NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4406 8.2893 120.3513 54.8655 33.4654 174.1180 2 E 5.2993 7.4768 121.2193 55.5522 31.0891 174.5328 3 A 4.5467 8.5691 124.9860 50.2167 22.0360 177.4527 4 K 4.6990 8.8616 121.4557 54.7518 34.1209 174.9060 5 A 4.3658 8.2344 120.3007 50.8729 20.5051 174.7752 6 I 2.9362 7.8755 119.4362 61.3412 35.5761 173.9872 7 A 4.4327 8.4939 128.2041 50.0926 19.7604 175.6720 8 R 3.8668 8.1190 120.2367 57.0854 31.5592 176.3750 9 Y 3.9526 8.2047 114.3873 58.4147 35.2328 171.4560 10 V 3.4024 8.5099 121.8131 65.7522 32.6532 176.1614 11 R 4.0374 8.8346 117.0009 55.0047 26.8584 174.0561 12 I 4.0130 6.8805 114.1941 59.7179 42.2413 173.6402 13 S 4.1819 8.2242 122.0243 57.7398 62.7053 172.2462 14 P 4.3828 0.0000 0.0000 65.1577 30.7859 179.0225 15 R 3.8795 7.7452 116.6499 59.4219 30.3903 178.4778 16 K 4.0901 7.7567 118.0296 59.8866 32.0983 179.7468 17 V 3.7240 7.8038 111.6536 63.9237 31.7259 178.4350 18 R 3.9520 8.3573 118.4208 59.8010 29.6227 178.3220 19 L 3.9891 7.3647 117.3684 57.8849 41.9430 179.3040 20 V 3.7828 7.8189 111.4577 64.6312 31.5917 178.6717 21 V 3.5817 8.2020 118.0561 66.2739 31.2942 177.7264 22 D 4.6177 8.3400 116.9229 56.3561 40.8026 177.7669 23 L 4.3151 7.6854 120.0539 56.0359 42.3691 176.5119 24 I 4.5291 8.0424 109.0069 59.9937 38.9644 175.3969 25 R 3.6472 8.3102 121.2656 58.2550 30.1839 175.8417 26 G 4.5521 8.6895 113.6426 45.7642 0.0000 171.7929 27 K 4.7190 7.4364 120.4220 53.9004 37.0611 175.8921 28 S 4.4845 8.6407 115.8514 58.6504 64.2380 174.8797 29 L 3.9397 8.4333 127.3476 58.4039 41.5203 178.6908 30 E 3.9187 8.3388 118.6146 59.4549 29.2901 178.4365 31 E 4.2690 8.2579 119.9038 58.6811 29.8426 178.0963 32 A 3.9999 8.0307 120.8754 55.7883 18.2671 179.2255 33 R 3.8269 7.9270 115.7733 59.9417 30.2802 178.4990 34 N 4.3398 7.9085 115.1460 57.6196 38.6666 176.8501 35 I 3.4163 8.3626 117.6132 65.1237 37.1647 177.5613 36 L 3.8715 8.2716 121.6189 57.7856 41.8762 179.6047 37 R 3.8218 8.0054 117.6399 58.7951 29.7619 176.3693 38 Y 4.7701 8.6454 115.3492 57.7299 39.2394 174.8403 39 T 4.3566 7.9054 118.1055 62.1602 69.2785 174.0924 40 N 4.8161 8.6080 126.1227 52.7667 37.6719 173.4916 41 K 4.3890 7.8161 122.6938 54.7636 35.9875 175.8698 42 R 4.3240 8.3914 118.4451 58.4046 30.3119 177.8947 43 G 3.9082 8.4248 105.1230 48.8463 0.0000 174.2841 44 A 3.6258 8.3164 117.9287 55.4213 17.9282 178.2217 45 Y 3.6258 7.9999 117.4687 60.2325 39.2600 178.5830 46 F 4.3228 7.3535 118.3394 59.8942 39.4390 177.9914 47 V 3.6634 8.6358 118.0649 65.9095 31.2671 177.4022 48 A 3.9992 9.7615 120.3899 54.2176 17.5648 180.1771 49 K 4.1799 6.0578 118.8605 57.7234 34.0373 177.2600 50 V 3.4812 8.0453 118.5100 65.3364 31.0077 177.6868 51 L 3.9336 8.3275 120.9183 57.5979 42.0982 179.2521 52 E 3.9124 8.3516 119.1828 59.2390 29.4779 178.8249 53 S 4.0585 8.5169 113.4649 61.1516 62.4882 175.5799 54 A 3.9295 8.1325 122.8784 55.9029 17.7145 178.5411 55 A 3.8810 7.8702 117.1438 55.7594 18.5414 179.5976 56 A 3.5592 8.4847 114.3268 55.0667 18.7560 179.4180 57 N 4.0487 9.0623 112.3740 56.3244 38.7889 177.4459 58 A 3.9199 8.5555 122.1275 54.6650 18.7503 178.8912 59 V 3.6118 8.8904 117.2868 64.4029 30.6643 178.3045 60 N 4.0081 8.1336 115.5398 56.4378 40.5519 173.3438 61 N 4.6663 8.5605 116.4357 54.3654 39.8463 175.5606 62 H 4.7306 8.1518 112.2854 54.9283 29.6883 174.4805 63 D 4.3159 7.6607 114.7238 54.8816 37.7273 172.8722 64 M 4.2958 8.1498 124.7481 54.6720 34.6837 172.3561 65 L 3.4915 7.4098 126.3452 54.6213 39.8427 174.3008 66 E 3.5991 7.8855 124.0133 58.9170 30.8094 178.8566 67 D 4.5231 7.8777 120.4332 57.4338 41.3916 178.4876 68 R 4.3054 8.3000 116.3347 56.3772 30.8329 175.9427 69 L 5.7926 8.5446 119.8445 54.6746 42.9020 175.2582 70 Y 4.7857 8.4625 118.0660 56.7284 41.7501 174.7724 71 V 4.0954 8.4595 113.9348 60.8669 30.6739 177.0789 72 K 3.3390 7.6366 126.0605 58.0402 32.3837 175.4121 73 A 4.4731 7.7618 118.2973 51.6410 23.1216 174.2976 74 A 5.0335 7.9950 118.4667 51.9451 22.1352 174.9438 75 Y 4.8251 8.7211 117.2579 56.7559 41.9092 173.0188 76 V 4.8013 8.4073 118.1059 60.1287 34.5163 