NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.1100 8.4401 116.7581 55.7064 31.4842 174.6347 4 A 4.6404 7.9365 122.8550 48.4467 21.5553 171.2139 5 V 4.0744 8.7193 121.3521 60.4755 33.8787 173.4377 6 L 4.4634 8.4074 125.4822 53.1383 42.7237 176.5582 7 T 3.9758 8.5176 114.6014 64.0183 69.5862 174.6881 8 G 4.1101 7.2744 107.0285 45.2502 0.0000 171.3801 9 V 5.2128 8.5734 118.4718 60.9730 34.6666 175.1837 10 A 4.8898 8.8535 128.0914 50.4145 22.1890 175.3884 11 T 5.3199 8.2499 111.6431 59.6804 72.2826 173.6187 12 D 4.2757 8.3133 120.2680 54.2004 43.9848 175.8008 13 K 4.5160 8.8708 129.1677 54.9343 33.1351 173.0581 14 S 4.7200 9.0119 116.9409 59.8129 64.1211 174.0619 15 E 5.2069 8.0959 117.7201 55.2546 32.7467 179.6488 16 A 4.8430 8.7488 119.9805 50.9958 22.5790 175.5390 17 K 4.6954 8.6064 121.9070 55.6832 35.4604 176.1035 18 V 4.5637 8.0148 121.5598 61.7257 34.8500 173.7890 19 T 4.8117 8.1716 123.8100 61.9016 70.9218 173.9066 20 V 4.2976 8.9245 127.5793 61.3129 32.6631 174.4270 21 L 4.6360 8.2301 129.2974 53.4750 43.2519 177.4620 22 G 3.6609 8.7761 110.4320 46.5146 0.0000 173.1466 23 I 4.5146 7.6570 119.3654 59.5093 39.8706 175.2927 24 S 4.5125 8.8345 125.6542 58.4823 63.2195 174.9610 25 D 4.7573 8.6389 126.9280 53.1093 38.4918 175.0946 26 K 4.6328 7.6812 121.5906 53.1184 36.0130 173.4080 27 P 4.2157 0.0000 0.0000 64.2195 31.5651 176.2075 28 G 4.1633 9.1103 110.8525 46.0119 0.0000 175.4795 29 E 4.1600 8.3288 119.5608 59.0450 29.3951 178.9906 30 A 3.9906 8.1061 120.6175 54.9135 18.5055 179.2254 31 A 4.0031 8.0816 118.8372 55.4795 18.1204 179.5066 32 K 3.9042 7.9252 116.9086 59.9534 31.9885 179.5910 33 V 3.5535 7.5573 117.7243 66.0913 31.7579 177.8179 34 F 4.1831 8.1655 115.7938 58.6284 38.9199 177.8707 35 R 3.9281 8.5601 119.8694 59.2341 29.8660 177.8940 36 A 3.9973 7.5269 120.2879 55.3635 18.3392 179.6765 37 L 3.8927 7.6980 117.2109 57.7150 41.6373 179.6194 38 A 4.0132 7.8807 120.5802 55.2930 18.1244 179.4751 39 D 4.3577 8.6295 116.5261 57.1448 40.9685 178.1300 40 A 4.1802 7.6626 119.1044 51.9372 18.6625 176.9943 41 E 3.6691 7.8537 115.6092 57.2154 27.5084 174.6212 42 I 4.0459 7.6225 120.4306 60.1682 37.3390 175.5625 43 N 4.6490 8.6798 125.7072 52.3063 38.6501 174.2002 44 I 4.1119 8.1188 119.4750 60.8817 39.2098 173.1980 45 D 4.6997 9.1851 120.9554 55.7510 42.2310 176.0792 46 M 4.4770 7.9896 116.7032 55.2318 34.1588 175.7599 47 V 5.1490 8.2470 120.9723 61.3355 35.0708 174.5272 48 L 4.8446 9.5669 126.8546 53.1639 45.7271 175.2422 49 Q 4.8180 8.6542 124.3315 54.6805 31.9737 173.9563 50 N 4.7920 8.6911 124.7950 51.6397 41.0330 174.3258 51 V 3.8359 7.9545 113.4325 61.0385 32.1205 176.7501 52 S 4.5371 8.2702 117.4380 57.5888 64.2010 174.0208 53 S 4.2596 8.2885 116.4224 58.2266 62.7441 175.6559 54 V 3.6517 8.2860 126.3028 65.7107 31.7600 176.9843 55 E 4.1264 8.0095 120.3662 58.5066 29.6406 176.9372 56 D 4.6153 8.1122 116.3931 53.6657 42.2746 176.5745 57 G 3.9450 8.4034 107.2629 46.7261 0.0000 172.8352 58 T 5.1891 7.6800 107.4153 60.0056 73.0820 172.3546 59 T 5.1591 8.6557 118.1496 62.2117 73.1720 171.9688 60 D 5.4005 8.5346 120.9140 52.9255 43.6691 175.7501 61 I 4.9457 8.4778 123.7568 59.9380 39.7316 174.6779 62 T 5.2040 9.0608 124.3154 61.7468 71.5624 173.3616 63 F 5.6060 8.4545 119.4566 55.6600 41.9311 173.3716 64 T 5.2252 8.7919 110.5271 60.6013 71.8749 172.6978 65 C 5.1355 8.6313 116.1757 56.2090 34.0933 171.1629 66 P 4.5317 0.0000 0.0000 63.2018 31.4060 177.9217 67 R 3.9990 8.8971 124.0457 59.5206 29.7136 179.1107 68 S 4.2179 8.0672 113.0940 61.0609 63.4848 175.1592 69 D 4.7639 8.2029 120.5139 54.3928 40.7135 178.6070 70 G 3.7775 7.9358 109.9872 48.5886 0.0000 176.6527 71 R 3.0825 7.9192 123.2397 60.7468 