NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.7535 8.4449 116.3165 55.0703 29.8631 172.8892 3 L 4.1908 8.1972 121.5553 52.9873 42.4302 176.1317 4 T 4.3416 9.5460 114.5425 60.2790 72.3079 173.9315 5 P 4.1950 0.0000 0.0000 65.9342 31.1793 178.8226 6 E 3.9893 8.0995 116.7371 59.4253 29.3644 179.1085 7 E 3.9272 8.0986 118.3096 59.1687 29.4369 179.5240 8 K 3.8542 8.2003 118.6336 59.6113 32.0927 179.4283 9 S 4.0911 8.0853 115.0891 61.7047 62.7421 176.7953 10 A 3.9963 8.2956 123.5986 54.9439 18.0825 179.8551 11 V 3.4934 7.9491 116.9465 66.4728 31.7160 178.4080 12 T 3.9386 8.1096 115.3037 66.5645 68.0684 176.4982 13 A 4.0367 8.0221 121.5841 55.2368 18.7800 179.2014 14 L 3.8934 8.0860 118.9345 57.9172 42.1732 178.9264 15 W 4.4438 8.8823 128.4938 60.0575 30.4201 178.0903 16 G 3.7975 8.1207 104.6047 46.8397 0.0000 174.6875 17 K 4.4360 7.7400 118.3458 55.3659 32.9506 176.4645 18 V 3.6308 7.0209 120.3330 61.8527 32.2358 175.8361 19 N 4.4978 8.1283 125.2753 52.2233 38.8034 175.5794 20 V 3.4652 8.0219 128.1022 66.0147 31.7851 177.2364 21 D 4.3323 8.0663 118.0319 57.2707 40.7277 178.1546 22 E 3.8324 8.4130 119.6233 59.4690 29.6583 179.1085 23 V 3.5980 7.9282 118.4841 65.6379 31.4030 178.2290 24 G 3.6780 8.4463 106.0433 47.7973 0.0000 175.9049 25 G 3.5935 8.1401 108.8249 47.3099 0.0000 175.3939 26 E 3.8819 8.2047 121.5238 58.9542 29.6396 178.8309 27 A 3.9448 8.3328 121.3248 54.9878 18.4401 179.4241 28 L 3.9696 8.2628 119.3448 58.0849 42.1795 179.4354 29 G 3.5332 8.1695 105.7592 47.9282 0.0000 175.9195 30 R 3.8946 8.3137 121.0991 58.6225 29.9983 178.8818 31 L 3.9993 7.9836 120.3286 58.3253 42.0137 179.1841 32 L 4.0825 7.8668 119.8877 56.5659 41.2143 179.6931 33 V 3.5558 7.3358 117.8296 65.8097 31.7356 177.9785 34 V 3.5089 7.7818 116.8749 64.3343 32.7445 175.5791 35 Y 3.6988 7.1843 116.2233 54.2106 37.8458 174.1803 36 P 4.6105 0.0000 0.0000 64.2142 31.9345 178.2557 37 W 4.3941 8.1278 116.5196 58.9806 27.6280 177.4153 38 T 4.3148 7.7594 110.5164 63.5102 68.3274 175.9856 39 Q 4.4420 8.2586 121.7005 57.9868 28.5033 177.9533 40 R 3.6890 7.5251 116.0832 58.8122 29.2617 177.6345 41 F 4.1501 7.3061 114.5342 57.9763 39.4779 175.5819 42 F 4.4716 7.6200 120.9245 56.8064 39.4890 177.3545 43 E 4.1172 8.3282 122.1477 59.1069 29.5291 178.4763 44 S 4.5087 8.0855 111.1766 59.4502 63.5815 174.6551 45 F 4.4610 8.3680 119.5712 58.2423 39.7270 176.6813 46 G 3.9718 8.0978 106.7922 44.6055 0.0000 173.9063 47 D 4.5247 8.5777 124.6504 54.3715 41.3334 176.0790 48 L 4.9401 8.2836 127.7763 54.5284 43.0761 178.1489 49 S 4.3049 8.9294 117.0051 60.7462 63.4159 174.3417 50 T 4.7336 7.4418 109.9513 58.1474 73.0716 172.7039 51 P 4.1938 0.0000 0.0000 66.1076 31.3545 178.6931 52 D 4.3252 8.0930 116.6984 57.2511 40.5121 178.6434 53 A 3.9832 8.0798 120.7755 55.0024 18.7287 179.5610 54 V 3.6839 8.0855 117.0943 66.5944 31.4474 178.2821 55 M 4.1948 8.0720 117.1629 57.8756 31.8684 178.1681 56 G 3.9418 7.9453 103.3512 44.0409 0.0000 173.2776 57 N 4.4714 7.5384 121.4438 52.5410 39.3912 173.8779 58 P 4.2224 0.0000 0.0000 65.9015 31.2783 178.7000 59 K 3.6772 8.2870 118.4129 58.8431 31.7530 179.4747 60 V 3.6910 7.9190 118.1073 66.0500 31.4933 178.0253 61 K 3.8967 8.2289 118.0796 59.3977 31.9802 179.1416 62 A 3.9667 8.1703 121.1408 55.5530 18.2399 179.2442 63 H 4.4089 8.6291 116.9870 59.1699 29.8330 177.7500 64 G 3.5744 8.4070 108.0005 47.7092 0.0000 175.7981 65 K 3.9856 8.3642 121.4037 58.9332 32.0793 179.3911 66 K 3.9552 7.9879 119.5750 59.5074 32.1990 179.1018 67 V 3.6235 7.9213 118.6684 66.1054 31.5177 177.8088 68 L 4.3117 8.4197 120.2438 57.6574 41.8455 179.0436 69 G 3.7461 8.3593 106.0182 47.7700 0.0000 175.5649 70 A 4.0990 8.0580 122.9691 54.6900 18.1953 179.2717 71 F 4.0599 8.3332 118.2492 61.6055 39.7826 176.8126 72 S 4.1682 8.8461 112.9229 61.8538 62.3681 175.9516 73 D 4.5121 8.4922 121.5052 57.3430 40.5592 179.0788 74 G 3.6018 8.1088 105.8801 47.1446 0.0000 175.1209 75 L 3.9380 7.3720 119.2557 56.0635 41.6776 178.0078 76 A 4.2429 7.5219 119.6719 52.6700 19.5602 176.7423 77 H 4.9073 7.8404 115.1234 54.9436 29.6523 175.8476 78 L 3.8716 7.9436 120.1650 57.6226 41.8743 178.3060 