NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 F 4.9419 8.3093 119.4222 56.9798 39.5652 174.7777 4 S 3.9528 8.6239 121.2786 58.0497 64.0378 171.5925 5 E 3.9119 9.1319 124.9944 59.4555 29.7016 179.8324 6 E 4.1754 8.2471 119.1401 59.4172 29.4319 178.8246 7 Q 3.9336 7.6460 117.1885 59.4872 28.8519 177.9229 8 T 3.0020 7.7517 118.1441 66.1786 68.2172 176.1769 9 A 3.9002 8.6497 122.4972 55.1924 18.5993 179.2338 10 E 4.3042 7.7321 116.2333 59.2147 29.6154 179.0642 11 F 4.4930 9.2405 119.3580 61.0463 39.0648 177.8199 12 K 4.0894 8.0240 117.6718 59.8872 31.7124 179.0280 13 E 4.0126 8.5270 118.5335 59.3261 29.0875 179.5096 14 A 4.0831 7.9443 119.4479 55.0196 19.1205 178.7524 15 F 3.9627 9.0072 119.5024 61.7703 39.2557 177.1434 16 Q 4.3190 8.8563 116.3747 58.8365 28.8862 179.4173 17 L 4.4071 7.5598 121.1824 54.4991 42.1380 177.5480 18 F 4.5964 7.5262 110.4232 57.1594 41.5772 173.9034 19 D 4.8201 7.9276 120.4536 52.1258 42.7565 175.4231 20 R 4.0953 8.8995 127.7285 59.3727 31.7074 176.8972 21 T 3.8939 8.4478 106.3710 62.4993 67.4873 174.3075 22 G 4.1322 9.1177 114.7254 45.5591 0.0000 175.1810 23 D 4.3569 8.4758 119.5893 55.1283 39.0522 177.4791 24 G 4.1108 8.3582 106.0491 45.6228 0.0000 173.0589 25 K 5.7531 8.6420 117.3929 53.3879 35.5457 176.5799 26 I 4.2079 8.2830 124.5424 59.2563 39.0560 174.9704 27 L 4.2632 8.6505 127.1429 55.5934 42.0331 178.1115 28 Y 4.2535 9.0694 121.0592 61.7618 38.0222 179.2027 29 S 4.2181 8.4598 114.5369 61.4749 63.2976 176.2534 30 Q 3.7986 8.2570 122.3041 58.3448 28.3280 179.1708 31 C 3.7332 7.9107 119.4512 62.5296 31.6574 175.5587 32 G 3.7882 7.7017 106.9046 48.5209 0.0000 175.1009 33 D 4.3416 7.9020 121.1386 56.6968 40.8344 179.1014 34 V 2.8023 7.3916 118.6764 65.8452 31.3119 178.1275 35 M 4.1001 8.1718 118.6552 58.2856 31.7314 178.7876 36 R 4.6650 8.3685 119.4210 59.0615 30.1236 178.7480 37 A 3.8586 8.6600 120.2275 55.3324 18.2600 178.6219 38 L 4.4040 7.3748 114.9542 54.6685 41.7360 177.2140 39 G 3.8573 8.6901 106.8960 46.6000 0.0000 173.6581 40 Q 4.6840 7.8393 119.9185 54.0895 31.1761 175.3215 41 N 5.1813 8.3140 120.5532 51.8522 39.3467 173.5191 42 P 4.5394 0.0000 0.0000 62.6463 32.5328 177.0920 43 T 4.1687 9.3813 113.4773 61.4416 70.5002 175.2563 44 N 4.3495 8.6615 117.7576 56.1366 38.3298 177.6132 45 A 4.0569 7.9366 122.0905 55.1434 18.4910 179.4035 46 E 3.9111 8.2182 115.1040 59.1155 29.6193 179.1315 47 V 3.8388 7.2880 117.6128 65.5089 31.8723 177.6627 48 M 3.9611 7.6464 116.7209 58.3724 31.8767 177.8024 49 K 3.8205 8.1105 119.7450 59.2955 32.3304 177.0924 50 V 4.2554 7.1064 115.7761 62.8870 31.3981 175.8246 51 L 4.4503 7.9668 115.0360 52.9005 43.4661 177.1705 52 G 3.8203 8.3417 105.9402 45.8987 0.0000 174.1393 53 N 4.1471 8.2386 113.0717 53.6479 35.9240 173.2249 54 P 4.7071 0.0000 0.0000 61.9195 33.4668 175.7654 55 K 4.5666 8.1324 117.4049 56.7243 35.7047 178.8936 56 S 3.6231 7.7712 117.8368 60.0116 65.4366 175.1440 57 D 4.3587 8.0915 121.3260 56.1496 38.9199 178.2962 58 E 4.1079 8.4827 118.9622 57.5789 29.5145 177.9725 59 M 4.4283 7.8252 118.7771 56.4378 32.3741 175.8939 60 N 4.9085 7.9625 116.0673 53.1933 40.2184 174.0972 61 L 4.5092 7.6281 115.0506 56.9646 43.7335 177.1532 62 K 3.9558 7.7104 118.1053 57.1080 33.0469 175.9524 63 T 5.3844 8.2128 111.9420 60.0771 72.4956 172.5239 64 L 5.3974 8.5514 118.5342 52.2887 46.5493 175.9004 65 K 4.8815 8.6652 120.2701 54.4673 35.1561 176.7428 66 F 2.8289 8.5014 126.7264 61.3784 39.0638 177.2376 67 E 3.9838 8.4479 116.9440 59.3254 29.3740 178.0178 68 Q 4.2644 8.4132 116.7489 57.5416 29.1569 177.8077 69 F 4.1056 7.6960 122.8182 