NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4095 8.3349 115.4121 57.6425 64.3268 173.3527 2 S 3.9863 8.5490 119.3140 58.1539 63.0031 172.9176 3 C 4.0073 8.7825 123.7489 60.1683 29.2648 174.2372 4 C 4.5460 8.4623 124.5134 55.4249 41.5560 173.7745 5 S 4.4819 8.8087 123.1900 57.3828 65.0958 175.0245 6 S 4.0847 8.4967 117.5944 61.9124 62.4661 176.9397 7 E 3.9762 8.0688 120.6055 59.4298 29.2069 178.8800 8 D 4.4429 7.9302 120.2399 56.9310 40.8119 179.1258 9 R 3.8391 8.3381 118.6095 59.0590 30.0511 178.8838 10 A 4.0062 8.0376 120.5528 55.2847 18.3515 179.4304 11 N 4.3230 8.1786 114.8741 56.4865 38.6117 177.9164 12 V 3.8237 8.1080 119.7704 66.4827 31.6258 177.9962 13 M 4.2384 8.4436 118.8060 58.5155 31.6605 178.3558 14 H 4.1803 8.5021 118.4296 59.3690 30.0101 177.0223 15 N 4.4502 8.5382 118.3716 56.1320 38.2316 177.2024 16 W 4.3250 8.6751 128.7083 60.6804 31.3455 177.0943 17 D 4.4934 8.6281 117.9881 57.4830 40.4580 178.1535 18 A 4.0416 8.1719 119.8977 54.4608 18.4489 178.5228 19 A 4.2752 7.5175 117.0409 51.4086 19.7108 177.3443 20 W 3.9776 7.3691 127.8099 56.8011 31.3350 175.4621 21 S 4.3781 7.4940 119.7852 56.4949 61.9363 173.5391 22 A 4.3298 8.5561 131.0947 53.6373 18.6753 177.3345 23 A 4.5694 7.8864 115.8487 51.9497 20.7076 175.7820 24 Y 4.6724 7.4103 112.1961 55.3520 42.0165 176.0162 25 S 4.3389 8.5792 117.1177 59.8158 63.7046 176.2504 26 D 4.3094 7.9940 123.1135 57.4931 40.6146 178.3479 27 R 3.7885 7.7644 118.8070 59.3574 30.1540 178.6078 28 R 3.8120 7.6078 115.4847 59.0316 29.4926 178.7647 29 V 3.5278 7.8114 118.7687 65.8008 31.5455 177.8687 30 A 4.1368 8.0042 120.4455 54.9259 18.1677 179.2189 31 L 3.7206 7.9815 118.5701 58.3801 42.1729 179.1373 32 A 3.8777 8.1403 120.5817 55.2075 18.2602 179.4397 33 Q 4.1706 8.7077 116.7181 59.3131 28.8133 179.2014 34 A 3.8956 7.9437 121.6398 54.8749 18.2902 179.8554 35 V 3.0357 7.3406 116.7570 66.0694 31.4418 178.3487 36 F 3.4772 8.0840 117.6134 60.1336 38.6522 177.4227 37 A 4.0198 8.1583 120.6290 55.1909 17.6383 179.6862 38 S 3.9112 7.8378 111.4740 61.3167 62.5170 175.9212 39 L 3.9166 7.8489 123.3889 58.4877 41.3139 179.1324 40 F 4.8668 8.2670 117.8099 60.4469 38.5577 177.7889 41 S 4.1764 8.0068 112.5401 61.4892 62.2916 176.1201 42 R 4.3791 7.9889 119.7531 57.7864 31.0645 176.4022 43 D 4.6490 8.3319 117.8509 51.2117 41.7341 174.9265 44 A 4.2991 8.7831 128.3560 54.1293 18.4538 178.8602 45 A 4.0415 8.2036 118.5767 55.0602 18.4662 179.3849 46 A 4.0752 8.2405 119.2706 55.4473 18.4279 179.4092 47 Q 3.1967 7.7754 117.0549 59.1514 28.7561 178.9516 48 G 3.6649 7.8656 106.4705 47.6411 0.0000 175.4509 49 L 4.0227 7.8022 119.9188 56.5060 41.6959 177.7877 50 F 4.8069 7.7674 117.3937 57.0491 38.9546 177.8614 51 S 4.1697 7.9137 119.6043 61.2037 62.7443 176.4643 52 G 3.7784 8.0632 108.2338 47.2371 0.0000 174.0864 53 V 4.7082 7.5554 113.0678 59.9352 32.7307 175.7912 54 S 3.4666 8.0539 112.7091 59.2635 60.6946 174.6324 55 A 2.9917 8.2307 124.0759 54.7467 18.3700 179.5264 56 D 4.3026 7.9288 114.3380 55.4980 39.5914 176.0575 57 N 4.7958 7.9864 119.1678 50.1624 38.7512 172.4257 58 P 3.9999 0.0000 0.0000 64.6135 31.6449 177.6818 59 D 4.7023 7.7485 116.8881 54.6441 41.3250 177.4519 60 S 4.3717 8.2163 116.0547 57.9212 65.0292 174.9289 61 A 3.9753 8.5483 125.1549 55.3340 18.0619 179.4380 62 D 4.3029 8.1891 116.0642 57.8290 41.2097 178.4205 63 F 4.3490 8.1918 122.1906 60.6467 39.3510 177.4019 64 R 3.8305 8.4588 117.9406 59.0372 29.8030 178.7813 65 A 3.9769 8.4857 121.0880 55.3162 18.2777 179.0431 66 H 4.0203 7.9493 116.1806 59.6223 29.8516 177.0082 67 C 3.9571 7.7579 118.5536 62.9263 27.8858 176.3056 68 V 3.6285 7.8432 119.4978 66.2288 31.0308 178.2390 69 R 3.9776 8.1528 117.7363 59.2118 29.9042 179.3285 70 V 3.6954 8.0857 118.1998 66.1835 31.6193 178.3569 71 V 4.0356 8.2269 118.1597 65.9129 31.2928 177.4163 72 N 4.6557 8.8682 117.4674 56.8321 38.8566 177.0270 73 G 3.6899 8.4504 107.2404 47.8432 0.0000 175.4131 74 L 3.8276 8.2367 122.8044 57.6335 42.1048 178.4252 75 D 4.1110 8.6875 118.5813 57.2289 40.9378 178.4708 76 V 3.4876 7.9104 117.6627 