174.4261 77 D 5.0631 8.6128 122.3393 52.0110 44.5506 175.1282 78 E 4.1993 8.8624 122.1958 56.6326 30.5206 176.0720 79 G 4.3052 8.5765 113.7804 43.3557 0.0000 170.3896 80 P 4.4452 0.0000 0.0000 62.2128 31.7194 176.0231 81 A 4.3599 8.3910 125.2096 51.5894 19.7807 176.4502 82 L 4.4832 8.6069 120.8131 53.1094 43.1948 176.3429 83 K 4.7102 8.5537 124.0371 56.2423 33.1458 176.9270 84 R 4.7158 9.0862 122.1048 54.5446 34.8903 174.3468 85 V 4.4744 8.3669 122.0268 62.0954 33.0380 174.9801 86 L 4.6323 9.2267 130.0778 52.3801 44.4659 173.5855 87 P 4.4759 0.0000 0.0000 63.3963 31.8886 175.9498 88 R 4.7068 8.6102 124.4895 53.8451 33.0451 175.1365 89 A 4.1612 8.5200 126.3389 54.0403 18.7288 177.6537 90 R 3.7966 8.8295 119.8527 57.8990 27.1963 176.3047 91 G 4.0244 8.1964 101.4831 46.6937 0.0000 175.6806 92 R 3.7888 8.0729 119.6717 57.8327 30.5932 173.2207 93 A 3.8276 8.1664 125.9098 52.0023 18.1810 175.6507 94 D 5.1576 8.8357 121.5874 52.5457 45.5813 175.2007 95 I 4.6545 8.1847 113.3848 59.4363 38.8200 174.9975 96 I 4.0844 9.2610 129.6834 60.2276 39.5610 174.8905 97 K 4.7794 8.4540 128.3147 54.6167 33.0643 176.4355 98 K 4.2052 8.9975 126.4343 56.0651 31.8324 177.4248 99 R 4.5820 8.3514 124.6986 56.3681 32.1021 175.2288 100 T 4.8207 8.0781 110.7700 60.8936 71.2521 172.5778 101 S 5.0408 8.6680 121.3168 57.1849 67.4624 172.8192 102 H 4.8882 9.0632 120.1267 54.1137 29.8594 171.9080 103 I 4.3115 8.1300 123.3655 60.7195 38.3576 174.7918 104 T 4.8811 8.5161 124.4453 61.7199 71.0814 173.9606 105 V 4.8498 8.1981 124.3669 61.2906 35.5468 173.4151 106 I 5.5229 8.9193 121.2259 58.0299 40.0419 175.4341 107 L 4.9113 7.9185 127.1115 54.1063 43.5900 175.6233 108 G 4.1832 7.9566 104.9181 45.8438 0.0000 172.1532 109 E 4.6699 8.7926 120.0212 55.2795 30.1474 176.5022 110 K 3.6102 9.6608 127.9473 57.9046 32.8335 177.6011 111 H 4.7929 7.0623 114.1670 54.9598 31.5893 173.7549 112 G 4.0845 7.9882 104.6683 45.9601 0.0000 174.3043 113 K 4.2035 8.4743 126.3822 54.5926 32.1515 175.8720 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 8.29 4.44 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.62 0.00 2 E 7.48 5.30 0.00 2.12 1.87 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 2.01 2.35 0.00 3 A 8.57 4.55 1.16 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 0.00 0.00 4 K 8.86 4.70 0.00 1.63 1.75 0.00 1.78 0.00 0.00 0.89 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.26 7.81 5 A 8.23 4.37 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 6 I 7.88 2.94 1.78 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 1.29 0.43 0.75 0.00 0.00 7 A 8.49 4.43 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 8 R 8.12 3.87 0.00 1.22 0.86 0.00 2.82 0.00 0.00 2.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.30 0.00 9 Y 8.20 3.95 0.00 3.08 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 10 V 8.51 3.40 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 -0.14 0.00 0.00 0.85 0.00 0.00 11 R 8.83 4.04 0.00 1.81 2.22 0.00 3.49 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 1.43 1.48 0.00 12 I 6.88 4.01 1.83 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.79 0.78 0.00 0.00 13 S 8.22 4.18 0.00 3.90 3.72 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 14 P 0.00 4.38 0.00 2.18 2.03 0.00 3.96 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.02 0.00 15 R 7.75 3.88 0.00 1.79 2.03 0.00 3.23 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 16 K 7.76 4.09 0.00 2.07 1.91 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.51 7.81 17 V 7.80 3.72 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 0.93 0.00 0.00 0.98 0.00 0.00 18 R 8.36 3.95 0.00 1.99 2.05 0.00 3.15 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 19 L 7.36 3.99 0.00 1.98 1.72 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.82 3.78 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 0.86 0.00 0.00 1.05 0.00 0.00 21 V 8.20 3.58 2.28 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 1.08 0.00 0.00 0.97 0.00 0.00 22 D 8.34 4.62 0.00 2.66 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 23 L 7.69 4.32 