NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 S 4.5251 8.1933 115.4138 57.7129 64.6379 174.2384 26 L 4.0426 8.7070 121.7071 57.9990 41.3373 176.3414 27 E 4.0159 8.6202 118.1473 60.0772 29.9350 178.2787 28 L 3.6923 7.6954 118.7120 58.7660 41.9309 179.0055 29 W 4.5279 8.2654 117.8180 59.9458 29.3470 178.3229 30 L 3.5520 8.4311 120.4025 58.2906 41.3616 178.8694 31 N 4.5119 8.4391 117.9322 55.4421 38.2103 177.7131 32 K 4.0308 7.9049 119.1468 59.3717 32.3185 179.0353 33 A 4.1873 8.6771 119.9487 53.9116 18.6203 177.9303 34 T 4.6476 7.6209 105.5820 60.7351 69.4821 172.8637 35 D 4.2977 8.0979 123.0978 54.6268 41.0812 174.9335 36 P 4.4347 0.0000 0.0000 63.5174 31.7004 177.1174 37 S 4.3132 8.2464 114.1256 60.3899 63.5818 174.4861 38 M 4.2128 7.5948 120.8790 55.0943 31.7902 176.0030 39 S 4.2882 9.0038 119.5006 60.6409 62.7221 173.8094 40 E 4.9076 7.8131 116.4716 54.0643 32.9892 174.7803 41 Q 3.6476 8.2980 121.7383 55.4542 29.3847 176.2495 42 D 4.6036 8.3858 124.1141 53.5605 40.8486 176.5133 43 W 3.7098 8.7603 127.9226 59.4196 29.1719 178.1136 44 S 4.3460 8.5702 113.9535 60.7505 61.8811 175.8405 45 A 3.9539 8.6594 123.8015 55.0485 18.0949 179.6226 46 I 3.5204 7.2328 117.7412 64.6838 36.6465 178.6478 47 Q 3.7555 7.4591 118.4808 58.9839 28.5974 178.7153 48 N 3.7901 7.7357 117.4831 55.7450 38.2512 177.2059 49 F 4.1577 8.2108 122.4956 61.6525 39.3600 176.6624 50 C 3.7453 8.0442 115.8847 59.4258 40.4785 175.8864 51 E 3.6094 7.5525 121.2534 59.1105 29.2604 178.6014 52 Q 3.9380 7.6853 117.7952 58.8328 28.4655 178.9032 53 V 3.3941 6.9423 118.4392 65.9527 31.4619 177.4637 54 N 4.4587 7.1911 114.8172 56.3262 38.5312 177.1743 55 T 3.9113 7.5700 116.9329 65.4757 69.3262 174.0317 56 D 4.5047 8.4737 120.8836 53.1675 42.0071 175.9109 57 P 4.3503 0.0000 0.0000 65.5173 31.7774 177.3790 58 N 4.3339 9.3205 117.5779 55.7619 38.9361 177.4654 59 G 3.9312 7.7910 107.2286 48.4024 0.0000 173.8373 60 P 4.3668 0.0000 0.0000 65.2088 31.3970 178.2034 61 T 4.3243 7.9197 105.3666 63.5491 69.6346 175.2304 62 H 5.0471 8.6947 119.5014 57.3188 30.0383 176.2619 63 A 4.2612 8.5148 123.3009 54.9113 18.1831 177.8064 64 P 4.0625 0.0000 0.0000 65.9385 31.0501 178.6716 65 W 4.6672 7.2131 118.0531 59.4288 28.5741 178.3961 66 L 4.2108 8.2344 119.1716 57.7069 40.9990 179.6384 67 L 4.0603 8.5477 119.0773 57.7777 41.5614 179.0543 68 A 4.0830 8.7450 121.1098 55.6612 18.0636 179.1503 69 H 4.2071 8.2552 115.1555 59.5835 30.3354 177.3684 70 K 4.1070 7.8645 119.3088 59.5325 31.6252 179.4733 71 I 3.8619 7.9313 119.3765 63.9402 37.0350 177.4370 72 Q 4.4303 7.4758 116.3565 54.9276 29.1421 175.9908 73 S 4.3125 7.4590 116.0865 57.6755 62.8552 172.6209 74 P 4.0115 0.0000 0.0000 64.1795 31.6109 176.8665 75 Q 4.2057 8.1138 120.2327 54.3303 28.8248 175.2951 76 E 3.8661 8.6397 126.8006 59.4707 29.5677 178.6038 77 K 3.6371 7.8494 118.7134 59.2584 32.1929 178.1941 78 E 3.9090 7.9079 119.0072 58.9629 29.5449 178.5228 79 A 4.1237 7.7685 120.5885 55.1553 18.4382 179.4193 80 L 3.9747 8.0810 117.7022 58.3382 41.6987 179.1582 81 Y 4.4352 8.1506 116.3135 61.4213 37.8384 178.9417 82 A 4.0105 8.1324 121.2648 55.2006 18.4254 179.4721 83 L 3.9997 8.3697 117.8745 58.4953 41.6326 180.0440 84 T 3.9522 8.2632 115.7386 66.5835 68.3242 176.8813 85 V 3.5010 7.9943 120.4001 65.8271 31.5404 177.7197 86 L 4.1687 8.7216 120.4108 58.2688 42.0599 178.4534 87 E 4.2790 8.6546 119.4986 59.7966 29.5863 178.5736 88 M 4.1128 8.4546 118.4160 58.9059 32.2246 177.5945 89 C 4.2081 8.6848 117.1231 60.1383 40.0384 175.9846 