29.3795 180.5149 72 R 4.0040 7.8496 118.9518 58.9681 30.2770 178.0956 73 A 4.0046 7.8283 120.4983 55.5201 18.4078 179.1231 74 M 3.9429 7.4687 116.4342 59.0230 31.8954 178.3325 75 E 3.9728 7.7941 118.3708 59.2924 29.3606 179.3261 76 I 3.7411 7.6700 119.0217 64.4864 37.4724 178.1757 77 L 4.4215 7.8965 119.2963 57.9090 41.3754 179.7823 78 K 4.1693 8.5167 120.7627 59.7844 31.5222 179.9354 79 K 4.1372 7.9266 123.2969 58.8138 31.4533 182.9584 80 L 4.0730 7.9319 117.8402 57.4880 41.5619 178.9824 81 Q 3.6287 7.6908 117.2129 59.0603 28.5162 178.7172 82 V 3.6035 7.5118 115.9407 64.6401 31.5884 178.8307 83 Q 4.0984 7.1557 119.8947 58.7378 28.9729 180.2114 84 G 4.3028 6.8725 108.7454 47.0909 0.0000 172.4073 85 N 4.4530 7.1241 115.1771 53.4278 41.2233 176.4708 86 W 5.2870 6.9416 116.9956 55.3488 32.8268 174.8426 87 T 4.4454 8.3189 108.3024 64.1297 69.2131 174.9298 88 N 5.1028 7.9452 119.3821 51.7955 42.7323 173.1501 89 V 4.6890 8.4618 124.1378 61.1988 33.2508 175.0141 90 L 4.5619 8.7049 128.6823 54.7052 43.5842 175.3777 91 Y 5.0412 8.0419 119.0403 56.9706 41.9661 173.2924 92 D 4.2557 8.7586 126.0196 52.9132 44.4783 174.6950 93 D 4.7050 8.5249 126.8984 53.1595 40.1914 177.1436 94 Q 4.8482 7.7087 120.9771 55.5853 28.5727 180.4482 95 V 4.5626 7.8064 120.2134 60.3329 33.9003 176.2115 96 G 4.2620 8.6849 111.6643 44.3506 0.0000 171.9002 97 K 5.3194 8.7711 120.8916 54.4090 35.9408 175.3827 98 V 5.0724 8.7576 125.3539 60.2728 35.0763 174.5157 99 S 5.1987 9.1511 118.1970 56.8328 67.9983 172.9466 100 L 4.6449 8.6506 125.0415 53.4999 43.2512 175.3910 101 V 4.2234 8.5333 127.5078 61.9356 32.7796 175.6611 102 G 4.3615 8.3547 114.0210 46.5359 0.0000 171.8942 103 A 4.3830 8.2090 122.3971 52.6384 22.3932 176.4852 104 G 3.7460 8.7505 107.1972 47.1188 0.0000 175.1892 105 M 4.1793 8.0216 121.2381 56.9684 32.5469 179.0856 106 K 3.9437 8.1572 119.4202 59.6278 32.3931 178.1932 107 S 4.2409 8.1222 112.7280 60.9129 62.9845 174.2369 108 H 4.7285 7.6820 117.4963 53.1182 28.2104 172.8992 109 P 4.5135 0.0000 0.0000 64.7968 31.4432 178.4259 110 G 3.7690 8.2134 105.8801 47.8169 0.0000 175.6413 111 V 3.8482 7.7354 120.1472 66.4867 31.4963 178.3865 112 T 3.9726 7.9948 114.7278 66.3104 68.2949 176.4467 113 A 4.0243 7.9428 122.4728 55.4383 18.5854 179.6702 114 E 4.2709 9.0138 118.2914 58.3929 29.2779 179.5901 115 F 4.1554 8.4462 121.3721 61.7718 39.5687 177.1486 116 M 4.2902 8.2052 118.2174 58.3211 31.2433 178.6917 117 E 3.9836 8.4842 118.7956 59.0263 28.1279 179.0052 118 A 3.9206 7.8689 120.8509 55.4018 18.3948 179.8303 119 L 4.0984 7.5225 117.3572 57.5930 41.6296 179.6869 120 R 3.9086 7.9899 118.9062 59.5073 29.8284 177.6468 121 D 4.7014 7.8756 114.6023 54.8442 40.6390 176.8853 122 V 4.3579 6.6247 109.5115 60.4234 33.1809 174.9383 123 N 4.0214 7.9899 115.9508 54.7106 37.4797 174.6450 124 V 4.0708 7.8883 117.3425 60.7712 32.3413 174.4718 125 N 4.4356 8.6058 127.0409 52.8764 38.7367 174.5731 126 I 4.0244 8.2903 127.8088 61.3771 36.9068 175.6288 127 E 4.3902 8.5841 126.0371 57.7548 30.5544 176.9702 128 L 4.4573 7.5268 119.7060 54.0580 45.5593 173.6189 129 I 4.9529 8.3762 126.2055 59.7510 40.8095 175.5088 130 S 4.4265 8.8887 121.3434 57.8385 64.8272 172.7296 131 T 5.1573 8.1291 116.7804 60.2308 72.1599 172.2707 132 S 4.4971 8.9351 115.1157 57.4154 66.0437 175.1403 133 E 4.0947 8.7663 119.0092 58.7141 30.0743 178.7049 134 I 4.4490 7.6115 110.7288 59.4956 39.4018 175.2223 135 R 4.9818 7.7798 122.4427 55.6839 34.1861 173.7658 136 I 4.5446 8.3754 125.8240 59.5124 39.2950 173.8660 137 S 5.1753 8.4233 122.9366 57.3154 64.9334 173.7918 138 V 5.0735 8.8877 115.9112 59.7644 36.4380 174.1828 139 L 5.3072 8.8120 123.0937 53.3636 44.6018 175.9780 140 I 4.8606 