0.00 1.85 1.83 0.94 1.02 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 24 I 8.04 4.53 1.89 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 1.20 1.01 0.93 0.00 0.00 25 R 8.31 3.65 0.00 1.80 1.95 0.00 3.39 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 26 G 8.69 4.55 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 0.00 0.00 0.00 27 K 7.44 4.72 0.00 1.93 1.71 0.00 1.71 0.00 0.00 1.90 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.77 7.81 28 S 8.64 4.48 0.00 4.09 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 29 L 8.43 3.94 0.00 1.84 1.76 0.93 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.34 3.92 0.00 2.09 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 2.41 2.41 0.00 31 E 8.26 4.27 0.00 2.06 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 0.00 2.34 2.21 0.00 32 A 8.03 4.00 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 33 R 7.93 3.83 0.00 2.06 2.00 0.00 3.16 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.02 0.00 34 N 7.91 4.34 0.00 2.80 3.01 0.00 0.00 7.12 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 35 I 8.36 3.42 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 1.57 1.01 0.95 0.00 0.00 36 L 8.27 3.87 0.00 1.66 1.74 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.01 3.82 0.00 1.74 2.10 0.00 2.82 0.00 0.00 3.00 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.50 0.00 38 Y 8.65 4.77 0.00 2.89 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 39 T 7.91 4.36 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 1.24 0.00 0.00 40 N 8.61 4.82 0.00 2.70 2.79 0.00 0.00 7.07 6.68 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 41 K 7.82 4.39 0.00 1.75 1.70 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.34 7.81 42 R 8.39 4.32 0.00 1.90 1.99 0.00 3.30 0.00 0.00 3.54 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 43 G 8.42 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 44 A 8.32 3.63 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 45 Y 8.00 3.63 0.00 2.85 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 46 F 7.35 4.32 0.00 3.14 2.93 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 47 V 8.64 3.66 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 1.02 0.00 0.00 0.98 0.00 0.00 48 A 9.76 4.00 1.11 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 0.00 0.00 49 K 6.06 4.18 0.00 1.24 1.73 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.37 1.41 7.81 50 V 8.05 3.48 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 0.90 0.00 0.00 0.91 0.00 0.00 51 L 8.33 3.93 0.00 1.73 2.11 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.35 3.91 0.00 2.07 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 2.28 2.34 0.00 53 S 8.52 4.06 0.00 3.86 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 54 A 8.13 3.93 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 55 A 7.87 3.88 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 56 A 8.48 3.56 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 57 N 9.06 4.05 0.00 2.94 2.92 0.00 0.00 7.05 8.24 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 58 A 8.56 3.92 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 59 V 8.89 3.61 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 0.99 0.00 0.00 0.94 0.00 0.00 60 N 8.13 4.01 0.00 2.77 2.81 0.00 0.00 6.84 7.79 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 61 N 8.56 4.67 0.00 2.92 2.71 0.00 0.00 6.89 8.19 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 62 H 8.15 4.73 0.00 3.19 3.29 0.00 5.99 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.66 4.32 0.00 2.88 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 64 M 8.15 4.30 0.00 2.01 2.23 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.45 0.00 65 L 7.41 3.49 0.00 1.86 1.74 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.89 3.60 0.00 2.06 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 2.40 2.41 0.00 67 D 7.88 4.52 0.00 2.71 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 68 R 8.30 4.31 0.00 1.88 1.94 0.00 3.08 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 