90 M 4.1151 8.3164 119.7169 58.3420 31.5818 178.0296 91 N 4.6477 7.9279 115.0423 55.4195 39.0048 176.2481 92 H 4.6840 8.1173 115.6380 55.6389 30.3026 174.9133 93 C 4.4043 7.8300 118.4428 58.8700 29.0415 173.6540 94 G 3.9115 8.7732 108.5001 43.6718 0.0000 173.8383 95 E 3.8631 8.6890 119.1538 59.3435 28.9961 179.1157 96 K 3.8624 7.8586 117.0290 59.3630 32.4842 178.5125 97 F 4.0803 8.1020 120.1628 61.5242 39.3587 176.0078 98 H 3.3866 7.9357 117.6814 59.4250 29.2770 176.5920 99 S 3.9280 8.0100 113.4203 61.4827 62.5001 175.8348 100 E 3.9494 7.8522 121.0962 59.4364 28.9948 179.5916 101 V 2.5481 6.5998 115.9721 65.2316 31.5422 177.1640 102 A 4.0186 7.4575 118.8439 52.6547 18.7797 177.8157 103 K 4.3277 7.1889 117.4891 55.6469 33.2461 178.0735 104 F 4.0387 9.0212 123.6044 61.2351 39.1452 177.4298 105 R 4.0818 8.4146 114.5918 59.7179 29.3235 178.1312 106 F 4.4162 8.4131 120.8158 60.9223 39.4848 176.9330 107 L 3.9089 7.9524 118.6496 57.7268 41.3752 179.0016 108 N 3.9170 8.3269 117.5616 56.5729 38.5808 176.7315 109 E 3.8964 7.5135 118.5550 59.2919 29.5132 179.0221 110 L 3.9690 7.2096 118.4488 57.8734 41.6882 179.5235 111 I 3.7058 7.8070 119.6656 63.8839 36.9015 178.5239 112 K 3.8444 7.7813 119.6387 59.3192 31.5385 179.2546 113 V 3.5490 7.2451 117.6102 65.4363 31.4177 176.4990 114 L 4.2964 7.6774 116.4553 54.1811 41.8166 176.4461 115 S 3.9343 7.8508 115.0213 58.6145 62.3059 172.9964 116 P 4.6526 0.0000 0.0000 62.9624 32.1501 176.3718 117 K 4.1803 7.6132 119.5239 55.9567 32.7366 175.5945 118 Y 4.2784 8.6005 122.9703 59.2272 38.1427 175.8201 119 L 3.4520 8.4751 125.0263 55.5493 39.3062 176.5505 120 G 3.6514 8.2749 108.4998 47.1104 0.0000 174.5185 121 S 4.1819 7.1705 113.4677 57.0013 65.4798 173.6911 122 W 4.7367 7.9200 122.5784 56.0480 28.3156 175.8916 123 A 4.3096 7.8398 122.4517 52.3028 18.5784 178.9446 124 T 4.3628 8.3143 112.4056 61.2066 71.1766 176.1256 125 G 3.6311 8.5035 107.4058 47.2866 0.0000 175.8629 126 K 3.9052 7.9861 121.5971 59.5349 32.2440 178.7412 127 V 3.5951 7.5505 118.0400 66.0304 31.3646 178.0110 128 K 4.0065 8.1269 118.3022 59.3859 31.8098 179.4781 129 G 3.6072 8.3928 106.2117 47.8386 0.0000 175.7668 130 R 4.0806 8.0545 120.8302 59.0427 30.1302 179.1473 131 V 3.5072 7.9211 117.9594 66.2039 31.5346 178.0854 132 I 3.7222 8.0068 119.6471 64.2206 36.9166 178.0105 133 E 3.8994 8.4015 120.4694 59.4891 29.6363 178.8958 134 I 3.4003 8.0327 120.1175 64.1630 37.0182 178.5086 135 L 3.6990 7.7546 119.7607 57.6026 41.5060 179.3124 136 F 3.3987 8.0124 120.5973 60.9967 39.2876 177.0414 137 S 3.1887 7.6652 113.8750 61.1487 62.3360 176.7248 138 W 4.4961 7.6256 122.0804 59.7076 28.6391 178.5881 139 T 4.0793 7.4922 108.7507 64.4449 67.9589 176.1629 140 V 3.5856 6.7246 120.0743 65.1580 31.8182 177.7053 141 W 4.3559 7.8674 117.5898 57.8532 30.3621 176.6755 142 F 5.7472 8.4328 116.6143 54.2195 38.5222 174.1665 143 P 4.3394 0.0000 0.0000 65.0009 32.0278 178.3371 144 E 4.0259 8.2566 116.8861 58.2855 30.1336 175.8884 145 D 4.7235 8.3065 121.0236 53.0304 40.9492 176.9464 146 I 3.7635 8.1918 126.4855 64.3710 37.2727 178.4712 147 K 4.1712 8.1355 118.7746 59.5687 31.9162 179.3414 148 I 3.8829 7.8218 119.6469 64.2781 37.0947 178.2574 149 R 3.9617 8.1583 119.5080 59.7797 29.9470 178.2439 150 D 4.4498 8.8792 118.7421 57.3208 40.7366 178.9136 151 A 4.1237 8.5181 121.4601 55.4111 18.4302 178.9330 152 Y 4.0140 8.1359 118.1092 61.0506 38.7711 178.5002 153 Q 4.0346 8.5428 118.9963 59.0379 28.7542 178.1574 154 M 4.0089 8.3230 119.4402 58.8786 32.2155 