NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1C H 4.6766 8.4449 117.8212 56.2542 29.2770 172.5923 1D H 4.5207 8.0520 115.8887 55.6692 29.9713 173.5298 1E H 5.1050 7.6078 115.4351 53.6884 33.5946 171.9750 1F H 4.6228 8.9438 117.0917 56.0199 28.8658 174.3354 1G F 4.9328 8.4032 119.2423 57.9007 39.8920 173.9292 2 N 4.6495 8.5517 117.1164 52.3239 39.0968 174.4773 3 L 4.8056 8.0769 123.2192 51.9786 44.1445 174.6465 4 P 4.4856 0.0000 0.0000 61.6235 32.2782 174.6511 5 P 4.3801 0.0000 0.0000 62.3601 33.0484 176.4963 6 G 3.9960 8.8073 103.3516 45.8317 0.0000 171.9038 7 N 4.4176 7.8411 114.2336 51.7122 39.7998 174.3488 8 Y 4.8139 8.1052 117.6671 58.2746 38.6996 176.6350 9 K 4.0990 8.7395 122.4230 58.8407 32.2412 177.2995 10 K 4.7245 7.5935 115.0311 53.2384 35.3532 173.8122 11 P 4.6991 0.0000 0.0000 63.3111 32.2857 175.0211 12 K 4.9006 9.4804 119.1324 55.1925 37.4820 174.9807 13 L 5.0192 9.1832 121.2154 53.2909 44.6168 176.2981 14 L 5.0336 8.5922 122.9654 53.4917 43.0666 174.2142 15 Y 4.9165 9.3905 126.9462 56.8071 40.4659 173.4945 16 C 4.2805 8.5794 128.0120 56.7739 32.3491 174.4606 17 S 3.7859 8.2881 121.5993 60.6603 62.5801 174.3984 18 N 4.1877 7.9729 118.5261 56.1958 38.2876 175.2981 19 G 3.9050 7.5171 101.3766 44.1841 0.0000 171.8430 20 G 3.3115 7.6874 106.6849 46.9807 0.0000 173.1629 21 H 4.9057 7.1123 114.1035 53.6420 33.4476 174.2366 22 F 5.3351 8.9735 120.0621 55.8430 40.7213 175.3290 23 L 4.4937 8.9023 125.9338 55.3730 43.2937 175.6529 24 R 4.9261 9.4350 125.9266 54.6425 33.7829 173.8596 25 I 4.8429 8.3102 126.7711 59.3265 38.8724 175.6566 26 L 4.0539 8.7159 128.0170 53.5528 42.2436 176.8590 27 P 4.2285 0.0000 0.0000 65.9463 31.3080 177.0306 28 D 4.5916 8.0028 114.5860 53.3856 39.3987 177.2368 29 G 4.2358 8.6367 109.9396 45.6357 0.0000 174.2901 30 T 4.2780 8.1500 117.1623 63.3826 69.0887 173.5679 31 V 4.8456 7.8669 123.7540 61.2932 34.7256 174.5960 32 D 4.5715 8.4333 124.4106 53.1151 42.8808 174.2103 33 G 4.5535 8.5927 104.6114 45.4147 0.0000 172.3667 34 T 5.0052 8.8724 114.8277 60.5737 71.1066 174.6095 35 R 4.2790 8.8250 124.0793 56.4582 31.0482 176.3001 36 D 4.6624 8.2323 119.4499 53.2261 40.3317 176.9184 37 R 3.6861 8.6644 127.0930 58.6409 30.2177 178.2283 38 S 4.3088 8.4651 111.2594 58.7438 63.6068 174.1471 39 D 4.3622 7.6616 121.6023 55.1656 41.1953 176.0353 40 Q 4.3999 8.4217 122.6166 56.1709 29.4041 175.8720 41 H 4.8966 9.3139 116.2182 55.4554 29.0924 175.3836 42 I 4.5667 7.4828 110.8871 59.8990 38.2267 175.1827 43 Q 4.2577 7.8145 122.0655 55.6894 29.7756 174.7829 44 L 4.9868 8.9309 124.0769 52.8180 45.8938 175.2223 45 Q 4.7716 9.3556 124.7803 54.5305 30.8339 174.4273 46 L 5.5723 8.8546 126.1804 52.9787 44.1921 175.9505 47 S 4.4003 8.1136 113.9625 56.9602 66.5984 172.3693 48 A 4.7574 8.0191 123.5488 50.8379 19.5069 177.0044 49 E 4.0821 8.8326 122.6873 58.2454 30.4079 176.6232 50 S 4.5793 7.3538 112.3363 56.6856 67.0545 173.4232 51 V 3.7582 8.2907 122.0248 64.6236 31.5204 176.4802 52 G 3.9143 9.1413 114.5029 45.4676 0.0000 171.8046 53 E 5.1613 8.3747 120.4130 54.6350 31.9643 175.6690 54 V 4.8951 9.1435 117.2356 59.8769 36.8544 174.0085 55 Y 5.4522 8.5836 119.4106 56.7078 40.9512 175.2473 56 I 4.5957 8.6867 122.7307 59.5782 40.1639 174.1864 57 K 4.7786 8.6627 128.8493 53.9656 35.3147 175.1301 58 S 4.5568 8.8030 123.1521 58.7135 62.5915 174.9525 59 T 3.8145 8.5459 118.6152 64.5836 68.7856 175.9417 60 E 4.0520 8.3599 122.6526 58.4503 29.8663 177.0633 61 T 4.3164 8.2500 106.6438 60.7621 70.2175 175.4916 62 G 3.8199 8.2755 110.0588 45.1899 0.0000 173.7584 63 Q 4.3815 7.5789 118.9061 56.1146 30.2791 174.6425 64 Y 4.8130 9.0510 120.2593 56.1360 40.3244 174.9889 65 L 4.4461 9.1709 126.6987 55.2647 43.3903 175.6327 66 A 5.0262 8.8942 126.6579 50.6865 23.3822 174.0559 67 M 5.4697 8.3874 118.5587 53.8703 34.8066 175.6636 68 D 5.2564 9.6096 126.5125 52.5673 41.0696 176.8996 69 T 3.9942 8.5800 112.8918 64.8284 67.2243 174.0284 70 D 4.7830 8.7738 119.7623 53.9125 41.0967 177.2184 71 G 3.2948 8.5219 107.6904 45.2879 0.0000 173.3700 72 L 4.6567 7.7349 119.8981 