79 D 4.6847 7.9143 115.9204 54.4972 41.2249 176.4303 80 N 4.9725 8.1578 119.0953 51.2512 39.6172 175.8843 81 L 4.1446 7.9934 121.4040 57.7664 42.0718 179.1634 82 K 4.0754 8.1195 118.1576 59.5472 31.8498 179.3816 83 G 3.6802 7.9845 105.2181 47.6785 0.0000 175.4119 84 T 3.8154 7.9287 117.2812 65.3192 68.6517 175.8633 85 F 4.7067 8.0663 117.1832 56.9255 39.2943 177.2265 86 A 4.0384 7.6790 123.0094 55.9989 18.2290 180.5478 87 T 3.8871 7.8501 113.3798 66.6790 68.4999 176.9774 88 L 4.1660 7.9723 120.5981 57.4607 41.6928 179.2766 89 S 4.4298 8.5368 115.0450 61.1105 62.3768 176.0461 90 E 3.9180 8.3569 121.2981 59.2230 29.1702 179.2447 91 L 3.8961 8.0707 120.3031 58.6105 42.2167 178.8286 92 H 4.1865 8.6627 116.4018 58.7710 28.2024 177.2275 93 C 3.4891 7.6668 120.7125 62.2170 31.1752 175.3789 94 D 4.1578 8.0583 119.9007 56.4314 40.5220 177.3844 95 K 4.3046 7.7732 116.8485 57.5322 33.7481 177.4463 96 L 4.1683 7.7030 116.0126 54.9369 42.2714 176.0340 97 H 4.0358 7.1031 114.4691 56.6040 26.6395 175.4192 98 V 3.9864 7.9135 119.1131 61.1269 31.9005 174.9030 99 D 4.3864 8.8793 127.4339 54.0510 41.5875 175.4369 100 P 3.4099 0.0000 0.0000 64.6056 31.8585 177.9204 101 E 3.8890 8.4902 119.3027 59.3408 29.2304 178.4159 102 N 4.2890 7.9770 116.4538 56.2899 38.4979 177.2948 103 F 4.4451 7.4375 119.1851 60.4132 38.8603 177.9666 104 R 4.0406 7.8075 117.5282 59.0239 29.9546 178.7629 105 L 3.7845 7.9464 118.8826 57.6115 41.5759 179.3186 106 L 4.0670 8.3005 120.6865 58.0350 42.0331 179.2323 107 G 3.7353 8.2346 105.8150 47.8204 0.0000 175.4867 108 N 4.4360 8.4425 118.9264 56.1741 38.4984 177.7087 109 V 3.6429 8.1830 119.9770 65.7527 31.5494 177.7733 110 L 3.8582 8.4327 120.5896 58.0834 41.8426 179.1071 111 V 3.5365 7.9047 118.0762 66.3061 31.4223 177.7328 112 C 4.0631 7.9829 116.2537 62.8120 27.9501 176.3966 113 V 3.5183 8.0078 120.0607 65.9287 31.1493 178.1104 114 L 3.9086 8.0808 118.9691 57.4624 41.3272 179.3632 115 A 3.7708 7.4405 120.8357 55.2992 18.1227 179.1601 116 H 4.1066 8.1366 115.7764 59.6183 30.0131 176.7283 117 H 3.9395 8.3538 119.0242 58.9802 30.0318 176.6459 118 F 4.5209 8.7146 118.3207 57.1281 39.5901 177.1558 119 G 3.7961 8.7894 108.4741 45.9434 0.0000 177.1938 120 K 3.9882 8.9183 121.6735 59.4544 32.4569 178.0248 121 E 4.0394 7.9932 119.6486 58.7659 30.0081 177.1614 122 F 4.5279 8.1676 123.0609 57.0453 37.8832 174.8400 123 T 4.2090 7.3198 116.0929 60.0688 71.3468 173.5959 124 P 4.1402 0.0000 0.0000 65.5203 31.2919 177.2062 125 P 4.1843 0.0000 0.0000 65.4333 31.1724 178.8976 126 V 3.5343 7.4541 117.0317 65.8071 31.4348 177.7874 127 Q 3.4222 7.9185 119.4228 58.9841 28.9092 177.9954 128 A 3.9788 8.1317 121.6961 55.2014 18.3786 179.3387 129 A 3.8746 7.9387 118.9842 55.7788 18.5264 179.5562 130 Y 3.8941 8.3996 115.3135 61.1482 37.8207 178.7236 131 Q 4.1463 8.8675 119.4744 59.0760 28.8000 179.1549 132 K 3.9376 8.0313 119.2465 59.4010 31.9964 179.5818 133 V 3.4940 7.6330 118.3615 66.2196 31.5043 178.6260 134 V 3.8198 8.5564 112.2766 64.2197 31.2641 178.5220 135 A 4.1399 8.4983 121.2377 54.8396 18.1413 179.8460 136 G 3.5248 8.4603 104.7728 47.9563 0.0000 176.0949 137 V 3.2813 7.9561 120.9788 65.3474 31.5518 177.7915 138 A 3.8748 7.8190 120.4339 55.4672 18.0367 179.4240 139 N 4.3130 8.2242 113.5534 56.3230 38.7543 177.2943 140 A 4.1580 8.1669 122.4043 55.1675 18.2059 179.7055 141 L 3.9030 8.3276 117.2860 56.9573 41.6267 178.6188 142 A 4.3739 7.9312 119.5312 52.9792 18.8310 178.5458 143 H 4.2180 7.9398 116.8263 58.5605 30.0877 176.0208 144 K 4.4634 8.2850 116.7314 56.2017 32.1005 176.4182 145 Y 4.1739 7.9101 117.2704 58.6385 38.4036 175.8467 146 H 4.4166 8.3437 116.9169 56.3153 28.0880 173.4889 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 2 H 8.44 4.75 0.00 3.18 3.35 0.00 5.49 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.20 4.19 0.00 1.68 1.59 0.85 0.52 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 4 T 9.55 4.34 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 1.26 0.00 0.00 5 P 0.00 4.19 0.00 2.16 2.13 0.00 3.58 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 2.09 2.16 0.00 6 E 8.10 3.99 0.00 2.04 