8.1795 114.9915 59.5992 41.7415 173.9765 141 R 4.3130 8.5326 120.8804 56.0109 30.0950 177.6013 142 E 3.9087 8.6217 122.8303 60.1020 29.5672 179.8540 143 D 4.4130 8.0092 117.0835 55.6974 40.2500 180.6934 144 D 4.8137 8.2877 116.9750 54.6284 40.7053 178.1445 145 L 3.9258 7.5402 123.1530 58.4944 42.0419 178.8142 146 D 4.3684 8.0683 118.1608 57.1962 40.2923 178.4848 147 A 3.9619 7.9505 120.7157 54.9247 18.4599 179.4701 148 A 3.8431 8.2372 119.1438 55.2070 18.4837 179.5559 149 A 3.9475 8.2681 119.7132 55.6513 18.3870 180.1334 150 R 3.8639 7.8083 116.2838 59.0705 29.9676 179.2092 151 A 3.9132 7.5579 119.9781 55.1791 18.3475 179.6818 152 L 3.8767 7.8973 117.4381 58.2646 41.4931 179.2929 153 H 4.1768 8.5416 119.8292 59.8811 29.8338 177.5208 154 E 4.1405 8.3058 119.6637 61.1090 29.6384 181.0412 155 Q 4.0735 7.9260 118.3013 57.4693 30.0822 177.3522 156 F 4.7629 7.9787 119.8810 58.1376 38.5966 176.2232 157 Q 3.6662 7.9966 121.8092 55.4467 27.7903 175.4233 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 E 8.44 4.11 0.00 2.01 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.89 0.00 4 A 7.94 4.64 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 5 V 8.72 4.07 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 0.72 0.00 0.00 0.91 0.00 0.00 6 L 8.41 4.46 0.00 1.43 1.54 0.78 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.52 3.98 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 8 G 7.27 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 9 V 8.57 5.21 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 0.99 0.00 0.00 1.02 0.00 0.00 10 A 8.85 4.89 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.25 5.32 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 12 D 8.31 4.28 0.00 2.74 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.87 4.52 0.00 1.55 1.63 0.00 1.83 0.00 0.00 1.76 0.00 0.00 2.72 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.26 0.97 7.81 14 S 9.01 4.72 0.00 3.88 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.10 5.21 0.00 1.76 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 2.14 1.86 0.00 16 A 8.75 4.84 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 17 K 8.61 4.70 0.00 1.77 1.87 0.00 1.20 0.00 0.00 1.52 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.25 1.26 7.81 18 V 8.01 4.56 0.73 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 0.91 0.00 0.00 0.87 0.00 0.00 19 T 8.17 4.81 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 1.17 0.00 0.00 20 V 8.92 4.30 1.68 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 -0.20 0.00 0.00 0.66 0.00 0.00 21 L 8.23 4.64 0.00 1.76 1.57 0.93 1.13 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 22 G 8.78 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 23 I 7.66 4.51 1.51 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.64 0.92 0.00 0.00 24 S 8.83 4.51 0.00 3.88 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 25 D 8.64 4.76 0.00 2.71 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.68 4.63 0.00 1.79 1.60 0.00 1.81 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.45 7.81 27 P 0.00 4.22 0.00 2.09 2.02 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 28 G 9.11 4.16 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 0.00 0.00 0.00 29 E 8.33 4.16 0.00 2.06 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 0.00 2.55 2.76 0.00 30 A 8.11 3.99 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 31 A 8.08 4.00 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 32 K 7.93 3.90 0.00 2.16 2.09 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.69 7.81 33 V 7.56 3.55 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 0.24 0.00 0.00 0.65 0.00 0.00 34 F 8.17 