NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6265 8.3229 119.5540 52.9317 41.5933 176.6969 2 M 3.9158 8.9825 122.9948 56.2989 31.6525 173.6151 3 K 4.3010 8.3047 120.7239 55.6228 33.2314 180.4526 4 A 4.2490 8.0226 121.8951 55.9459 18.1283 180.3425 5 L 4.0380 7.9481 123.4307 60.4961 41.2519 184.3210 6 Q 4.3895 8.3173 123.7513 60.5808 27.6879 181.9616 7 K 4.2151 7.9203 123.2966 60.0691 31.7212 183.0279 8 E 4.2018 7.8419 120.3688 58.8755 29.5065 178.8087 9 L 4.0363 8.5624 119.4455 57.9264 41.8684 179.1722 10 E 3.8964 8.2021 119.1706 59.1836 29.4876 178.9804 11 Q 3.9969 7.9134 118.4405 58.7161 28.8514 178.1104 12 F 4.2840 8.5012 121.5683 61.5338 39.6320 176.7919 13 A 3.8640 8.3428 120.5795 55.2282 18.0282 179.8492 14 K 3.8815 7.8980 116.3705 59.4720 32.0727 179.2750 15 L 3.9481 7.8862 120.6512 57.9461 41.8871 178.7701 16 L 3.8451 8.0350 120.5036 57.9545 41.9478 178.8544 17 K 4.1560 7.8336 122.8092 59.7493 32.2738 179.0980 18 Q 4.0310 8.0708 120.9363 60.2514 27.8952 180.7693 19 K 4.1750 8.4245 121.6704 59.3731 32.3939 178.5847 20 R 4.3794 8.4753 119.5163 60.0079 29.8675 178.4194 21 I 3.7933 8.0917 119.1604 64.7741 37.0186 178.4039 22 T 3.9165 7.5710 114.6704 66.7494 68.4394 176.0709 23 L 4.3353 8.1466 118.2168 55.2154 41.8595 178.1140 24 G 3.8810 8.0557 107.1677 45.7016 0.0000 173.1928 25 Y 4.3251 7.8686 117.4412 57.3990 38.7758 176.4690 26 T 4.3962 8.9871 115.4216 61.0837 71.6654 175.9760 27 Q 3.8921 8.4540 118.6656 58.7213 28.7255 178.1962 28 A 3.9845 8.0468 121.4195 55.4453 18.3547 179.0094 29 D 4.3954 7.9060 116.6260 57.6686 40.8518 179.4358 30 V 3.1814 7.5120 118.0480 65.9168 31.4786 178.2541 31 G 4.2216 8.0490 106.8196 47.2044 0.0000 175.3208 32 L 4.1372 8.1821 122.8364 57.8025 42.0590 178.1410 33 T 4.3030 7.8705 107.5665 62.3689 68.9222 176.4079 34 L 4.3012 7.8876 123.7581 57.6951 42.1005 178.7610 35 G 3.9954 8.2152 105.3787 48.2262 0.0000 175.4974 36 V 3.5934 7.5963 119.5617 65.2818 31.5866 177.4079 37 L 4.0356 7.2502 117.1853 55.8562 41.9613 177.9843 38 F 5.0292 8.8059 115.5372 56.4276 40.9070 176.2652 39 G 4.0046 8.6809 105.5598 44.8155 0.0000 173.4961 40 K 4.2643 7.6206 119.9399 54.0781 34.1061 175.8196 41 V 4.1002 8.1861 126.6460 61.8098 32.3225 175.4962 42 F 5.1028 9.1540 122.1756 55.6374 42.5944 175.1745 43 S 4.7968 8.7056 116.0821 57.7021 64.6835 175.0639 44 Q 3.9617 8.9195 119.2730 60.0198 28.0175 178.7026 45 T 4.1038 8.0361 117.7294 66.6336 68.3986 175.9849 46 T 3.8783 7.8303 116.8456 66.9949 68.4852 176.6813 47 I 3.6517 7.7868 121.4213 64.2880 36.7234 178.4718 48 S 4.0709 8.9693 115.1650 61.5630 62.2829 176.5345 49 R 3.9271 8.2693 120.9781 59.1203 29.6449 178.7831 50 F 3.9714 8.5746 120.8788 61.3811 39.0202 177.0713 51 E 4.0524 8.8600 117.9263 58.1842 28.8933 178.0689 52 A 4.5110 7.1287 118.5639 50.1854 20.5007 176.6581 53 L 3.3149 7.0416 117.7198 56.6712 39.5722 174.8859 54 Q 4.2743 8.3883 117.5020 56.2903 30.2079 175.2419 55 L 4.4889 7.4213 116.8994 53.6526 43.2462 176.9436 56 S 4.2791 8.2823 115.2288 58.5781 64.8685 175.3283 57 L 3.9350 8.4903 123.3940 57.8345 41.2662 179.9411 58 K 4.0191 7.9176 119.1056 59.5028 32.4365 178.1285 59 N 4.2879 8.1231 117.3586 57.0998 38.7467 176.4614 60 M 4.3096 8.2659 120.0387 58.8730 31.8406 178.9606 61 S 4.2083 7.5992 112.6111 61.1450 63.1034 176.5130 62 K 4.1002 7.6934 120.5614 59.3794 32.1027 179.0185 63 L 3.8826 7.8679 118.8382 57.1845 41.5235 178.9877 64 R 3.8684 8.2007 119.4499 59.2578 29.9343 176.4383 65 P 4.1796 0.0000 0.0000 65.9175 31.0102 178.2469 66 L 3.1130 7.5217 118.3608 57.3241 41.4987 179.4873 67 L 4.1958 7.7791 120.8982 58.2907 41.5783 