53.3524 42.8967 175.9314 73 L 5.0873 8.3993 123.3280 55.1350 42.6143 175.6959 74 Y 5.0273 9.1809 119.9977 55.7868 42.0935 173.7171 75 G 4.1950 8.8422 108.7074 45.3871 0.0000 173.1061 76 S 5.1043 9.0127 121.4477 56.8685 63.8581 175.3264 77 Q 4.4620 9.0522 125.6852 58.0704 28.9963 176.3053 78 T 4.6992 7.5257 106.3145 58.5288 71.7704 171.5490 79 P 3.5371 0.0000 0.0000 62.2183 31.8021 175.1514 80 N 5.0414 8.0572 119.3303 50.4541 40.7937 174.5993 81 E 3.8951 8.6039 114.7807 59.0069 29.8041 178.2598 82 E 4.0275 8.7307 118.6762 57.6791 29.7948 177.4175 83 C 4.7985 7.8791 115.3169 59.1393 28.9795 173.3584 84 L 4.5569 7.1487 121.2863 53.6554 42.7213 175.8255 85 W 5.2080 8.9869 123.2883 54.8340 33.0611 174.8591 86 L 4.9589 9.4516 124.5994 53.7400 42.2325 175.4232 87 E 4.4589 9.0585 127.1628 55.2818 30.2104 175.7424 88 R 4.8235 8.5230 125.2318 54.0260 34.8155 174.6591 89 L 4.7301 8.6855 123.7122 55.3262 43.0934 175.8057 90 E 4.7295 9.1305 124.2793 55.3497 33.6958 174.7285 91 E 3.9806 9.9044 124.2483 57.9149 27.8544 174.5068 92 N 4.3320 8.5183 110.1980 54.1287 36.6414 174.1417 93 H 4.8619 8.5335 116.4895 57.7095 37.3251 173.5019 94 Y 4.6420 7.9236 116.0444 57.5012 40.0806 173.4101 95 N 5.5881 9.6287 118.0067 51.9508 41.3142 174.6207 96 T 5.2880 8.8692 112.7819 60.1551 73.0544 172.6158 97 Y 5.0859 8.6563 119.0754 56.6502 41.5537 174.1986 98 I 4.8488 8.5357 125.8951 59.1599 40.0100 175.4843 99 S 3.5992 9.2171 122.3088 58.2856 62.9511 174.8970 100 K 3.9151 8.7135 129.3259 59.3932 32.3859 178.4958 101 K 3.6988 7.9288 117.8591 59.2279 32.3060 178.0434 102 H 4.5489 7.8178 115.5199 55.0941 30.1877 176.8741 103 A 4.0919 7.8749 126.7239 54.5843 18.0970 179.5668 104 E 3.6562 7.8233 113.5007 58.3016 29.8875 177.6268 105 K 4.0893 7.5232 117.4654 55.6395 32.9720 175.7655 106 N 3.9988 7.4843 115.5035 54.0061 36.3301 174.4524 107 W 5.1597 7.6271 117.6437 55.5884 31.4238 177.5351 108 F 5.5481 9.3476 123.4849 55.4646 41.4624 175.2945 109 V 3.9324 8.7702 120.7810 62.8864 32.5969 175.1552 110 G 4.4001 8.5338 112.4845 45.2328 0.0000 171.4974 111 L 5.2952 8.3131 123.2097 52.4836 44.3743 177.1162 112 K 4.2447 9.0982 123.3652 55.4165 32.9626 178.2965 113 K 3.9011 8.4623 119.7284 59.5583 31.9313 177.9602 114 N 4.5448 8.0539 113.5157 52.8340 37.6770 175.8079 115 G 3.4964 8.2171 108.1304 45.3058 0.0000 173.1841 116 S 4.9506 8.0862 114.8834 56.9506 65.1178 173.8192 117 C 4.7421 8.5464 119.3788 59.9698 28.7967 173.1526 118 K 4.4548 8.7427 121.8867 55.1317 33.2441 176.9116 119 R 4.1174 8.5343 123.7866 55.6597 31.0914 177.0621 120 G 3.1521 8.5069 114.2543 48.3110 0.0000 174.1543 121 P 4.3070 0.0000 0.0000 64.2696 31.4131 177.4928 122 R 4.3232 7.9146 115.8486 56.3550 30.4154 176.2608 123 T 5.0431 7.6359 108.2164 59.7442 70.9070 173.3741 124 H 4.7122 7.8371 114.9248 54.9904 30.4246 173.1849 125 Y 3.9362 8.7770 118.4551 60.0027 38.0845 177.3470 126 G 4.0085 9.0326 111.4809 45.3719 0.0000 173.7829 127 Q 4.2517 7.3418 118.8708 55.0785 29.9363 176.9798 128 K 3.8279 8.2367 118.3168 58.6296 32.8462 179.4858 129 A 3.9184 7.8121 121.6871 54.4874 18.3257 178.4363 130 I 4.4341 7.1414 106.0227 60.4238 38.0881 175.3447 131 L 4.3299 7.3168 123.3743 54.1478 42.5686 175.8849 132 F 5.1755 9.4790 122.5378 55.5721 43.4288 174.2202 133 L 5.3114 9.2346 120.6516 52.3770 45.0460 174.0983 134 P 5.0848 0.0000 0.0000 62.6120 32.2132 175.5974 135 L 4.9496 9.2124 124.4987 51.8449 45.1036 174.5184 136 P 4.6451 0.0000 0.0000 62.7038 32.3436 177.0152 137 V 3.7724 8.1554 114.1779 61.7574 31.6507 176.3345 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 1C H 8.44 4.68 0.00 3.04 3.32 0.00 5.85 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 1D H 8.05 4.52 0.00 3.17 3.19 0.00 5.64 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 1E H 7.61 5.10 0.00 3.20 3.35 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.94 4.62 0.00 3.34 3.41 0.00 5.66 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.40 4.93 0.00 2.87 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 2 N 8.55 4.65 0.00 2.97 2.79 0.00 0.00 6.86 