65.8996 31.8583 177.4935 77 A 4.0044 7.7777 120.4508 55.2479 18.1934 179.6307 78 I 3.3729 7.7123 118.6387 64.4823 36.9047 178.1923 79 N 4.4903 7.9063 115.2066 55.1372 38.6270 176.1675 80 M 4.3603 7.5568 119.5448 55.2431 32.2104 177.6847 81 L 3.9154 7.5118 120.5260 57.3767 41.8272 178.0621 82 N 4.7195 7.8533 113.3603 52.9688 40.4458 174.6671 83 D 4.8364 7.9457 120.1825 50.9776 41.2078 174.1021 84 P 4.1886 0.0000 0.0000 65.5384 31.6253 178.3686 85 A 3.9289 7.9446 120.4406 55.1143 18.2767 179.6103 86 V 3.5246 7.6119 116.1559 65.8039 31.7196 177.4824 87 L 3.8301 7.9197 120.2880 58.6264 41.8183 178.7842 88 N 4.2875 8.4163 116.3021 56.4476 38.4517 177.2905 89 E 3.9726 7.7837 119.2666 59.2494 29.4813 179.1481 90 Q 3.9404 8.0418 119.6544 59.2995 29.1355 178.4075 91 L 3.9306 8.3206 120.1944 57.5732 41.6092 179.3229 92 A 4.0087 8.0886 120.9449 55.1593 18.3862 179.1877 93 H 4.0420 8.2116 116.7587 59.5443 30.0495 177.5672 94 L 4.0908 8.1507 120.8967 57.6772 41.3794 179.4261 95 S 4.3974 8.7750 114.6579 60.8598 62.2846 175.9046 96 A 4.0044 8.0067 123.3296 55.5485 17.8390 179.6608 97 Q 3.9448 7.7286 114.8014 59.4674 29.0730 178.4326 98 H 4.4193 8.5326 117.1671 58.6452 28.5835 177.7407 99 Q 4.0824 8.4703 119.6094 58.7918 28.6271 178.1150 100 A 4.4431 7.7483 119.0483 52.3051 18.9571 177.2954 101 R 4.2788 7.6777 117.6766 53.6577 30.5174 175.6349 102 A 4.1915 8.3752 126.6602 53.7339 18.7179 177.2959 103 G 4.0135 8.9618 111.5374 45.1924 0.0000 173.9752 104 V 3.7389 7.3605 119.5397 62.7014 32.0468 174.9629 105 A 5.0642 8.7847 128.4315 49.8566 22.5789 176.1122 106 A 4.1728 8.5487 122.1214 55.5209 18.7208 180.4086 107 A 4.2768 8.1884 117.1574 55.7506 18.2720 179.3658 108 H 4.2676 8.4275 114.7667 59.0876 28.6278 177.9959 109 F 4.1126 8.4842 119.6844 60.3496 38.6787 177.4945 110 D 4.4886 8.1898 119.1019 57.3956 40.6498 178.9281 111 V 3.6620 7.8594 118.3713 66.0624 31.5339 177.5420 112 M 4.0131 8.4777 118.0550 58.5740 32.0415 177.9839 113 A 3.6617 8.5132 121.0900 55.2242 18.6080 179.3574 114 E 3.9066 8.3000 116.8212 59.4598 29.5179 179.5089 115 A 3.9290 7.9318 121.9181 54.7287 18.4058 179.7029 116 F 3.7675 8.3468 116.3492 60.5869 38.6972 177.8381 117 A 4.0366 8.0744 119.6619 54.9458 18.1926 179.0184 118 E 3.9373 7.9876 117.4106 59.1130 29.9744 178.6525 119 V 3.6525 7.3914 118.0321 65.6244 31.7035 177.7541 120 M 3.5119 7.7832 118.7791 57.7902 31.4261 176.8511 121 P 3.9506 0.0000 0.0000 64.3495 31.6063 177.5880 122 Q 4.2414 7.5693 115.5636 56.4456 29.0942 176.3939 123 V 4.2347 7.2318 110.4694 60.2481 34.0575 175.1748 124 S 4.7033 7.7520 114.5773 56.0690 63.9411 173.6680 125 S 4.3335 8.6471 123.8880 59.7569 63.5810 173.7228 126 C 4.1498 8.7263 120.6230 60.6751 25.5626 173.6696 127 F 4.5023 8.2448 120.2186 58.4106 39.9989 175.4767 128 S 4.3666 8.6385 125.6464 56.7926 62.2470 175.1355 129 S 3.8653 7.9169 122.5619 61.3611 62.9880 176.1071 130 D 4.3670 7.9508 122.2189 57.1038 40.3231 178.8124 131 S 4.2291 7.9458 115.1605 61.1698 62.8934 176.3027 132 W 4.0736 8.1750 131.0260 60.6239 30.6321 177.6916 133 N 4.4906 8.7363 116.7590 56.5833 38.1286 177.6997 134 R 3.9387 8.0777 119.3605 59.4198 30.1939 178.4032 135 C 4.2098 8.2052 116.1849 59.3029 35.3146 175.7828 136 F 3.2752 8.2045 122.5539 60.8971 38.8122 176.9180 137 A 3.9535 7.8665 120.0011 55.1928 18.3306 179.4077 138 R 3.7128 7.6483 116.7441 59.6274 30.1452 178.8424 139 I 3.5188 7.2991 118.9905 64.2258 37.0910 178.1063 140 A 3.7898 7.8322 121.7527 55.3785 18.0537 179.4446 141 N 4.2879 7.9125 116.6704 55.7076 38.2923 177.9360 142 G 3.4606 7.2574 105.5025 47.6848 0.0000 175.6353 143 I 3.8026 7.3786 121.9283 63.7361 36.8237 177.9378 144 S 3.8738 7.6982 113.2870 57.7333 63.1713 174.0047 145 A 3.9180 6.7825 127.0312 53.9509 18.4059 177.8759 146 G 3.9755 9.3835 110.8716 45.1563 0.0000 173.3756 147 L 4.3356 7.8666 125.8163 55.7376 40.6641 176.1724 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 S 8.33 4.41 0.00 3.98 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 2 S 8.55 3.99 0.00 3.96 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 