60.8643 39.6127 176.4520 70 L 3.4152 8.3270 121.3762 57.7867 41.9026 177.2181 71 P 4.9858 0.0000 0.0000 65.2462 30.7339 177.8788 72 M 4.5258 7.9189 120.0003 57.0673 32.2465 177.6773 73 M 3.5751 7.1937 117.8850 59.0552 32.1429 178.1125 74 Q 4.0917 8.1626 117.6222 59.2484 28.9775 178.7012 75 T 3.8311 7.4705 109.3343 65.5879 68.4725 175.4325 76 I 3.7506 8.2880 121.7962 63.4888 37.2193 178.5101 77 A 3.8839 7.9670 123.5353 54.6026 19.0090 177.7359 78 K 4.2870 7.8090 117.7643 55.2067 31.6644 175.4628 79 N 5.1404 8.1689 120.1166 51.0102 42.6275 175.1472 80 K 4.2198 8.6080 117.8687 58.9235 32.8488 176.6454 81 D 4.8754 8.1644 118.0464 55.0572 43.3619 174.4172 82 Q 4.8391 8.0620 126.3424 56.8631 31.1588 174.7516 83 G 2.9070 7.8216 111.8112 44.5816 0.0000 172.5799 84 C 4.7857 6.7865 109.5360 57.8705 30.9415 174.4371 85 F 3.6347 8.5379 123.8792 61.5774 40.3106 178.6650 86 E 3.8771 7.4103 120.8123 58.6012 30.4640 178.5782 87 D 4.7388 7.8935 118.6254 56.0357 41.4689 177.8542 88 Y 4.4326 9.8576 115.9535 62.2422 37.8255 179.5215 89 V 3.3561 7.8408 112.7615 64.2397 31.2752 178.1782 90 E 3.9151 7.9122 118.7850 59.0710 29.1148 179.2235 91 G 3.6198 7.8515 105.2566 47.3431 0.0000 175.9837 92 L 4.2320 7.5066 121.0466 57.3318 41.5599 178.9430 93 R 3.5923 7.3890 117.5333 57.9290 29.9769 176.9086 94 V 3.6952 7.0765 115.2780 64.4377 31.6605 176.0779 95 F 4.8820 8.2091 116.6406 57.9303 39.6165 176.3864 96 D 4.7666 8.3053 122.9306 53.9657 39.3600 177.6208 97 K 4.7209 7.4001 124.0577 58.5464 34.6433 176.3898 98 E 4.6464 8.5574 117.3277 57.2816 31.0350 174.8312 99 G 4.3425 8.2801 102.9284 46.1590 0.0000 172.1912 100 N 4.3187 8.2533 119.5589 54.7291 38.5045 176.4683 101 G 4.0663 9.7235 105.2729 44.5381 0.0000 173.0462 102 T 4.5772 7.2426 108.1691 59.6456 72.1026 173.3819 103 V 4.6167 8.4140 122.3489 61.0474 35.4254 174.5437 104 M 4.4003 8.6661 125.9827 54.9932 32.5059 177.5908 105 G 4.2412 9.4521 110.5124 45.6784 0.0000 174.2597 106 A 4.2513 8.0624 123.1650 53.3832 20.8308 178.9894 107 E 4.0236 7.8431 116.6234 59.4184 29.6022 179.3347 108 I 3.5535 7.5866 119.3976 64.3773 37.0759 178.3128 109 R 3.9220 7.2822 117.7672 60.0769 29.8295 176.7972 110 H 4.3932 8.4271 118.9577 56.9528 29.6896 177.5683 111 V 3.2779 7.0265 118.7377 65.9434 32.2914 178.4072 112 L 4.0551 7.7203 118.4039 56.5674 41.3330 178.0920 113 V 4.8135 8.9748 118.7860 61.9663 31.8718 176.3781 114 T 4.5565 7.8827 103.7424 62.0157 71.8513 172.9770 115 L 4.7867 7.4355 121.0408 53.8882 46.4709 178.3448 116 G 3.7103 8.6677 109.5526 46.6854 0.0000 176.1202 117 E 4.2876 8.6405 114.7925 55.8332 27.0356 176.0803 118 K 3.7743 7.7850 116.8550 57.4656 33.0674 177.7774 119 M 4.6673 8.2159 125.3145 54.8573 34.5922 175.3329 120 T 4.6771 8.7549 109.4344 60.2176 71.8110 175.4575 121 E 3.9440 8.8973 120.9879 59.9336 29.1959 179.3437 122 E 3.9005 8.0687 118.7990 59.2437 29.4840 178.3296 123 E 3.8987 8.0937 117.1825 60.1609 29.8848 179.6781 124 V 3.7213 7.9532 111.6128 64.5324 31.7007 177.8523 125 E 3.8314 7.9940 118.6913 59.9774 29.1731 178.9669 126 Q 4.0213 8.2729 117.4712 59.5478 28.8353 178.1966 127 L 4.0903 7.6812 121.3445 57.5854 42.3612 178.7911 128 V 3.7814 7.7804 111.1746 63.3607 31.6806 175.8073 129 A 3.7966 7.4509 121.0775 54.2659 17.5856 177.1579 130 G 4.0610 9.4345 111.2029 46.1462 0.0000 172.8669 131 H 4.7886 8.4381 114.3872 54.8579 30.7773 173.1799 132 E 4.5945 7.9732 120.5830 55.4970 31.0254 176.0262 133 D 5.0206 8.4225 125.2203 52.7765 41.2574 177.2649 134 S 4.0893 8.8195 111.4748 61.8820 63.0298 174.6875 135 N 4.7323 8.3515 116.1029 52.4156 38.4939 174.7946 136 G 3.9921 