178.2173 155 L 3.8997 8.2495 119.3154 57.5390 41.8332 179.4523 156 K 3.8879 7.7979 119.4253 59.5457 31.9448 178.9976 157 K 3.9986 8.4226 117.6830 59.4748 32.0863 178.6759 158 Q 4.2536 8.1653 115.5107 56.0388 28.7648 177.2038 159 G 3.9433 7.8357 108.2512 45.6195 0.0000 174.9925 160 I 3.7514 7.4386 120.5412 62.9624 37.2663 175.9271 161 I 4.3139 7.2794 120.2000 58.8607 38.4740 175.3156 162 K 4.0987 8.7081 125.5294 59.2476 32.6315 177.2388 163 Q 4.5522 7.4042 114.7542 53.6439 31.2484 173.7412 164 D 4.3696 8.6372 118.8691 53.4851 41.5026 175.4079 165 P 4.6945 0.0000 0.0000 61.8002 34.6723 176.0717 166 K 4.5998 8.1297 124.6725 56.8152 31.1650 176.8285 167 L 4.1116 8.3689 125.4465 56.4585 42.5328 174.8374 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 25 S 8.19 4.53 0.00 4.06 4.07 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 26 L 8.71 4.04 0.00 1.95 2.09 0.99 0.38 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 27 E 8.62 4.02 0.00 2.08 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 0.00 2.46 2.53 0.00 28 L 7.70 3.69 0.00 1.53 1.66 0.60 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 29 W 8.27 4.53 0.00 3.66 3.28 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 30 L 8.43 3.55 0.00 1.26 1.72 -0.11 0.85 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 31 N 8.44 4.51 0.00 2.86 2.85 0.00 0.00 6.63 7.35 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 32 K 7.90 4.03 0.00 2.12 1.99 0.00 1.38 0.00 0.00 1.77 0.00 0.00 2.62 0.00 0.00 2.29 0.00 0.00 0.00 0.00 1.45 1.55 7.81 33 A 8.68 4.19 1.30 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 0.00 0.00 34 T 7.62 4.65 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 35 D 8.10 4.30 0.00 2.97 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 36 P 0.00 4.43 0.00 2.12 1.99 0.00 3.82 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 37 S 8.25 4.31 0.00 4.03 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 M 7.59 4.21 0.00 2.45 2.42 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.84 0.00 39 S 9.00 4.29 0.00 3.86 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 40 E 7.81 4.91 0.00 1.98 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 2.24 2.22 0.00 41 Q 8.30 3.65 0.00 0.93 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.25 0.00 0.00 0.00 0.00 0.00 2.07 1.88 0.00 42 D 8.39 4.60 0.00 2.80 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 43 W 8.76 3.71 0.00 3.46 3.39 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 44 S 8.57 4.35 0.00 3.93 4.07 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 45 A 8.66 3.95 1.65 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 0.00 0.00 46 I 7.23 3.52 1.38 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 1.26 0.43 0.55 0.00 0.00 47 Q 7.46 3.76 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.13 2.33 0.00 48 N 7.74 3.79 0.00 1.49 1.42 0.00 0.00 6.66 7.72 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 49 F 8.21 4.16 0.00 3.09 3.17 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 50 C 8.04 3.75 0.00 2.79 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 7.55 3.61 0.00 1.91 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 2.18 2.22 0.00 52 Q 7.69 3.94 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.56 0.00 0.00 0.00 0.00 0.00 2.57 2.76 0.00 53 V 6.94 3.39 1.73 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 0.39 0.00 0.00 -0.05 0.00 0.00 54 N 7.19 4.46 0.00 2.79 2.77 0.00 0.00 7.08 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 