4.18 0.00 3.07 2.98 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 35 R 8.56 3.93 0.00 1.96 2.04 0.00 3.37 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 1.65 1.70 0.00 36 A 7.53 4.00 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 37 L 7.70 3.89 0.00 1.48 1.58 -0.43 0.93 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 38 A 7.88 4.01 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 39 D 8.63 4.36 0.00 2.75 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 40 A 7.66 4.18 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 41 E 7.85 3.67 0.00 2.16 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 2.24 2.41 0.00 42 I 7.62 4.05 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.51 0.98 0.00 0.00 43 N 8.68 4.65 0.00 2.70 2.78 0.00 0.00 7.21 7.94 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 44 I 8.12 4.11 2.23 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.24 0.98 0.00 0.00 45 D 9.19 4.70 0.00 2.72 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 M 7.99 4.48 0.00 2.08 2.01 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 2.64 2.50 0.00 47 V 8.25 5.15 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 0.87 0.00 0.00 0.90 0.00 0.00 48 L 9.57 4.84 0.00 1.53 1.51 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.65 4.82 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.83 0.00 0.00 0.00 0.00 0.00 2.24 2.50 0.00 50 N 8.69 4.79 0.00 2.71 2.72 0.00 0.00 7.23 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 7.95 3.84 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 0.78 0.00 0.00 0.93 0.00 0.00 52 S 8.27 4.54 0.00 4.18 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 53 S 8.29 4.26 0.00 3.93 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 54 V 8.29 3.65 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.94 0.00 0.00 55 E 8.01 4.13 0.00 1.92 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 2.33 2.33 0.00 56 D 8.11 4.62 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 G 8.40 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 7.68 5.19 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 59 T 8.66 5.16 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 60 D 8.53 5.40 0.00 2.56 2.52 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 61 I 8.48 4.95 1.80 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.94 1.15 0.00 0.00 62 T 9.06 5.20 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 63 F 8.45 5.61 0.00 3.41 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 64 T 8.79 5.23 4.27 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 1.22 0.00 0.00 65 C 8.63 5.14 0.00 3.12 3.25 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 66 P 0.00 4.53 0.00 2.31 2.07 0.00 3.69 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 2.16 2.14 0.00 67 R 8.90 4.00 0.00 2.11 1.96 0.00 3.11 0.00 0.00 3.28 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 68 S 8.07 4.22 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 69 D 8.20 4.76 0.00 2.89 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 70 G 7.94 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 71 R 7.92 3.08 0.00 1.83 1.96 0.00 3.26 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.26 0.00 72 R 7.85 4.00 0.00 1.84 2.07 0.00 3.16 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 1.68 1.68 0.00 73 A 7.83 4.00 1.55 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 74 M 7.47 3.94 0.00 1.78 1.79 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 2.60 2.73 0.00 75 E 7.79 3.97 0.00 2.15 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 2.28 2.44 0.00 76 I 7.67 3.74 2.04 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 