7.9702 105.6849 46.8763 0.0000 173.0846 137 C 4.9286 8.8985 117.0537 57.7631 30.5031 173.3945 138 I 5.1758 8.3432 124.1327 58.8915 40.0523 174.4873 139 N 4.6442 8.4822 124.6703 52.0669 39.4350 174.5960 140 Y 4.2002 8.4428 124.9258 60.9119 38.4827 179.6164 141 E 4.0487 8.4181 120.4563 58.4638 30.2475 179.5322 142 E 4.0588 8.1924 117.8281 59.2312 29.7443 178.7285 143 L 3.9704 8.1361 120.2103 58.8709 41.9618 178.9213 144 V 3.5113 8.9745 118.7080 66.3368 31.3805 177.9121 145 R 4.0460 8.3506 116.9008 59.7795 30.2018 178.3669 146 M 3.9929 8.7086 117.9559 59.2608 31.9728 178.7844 147 V 3.6949 7.5821 111.2080 63.7170 31.9169 178.1893 148 L 4.0621 8.4498 118.2741 55.9444 41.1529 177.9056 149 S 4.1928 6.3843 125.6981 61.7952 64.1458 175.2758 150 G 3.7673 7.8334 112.8772 45.7000 0.0000 173.3427 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 3 F 8.31 4.94 0.00 3.08 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.62 3.95 0.00 4.13 4.06 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 5 E 9.13 3.91 0.00 2.08 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 2.35 2.40 0.00 6 E 8.25 4.18 0.00 2.06 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 2.37 2.39 0.00 7 Q 7.65 3.93 0.00 1.85 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.49 0.00 0.00 0.00 0.00 0.00 2.41 1.85 0.00 8 T 7.75 3.00 4.45 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 1.31 0.00 0.00 9 A 8.65 3.90 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 10 E 7.73 4.30 0.00 2.28 2.16 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 2.40 2.78 0.00 11 F 9.24 4.49 0.00 3.50 3.57 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 12 K 8.02 4.09 0.00 1.67 1.54 0.00 1.64 0.00 0.00 1.37 0.00 0.00 2.64 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.34 1.50 7.81 13 E 8.53 4.01 0.00 2.14 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 2.58 0.00 14 A 7.94 4.08 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 15 F 9.01 3.96 0.00 3.15 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 16 Q 8.86 4.32 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.44 0.00 0.00 0.00 0.00 0.00 2.60 2.65 0.00 17 L 7.56 4.41 0.00 1.72 1.84 0.82 0.77 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 18 F 7.53 4.60 0.00 3.09 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 19 D 7.93 4.82 0.00 2.59 2.55 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 20 R 8.90 4.10 0.00 1.81 1.95 0.00 3.28 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 21 T 8.45 3.89 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 1.21 0.00 0.00 22 G 9.12 4.13 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 0.00 23 D 8.48 4.36 0.00 2.84 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.36 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 25 K 8.64 5.75 0.00 1.82 1.75 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.49 7.81 26 I 8.28 4.21 1.55 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.24 0.38 0.65 0.00 0.00 27 L 8.65 4.26 0.00 1.61 1.66 0.99 0.90 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 28 Y 9.07 4.25 0.00 2.75 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 29 S 8.46 4.22 0.00 4.05 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 30 Q 8.26 3.80 0.00 1.84 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.72 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 31 C 7.91 3.73 0.00 2.93 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 32 G 7.70 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 7.90 4.34 0.00 2.60 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 