6.74 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 3 L 8.08 4.81 0.00 1.47 1.41 0.63 0.34 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 4 P 0.00 4.49 0.00 2.19 2.08 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 5 P 0.00 4.38 0.00 2.17 2.11 0.00 3.77 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 6 G 8.81 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 7 N 7.84 4.42 0.00 2.61 2.65 0.00 0.00 5.87 7.55 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 8 Y 8.11 4.81 0.00 3.03 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.74 4.10 0.00 1.82 1.90 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.56 7.81 10 K 7.59 4.72 0.00 1.70 1.68 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.38 7.81 11 P 0.00 4.70 0.00 2.05 2.05 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 12 K 9.48 4.90 0.00 1.63 1.82 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.57 1.62 7.81 13 L 9.18 5.02 0.00 1.63 1.61 0.42 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.59 5.03 0.00 1.51 1.49 0.32 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.39 4.92 0.00 3.29 3.14 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 16 C 8.58 4.28 0.00 2.41 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.29 3.79 0.00 3.87 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 18 N 7.97 4.19 0.00 2.60 2.64 0.00 0.00 6.70 7.98 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 19 G 7.52 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 20 G 7.69 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 0.00 0.00 0.00 21 H 7.11 4.91 0.00 2.99 3.21 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.97 5.34 0.00 3.13 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.90 4.49 0.00 1.74 1.47 0.85 0.03 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 24 R 9.44 4.93 0.00 1.89 2.06 0.00 3.27 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.82 0.00 25 I 8.31 4.84 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.73 0.89 0.00 0.00 26 L 8.72 4.05 0.00 1.87 1.52 0.92 0.75 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 27 P 0.00 4.23 0.00 1.99 2.12 0.00 3.51 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.96 0.00 28 D 8.00 4.59 0.00 2.79 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 29 G 8.64 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 0.00 0.00 0.00 0.00 30 T 8.15 4.28 4.32 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 1.22 0.00 0.00 31 V 7.87 4.85 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 0.87 0.00 0.00 1.01 0.00 0.00 32 D 8.43 4.57 0.00 2.86 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 33 G 8.59 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 34 T 8.87 5.01 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 1.36 0.00 0.00 35 R 8.83 4.28 0.00 1.87 1.97 0.00 3.20 0.00 0.00 3.06 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.46 0.00 36 D 8.23 4.66 0.00 2.84 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.66 3.69 0.00 1.87 1.90 0.00 3.28 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.79 0.00 38 S 8.47 4.31 0.00 3.93 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 7.66 4.36 0.00 2.80 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.42 4.40 0.00 1.88 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.19 0.00 0.00 0.00 0.00 0.00 2.27 2.21 0.00 41 H 9.31 4.90 0.00 3.30 3.47 0.00 5.77 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.48 4.57 1.88 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.91 1.03 0.00 0.00 43 Q 7.81 4.26 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.88 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 44 L 8.93 4.99 0.00 1.48 1.42 0.79 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 9.36 4.77 0.00 2.09 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 46 L 8.85 5.57 0.00 1.80 1.62 0.90 1.13 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 47 S 8.11 4.40 0.00 3.82 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 48 A 8.02 4.76 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 