179.5571 68 E 4.2466 8.7199 118.6903 61.5272 29.5373 181.3459 69 K 4.2352 8.1348 119.6144 58.9045 32.0986 179.3205 70 W 4.0667 8.4128 128.6370 60.4045 30.4736 177.9615 71 V 3.4198 8.4823 120.6981 66.8801 30.7307 178.3922 72 E 4.0702 8.2162 116.5381 61.1375 29.8961 180.5711 73 E 4.1857 8.3587 119.5125 59.1878 29.4810 178.9479 74 A 3.9646 7.4679 118.2453 53.6824 18.3251 178.7701 75 D 4.3952 7.3984 115.6611 56.3044 41.1225 175.6089 76 N 4.8173 7.8890 113.6675 54.9285 41.3571 176.0533 77 N 4.6595 7.8677 111.7081 53.8670 38.7314 176.6852 78 E 4.0987 8.3654 126.6488 60.6622 29.4396 179.9654 79 N 4.4696 8.0831 118.4895 57.4232 37.6552 178.7574 80 L 4.4786 7.7157 120.5320 56.6823 42.3186 178.4479 81 Q 4.2567 8.1402 119.5807 59.5854 29.0440 177.7121 82 E 4.5417 7.8872 117.6988 59.5212 30.2581 180.0953 83 I 4.4200 7.3451 118.8278 64.5872 35.8768 183.9570 84 S 4.6026 8.0289 120.5996 63.1435 62.9573 180.2110 85 K 4.9101 7.2526 124.2814 54.1544 35.3987 179.2839 86 S 4.4646 8.3380 115.4664 58.2691 64.1828 174.5900 *90 V 3.8284 7.9734 123.1549 64.5978 31.7652 175.5306 91 Q 4.4588 8.3196 121.0399 54.5936 31.3821 168.5497 92 A 4.6776 8.3525 126.0326 51.5467 23.7331 175.5418 93 R 4.5623 8.6507 116.6695 53.7344 32.2600 176.6256 94 K 4.7300 7.7685 129.3924 54.3814 33.6392 173.8263 95 R 4.2892 7.6718 122.0711 55.8410 30.8046 174.8654 96 K 4.2756 8.3200 125.9910 53.9179 32.7207 175.3416 97 R 4.4184 8.0848 119.9339 55.2122 31.9418 174.9686 98 T 3.8596 8.6154 123.4900 63.6955 68.3358 174.7486 99 S 4.5431 8.4773 123.2161 56.5389 62.7108 173.8680 100 I 3.9782 8.1760 122.1422 60.6870 38.5875 177.2857 101 E 4.2659 8.7044 124.3637 58.8166 31.6208 177.9442 102 N 4.7256 8.8473 122.5356 58.6608 37.6024 179.5887 103 R 4.2492 7.9605 122.0318 61.3839 29.5903 181.3876 104 V 3.8339 7.8170 122.5901 65.9079 31.6802 178.4154 105 R 3.8610 7.9278 120.3469 61.3760 29.1831 180.3940 106 W 4.5074 8.3074 129.3231 60.3848 30.5312 178.1269 107 S 4.2617 8.3854 114.8728 59.8886 61.9082 175.9457 108 L 3.6911 8.1261 123.6108 57.2651 41.2125 178.7225 109 E 3.9192 8.0802 117.8604 59.0466 29.4326 179.0769 110 T 3.7289 7.3008 116.3765 66.6006 68.4721 177.4061 111 M 4.4195 7.3366 117.6078 54.9131 31.2927 175.7166 112 F 4.5770 8.9990 121.1312 57.7197 43.0986 174.8185 113 L 4.3179 8.4330 134.5214 54.0923 40.8645 176.1640 114 K 4.0464 7.7115 122.6278 58.5029 33.0262 178.7751 115 S 4.2946 7.6445 117.8774 56.0920 64.2018 171.9921 116 P 3.8980 0.0000 0.0000 64.4185 31.5616 177.0778 117 K 4.5787 7.4328 117.5675 53.0570 31.9311 172.9457 118 P 4.0376 0.0000 0.0000 65.9017 32.1256 178.4797 119 S 4.3981 7.8212 112.3784 59.0860 60.7643 172.7028 120 L 4.0115 8.4308 126.6125 60.6576 40.5037 181.4713 121 Q 4.1175 7.9734 120.9853 60.4480 28.0769 180.7088 122 Q 4.2029 8.0262 122.4510 59.2165 28.4913 179.5413 123 I 3.7994 7.1329 123.0348 65.4667 35.2028 181.6147 124 T 4.3119 7.7331 116.7721 67.3754 68.3877 181.6095 *125 H 4.3634 8.0701 121.4899 59.8588 28.0425 179.6828 126 I 3.9777 7.5940 122.6663 63.6687 36.7395 178.4667 127 A 4.0402 7.7876 123.1998 56.0042 18.1781 180.1240 128 N 4.3099 8.0375 117.1587 57.3928 37.5549 178.9714 129 Q 4.1772 7.6538 120.6320 59.0321 29.2890 177.7787 130 L 4.4451 7.6722 116.4723 53.4552 42.3120 176.7356 131 G 3.9992 7.7785 106.7377 46.6524 0.0000 174.0348 132 L 4.8484 8.1063 116.7338 52.0545 45.5933 177.1382 133 E 4.1076 8.6813 121.0768 56.5064 29.9283 178.5742 134 K 4.1554 8.6197 121.6180 59.3924 32.6152 179.2537 135 D 4.3811 8.0389 120.5520 57.4560 40.9141 178.0709 136 V 3.6620 7.4220 117.9393 66.2730 31.3496 178.1956 137 V 3.7299 7.8394 116.9715 66.1316 