1.71 0.74 0.93 0.00 0.00 77 L 7.90 4.42 0.00 2.06 1.98 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.52 4.17 0.00 1.84 1.89 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.73 1.64 7.81 79 K 7.93 4.14 0.00 1.76 1.82 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.35 7.81 80 L 7.93 4.07 0.00 1.63 0.98 0.80 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 7.69 3.63 0.00 2.48 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.61 2.46 0.00 82 V 7.51 3.60 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 0.77 0.00 0.00 0.93 0.00 0.00 83 Q 7.16 4.10 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 84 G 6.87 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 0.00 0.00 0.00 0.00 85 N 7.12 4.45 0.00 1.44 1.42 0.00 0.00 6.62 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 86 W 6.94 5.29 0.00 3.46 3.13 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 87 T 8.32 4.45 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 1.28 0.00 0.00 88 N 7.95 5.10 0.00 2.88 2.68 0.00 0.00 6.52 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 8.46 4.69 2.17 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 0.92 0.00 0.00 1.22 0.00 0.00 90 L 8.70 4.56 0.00 1.64 1.57 0.91 0.45 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 91 Y 8.04 5.04 0.00 2.80 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 92 D 8.76 4.26 0.00 2.58 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 0.00 0.00 0.00 0.00 93 D 8.52 4.71 0.00 2.67 2.56 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 94 Q 7.71 4.85 0.00 1.69 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.18 2.14 0.00 95 V 7.81 4.56 2.22 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 0.89 0.00 0.00 0.95 0.00 0.00 96 G 8.68 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.77 5.32 0.00 1.83 1.72 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.38 7.81 98 V 8.76 5.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.99 0.00 0.00 99 S 9.15 5.20 0.00 3.79 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 0.00 100 L 8.65 4.64 0.00 2.05 1.61 0.68 0.56 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 0.00 101 V 8.53 4.22 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 0.85 0.00 0.00 0.93 0.00 0.00 102 G 8.35 4.36 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 0.00 103 A 8.21 4.38 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 G 8.75 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 0.00 0.00 0.00 105 M 8.02 4.18 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.39 0.00 106 K 8.16 3.94 0.00 1.70 1.84 0.00 1.94 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.46 7.81 107 S 8.12 4.24 0.00 3.97 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 0.00 108 H 7.68 4.73 0.00 3.26 3.27 0.00 5.81 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.51 0.00 2.27 2.31 0.00 3.68 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 110 G 8.21 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 0.00 111 V 7.74 3.85 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 0.90 0.00 0.00 1.02 0.00 0.00 112 T 7.99 3.97 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 113 A 7.94 4.02 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 0.00 114 E 9.01 4.27 0.00 2.23 1.88 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 2.32 2.39 0.00 115 F 8.45 4.16 0.00 3.50 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 0.00 116 M 8.21 4.29 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 3.12 0.00 117 E 8.48 3.98 0.00 2.02 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 2.34 2.47 0.00 118 A 7.87 3.92 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.52 4.10 0.00 