NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4670 8.3049 120.3299 54.7555 33.4843 174.5782 2 E 3.8895 8.3169 119.1906 55.3307 30.0129 175.6764 3 A 4.0095 9.3214 126.1295 52.8550 19.6735 177.8509 4 L 3.9875 8.5089 122.7296 55.9069 41.9950 178.0149 5 G 3.8032 9.4028 105.1048 45.5490 0.0000 172.5900 6 A 4.5636 7.4478 116.4124 50.9302 21.9621 176.4990 7 D 4.7820 8.5956 121.1198 53.4571 42.6601 175.9317 8 V 4.6229 8.3444 121.4465 61.5333 34.8148 175.3840 9 T 4.4886 7.7106 124.4682 61.2716 68.8560 173.1941 10 Q 3.7991 8.3277 123.1768 55.9141 29.1677 177.8868 11 G 4.2231 8.7008 108.3183 45.8073 0.0000 172.4985 12 L 5.0528 8.1678 119.4101 52.8538 46.6319 175.1213 13 E 5.1369 8.6939 119.6436 53.8585 34.2763 175.2652 14 K 4.1105 8.2631 122.3270 58.0351 32.4943 177.0790 15 G 4.0143 9.1235 115.2144 45.0696 0.0000 173.9970 16 S 4.3084 7.9287 116.7466 58.5817 64.0972 173.1845 17 L 5.1366 8.4316 123.9839 53.3636 42.9542 175.7820 18 I 4.7592 8.9549 116.8476 59.0479 41.8843 174.6210 19 T 4.4078 8.6228 119.4171 63.7487 69.7089 174.1326 20 C 4.6665 8.4930 126.6787 57.5462 31.0326 173.7427 21 A 4.5231 8.5373 132.5668 49.7837 15.7634 174.7847 22 D 5.2396 7.5657 119.3969 53.5606 42.2522 175.9851 23 N 5.0289 8.4463 115.3535 52.8706 37.6035 176.0034 24 T 3.9149 8.0228 111.3998 64.1538 69.3961 175.2442 25 G 3.9512 8.4670 109.4828 44.9497 0.0000 172.2366 26 A 4.8944 7.3949 121.8520 50.5702 20.5994 176.7679 27 R 4.3405 9.0382 122.7710 57.7857 32.1828 176.2798 28 E 5.0723 8.0615 119.5894 54.2423 32.3593 174.4413 29 L 5.1765 9.1952 126.7039 52.7867 45.3244 175.1907 30 K 4.9344 8.6800 123.8662 54.3318 34.7117 175.4137 31 V 3.9622 8.8136 128.8839 63.4674 31.9827 175.9925 32 I 4.2829 8.5333 127.8771 62.7718 39.4262 175.9040 33 S 4.6655 7.7757 115.0133 57.2919 68.1474 173.4819 34 V 4.4926 8.2329 121.3547 61.0913 33.3822 174.4211 35 H 4.1323 9.1023 128.4609 58.1125 30.0390 174.5615 36 G 3.9440 8.4902 112.4816 46.3326 0.0000 171.9084 37 Y 4.6329 7.7744 119.4989 55.3037 40.2972 175.2237 38 S 4.5221 7.4852 120.3291 56.4274 66.8431 173.1992 39 G 4.1099 7.8342 114.5514 44.9407 0.0000 174.6996 40 T 4.3873 8.5090 116.7731 60.3727 69.8574 171.8091 41 K 4.0979 8.3651 126.5374 57.4132 32.7347 176.7891 42 N 4.4036 8.8932 121.0467 53.8400 37.3750 174.3530 43 R 4.1248 8.0297 119.3753 55.7638 30.7139 175.4130 44 H 4.5050 8.7552 123.1597 54.5549 29.3555 173.2237 45 P 4.4688 0.0000 0.0000 63.6235 31.6067 175.1585 46 K 4.9987 7.8051 122.7452 55.0737 34.9831 175.2543 47 A 4.7807 9.2945 123.7422 50.9610 23.4222 175.3387 48 G 4.1844 9.6344 105.4319 45.1731 0.0000 171.8228 49 L 4.0057 9.2242 121.7992 56.9189 42.0955 178.0425 50 G 4.1025 8.9627 114.1870 45.4111 0.0000 173.1684 51 D 4.7996 8.0538 119.7946 53.7123 42.9147 175.3337 52 K 4.7312 8.6665 122.1829 54.9230 34.0725 174.9571 53 I 4.9294 8.4483 121.0650 59.4616 41.0930 174.6125 54 T 4.8177 8.8999 120.1267 62.7048 70.4685 174.2194 55 V 5.0808 9.5294 125.0969 61.3623 35.9571 173.8013 56 S 5.1811 8.6760 117.8346 56.3565 66.5602 173.3329 57 V 4.2328 8.2080 122.1747 62.9283 31.6811 176.6073 58 T 4.0666 9.1265 126.1792 65.8702 69.0021 175.6002 59 K 4.5604 8.8739 119.1525 54.5873 36.3840 177.2790 60 G 3.6892 8.5047 108.7716 44.8933 0.0000 172.6299 61 T 4.0050 8.3875 112.1326 60.8782 69.3378 173.3686 62 P 4.1937 0.0000 0.0000 66.2760 31.1480 178.6484 63 E 3.8043 8.0976 115.2333 59.2989 29.7076 178.5540 64 M 4.2095 8.3430 118.9856 56.4713 32.4319 177.0317 65 R 4.1670 6.7927 116.9103 57.7137 30.6643 177.3304 66 R 3.9336 8.4469 118.4208 56.6897 29.2706 176.6229 67 Q 4.2083 7.6658 117.8379 55.5707 30.2264 175.5229 68 V 4.2034 8.3561 123.6293 61.9915 32.0592 174.2062 69 L 4.9211 9.0257 129.1134 52.7987 45.7416 174.7828 70 E 4.9063 8.4966 118.8176 55.1345 32.7462 174.6678 71 A 