3 C 8.78 4.01 0.00 2.93 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 4 C 8.46 4.55 0.00 2.92 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 5 S 8.81 4.48 0.00 4.18 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.50 4.08 0.00 3.87 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 7 E 8.07 3.98 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 8 D 7.93 4.44 0.00 2.91 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.34 3.84 0.00 1.95 1.93 0.00 3.08 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 10 A 8.04 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.18 4.32 0.00 2.97 2.90 0.00 0.00 6.71 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 12 V 8.11 3.82 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 1.11 0.00 0.00 0.99 0.00 0.00 13 M 8.44 4.24 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.65 0.00 14 H 8.50 4.18 0.00 3.43 3.56 0.00 5.79 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 15 N 8.54 4.45 0.00 3.31 3.21 0.00 0.00 6.73 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 W 8.68 4.32 0.00 3.67 3.36 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 17 D 8.63 4.49 0.00 2.93 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 18 A 8.17 4.04 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 19 A 7.52 4.28 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 W 7.37 3.98 0.00 3.27 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 7.49 4.38 0.00 3.62 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.56 4.33 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 23 A 7.89 4.57 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 24 Y 7.41 4.67 0.00 2.84 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 25 S 8.58 4.34 0.00 4.01 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 D 7.99 4.31 0.00 2.74 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 27 R 7.76 3.79 0.00 1.72 1.67 0.00 3.01 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 1.49 1.54 0.00 28 R 7.61 3.81 0.00 2.05 1.77 0.00 2.97 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 29 V 7.81 3.53 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 0.93 0.00 0.00 1.02 0.00 0.00 30 A 8.00 4.14 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 31 L 7.98 3.72 0.00 1.79 1.85 0.88 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.14 3.88 1.47 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 0.00 0.00 0.00 33 Q 8.71 4.17 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.59 2.64 0.00 34 A 7.94 3.90 1.25 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 0.00 0.00 0.00 35 V 7.34 3.04 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 -0.15 0.00 0.00 36 F 8.08 3.48 0.00 3.05 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 37 A 8.16 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 38 S 7.84 3.91 0.00 3.79 3.84 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 39 L 7.85 3.92 0.00 1.49 1.37 0.99 0.94 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 40 F 8.27 4.87 0.00 3.07 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.01 4.18 0.00 3.98 4.08 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 42 R 7.99 4.38 0.00 2.03 2.01 0.00 3.23 0.00 0.00 3.32 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 43 D 8.33 4.65 0.00 2.74 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 44 A 8.78 4.30 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 45 A 8.20 4.04 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.24 4.08 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 7.78 3.20 0.00 1.30 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 1.91 1.16 0.00 48 G 7.87 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.80 4.02 0.00 1.26 1.31 0.74 0.76 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 50 F 7.77 4.81 0.00 3.22 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 51 S 7.91 4.17 0.00 3.93 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.06 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 0.00 0.00 0.00 53 V 7.56 4.71 