31.4949 177.6692 138 R 4.0710 7.7783 117.7201 59.5654 30.0231 179.0177 139 V 3.6427 8.0112 117.6288 65.8038 31.4573 177.6740 140 W 3.9801 8.7412 128.3155 60.7719 30.3826 178.0500 141 F 4.5879 9.2709 120.0118 60.8221 38.2717 178.7211 142 S 4.2790 8.2075 118.8552 63.3665 62.2902 180.4861 143 N 4.3325 8.4379 120.9361 56.2465 38.1826 177.3973 144 R 3.2546 7.5704 120.0903 59.2881 29.5701 178.7300 145 R 4.1228 7.5707 117.7023 59.3763 30.1661 179.0842 146 Q 4.0514 8.0945 120.3883 59.4186 28.4791 179.3111 147 K 4.0049 7.8260 123.9993 60.4112 31.6744 180.2630 148 G 3.8738 7.9662 107.1307 48.2391 0.0000 175.5337 149 K 4.0207 7.9906 132.9662 59.2027 32.2605 180.3027 150 R 4.4956 7.6023 122.8213 59.2968 29.5970 181.4230 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 D 8.32 4.63 0.00 2.62 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 2 M 8.98 3.92 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.17 0.00 3 K 8.30 4.30 0.00 1.67 1.83 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.00 7.81 4 A 8.02 4.25 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 5 L 7.95 4.04 0.00 1.67 1.68 0.92 0.88 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 6 Q 8.32 4.39 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.01 0.00 7 K 7.92 4.22 0.00 1.78 1.84 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.31 7.81 8 E 7.84 4.20 0.00 2.05 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 0.00 2.34 2.36 0.00 9 L 8.56 4.04 0.00 1.73 1.64 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.20 3.90 0.00 2.24 1.95 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 2.30 2.22 0.00 11 Q 7.91 4.00 0.00 2.46 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.23 0.00 12 F 8.50 4.28 0.00 3.14 3.29 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 13 A 8.34 3.86 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 14 K 7.90 3.88 0.00 2.16 1.85 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.31 7.81 15 L 7.89 3.95 0.00 1.79 1.84 0.97 0.59 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 16 L 8.03 3.85 0.00 0.99 1.50 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.83 4.16 0.00 1.86 1.76 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.31 7.81 18 Q 8.07 4.03 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.60 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 19 K 8.42 4.18 0.00 2.17 2.06 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.43 1.31 7.81 20 R 8.48 4.38 0.00 2.14 2.16 0.00 3.17 0.00 0.00 2.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.67 0.00 21 I 8.09 3.79 1.91 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 1.57 0.69 0.94 0.00 0.00 22 T 7.57 3.92 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 1.24 0.00 0.00 23 L 8.15 4.34 0.00 2.08 2.13 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.06 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 0.00 0.00 0.00 25 Y 7.87 4.33 0.00 3.23 3.03 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 26 T 8.99 4.40 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 27 Q 8.45 3.89 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 28 A 8.05 3.98 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 29 D 7.91 4.40 0.00 3.18 3.04 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 30 V 7.51 3.18 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 0.07 0.00 0.00 0.04 0.00 0.00 31 G 8.05 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 0.00 0.00 0.00 0.00 32 L 8.18 4.14 0.00 1.99 1.81 0.93 0.62 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 33 T 7.87 4.30 