4.8834 8.6617 125.6899 51.0670 23.9364 174.7966 72 V 4.5953 8.1718 118.3147 60.8584 34.6420 174.8461 73 V 4.0769 8.4899 128.5413 63.3001 31.9496 176.2126 74 V 4.1458 9.0052 128.2204 63.6941 33.4975 175.2414 75 R 4.0745 7.4497 117.2963 55.2542 34.7219 173.7001 76 Q 4.9787 7.9586 117.4634 55.4458 31.3970 175.6576 77 R 4.3620 8.9073 119.6332 58.2712 30.5478 177.7821 78 K 4.2144 7.8511 118.2526 55.6614 32.7743 175.3099 79 P 4.9662 0.0000 0.0000 62.6742 32.9706 175.1431 80 I 4.8016 8.8491 115.6006 59.1684 41.2516 174.0284 81 R 4.9007 8.6219 125.6143 55.4995 31.5573 175.5240 82 R 4.7713 8.6989 125.3020 54.2675 31.9264 175.8689 83 P 4.2339 0.0000 0.0000 65.9749 31.4789 176.7478 84 D 4.6463 8.0925 115.3428 53.1784 39.2956 177.8677 85 G 3.9903 8.6450 108.3026 46.7257 0.0000 174.9424 86 T 4.1692 7.7021 116.4174 63.7139 69.6270 173.9193 87 R 5.1090 8.4040 122.7283 54.9413 32.5874 175.9203 88 V 4.5777 8.5835 120.8165 61.1813 35.0836 174.3448 89 K 5.0561 8.3376 124.6190 55.6820 35.8094 174.5794 90 F 4.7699 8.8369 118.9713 55.5835 42.2487 176.0445 91 E 4.2197 9.0758 119.4722 58.2227 29.7202 174.7572 92 D 4.7353 7.7509 115.8263 52.9698 42.8683 173.7527 93 N 5.1600 8.6659 115.3333 51.7150 40.7095 174.3850 94 A 5.2301 8.7548 124.0019 50.5708 23.3224 174.6123 95 A 5.0109 9.2263 121.0092 50.2268 23.7110 175.2609 96 V 4.5132 8.3027 118.8825 60.6741 34.3836 175.1892 97 I 4.3073 8.3793 129.4026 61.8862 38.0660 175.5661 98 V 4.9027 8.8765 125.4296 60.2668 35.1207 174.1485 99 D 5.1483 7.8553 120.0610 51.7190 41.6860 176.2303 100 E 3.9266 8.8749 116.9591 60.1205 29.4292 177.6640 101 N 4.5930 9.5973 113.8900 52.9908 38.8418 175.0480 102 E 3.7267 8.1083 116.8036 57.3083 27.2747 173.5351 103 D 5.2729 8.2224 118.1117 50.9873 42.3734 174.3815 104 P 4.4049 0.0000 0.0000 63.2640 31.4582 176.4536 105 R 3.9146 8.6729 122.3785 58.9032 30.3199 176.7260 106 G 4.0500 7.6527 105.4772 44.8329 0.0000 172.1091 107 T 4.4380 8.6706 113.5477 63.8617 70.5934 174.6826 108 E 4.8137 9.1811 119.8203 54.3529 33.7891 174.9323 109 L 5.0062 8.4653 122.5490 53.2371 43.3779 176.0277 110 K 4.2153 8.2746 124.5184 56.4780 33.1137 178.1507 111 G 3.9021 8.9121 112.3150 43.9124 0.0000 170.5637 112 P 4.9064 0.0000 0.0000 62.7730 32.6229 175.7546 113 I 4.7881 8.4149 119.1184 59.3176 41.9761 174.8029 114 A 4.6523 8.2236 126.3455 51.7666 19.1210 178.8898 115 R 3.8794 9.0301 119.4528 59.7309 28.9135 178.9226 116 E 4.0346 8.3772 118.7271 59.3546 29.4107 179.4562 117 V 3.6624 7.8692 117.6832 65.4556 31.4802 178.0461 118 A 4.0230 8.3189 121.3503 55.1932 18.1085 179.2902 119 Q 4.0874 7.3825 111.4634 57.3919 28.6623 177.2350 120 R 4.0533 7.7766 117.6558 56.9208 32.8844 175.8205 121 F 4.8969 7.6502 118.3603 54.4666 39.4468 175.8081 122 G 3.7339 8.5893 111.8576 47.9089 0.0000 172.5840 123 S 4.3062 8.0967 118.1850 60.1593 62.3561 176.6035 124 V 3.5871 7.8493 121.4493 65.6465 31.4165 177.7234 125 A 4.0965 8.1204 120.7924 55.1293 18.3201 179.9550 126 S 4.4741 8.7507 109.2972 59.0433 62.5123 174.8863 127 A 4.6772 7.4594 120.8289 51.8113 20.1361 176.9988 128 A 4.3302 8.3232 119.7390 52.2676 19.3668 178.1679 129 T 4.2249 8.4492 117.4325 65.8271 69.6193 175.0764 130 M 4.8263 7.7986 119.9676 53.4846 35.5708 174.6034 131 I 4.5729 8.3138 122.8256 59.4249 39.9648 175.5684 132 V 3.9033 8.4264 126.4556 62.9641 31.0029 175.7312 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.47 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.62 0.00 2 E 8.32 3.89 0.00 1.95 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 2.28 2.33 0.00 3 A 9.32 4.01 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 4 L 8.51 3.99 0.00 1.64 1.74 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.40 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 6 A 7.45 4.56 1.20 