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 1.29 0.00 0.00 1.18 0.00 0.00 54 S 8.05 3.47 0.00 4.13 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 55 A 8.23 2.99 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 56 D 7.93 4.30 0.00 2.71 2.72 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 57 N 7.99 4.80 0.00 2.71 2.66 0.00 0.00 6.77 8.49 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 58 P 0.00 4.00 0.00 2.27 1.93 0.00 3.72 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 1.96 1.94 0.00 59 D 7.75 4.70 0.00 2.86 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 60 S 8.22 4.37 0.00 4.07 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 61 A 8.55 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.19 4.30 0.00 2.84 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 63 F 8.19 4.35 0.00 3.40 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 64 R 8.46 3.83 0.00 2.09 1.97 0.00 3.21 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.90 0.00 65 A 8.49 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 H 7.95 4.02 0.00 3.18 3.04 0.00 5.80 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 67 C 7.76 3.96 0.00 3.11 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 68 V 7.84 3.63 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 1.17 0.00 0.00 1.00 0.00 0.00 69 R 8.15 3.98 0.00 2.09 2.03 0.00 3.24 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 70 V 8.09 3.70 2.27 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 1.27 0.00 0.00 1.08 0.00 0.00 71 V 8.23 4.04 2.33 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 1.55 0.00 0.00 1.24 0.00 0.00 72 N 8.87 4.66 0.00 3.10 3.14 0.00 0.00 7.05 8.59 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 73 G 8.45 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 74 L 8.24 3.83 0.00 1.79 1.89 0.49 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.69 4.11 0.00 3.15 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 7.91 3.49 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.97 0.00 0.00 77 A 7.78 4.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.71 3.37 1.44 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.10 0.64 0.00 0.00 79 N 7.91 4.49 0.00 2.83 2.80 0.00 0.00 7.02 7.02 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 80 M 7.56 4.36 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.50 0.00 81 L 7.51 3.92 0.00 1.63 1.64 0.77 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 82 N 7.85 4.72 0.00 2.65 2.82 0.00 0.00 6.59 8.06 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 83 D 7.95 4.84 0.00 2.61 2.44 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 84 P 0.00 4.19 0.00 2.25 2.24 0.00 3.72 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 85 A 7.94 3.93 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 86 V 7.61 3.52 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.03 0.00 0.00 87 L 7.92 3.83 0.00 1.89 1.71 0.82 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.42 4.29 0.00 2.87 2.81 0.00 0.00 7.10 7.36 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 89 E 7.78 3.97 0.00 2.21 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 2.50 2.44 0.00 90 Q 8.04 3.94 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 91 L 8.32 3.93 0.00 1.62 1.59 0.78 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.09 4.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 H 8.21 4.04 0.00 3.40 3.53 0.00 5.79 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 94 L 8.15 4.09 0.00 1.89 1.79 0.92 0.78 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 95 S 8.77 4.40 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 96 A 8.01 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Q 7.73 3.94 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 98 H 8.53 4.42 0.00 3.38 3.57 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 8.47 4.08 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 100 A 7.75 4.44 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 0.00 101 R 7.68 4.28 0.00 1.95 1.81 