69 L 8.54 5.79 0.00 1.84 1.89 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 8.46 4.79 0.00 3.24 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 71 V 8.46 4.10 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 0.87 0.00 0.00 0.99 0.00 0.00 72 K 7.64 3.34 0.00 1.53 1.88 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.43 7.81 73 A 7.76 4.47 1.03 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 74 A 7.99 5.03 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 75 Y 8.72 4.83 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 76 V 8.41 4.80 2.05 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 0.77 0.00 0.00 0.92 0.00 0.00 77 D 8.61 5.06 0.00 2.49 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 78 E 8.86 4.20 0.00 1.94 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 2.28 2.35 0.00 79 G 8.58 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 0.00 0.00 0.00 0.00 80 P 0.00 4.45 0.00 2.10 2.05 0.00 3.91 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 1.73 1.67 0.00 81 A 8.39 4.36 1.22 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 82 L 8.61 4.48 0.00 1.61 1.58 0.91 1.41 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 83 K 8.55 4.71 0.00 1.62 1.72 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.45 7.81 84 R 9.09 4.72 0.00 1.62 1.74 0.00 3.26 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 85 V 8.37 4.47 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 0.80 0.00 0.00 0.92 0.00 0.00 86 L 9.23 4.63 0.00 1.71 1.49 0.92 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.48 0.00 1.97 2.01 0.00 3.69 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 2.03 2.09 0.00 88 R 8.61 4.71 0.00 1.98 1.75 0.00 3.24 0.00 0.00 3.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.66 0.00 89 A 8.52 4.16 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 90 R 8.83 3.80 0.00 1.99 2.08 0.00 3.36 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 91 G 8.20 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 92 R 8.07 3.79 0.00 1.99 1.95 0.00 3.42 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 93 A 8.17 3.83 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 94 D 8.84 5.16 0.00 2.58 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 95 I 8.18 4.65 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.62 0.90 0.00 0.00 96 I 9.26 4.08 1.87 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 1.22 1.44 0.93 0.00 0.00 97 K 8.45 4.78 0.00 1.65 1.74 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.43 7.81 98 K 9.00 4.21 0.00 1.76 1.77 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.56 7.81 99 R 8.35 4.58 0.00 1.72 2.02 0.00 3.44 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.57 0.00 100 T 8.08 4.82 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 1.27 0.00 0.00 101 S 8.67 5.04 0.00 3.68 3.62 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 0.00 0.00 0.00 102 H 9.06 4.89 0.00 3.04 3.00 0.00 5.62 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 0.00 103 I 8.13 4.31 1.82 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.59 0.90 0.00 0.00 104 T 8.52 4.88 3.69 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 1.34 0.00 0.00 105 V 8.20 4.85 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 0.99 0.00 0.00 0.95 0.00 0.00 106 I 8.92 5.52 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.96 0.93 0.00 0.00 107 L 7.92 4.91 0.00 1.61 1.60 0.90 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 108 G 7.96 4.18 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 0.00 109 E 8.79 4.67 0.00 1.92 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 2.32 2.34 0.00 110 K 9.66 3.61 0.00 1.56 1.70 0.00 0.93 0.00 0.00 0.77 0.00 0.00 2.88 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.28 1.32 7.81 111 H 7.06 4.79 0.00 3.22 3.15 0.00 5.63 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.99 4.08 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 0.00 0.00 0.00 113 K 8.47 4.20 0.00 1.77 1.56 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.27 0.97 7.81