55 T 7.57 3.91 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 1.19 0.00 0.00 56 D 8.47 4.50 0.00 2.64 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 57 P 0.00 4.35 0.00 2.20 2.16 0.00 3.80 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 1.97 1.98 0.00 58 N 9.32 4.33 0.00 2.80 2.42 0.00 0.00 6.68 7.61 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 59 G 7.79 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 0.00 0.00 0.00 60 P 0.00 4.37 0.00 2.07 2.15 0.00 3.83 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 61 T 7.92 4.32 4.47 0.00 0.00 0.00 0.00 0.00 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 62 H 8.69 5.05 0.00 3.36 3.52 0.00 5.83 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 63 A 8.51 4.26 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.06 0.00 0.96 1.33 0.00 3.54 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.59 0.00 65 W 7.21 4.67 0.00 3.57 3.40 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 66 L 8.23 4.21 0.00 2.06 1.83 1.14 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.55 4.06 0.00 2.15 1.94 1.25 0.82 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 68 A 8.74 4.08 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.26 4.21 0.00 3.29 3.62 0.00 5.76 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 70 K 7.86 4.11 0.00 2.02 1.86 0.00 1.72 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.66 7.81 71 I 7.93 3.86 2.08 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.73 0.93 0.00 0.00 72 Q 7.48 4.43 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.84 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 73 S 7.46 4.31 0.00 3.81 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.01 0.00 1.57 0.49 0.00 3.64 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.31 0.00 75 Q 8.11 4.21 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.74 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 76 E 8.64 3.87 0.00 2.00 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 2.36 2.39 0.00 77 K 7.85 3.64 0.00 1.64 1.54 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.56 0.49 7.81 78 E 7.91 3.91 0.00 1.98 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 2.36 2.36 0.00 79 A 7.77 4.12 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 3.97 0.00 1.83 1.88 0.96 1.21 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 81 Y 8.15 4.44 0.00 3.19 3.01 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 82 A 8.13 4.01 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 83 L 8.37 4.00 0.00 1.92 1.80 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.26 3.95 4.49 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 1.26 0.00 0.00 85 V 7.99 3.50 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 1.01 0.00 0.00 0.86 0.00 0.00 86 L 8.72 4.17 0.00 1.98 2.05 1.32 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.65 4.28 0.00 2.34 2.30 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 2.53 2.65 0.00 88 M 8.45 4.11 0.00 2.07 1.86 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.29 0.00 89 C 8.68 4.21 0.00 2.93 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 90 M 8.32 4.12 0.00 2.20 2.65 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.55 0.00 91 N 7.93 4.65 0.00 3.14 2.87 0.00 0.00 6.92 8.04 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 92 H 8.12 4.68 0.00 2.98 3.28 0.00 5.85 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.83 4.40 0.00 2.99 2.80 