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 1.34 0.00 0.00 34 L 7.89 4.30 0.00 2.01 2.14 1.07 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.22 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.60 3.59 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 0.84 0.00 0.00 1.02 0.00 0.00 37 L 7.25 4.04 0.00 0.47 0.70 0.79 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 38 F 8.81 5.03 0.00 3.03 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 39 G 8.68 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 7.62 4.26 0.00 1.84 1.48 0.00 1.90 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.31 0.97 7.81 41 V 8.19 4.10 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 0.72 0.00 0.00 0.91 0.00 0.00 42 F 9.15 5.10 0.00 2.97 2.86 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 0.00 0.00 0.00 0.00 43 S 8.71 4.80 0.00 3.93 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 44 Q 8.92 3.96 0.00 2.30 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 45 T 8.04 4.10 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 1.23 0.00 0.00 46 T 7.83 3.88 4.46 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 1.03 0.00 0.00 47 I 7.79 3.65 1.91 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.07 0.79 0.00 0.00 48 S 8.97 4.07 0.00 3.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.27 3.93 0.00 2.08 1.97 0.00 3.20 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 50 F 8.57 3.97 0.00 3.06 3.13 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 51 E 8.86 4.05 0.00 2.20 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 2.36 2.58 0.00 52 A 7.13 4.51 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 53 L 7.04 3.31 0.00 1.58 1.55 0.84 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.39 4.27 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.86 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 55 L 7.42 4.49 0.00 1.66 1.59 1.05 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.28 4.28 0.00 4.04 3.99 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 57 L 8.49 3.94 0.00 1.74 1.76 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.92 4.02 0.00 1.91 1.80 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.50 1.06 7.81 59 N 8.12 4.29 0.00 2.83 2.95 0.00 0.00 7.28 7.78 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 60 M 8.27 4.31 0.00 2.01 2.23 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.95 0.00 61 S 7.60 4.21 0.00 4.03 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 62 K 7.69 4.10 0.00 2.09 1.86 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.35 7.81 63 L 7.87 3.88 0.00 1.77 1.08 0.70 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 64 R 8.20 3.87 0.00 2.12 1.92 0.00 3.09 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.12 0.00 65 P 0.00 4.18 0.00 2.13 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 2.07 1.97 0.00 66 L 7.52 3.11 0.00 1.58 1.30 0.91 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.78 4.20 0.00 1.82 2.09 0.68 -0.35 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 68 E 8.72 4.25 0.00 1.92 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 2.25 2.24 0.00 69 K 8.13 4.24 0.00 2.48 2.24 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.46 1.32 7.81 70 W 8.41 4.07 0.00 3.58 3.50 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 71 V 8.48 3.42 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 1.02 0.00 0.00 1.32 0.00 0.00 72 E 8.22 4.07 0.00 2.10 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 0.00 2.26 2.23 0.00 73 E 8.36 4.19 0.00 1.82 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 