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 2.39 2.45 0.00 7 E 8.10 3.93 0.00 2.27 1.94 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 2.30 2.33 0.00 8 K 8.20 3.85 0.00 1.92 1.80 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.55 7.81 9 S 8.09 4.09 0.00 4.03 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 10 A 8.30 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 11 V 7.95 3.49 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 0.60 0.00 0.00 0.46 0.00 0.00 12 T 8.11 3.94 4.38 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 0.00 0.00 0.00 1.25 0.00 0.00 13 A 8.02 4.04 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 14 L 8.09 3.89 0.00 1.96 1.93 0.14 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.88 4.44 0.00 3.81 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 16 G 8.12 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 17 K 7.74 4.44 0.00 2.14 2.10 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.64 7.81 18 V 7.02 3.63 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 -0.14 0.00 0.00 0.69 0.00 0.00 19 N 8.13 4.50 0.00 2.68 2.56 0.00 0.00 6.84 7.71 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 20 V 8.02 3.47 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 1.31 0.00 0.00 0.95 0.00 0.00 21 D 8.07 4.33 0.00 2.70 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 22 E 8.41 3.83 0.00 1.97 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 0.00 2.18 2.23 0.00 23 V 7.93 3.60 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 0.91 0.00 0.00 0.66 0.00 0.00 24 G 8.45 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 25 G 8.14 3.59 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 0.00 0.00 0.00 26 E 8.20 3.88 0.00 2.15 2.07 0.00 0.00 0.00 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 2.31 0.00 27 A 8.33 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 28 L 8.26 3.97 0.00 1.79 1.62 0.92 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.17 3.53 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 0.00 0.00 0.00 30 R 8.31 3.89 0.00 1.87 1.92 0.00 3.07 0.00 0.00 3.02 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 31 L 7.98 4.00 0.00 1.89 1.85 1.02 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.87 4.08 0.00 1.84 1.67 0.91 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.34 3.56 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 0.71 0.00 0.00 0.94 0.00 0.00 34 V 7.78 3.51 1.51 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 -0.05 0.00 0.00 0.74 0.00 0.00 35 Y 7.18 3.70 0.00 2.61 1.43 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 36 P 0.00 4.61 0.00 2.33 2.30 0.00 3.76 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.89 0.00 37 W 8.13 4.39 0.00 3.54 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 38 T 7.76 4.31 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 39 Q 8.26 4.44 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 40 R 7.53 3.69 0.00 1.63 1.99 0.00 3.00 0.00 0.00 2.72 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.50 0.00 41 F 7.31 4.15 0.00 1.51 2.34 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 42 F 7.62 4.47 0.00 2.85 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 0.00 0.00 0.00 0.00 43 E 8.33 4.12 0.00 1.96 2.03 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 2.28 2.23 0.00 44 S 8.09 4.51 0.00 4.13 4.10 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 45 F 8.37 4.46 0.00 3.29 3.18 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 46 G 8.10 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 47 D 8.58 4.52 0.00 2.65 2.62 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 48 L 8.28 4.94 0.00 1.65 1.62 1.05 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.93 4.30 0.00 3.96 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 50 T 7.44 4.73 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 1.21 0.00 0.00 51 P 0.00 4.19 0.00 2.15 2.11 0.00 3.58 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 2.09 2.16 0.00 52 D 8.09 4.33 0.00 2.67 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 53 A 8.08 3.98 