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 0.00 0.00 7 D 8.60 4.78 0.00 2.64 2.60 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 8 V 8.34 4.62 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 0.84 0.00 0.00 0.96 0.00 0.00 9 T 7.71 4.49 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 1.22 0.00 0.00 10 Q 8.33 3.80 0.00 1.99 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.25 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 11 G 8.70 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 12 L 8.17 5.05 0.00 1.65 1.46 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.69 5.14 0.00 1.88 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 14 K 8.26 4.11 0.00 1.73 1.69 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.59 7.81 15 G 9.12 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.93 4.31 0.00 3.90 3.77 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 17 L 8.43 5.14 0.00 1.51 1.59 0.95 0.76 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 18 I 8.95 4.76 2.01 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 1.32 0.92 0.89 0.00 0.00 19 T 8.62 4.41 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 1.20 0.00 0.00 20 C 8.49 4.67 0.00 2.97 3.08 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 21 A 8.54 4.52 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 22 D 7.57 5.24 0.00 2.78 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 23 N 8.45 5.03 0.00 2.81 2.90 0.00 0.00 5.97 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 24 T 8.02 3.91 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 1.27 0.00 0.00 25 G 8.47 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.39 4.89 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 27 R 9.04 4.34 0.00 1.75 1.96 0.00 3.07 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 28 E 8.06 5.07 0.00 2.00 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 2.25 2.28 0.00 29 L 9.20 5.18 0.00 1.62 1.49 0.88 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.68 4.93 0.00 1.77 1.62 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.32 7.81 31 V 8.81 3.96 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 0.84 0.00 0.00 0.94 0.00 0.00 32 I 8.53 4.28 1.98 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 0.94 0.91 0.00 0.00 33 S 7.78 4.67 0.00 3.74 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 34 V 8.23 4.49 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.79 0.00 0.00 35 H 9.10 4.13 0.00 3.20 3.33 0.00 6.16 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 36 G 8.49 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 37 Y 7.77 4.63 0.00 2.97 3.07 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 0.00 0.00 0.00 38 S 7.49 4.52 0.00 3.82 3.61 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 39 G 7.83 4.11 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 0.00 40 T 8.51 4.39 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 41 K 8.37 4.10 0.00 1.76 1.72 0.00 1.95 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.53 7.81 42 N 8.89 4.40 0.00 2.94 2.97 0.00 0.00 7.01 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 43 R 8.03 4.12 0.00 1.79 2.06 0.00 3.37 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 44 H 8.76 4.51 0.00 3.34 3.21 0.00 5.81 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 45 P 0.00 4.47 0.00 2.09 2.43 0.00 3.70 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 46 K 7.81 5.00 0.00 1.72 1.73 0.00 1.51 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.04 1.20 7.81 47 A 9.29 4.78 1.10 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 0.00 0.00 48 G 9.63 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 49 L 9.22 4.01 0.00 1.57 1.66 0.97 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.96 