NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.7577 8.4549 115.4688 54.7588 43.1325 172.9184 2 D 4.4108 8.4421 119.4120 53.7393 40.9693 175.2962 3 I 2.9475 7.8597 124.2973 60.1224 38.5051 174.3266 4 P 4.4056 0.0000 0.0000 62.5120 32.1453 176.3697 5 Q 4.1699 8.5398 118.6076 58.9960 29.6209 176.1980 6 S 5.1421 7.7159 110.5030 57.2362 65.8854 173.2385 7 T 4.8425 9.0922 118.1667 60.4390 71.3595 172.1127 8 N 5.1505 9.4551 127.0201 52.4835 41.1235 173.0102 9 C 4.8681 9.5989 126.7369 56.0274 39.5212 174.1690 10 G 4.1185 9.7602 115.4193 46.3021 0.0000 172.5710 11 G 3.9033 9.0089 109.1363 44.6748 0.0000 174.2110 12 N 4.5466 8.1466 118.2555 52.0371 38.6372 174.0119 13 V 4.5654 8.0903 124.1418 62.0487 32.6147 174.6612 14 Y 5.2138 9.0359 125.6578 56.2463 41.6278 175.5475 15 S 5.1232 9.2804 117.8568 57.1239 65.2368 174.7444 16 N 4.2413 8.7835 118.3641 56.4766 36.5092 177.0721 17 D 4.2982 8.0126 120.4060 57.1539 40.9996 178.1128 18 D 4.4007 8.1529 119.4090 57.4987 40.8790 179.0891 19 I 3.5998 7.6636 120.0882 64.3752 37.0610 177.9519 20 N 4.2294 8.2987 118.1225 57.0590 38.6671 176.9370 21 T 3.8161 8.2515 117.1699 66.3950 68.4555 176.4734 22 A 4.0687 7.9806 122.6250 55.3061 18.5199 179.7322 23 I 3.1045 7.6052 118.1977 64.5528 36.9253 178.8006 24 Q 3.9566 8.0731 118.1016 58.6590 28.5730 178.7354 25 G 3.5559 8.0832 106.8016 47.6423 0.0000 175.6024 26 A 3.3917 6.7635 122.1419 54.3975 18.4256 179.0875 27 L 4.3109 7.3419 114.7804 55.2006 42.9370 178.2017 28 D 4.6469 7.3722 119.3631 53.1144 39.4827 174.4967 29 D 4.8733 7.9145 119.9613 52.4415 40.2044 177.5031 30 V 4.0145 7.2005 112.5550 60.3592 32.5668 176.0961 31 A 4.2075 8.4737 126.4477 52.3732 20.2646 174.8078 32 D 4.4372 8.9851 120.5882 53.4227 39.3370 178.8536 33 G 3.6483 8.9572 101.5431 45.0013 0.0000 173.3324 34 D 4.6747 8.0359 120.2838 53.4897 41.7808 176.8488 35 R 4.4138 8.3384 120.0994 55.3125 30.6320 175.2766 36 P 4.3793 0.0000 0.0000 62.2413 32.0973 175.9275 37 D 4.4747 8.3576 122.0387 56.0155 41.0900 177.1953 38 N 4.3268 9.2108 118.5942 53.8796 36.7233 173.5224 39 Y 5.1349 7.6144 113.6469 55.3406 42.2036 173.4352 40 P 5.3041 0.0000 0.0000 63.6006 32.6007 174.6355 41 H 5.1512 8.7516 115.1143 53.3599 32.6654 172.2191 42 Q 4.3412 8.8260 120.1485 56.8140 29.2257 174.8108 43 Y 4.7124 8.7320 127.8571 56.9866 40.2938 173.7297 44 Y 4.2005 8.1817 124.8306 56.2059 38.7244 174.7302 45 D 4.2711 8.2585 125.0139 52.4266 41.7854 175.2845 46 E 4.3303 8.6859 126.9122 55.0859 30.2674 177.1736 47 A 4.0585 8.8695 127.9115 55.2521 18.5002 178.4839 48 S 4.2895 7.9503 108.4445 60.1125 63.6656 174.1922 49 E 4.4514 7.8046 120.8634 55.6758 30.5616 175.0738 50 D 4.9466 8.1591 116.9853 53.8921 41.6289 175.5267 51 I 4.1575 7.8255 118.9055 60.7526 38.2246 175.8466 52 T 4.3528 8.9841 123.0168 61.8152 69.3166 174.1909 53 L 4.3309 8.1043 127.0319 53.6649 42.8760 175.5426 54 C 4.7568 8.5152 116.7416 55.2582 42.3500 171.6793 55 C 5.1034 7.1931 114.2447 54.2600 42.1934 174.9645 56 G 3.7487 8.1698 108.7080 46.3801 0.0000 173.3295 57 S 4.1190 8.7097 116.6502 58.0285 62.9248 174.9104 58 G 2.4640 7.4897 115.5168 43.9992 0.0000 170.9131 59 P 4.0125 0.0000 0.0000 62.2621 32.7332 175.4702 60 W 5.3124 8.2680 120.1542 55.1982 32.9690 174.5301 61 S 5.2111 8.7879 118.0331 56.6854 67.0890 172.5480 62 E 5.1710 9.0745 121.3618 54.7019 32.9580 174.0684 63 F 5.1875 9.1866 127.4978 55.7451 43.5110 171.8447 64 P 4.2711 0.0000 0.0000 62.3318 31.8784 175.4869 