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 54 V 8.09 3.68 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 1.05 0.00 0.00 0.96 0.00 0.00 55 M 8.07 4.19 0.00 2.00 2.09 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 2.60 2.89 0.00 56 G 7.95 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 0.00 0.00 0.00 57 N 7.54 4.47 0.00 2.98 2.83 0.00 0.00 6.84 8.12 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 58 P 0.00 4.22 0.00 2.24 2.26 0.00 3.72 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 59 K 8.29 3.68 0.00 1.64 0.74 0.00 1.68 0.00 0.00 1.22 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.13 1.24 7.81 60 V 7.92 3.69 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 1.14 0.00 0.00 1.02 0.00 0.00 61 K 8.23 3.90 0.00 1.95 1.82 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.60 7.81 62 A 8.17 3.97 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 63 H 8.63 4.41 0.00 3.60 3.48 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.41 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 65 K 8.36 3.99 0.00 1.99 1.99 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.70 7.81 66 K 7.99 3.96 0.00 1.92 2.00 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.52 7.81 67 V 7.92 3.62 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 0.98 0.00 0.00 0.89 0.00 0.00 68 L 8.42 4.31 0.00 1.93 1.78 0.78 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.36 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 70 A 8.06 4.10 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 71 F 8.33 4.06 0.00 3.16 3.42 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 72 S 8.85 4.17 0.00 4.57 4.30 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 73 D 8.49 4.51 0.00 2.88 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 74 G 8.11 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 75 L 7.37 3.94 0.00 1.43 1.42 -0.42 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.52 4.24 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 0.00 0.00 0.00 0.00 0.00 77 H 7.84 4.91 0.00 3.16 3.14 0.00 5.63 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.94 3.87 0.00 1.55 1.65 0.78 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.91 4.68 0.00 2.63 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 80 N 8.16 4.97 0.00 2.70 2.62 0.00 0.00 7.19 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 81 L 7.99 4.14 0.00 1.76 1.83 0.85 1.02 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 82 K 8.12 4.08 0.00 1.76 1.84 0.00 1.55 0.00 0.00 1.38 0.00 0.00 2.75 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.46 7.81 83 G 7.98 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 84 T 7.93 3.82 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 0.60 0.00 0.00 85 F 8.07 4.71 0.00 3.19 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 86 A 7.68 4.04 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 87 T 7.85 3.89 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 88 L 7.97 4.17 0.00 2.04 1.87 1.18 0.95 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 89 S 8.54 4.43 0.00 4.16 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 0.00 90 E 8.36 3.92 0.00 2.06 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 2.34 2.61 0.00 91 L 8.07 3.90 0.00 1.78 1.85 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.66 4.19 0.00 3.73 3.80 0.00 5.86 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.67 3.49 0.00 1.23 2.35 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 94 D 8.06 4.16 0.00 2.73 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 95 K 7.77 4.30 0.00 1.78 1.78 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.49 7.81 96 L 7.70 4.17 0.00 1.68 1.61 0.68 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.10 4.04 0.00 3.43 3.44 0.00 5.64 0.00 0.00 0.00 0.00 8.