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 0.00 0.00 0.00 51 D 8.05 4.80 0.00 2.73 2.61 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 52 K 8.67 4.73 0.00 1.75 1.66 0.00 1.52 0.00 0.00 1.66 0.00 0.00 2.63 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.32 1.42 7.81 53 I 8.45 4.93 1.96 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 0.61 0.88 0.00 0.00 54 T 8.90 4.82 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 1.27 0.00 0.00 55 V 9.53 5.08 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 0.88 0.00 0.00 0.94 0.00 0.00 56 S 8.68 5.18 0.00 3.90 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.21 4.23 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 0.94 0.00 0.00 0.95 0.00 0.00 58 T 9.13 4.07 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 1.33 0.00 0.00 59 K 8.87 4.56 0.00 1.72 1.64 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.40 1.40 7.81 60 G 8.50 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 0.00 0.00 0.00 0.00 61 T 8.39 4.00 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 1.24 0.00 0.00 62 P 0.00 4.19 0.00 2.17 2.18 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 63 E 8.10 3.80 0.00 1.93 2.01 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 2.31 2.34 0.00 64 M 8.34 4.21 0.00 1.98 2.20 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 2.58 2.70 0.00 65 R 6.79 4.17 0.00 1.97 1.87 0.00 3.27 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.61 0.00 66 R 8.45 3.93 0.00 1.98 2.07 0.00 3.15 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 67 Q 7.67 4.21 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 68 V 8.36 4.20 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 0.78 0.00 0.00 0.92 0.00 0.00 69 L 9.03 4.92 0.00 1.52 1.53 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.50 4.91 0.00 1.98 1.69 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 2.19 2.24 0.00 71 A 8.66 4.88 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.17 4.60 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 0.87 0.00 0.00 -0.17 0.00 0.00 73 V 8.49 4.08 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 0.81 0.00 0.00 0.89 0.00 0.00 74 V 9.01 4.15 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 0.80 0.00 0.00 0.96 0.00 0.00 75 R 7.45 4.07 0.00 1.48 1.31 0.00 3.23 0.00 0.00 3.58 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.21 0.00 76 Q 7.96 4.98 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.67 0.00 77 R 8.91 4.36 0.00 1.88 2.06 0.00 3.15 0.00 0.00 3.03 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.56 0.00 78 K 7.85 4.21 0.00 1.77 1.73 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.53 1.56 7.81 79 P 0.00 4.97 0.00 2.13 1.96 0.00 3.61 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 2.12 2.10 0.00 80 I 8.85 4.80 2.05 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.01 0.99 0.00 0.00 81 R 8.62 4.90 0.00 1.95 1.84 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 82 R 8.70 4.77 0.00 1.82 1.82 0.00 3.22 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 83 P 0.00 4.23 0.00 2.03 2.15 0.00 3.67 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 84 D 8.09 4.65 0.00 2.78 2.74 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 85 G 8.65 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 0.00 0.00 0.00 86 T 7.70 4.17 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 1.19 0.00 0.00 87 R 8.40 5.11 0.00 1.67 1.84 0.00 3.32 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 88 V 8.58 4.58 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 0.89 0.00 0.00 89 K 8.34 5.06 0.00 1.96 1.72 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.24 1.41 7.81 90 F 8.84 4.77 0.00 3.23 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 91 E 9.08 4.22 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 2.30 2.26 0.00 92 D 7.75 4.74 0.00 2.69 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 93 N 8.67 5.16 0.00 2.64 2.73 0.00 0.00 6.45 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 94 A 8.75 5.