2.53 2.37 0.00 74 A 7.47 3.96 0.08 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 75 D 7.40 4.40 0.00 2.63 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 76 N 7.89 4.82 0.00 2.77 2.72 0.00 0.00 6.86 6.42 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 77 N 7.87 4.66 0.00 2.67 2.78 0.00 0.00 6.90 7.66 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 78 E 8.37 4.10 0.00 2.13 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 0.00 2.34 2.24 0.00 79 N 8.08 4.47 0.00 2.73 2.82 0.00 0.00 6.56 6.67 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 80 L 7.72 4.48 0.00 1.66 1.71 0.92 0.87 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 81 Q 8.14 4.26 0.00 2.35 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 82 E 7.89 4.54 0.00 2.15 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 2.22 2.18 0.00 83 I 7.35 4.42 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 1.38 1.12 0.91 0.00 0.00 84 S 8.03 4.60 0.00 3.70 3.79 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 0.00 0.00 0.00 0.00 85 K 7.25 4.91 0.00 1.71 1.53 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.26 1.00 7.81 86 S 8.34 4.46 0.00 3.57 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 *90 V 7.97 3.83 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 0.90 0.00 0.00 0.93 0.00 0.00 91 Q 8.32 4.46 0.00 2.05 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.61 0.00 0.00 0.00 0.00 0.00 2.11 1.84 0.00 92 A 8.35 4.68 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 93 R 8.65 4.56 0.00 1.78 1.83 0.00 3.34 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 94 K 7.77 4.73 0.00 1.88 1.68 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.13 0.71 7.81 95 R 7.67 4.29 0.00 1.85 1.75 0.00 3.31 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.12 0.00 96 K 8.32 4.28 0.00 1.82 1.57 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.69 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.36 0.99 7.81 97 R 8.08 4.42 0.00 1.71 1.81 0.00 3.22 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 98 T 8.62 3.86 4.28 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 1.24 0.00 0.00 99 S 8.48 4.54 0.00 3.99 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 0.00 100 I 8.18 3.98 1.88 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.93 0.93 0.00 0.00 101 E 8.70 4.27 0.00 2.00 1.88 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 2.32 1.95 0.00 102 N 8.85 4.73 0.00 2.72 2.86 0.00 0.00 6.77 7.66 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 0.00 103 R 7.96 4.25 0.00 1.81 1.97 0.00 3.22 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.25 0.00 104 V 7.82 3.83 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 1.10 0.00 0.00 0.92 0.00 0.00 105 R 7.93 3.86 0.00 1.87 1.95 0.00 3.33 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 106 W 8.31 4.51 0.00 3.41 3.27 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 0.00 107 S 8.39 4.26 0.00 4.01 4.12 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 0.00 108 L 8.13 3.69 0.00 1.14 0.13 0.13 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.08 3.92 0.00 2.06 1.67 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 2.59 2.65 0.00 110 T 7.30 3.73 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 1.08 0.00 0.00 111 M 7.34 4.42 0.00 2.19 2.44 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.35 0.00 112 F 9.00 4.58 0.00 2.98 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 0.00 113 L 8.43 4.32 0.00 1.74 1.61 0.51 0.79 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 0.00 114 K 7.71 4.05 