49 E 8.83 4.08 0.00 1.64 1.79 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 1.53 1.47 0.00 50 S 7.35 4.58 0.00 3.82 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 51 V 8.29 3.76 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 0.91 0.00 0.00 1.02 0.00 0.00 52 G 9.14 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 53 E 8.37 5.16 0.00 2.04 1.75 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 2.21 2.27 0.00 54 V 9.14 4.90 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 0.70 0.00 0.00 1.29 0.00 0.00 55 Y 8.58 5.45 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.69 4.60 1.74 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.63 0.65 0.00 0.00 57 K 8.66 4.78 0.00 1.34 1.51 0.00 1.19 0.00 0.00 0.61 0.00 0.00 2.63 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.99 1.01 7.81 58 S 8.80 4.56 0.00 3.87 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.55 3.81 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 60 E 8.36 4.05 0.00 1.97 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 0.00 2.20 2.35 0.00 61 T 8.25 4.32 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 G 8.28 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 7.58 4.38 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.74 0.00 0.00 0.00 0.00 0.00 2.52 2.33 0.00 64 Y 9.05 4.81 0.00 2.78 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 9.17 4.45 0.00 1.62 1.58 0.81 0.21 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 66 A 8.89 5.03 0.56 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 67 M 8.39 5.47 0.00 2.22 2.41 0.00 0.00 0.00 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.70 0.00 68 D 9.61 5.26 0.00 2.90 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 69 T 8.58 3.99 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 1.26 0.00 0.00 70 D 8.77 4.78 0.00 2.68 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 71 G 8.52 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 0.00 0.00 0.00 72 L 7.73 4.66 0.00 1.98 1.64 0.91 0.62 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 73 L 8.40 5.09 0.00 1.58 1.64 0.88 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 9.18 5.03 0.00 2.97 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 75 G 8.84 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 9.01 5.10 0.00 3.85 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 77 Q 9.05 4.46 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.54 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 78 T 7.53 4.70 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 1.22 0.00 0.00 79 P 0.00 3.54 0.00 1.56 0.49 0.00 3.50 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.55 0.00 80 N 8.06 5.04 0.00 2.89 2.90 0.00 0.00 6.00 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 81 E 8.60 3.90 0.00 2.06 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 0.00 2.31 2.24 0.00 82 E 8.73 4.03 0.00 2.27 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 0.00 2.37 2.32 0.00 83 C 7.88 4.80 0.00 3.03 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 84 L 7.15 4.56 0.00 1.56 1.44 0.88 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 85 W 8.99 5.21 0.00 3.45 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 86 L 9.45 4.96 0.00 1.57 1.66 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 87 E 9.06 4.46 0.00 2.14 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 2.18 1.86 0.00 88 R 8.52 4.82 0.00 1.79 1.88 0.00 3.17 0.00 0.00 2.89 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 89 L 8.69 4.73 0.00 1.74 1.61 0.99 1.09 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 90 E 9.13 4.73 0.00 2.24 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 2.30 2.43 0.00 91 E 9.90 3.98 0.00 2.36 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 0.00 2.32 2.33 0.00 92 N 8.52 4.33 0.00 2.85 2.89 0.00 0.00 6.87 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 H 8.53 4.86 0.00 2.86 2.98 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.92 4.64 0.00 3.03 