34 V 7.39 2.80 1.72 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 0.46 0.00 0.00 -0.76 0.00 0.00 35 M 8.17 4.10 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.72 0.00 36 R 8.37 4.66 0.00 2.00 1.99 0.00 3.26 0.00 0.00 3.27 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 37 A 8.66 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.37 4.40 0.00 1.67 1.38 0.05 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.69 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 0.00 0.00 0.00 40 Q 7.84 4.68 0.00 2.35 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.41 6.90 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 41 N 8.31 5.18 0.00 2.75 2.79 0.00 0.00 7.00 8.02 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 42 P 0.00 4.54 0.00 2.16 2.05 0.00 3.84 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 1.94 0.00 43 T 9.38 4.17 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 1.32 0.00 0.00 44 N 8.66 4.35 0.00 3.11 2.91 0.00 0.00 6.70 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 45 A 7.94 4.06 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 46 E 8.22 3.91 0.00 2.09 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 2.31 2.38 0.00 47 V 7.29 3.84 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 0.96 0.00 0.00 0.96 0.00 0.00 48 M 7.65 3.96 0.00 2.21 2.03 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 2.61 2.59 0.00 49 K 8.11 3.82 0.00 1.71 1.94 0.00 1.83 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.38 7.81 50 V 7.11 4.26 1.99 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 0.77 0.00 0.00 0.88 0.00 0.00 51 L 7.97 4.45 0.00 1.65 1.54 0.63 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.34 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 53 N 8.24 4.15 0.00 2.83 2.83 0.00 0.00 7.13 8.02 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 54 P 0.00 4.71 0.00 2.17 2.14 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.60 0.00 55 K 8.13 4.57 0.00 2.24 1.86 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.50 7.81 56 S 7.77 3.62 0.00 4.04 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 57 D 8.09 4.36 0.00 2.88 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 58 E 8.48 4.11 0.00 2.11 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 2.52 2.48 0.00 59 M 7.83 4.43 0.00 2.09 2.29 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.79 0.00 60 N 7.96 4.91 0.00 2.67 2.77 0.00 0.00 7.00 7.11 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 61 L 7.63 4.51 0.00 1.57 1.62 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.71 3.96 0.00 1.07 0.74 0.00 1.07 0.00 0.00 1.44 0.00 0.00 2.66 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.16 0.98 7.81 63 T 8.21 5.38 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 1.25 0.00 0.00 64 L 8.55 5.40 0.00 2.09 1.88 0.95 1.05 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 65 K 8.67 4.88 0.00 1.72 1.71 0.00 1.77 0.00 0.00 1.80 0.00 0.00 2.85 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.49 7.81 66 F 8.50 2.83 0.00 2.56 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 67 E 8.45 3.98 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 2.36 2.38 0.00 68 Q 8.41 4.26 0.00 2.35 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.71 0.00 69 F 7.70 4.11 0.00 3.08 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 70 L 8.33 3.42 0.00 1.26 1.65 1.26 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.99 0.00 2.25 2.29 0.00 3.67 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.98 0.00 72 M 7.92 4.53 0.00 1.81 