0.00 3.24 0.00 0.00 3.14 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 102 A 8.38 4.19 1.24 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 0.00 103 G 8.96 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 0.00 104 V 7.36 3.74 2.28 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 1.02 0.00 0.00 0.90 0.00 0.00 105 A 8.78 5.06 1.29 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 0.00 106 A 8.55 4.17 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 0.00 107 A 8.19 4.28 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 0.00 108 H 8.43 4.27 0.00 3.47 3.33 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 F 8.48 4.11 0.00 3.37 3.23 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 0.00 110 D 8.19 4.49 0.00 2.91 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 0.00 111 V 7.86 3.66 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 1.09 0.00 0.00 1.08 0.00 0.00 112 M 8.48 4.01 0.00 2.48 2.12 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.09 2.85 0.00 113 A 8.51 3.66 1.61 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 0.00 114 E 8.30 3.91 0.00 2.27 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 2.37 2.53 0.00 115 A 7.93 3.93 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 0.00 116 F 8.35 3.77 0.00 2.68 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 0.00 117 A 8.07 4.04 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 E 7.99 3.94 0.00 2.00 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 2.22 2.24 0.00 119 V 7.39 3.65 1.76 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 0.76 0.00 0.00 0.73 0.00 0.00 120 M 7.78 3.51 0.00 0.51 0.90 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.42 0.00 121 P 0.00 3.95 0.00 1.89 2.10 0.00 3.38 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 122 Q 7.57 4.24 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 123 V 7.23 4.23 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 0.57 0.00 0.00 0.79 0.00 0.00 124 S 7.75 4.70 0.00 3.75 3.71 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 0.00 125 S 8.65 4.33 0.00 3.94 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 0.00 126 C 8.73 4.15 0.00 3.16 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 0.00 127 F 8.24 4.50 0.00 3.08 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 0.00 128 S 8.64 4.37 0.00 3.75 3.70 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 0.00 129 S 7.92 3.87 0.00 4.15 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 D 7.95 4.37 0.00 2.77 2.76 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 0.00 131 S 7.95 4.23 0.00 3.85 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 0.00 132 W 8.17 4.07 0.00 3.50 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 0.00 133 N 8.74 4.49 0.00 2.97 2.95 0.00 0.00 7.11 7.21 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 0.00 134 R 8.08 3.94 0.00 1.84 1.93 0.00 3.42 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 135 C 8.21 4.21 0.00 2.81 2.87 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 0.00 136 F 8.20 3.28 0.00 2.24 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 0.00 137 A 7.87 3.95 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 R 7.65 3.71 0.00 1.85 1.98 0.00 3.03 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 139 I 7.30 3.52 1.37 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.52 0.51 0.00 0.00 140 A 7.83 3.79 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 N 7.91 4.29 0.00 2.67 2.78 0.00 0.00 6.48 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 0.00 142 G 7.26 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 I 7.38 3.80 1.61 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 1.50 1.18 0.87 0.00 0.00 144 S 7.70 3.87 0.00 3.63 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 0.00 145 A 6.78 3.92 1.24 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 0.00 146 G 9.38 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 147 L 7.87 4.34 0.00 1.90 1.73 1.05 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00