0.00 2.13 1.81 0.00 1.88 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.43 0.99 7.81 115 S 7.64 4.29 0.00 3.86 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 0.00 116 P 0.00 3.90 0.00 1.97 1.97 0.00 3.46 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.60 0.00 117 K 7.43 4.58 0.00 1.66 1.65 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.44 7.81 118 P 0.00 4.04 0.00 1.69 1.69 0.00 3.59 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.23 0.00 119 S 7.82 4.40 0.00 3.83 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 0.00 120 L 8.43 4.01 0.00 1.65 1.72 0.92 0.80 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 0.00 121 Q 7.97 4.12 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.36 2.02 0.00 122 Q 8.03 4.20 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 123 I 7.13 3.80 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 1.38 0.62 0.91 0.00 0.00 124 T 7.73 4.31 4.24 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 1.21 0.00 0.00 *125 H 8.07 4.36 0.00 2.91 3.11 0.00 7.15 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 I 7.59 3.98 1.89 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 1.44 0.49 0.89 0.00 0.00 127 A 7.79 4.04 1.46 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 0.00 0.00 128 N 8.04 4.31 0.00 2.74 2.84 0.00 0.00 6.38 7.12 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 0.00 129 Q 7.65 4.18 0.00 2.03 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.09 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 130 L 7.67 4.45 0.00 1.68 1.64 0.82 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 131 G 7.78 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.11 4.85 0.00 1.57 1.53 0.88 0.89 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 0.00 133 E 8.68 4.11 0.00 2.02 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 2.42 2.27 0.00 134 K 8.62 4.16 0.00 1.96 2.08 0.00 1.53 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.48 7.81 135 D 8.04 4.38 0.00 2.82 2.79 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 0.00 0.00 0.00 0.00 136 V 7.42 3.66 2.31 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 1.02 0.00 0.00 0.97 0.00 0.00 137 V 7.84 3.73 2.18 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 1.35 0.00 0.00 1.02 0.00 0.00 138 R 7.78 4.07 0.00 2.16 2.07 0.00 3.22 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 139 V 8.01 3.64 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 0.93 0.00 0.00 1.01 0.00 0.00 140 W 8.74 3.98 0.00 3.51 3.31 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 0.00 141 F 9.27 4.59 0.00 3.61 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 0.00 142 S 8.21 4.28 0.00 3.76 3.86 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 0.00 0.00 0.00 0.00 143 N 8.44 4.33 0.00 2.50 2.63 0.00 0.00 6.74 7.69 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 0.00 144 R 7.57 3.25 0.00 0.67 1.12 0.00 2.44 0.00 0.00 2.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 145 R 7.57 4.12 0.00 2.17 2.05 0.00 3.28 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.26 0.00 146 Q 8.09 4.05 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 147 K 7.83 4.00 0.00 1.87 1.74 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.34 7.81 148 G 7.97 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 0.00 0.00 0.00 149 K 7.99 4.02 0.00 1.85 1.78 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.40 1.36 7.81 150 R 7.60 4.50 0.00 1.94 1.72 0.00 3.27 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 * Residues marked with a * may have inaccurate shift predictions.