13 0.00 0.00 42 G 9.72 4.93 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 43 W 9.49 6.30 0.00 3.57 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 A 9.88 4.98 0.63 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 45 I 8.59 5.08 2.12 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.08 0.97 0.00 0.00 46 K 9.21 4.69 0.00 1.74 1.60 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.35 7.81 47 T 8.40 5.27 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 1.22 0.00 0.00 48 T 8.44 4.51 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 49 N 7.97 4.94 0.00 2.60 2.53 0.00 0.00 7.14 7.67 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 50 M 8.28 4.04 0.00 2.03 2.12 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 2.60 2.51 0.00 51 R 8.11 4.00 0.00 1.95 1.95 0.00 3.17 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 52 R 8.23 4.01 0.00 1.76 1.74 0.00 2.68 0.00 0.00 2.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.29 0.00 53 L 7.10 5.53 0.00 1.56 1.62 0.78 0.60 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 54 G 8.22 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 0.00 0.00 0.00 0.00 55 V 8.13 5.13 2.13 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 1.01 0.00 0.00 0.97 0.00 0.00 56 D 8.00 4.82 0.00 2.85 2.50 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 0.00 57 P 0.00 4.77 0.00 2.30 2.09 0.00 3.93 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.12 0.00 58 P 0.00 4.77 0.00 2.00 2.11 0.00 3.59 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 2.05 2.07 0.00 59 S 7.05 3.05 0.00 2.72 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 60 G 5.42 3.64 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 0.00 0.00 0.00 61 V 8.57 5.23 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 0.99 0.00 0.00 1.23 0.00 0.00 62 L 8.94 5.14 0.00 1.81 1.56 1.43 0.74 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 63 D 10.51 5.03 0.00 2.68 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 64 P 0.00 4.45 0.00 2.22 2.32 0.00 3.83 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 2.06 2.15 0.00 65 S 8.99 3.88 0.00 4.00 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 0.00 66 E 7.70 4.51 0.00 2.11 1.92 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 2.33 2.28 0.00 67 K 8.27 5.21 0.00 1.71 1.64 0.00 1.54 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.41 7.81 68 V 9.04 4.52 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 0.42 0.00 0.00 1.00 0.00 0.00 69 L 8.57 5.09 0.00 1.60 1.60 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 70 M 9.05 4.74 0.00 1.96 2.30 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 71 A 8.66 4.95 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 72 V 8.66 4.62 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 1.25 0.00 0.00 0.98 0.00 0.00 73 S 8.99 5.53 0.00 3.89 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 74 C 8.99 4.98 0.00 3.61 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 0.00 75 D 8.73 5.16 0.00 2.82 2.66 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 76 T 8.57 4.35 4.31 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 1.29 0.00 0.00 77 F 7.50 4.79 0.00 3.29 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 N 8.74 4.80 0.00 2.72 2.74 0.00 0.00 6.77 8.15 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 79 A 7.89 4.05 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 80 A 8.23 4.33 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 81 T 8.70 4.16 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 82 E 7.81 4.14 0.00 1.79 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 2.33 2.39 0.00 83 D 8.22 4.53 0.00 2.60 2.51 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 84 L 8.27 4.86 0.00 1.74 1.68 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 85 N 9.27 4.85 0.00 2.67 2.87 0.00 0.00 6.72 8.16 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 86 N 8.11 5.02 0.00 2.66 2.77 0.00 0.00 6.89 8.06 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 87 D 7.91 5.00 0.00 2.54 2.43 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 88 R 8.23 4.67 0.00 1.82 1.69 0.00 3.03 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 89 I 9.54 4.81 2.00 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 1.12 0.49 0.91 0.00 0.00 90 C 9.75 5.18 0.00 2.92 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 91 I 9.01 5.11 2.08 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 1.25 0.50 0.95 0.00 0.00 92 E 9.58 5.75 0.00 2.14 2.13 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 2.37 2.34 0.00 93 W 9.35 6.30 0.00 3.77 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 8.46 4.73 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 0.39 0.00 0.00 95 N 8.86 5.17 0.00 2.66 2.65 0.00 0.00 7.22 7.05 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 96 T 7.86 4.15 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 -0.24 0.00 0.00 97 P 0.00 4.20 0.00 2.17 2.08 0.00 3.00 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.25 0.00 98 D 8.16 4.38 0.00 2.67 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 99 G 7.87 4.02 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 0.00 0.00 0.00 100 A 7.99 4.77 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 4.67 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 0.00 102 K 8.60 4.23 0.00 1.82 1.89 0.00 1.84 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.50 7.81 103 Q 8.19 4.45 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.91 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 104 F 9.24 4.65 0.00 2.97 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 0.00 105 R 5.84 3.62 0.00 0.67 0.66 0.00 2.97 0.00 0.00 2.80 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.96 0.00 106 R 8.04 3.75 0.00 1.89 1.86 0.00 3.31 0.00 0.00 3.36 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 107 E 8.04 4.21 0.00 1.73 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 2.28 2.38 0.00 108 W 7.76 4.61 0.00 3.32 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 0.00 109 F 8.47 4.19 0.00 3.21 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 0.00 110 Q 8.42 4.28 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 111 G 8.08 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 0.00 112 D 9.37 4.84 0.00 2.57 2.55 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 0.00 113 G 7.29 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 0.00 0.00 0.00 0.00 114 M 8.46 4.75 0.00 1.84 1.84 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 2.43 2.41 0.00 115 V 8.08 4.26 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 0.84 0.00 0.00 1.01 0.00 0.00 116 R 8.33 4.21 0.00 0.67 0.66 0.00 2.71 0.00 0.00 2.90 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.20 0.00 117 R 8.15 5.37 0.00 1.69 1.84 0.00 3.23 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 118 K 9.85 4.79 0.00 2.07 1.73 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.49 7.81 119 N 8.97 5.47 0.00 2.65 2.72 0.00 0.00 6.86 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 9.09 4.73 0.00 1.49 1.55 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.49 0.00 2.07 2.13 0.00 3.86 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 122 I 7.68 4.54 1.50 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 0.79 0.11 -0.37 0.00 0.00 123 E 9.11 4.47 0.00 1.94 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 2.23 2.25 0.00 124 Y 8.58 5.11 0.00 3.00 3.01 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 0.00 125 N 10.11 4.92 0.00 2.93 2.91 0.00 0.00 6.70 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 0.00 126 L 8.59 4.28 0.00 1.72 1.58 1.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00