1.68 1.87 0.49 0.83 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 0.00 120 R 7.99 3.91 0.00 1.98 2.12 0.00 3.09 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 121 D 7.88 4.70 0.00 2.78 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 0.00 122 V 6.62 4.36 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 0.63 0.00 0.00 0.96 0.00 0.00 123 N 7.99 4.02 0.00 2.83 2.84 0.00 0.00 6.88 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 0.00 124 V 7.89 4.07 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 0.80 0.00 0.00 0.95 0.00 0.00 125 N 8.61 4.44 0.00 2.71 2.73 0.00 0.00 7.29 7.94 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 0.00 126 I 8.29 4.02 1.92 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.71 0.98 0.00 0.00 127 E 8.58 4.39 0.00 2.00 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 0.00 2.30 2.45 0.00 128 L 7.53 4.46 0.00 1.68 1.46 0.91 0.98 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 0.00 129 I 8.38 4.95 1.85 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.81 0.83 0.00 0.00 130 S 8.89 4.43 0.00 3.85 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.13 5.16 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 1.02 0.00 0.00 132 S 8.94 4.50 0.00 3.89 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 0.00 133 E 8.77 4.09 0.00 1.92 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 2.38 2.30 0.00 134 I 7.61 4.45 1.97 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 1.06 1.66 0.88 0.00 0.00 135 R 7.78 4.98 0.00 1.82 1.70 0.00 3.00 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 136 I 8.38 4.54 1.42 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.33 -0.31 0.00 0.00 137 S 8.42 5.18 0.00 3.88 3.76 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 0.00 138 V 8.89 5.07 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 0.77 0.00 0.00 1.32 0.00 0.00 139 L 8.81 5.31 0.00 1.58 1.54 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 140 I 8.18 4.86 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.74 0.97 0.00 0.00 141 R 8.53 4.31 0.00 2.00 1.88 0.00 3.28 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.54 0.00 142 E 8.62 3.91 0.00 2.17 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 0.00 2.44 2.26 0.00 143 D 8.01 4.41 0.00 2.72 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 0.00 144 D 8.29 4.81 0.00 2.80 2.69 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 0.00 145 L 7.54 3.93 0.00 2.03 1.65 0.96 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 146 D 8.07 4.37 0.00 2.79 2.69 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 0.00 147 A 7.95 3.96 1.33 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 0.00 0.00 0.00 148 A 8.24 3.84 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 0.00 149 A 8.27 3.95 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 0.00 150 R 7.81 3.86 0.00 1.91 1.98 0.00 3.28 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 151 A 7.56 3.91 1.33 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 0.00 0.00 0.00 152 L 7.90 3.88 0.00 1.90 1.87 0.76 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 153 H 8.54 4.18 0.00 3.36 3.35 0.00 5.76 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 0.00 154 E 8.31 4.14 0.00 2.10 1.85 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 2.26 2.22 0.00 155 Q 7.93 4.07 0.00 1.80 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.24 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 156 F 7.98 4.76 0.00 2.99 2.93 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 0.00 157 Q 8.00 3.67 0.00 2.15 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.65 0.00 0.00 0.00 0.00 0.00 2.20 1.90 0.00