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 94 G 8.77 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 95 E 8.69 3.86 0.00 1.94 1.93 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 2.29 2.31 0.00 96 K 7.86 3.86 0.00 1.76 1.84 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.47 7.81 97 F 8.10 4.08 0.00 3.00 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 98 H 7.94 3.39 0.00 3.20 3.31 0.00 5.85 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.01 3.93 0.00 3.99 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 0.00 100 E 7.85 3.95 0.00 1.64 1.59 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 2.40 2.48 0.00 101 V 6.60 2.55 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 0.34 0.00 0.00 -0.62 0.00 0.00 102 A 7.46 4.02 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 0.00 103 K 7.19 4.33 0.00 2.15 1.88 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.50 1.63 7.81 104 F 9.02 4.04 0.00 3.26 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 R 8.41 4.08 0.00 2.18 2.25 0.00 3.32 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.21 0.00 106 F 8.41 4.42 0.00 3.09 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 0.00 107 L 7.95 3.91 0.00 1.51 1.60 1.10 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.33 3.92 0.00 2.34 2.84 0.00 0.00 7.17 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 7.51 3.90 0.00 1.88 1.89 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 2.66 2.76 0.00 110 L 7.21 3.97 0.00 1.69 1.58 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.81 3.71 1.89 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.80 0.87 0.00 0.00 112 K 7.78 3.84 0.00 1.88 1.75 0.00 1.75 0.00 0.00 1.49 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.62 7.81 113 V 7.25 3.55 2.26 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 0.80 0.00 0.00 0.91 0.00 0.00 114 L 7.68 4.30 0.00 1.70 1.63 0.87 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 115 S 7.85 3.93 0.00 3.85 3.78 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 0.00 0.00 0.00 116 P 0.00 4.65 0.00 2.20 2.12 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 117 K 7.61 4.18 0.00 1.82 1.78 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.40 7.81 118 Y 8.60 4.28 0.00 2.89 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 8.48 3.45 0.00 1.32 1.41 0.09 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 120 G 8.27 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 0.00 0.00 0.00 121 S 7.17 4.18 0.00 3.98 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 0.00 122 W 7.92 4.74 0.00 3.29 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 0.00 123 A 7.84 4.31 1.30 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 0.00 0.00 124 T 8.31 4.36 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 1.24 0.00 0.00 125 G 8.50 3.63 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 0.00 0.00 0.00 126 K 7.99 3.91 0.00 1.84 1.97 0.00 1.74 0.00 0.00 1.93 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.52 7.81 127 V 7.55 3.60 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 1.07 0.00 0.00 0.95 0.00 0.00 128 K 8.13 4.01 0.00 1.98 1.82 0.00 1.72 0.00 0.00 1.63 0.00 0.00 3.11 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.58 1.76 7.81 129 G 8.39 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 0.00 0.00 0.00 130 R 8.05 4.08 0.00 2.02 2.01 0.00 3.48 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 131 V 7.92 3.51 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 