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.91 3.99 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 0.19 0.00 0.00 0.43 0.00 0.00 99 D 8.88 4.39 0.00 2.78 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 0.00 100 P 0.00 3.41 0.00 1.96 1.91 0.00 3.39 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.51 0.00 101 E 8.49 3.89 0.00 2.02 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 2.40 0.00 102 N 7.98 4.29 0.00 2.44 2.74 0.00 0.00 6.94 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 0.00 103 F 7.44 4.45 0.00 3.11 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 0.00 104 R 7.81 4.04 0.00 1.97 1.97 0.00 3.23 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 105 L 7.95 3.78 0.00 1.69 1.31 0.76 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.30 4.07 0.00 1.79 1.72 0.91 1.21 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 0.00 107 G 8.23 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.44 4.44 0.00 2.92 2.96 0.00 0.00 6.63 7.29 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 0.00 109 V 8.18 3.64 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 1.09 0.00 0.00 1.12 0.00 0.00 110 L 8.43 3.86 0.00 1.72 1.78 0.92 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.90 3.54 2.32 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 1.37 0.00 0.00 1.18 0.00 0.00 112 C 7.98 4.06 0.00 3.17 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 0.00 113 V 8.01 3.52 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 0.75 0.00 0.00 0.88 0.00 0.00 114 L 8.08 3.91 0.00 1.01 1.04 0.63 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.44 3.77 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 0.00 116 H 8.14 4.11 0.00 3.13 3.41 0.00 5.78 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.35 3.94 0.00 2.84 2.92 0.00 5.99 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.71 4.52 0.00 3.29 3.09 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 0.00 0.00 0.00 119 G 8.79 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 0.00 120 K 8.92 3.99 0.00 1.91 2.01 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.48 7.81 121 E 7.99 4.04 0.00 2.04 2.32 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 2.29 2.27 0.00 122 F 8.17 4.53 0.00 3.08 3.18 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 0.00 123 T 7.32 4.21 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 1.29 0.00 0.00 124 P 0.00 4.14 0.00 2.15 2.14 0.00 3.57 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 2.11 2.19 0.00 125 P 0.00 4.18 0.00 2.11 2.07 0.00 3.48 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 126 V 7.45 3.53 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 1.05 0.00 0.00 0.90 0.00 0.00 127 Q 7.92 3.42 0.00 1.63 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 128 A 8.13 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 0.00 129 A 7.94 3.87 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 0.00 130 Y 8.40 3.89 0.00 3.34 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 0.00 131 Q 8.87 4.15 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.74 2.64 0.00 132 K 8.03 3.94 0.00 1.99 1.83 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.57 7.81 133 V 7.63 3.49 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 0.94 0.00 0.00 0.72 0.00 0.00 134 V 8.56 3.82 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 1.02 0.00 0.00 1.14 0.00 0.00 135 A 8.50 4.14 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 136 G 8.46 3.52 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 0.00 0.00 0.00 0.00 137 V 7.96 3.28 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 0.34 0.00 0.00 0.68 0.00 0.00 138 A 7.82 3.87 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.22 4.31 0.00 2.86 2.89 0.00 0.00 7.08 7.80 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 0.00 140 A 8.17 4.16 1.43 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 0.00 0.00 141 L 8.33 3.90 0.00 0.76 0.65 -0.07 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.93 4.37 1.26 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 0.00 143 H 7.94 4.22 0.00 3.30 3.50 0.00 5.74 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.29 4.46 0.00 1.86 1.85 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.74 7.81 145 Y 7.91 4.17 0.00 3.09 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 0.00 146 H 8.34 4.42 0.00 3.22 3.25 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00