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 9.23 5.01 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.30 4.51 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 1.01 0.00 0.00 0.94 0.00 0.00 97 I 8.38 4.31 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.52 0.91 0.00 0.00 98 V 8.88 4.90 1.91 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 0.58 0.00 0.00 0.84 0.00 0.00 99 D 7.86 5.15 0.00 2.87 2.83 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 0.00 0.00 0.00 100 E 8.87 3.93 0.00 1.97 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 2.31 2.33 0.00 101 N 9.60 4.59 0.00 2.82 2.86 0.00 0.00 7.14 7.54 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 0.00 102 E 8.11 3.73 0.00 2.21 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 2.19 2.29 0.00 103 D 8.22 5.27 0.00 2.85 2.57 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 0.00 104 P 0.00 4.40 0.00 2.15 2.06 0.00 3.77 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 105 R 8.67 3.91 0.00 1.77 1.97 0.00 3.23 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 106 G 7.65 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.67 4.44 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 0.00 108 E 9.18 4.81 0.00 1.81 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 2.21 2.25 0.00 109 L 8.47 5.01 0.00 1.52 1.59 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.27 4.22 0.00 1.59 1.74 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.38 7.81 111 G 8.91 3.90 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 0.00 0.00 0.00 112 P 0.00 4.91 0.00 2.26 2.15 0.00 3.78 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 2.16 2.11 0.00 113 I 8.41 4.79 1.90 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 1.15 0.86 0.92 0.00 0.00 114 A 8.22 4.65 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 0.00 115 R 9.03 3.88 0.00 2.07 2.25 0.00 3.01 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 116 E 8.38 4.03 0.00 2.10 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 2.43 2.60 0.00 117 V 7.87 3.66 2.25 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 1.20 0.00 0.00 0.98 0.00 0.00 118 A 8.32 4.02 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 0.00 119 Q 7.38 4.09 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.67 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 120 R 7.78 4.05 0.00 1.03 0.66 0.00 2.85 0.00 0.00 2.88 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.29 0.00 121 F 7.65 4.90 0.00 3.15 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.59 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 S 8.10 4.31 0.00 4.08 4.17 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 0.00 124 V 7.85 3.59 2.40 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 1.06 0.00 0.00 0.92 0.00 0.00 125 A 8.12 4.10 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.75 4.47 0.00 4.03 4.11 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 0.00 127 A 7.46 4.68 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 0.00 128 A 8.32 4.33 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 0.00 129 T 8.45 4.22 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 1.22 0.00 0.00 130 M 7.80 4.83 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 131 I 8.31 4.57 1.90 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 1.26 0.63 0.95 0.00 0.00 132 V 8.43 3.90 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 0.63 0.00 0.00 0.97 0.00 0.00