0.95 0.00 0.00 0.92 0.00 0.00 132 I 8.01 3.72 2.02 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 1.38 1.13 0.94 0.00 0.00 133 E 8.40 3.90 0.00 2.05 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 0.00 2.27 2.35 0.00 134 I 8.03 3.40 1.67 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.81 -0.05 0.00 0.00 135 L 7.75 3.70 0.00 1.95 1.93 0.94 0.81 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 0.00 136 F 8.01 3.40 0.00 2.76 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 0.00 137 S 7.67 3.19 0.00 2.72 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 0.00 138 W 7.63 4.50 0.00 3.64 3.39 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 0.00 139 T 7.49 4.08 4.07 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 1.14 0.00 0.00 140 V 6.72 3.59 1.50 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 0.65 0.00 0.00 -0.01 0.00 0.00 141 W 7.87 4.36 0.00 2.29 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 0.00 0.00 0.00 0.00 142 F 8.43 5.75 0.00 3.23 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 P 0.00 4.34 0.00 2.20 2.19 0.00 3.91 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 144 E 8.26 4.03 0.00 2.17 2.30 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 2.43 2.31 0.00 145 D 8.31 4.72 0.00 2.95 2.71 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 0.00 0.00 0.00 0.00 146 I 8.19 3.76 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.70 1.01 0.00 0.00 147 K 8.14 4.17 0.00 2.12 2.07 0.00 1.64 0.00 0.00 1.89 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.69 1.76 7.81 148 I 7.82 3.88 2.19 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.75 1.22 0.00 0.00 149 R 8.16 3.96 0.00 1.98 2.20 0.00 3.16 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 150 D 8.88 4.45 0.00 2.97 2.81 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 0.00 151 A 8.52 4.12 1.49 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 0.00 0.00 152 Y 8.14 4.01 0.00 3.22 3.22 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 0.00 153 Q 8.54 4.03 0.00 2.39 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.69 2.61 0.00 154 M 8.32 4.01 0.00 2.16 2.37 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.65 0.00 155 L 8.25 3.90 0.00 1.61 1.54 0.86 0.44 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 0.00 156 K 7.80 3.89 0.00 1.93 1.81 0.00 1.45 0.00 0.00 1.14 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.47 7.81 157 K 8.42 4.00 0.00 1.88 1.85 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.60 7.81 158 Q 8.17 4.25 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.77 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 159 G 7.84 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 0.00 160 I 7.44 3.75 1.80 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 1.26 0.54 0.86 0.00 0.00 161 I 7.28 4.31 1.56 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.45 0.73 0.00 0.00 162 K 8.71 4.10 0.00 1.82 1.90 0.00 1.54 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.38 7.81 163 Q 7.40 4.55 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.97 0.00 0.00 0.00 0.00 0.00 2.18 2.32 0.00 164 D 8.64 4.37 0.00 2.29 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 P 0.00 4.69 0.00 2.11 2.01 0.00 2.95 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.93 0.00 166 K 8.13 4.60 0.00 1.80 1.64 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.46 7.81 167 L 8.37 4.11 0.00 1.65 1.54 1.02 0.75 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