1.88 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.27 0.00 73 M 7.19 3.58 0.00 1.95 1.52 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.07 0.00 74 Q 8.16 4.09 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.36 0.00 0.00 0.00 0.00 0.00 2.64 2.75 0.00 75 T 7.47 3.83 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 1.19 0.00 0.00 76 I 8.29 3.75 1.99 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.66 0.90 0.00 0.00 77 A 7.97 3.88 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 78 K 7.81 4.29 0.00 1.70 1.73 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.40 7.81 79 N 8.17 5.14 0.00 2.65 2.69 0.00 0.00 7.21 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 80 K 8.61 4.22 0.00 1.71 1.84 0.00 1.56 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.50 7.81 81 D 8.16 4.88 0.00 2.58 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 82 Q 8.06 4.84 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.99 0.00 0.00 0.00 0.00 0.00 2.13 2.06 0.00 83 G 7.82 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 0.00 0.00 0.00 84 C 6.79 4.79 0.00 3.25 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 85 F 8.54 3.63 0.00 3.26 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 86 E 7.41 3.88 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 87 D 7.89 4.74 0.00 2.51 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 88 Y 9.86 4.43 0.00 3.05 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 89 V 7.84 3.36 1.57 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 -0.80 0.00 0.00 0.58 0.00 0.00 90 E 7.91 3.92 0.00 2.00 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 2.23 2.29 0.00 91 G 7.85 3.62 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 0.00 0.00 0.00 92 L 7.51 4.23 0.00 1.33 1.73 0.93 0.91 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 93 R 7.39 3.59 0.00 1.14 1.74 0.00 3.37 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 94 V 7.08 3.70 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 0.40 0.00 0.00 0.76 0.00 0.00 95 F 8.21 4.88 0.00 3.19 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 96 D 8.31 4.77 0.00 3.03 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 97 K 7.40 4.72 0.00 1.83 1.81 0.00 1.85 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.56 7.81 98 E 8.56 4.65 0.00 2.16 1.82 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 2.25 2.28 0.00 99 G 8.28 4.34 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 0.00 100 N 8.25 4.32 0.00 2.72 2.90 0.00 0.00 7.15 7.26 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 0.00 101 G 9.72 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 0.00 0.00 0.00 102 T 7.24 4.58 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 1.10 0.00 0.00 103 V 8.41 4.62 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 1.17 0.00 0.00 1.28 0.00 0.00 104 M 8.67 4.40 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.57 0.00 105 G 9.45 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 0.00 106 A 8.06 4.25 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 0.00 107 E 7.84 4.02 0.00 2.10 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 2.37 2.40 0.00 108 I 7.59 3.55 1.86 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 1.54 1.71 0.88 0.00 0.00 109 R 7.28 3.92 0.00 2.02 1.94 0.00 3.24 0.00 0.00 3.13 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 110 H 8.43 4.39 0.00 3.37 3.12 0.00 5.69 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 0.00 111 V 7.03 3.28 1.66 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 0.87 0.00 0.00 -0.14 