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 95 N 9.63 5.59 0.00 3.00 2.61 0.00 0.00 6.96 6.98 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 96 T 8.87 5.29 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 1.39 0.00 0.00 97 Y 8.66 5.09 0.00 2.67 2.73 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 98 I 8.54 4.85 1.70 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.55 0.55 0.00 0.00 99 S 9.22 3.60 0.00 3.80 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.71 3.92 0.00 1.75 1.65 0.00 1.63 0.00 0.00 1.48 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.31 7.81 101 K 7.93 3.70 0.00 1.70 1.54 0.00 1.40 0.00 0.00 1.44 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 1.35 7.81 102 H 7.82 4.55 0.00 2.89 2.15 0.00 5.68 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 0.00 103 A 7.87 4.09 1.40 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 0.00 0.00 0.00 104 E 7.82 3.66 0.00 1.78 1.62 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 2.09 2.12 0.00 105 K 7.52 4.09 0.00 0.86 1.46 0.00 1.38 0.00 0.00 1.49 0.00 0.00 2.13 0.00 0.00 2.23 0.00 0.00 0.00 0.00 1.19 0.96 7.81 106 N 7.48 4.00 0.00 3.09 3.12 0.00 0.00 6.88 7.48 0.00 0.00 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 W 7.63 5.16 0.00 3.31 3.14 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 0.00 108 F 9.35 5.55 0.00 2.84 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 0.00 109 V 8.77 3.93 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 -0.30 0.00 0.00 110 G 8.53 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 0.00 0.00 0.00 0.00 111 L 8.31 5.30 0.00 1.42 1.48 1.04 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 112 K 9.10 4.24 0.00 1.92 1.67 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.35 7.81 113 K 8.46 3.90 0.00 1.70 1.85 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.37 7.81 114 N 8.05 4.54 0.00 2.79 2.89 0.00 0.00 6.15 7.00 0.00 0.00 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 G 8.22 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 0.00 0.00 0.00 116 S 8.09 4.95 0.00 3.88 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 0.00 117 C 8.55 4.74 0.00 2.88 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 0.00 118 K 8.74 4.45 0.00 1.68 1.68 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.33 7.81 119 R 8.53 4.12 0.00 1.74 1.63 0.00 3.23 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.47 0.00 120 G 8.51 3.15 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 0.00 121 P 0.00 4.31 0.00 1.94 2.20 0.00 3.08 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.98 0.00 122 R 7.91 4.32 0.00 1.83 1.93 0.00 3.30 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 123 T 7.64 5.04 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 1.25 0.00 0.00 124 H 7.84 4.71 0.00 3.38 3.51 0.00 5.48 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.78 3.94 0.00 3.15 2.95 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 0.00 126 G 9.03 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 0.00 127 Q 7.34 4.25 0.00 1.80 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.72 0.00 0.00 0.00 0.00 0.00 2.12 2.02 0.00 128 K 8.24 3.83 0.00 1.76 1.63 0.00 1.54 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.27 7.81 129 A 7.81 3.92 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 0.00 130 I 7.14 4.43 1.71 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.07 0.48 0.00 0.00 131 L 7.32 4.33 0.00 1.12 0.70 0.33 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.48 5.18 0.00 3.37 3.10 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 0.00 133 L 9.23 5.31 0.00 1.86 1.66 1.09 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.08 0.00 2.15 2.20 0.00 3.79 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 2.07 0.00 135 L 9.21 4.95 0.00 1.63 1.61 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.65 0.00 1.92 1.98 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 137 V 8.16 3.77 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 0.65 0.00 0.00 0.91 0.00 0.00