0.00 0.00 112 L 7.72 4.06 0.00 1.71 1.67 0.87 1.16 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 0.00 113 V 8.97 4.81 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 0.82 0.00 0.00 0.93 0.00 0.00 114 T 7.88 4.56 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 1.10 0.00 0.00 115 L 7.44 4.79 0.00 1.66 1.55 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 116 G 8.67 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 0.00 0.00 0.00 117 E 8.64 4.29 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 118 K 7.78 3.77 0.00 1.62 1.79 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.56 7.81 119 M 8.22 4.67 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.46 0.00 120 T 8.75 4.68 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 1.29 0.00 0.00 121 E 8.90 3.94 0.00 2.17 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 0.00 2.36 2.36 0.00 122 E 8.07 3.90 0.00 1.99 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 0.00 2.39 2.33 0.00 123 E 8.09 3.90 0.00 2.20 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 2.35 2.38 0.00 124 V 7.95 3.72 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 0.76 0.00 0.00 1.02 0.00 0.00 125 E 7.99 3.83 0.00 2.31 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 2.42 0.00 126 Q 8.27 4.02 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 127 L 7.68 4.09 0.00 1.61 1.72 0.87 0.97 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 0.00 128 V 7.78 3.78 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 0.71 0.00 0.00 1.01 0.00 0.00 129 A 7.45 3.80 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 0.00 130 G 9.43 4.06 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 0.00 0.00 0.00 131 H 8.44 4.79 0.00 3.33 3.29 0.00 5.81 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 E 7.97 4.59 0.00 2.03 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 2.39 2.30 0.00 133 D 8.42 5.02 0.00 2.90 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 0.00 134 S 8.82 4.09 0.00 3.99 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 0.00 135 N 8.35 4.73 0.00 2.73 2.86 0.00 0.00 6.88 7.65 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 0.00 136 G 7.97 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 0.00 137 C 8.90 4.93 0.00 3.05 2.82 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 0.00 138 I 8.34 5.18 2.00 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 1.16 1.80 0.93 0.00 0.00 139 N 8.48 4.64 0.00 2.68 2.65 0.00 0.00 6.84 7.56 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 0.00 140 Y 8.44 4.20 0.00 3.11 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 0.00 141 E 8.42 4.05 0.00 2.34 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 2.67 2.40 0.00 142 E 8.19 4.06 0.00 2.33 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 2.64 2.48 0.00 143 L 8.14 3.97 0.00 1.79 1.87 0.82 0.76 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 0.00 144 V 8.97 3.51 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 0.74 0.00 0.00 145 R 8.35 4.05 0.00 2.08 2.08 0.00 3.27 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 2.02 2.30 0.00 146 M 8.71 3.99 0.00 2.20 2.13 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 2.70 2.78 0.00 147 V 7.58 3.69 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 0.75 0.00 0.00 1.00 0.00 0.00 148 L 8.45 4.06 0.00 1.94 1.60 0.89 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 149 S 6.38 4.19 0.00 4.08 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 0.00 150 G 7.83 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 0.00 0.00 0.00