65 L 4.3097 8.1113 126.7273 53.6150 42.5876 176.0410 66 V 4.4670 7.8226 118.3304 59.4012 35.8146 174.9717 67 Y 4.4204 8.3772 119.1717 59.3029 38.6065 175.5520 68 N 4.2051 8.9760 118.5883 54.4433 36.1890 174.2356 69 G 4.0274 7.8420 106.5884 44.0203 0.0000 171.4748 70 P 4.6776 0.0000 0.0000 61.7990 32.3078 175.3426 71 Y 4.1709 8.7261 120.3666 58.8002 39.0183 174.9637 72 Y 4.5528 7.2332 125.5554 56.2690 42.4344 173.6878 73 S 4.2932 6.1467 115.8213 57.4003 65.6726 173.5625 74 S 5.1446 8.4500 118.9338 56.4480 66.4144 175.1317 75 R 4.0355 8.5711 117.1018 59.2959 29.2595 178.0566 76 D 4.5894 8.1160 117.4682 56.4650 41.4309 176.1288 77 N 4.9730 8.2142 116.3111 51.4354 39.4409 171.7825 78 Y 4.7738 7.9771 121.8492 55.6408 40.3373 174.4560 79 V 4.1577 7.3057 125.4238 60.4068 34.4869 175.1882 80 S 4.3619 8.6781 121.1547 57.2289 62.7021 172.3794 81 P 3.4169 0.0000 0.0000 62.9960 31.3936 177.5744 82 G 3.9149 7.7259 109.1892 44.1568 0.0000 171.1760 83 P 4.6093 0.0000 0.0000 64.1232 32.7789 175.4786 84 D 5.3994 7.9321 120.6399 52.8120 43.5937 175.5629 85 R 5.0167 8.7818 120.4390 54.4168 35.0751 174.3266 86 V 4.7078 8.5559 121.8589 60.3337 34.0432 174.5942 87 I 4.9311 8.4454 125.0173 59.7249 39.4568 174.3164 88 Y 5.2158 8.3240 123.7713 55.1148 42.3654 173.8613 89 Q 4.6555 9.2309 122.4032 56.0763 29.5189 176.3341 90 T 3.8913 8.6384 124.5424 66.9490 68.4085 175.4838 91 N 4.6171 8.5884 117.2508 54.6237 39.0527 175.9798 92 T 4.3523 8.1408 105.7707 60.4847 70.4685 175.4383 93 G 3.9679 8.6900 109.7653 45.3611 0.0000 173.2677 94 E 4.1672 8.0765 122.1211 55.8590 30.7295 175.9628 95 F 4.3938 9.0253 129.3029 59.1505 39.7853 174.4887 96 C 4.4822 7.9993 122.1253 57.6846 40.5406 173.5342 97 A 4.2645 5.8252 117.1245 51.3391 22.2195 174.7431 98 T 4.9308 8.0157 108.9066 60.0987 71.6288 173.6908 99 V 4.7925 8.2606 116.7386 60.0324 36.5817 174.1491 100 T 5.1786 8.6949 115.4141 61.1867 70.8164 174.5017 101 H 4.9478 9.5333 123.7746 57.4518 29.2079 175.9162 102 T 4.1007 7.8701 117.6489 64.7137 68.4320 174.7012 103 G 3.8336 9.0181 113.5927 45.7244 0.0000 173.1187 104 A 4.3422 7.6521 122.7166 50.8045 19.3526 179.0527 105 A 4.2207 8.4460 122.2372 55.0407 18.7075 177.4556 106 S 4.6468 7.5411 106.7160 56.9380 66.3808 174.2060 107 Y 4.0482 8.8077 121.3430 60.5788 38.1695 176.6147 108 D 4.1640 7.5094 115.7752 53.1937 40.4370 176.6820 109 G 3.8221 7.6247 110.2724 45.3209 0.0000 172.2828 110 F 5.7846 9.1218 118.0945 55.7734 42.1455 175.1956 111 T 4.8303 9.0161 111.2320 59.7197 72.4001 172.8005 112 Q 4.3391 8.5834 124.0507 56.0821 29.8045 176.4203 113 C 4.7911 8.7006 123.7306 56.8691 38.8874 174.0656 114 S 4.3622 8.8286 114.5358 58.5549 62.7660 174.0466 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 C 8.45 4.76 0.00 3.16 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 2 D 8.44 4.41 0.00 2.77 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 3 I 7.86 2.95 1.65 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 0.85 0.26 0.53 0.00 0.00 4 P 0.00 4.41 0.00 2.30 2.01 0.00 2.84 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.92 0.00 5 Q 8.54 4.17 0.00 1.98 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.29 0.00 6 S 7.72 5.14 0.00 3.82 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 7 T 9.09 4.84 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 1.40 0.00 0.00 8 N 9.46 5.15 0.00 2.75 2.68 0.00 0.00 7.06 7.59 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 9 C 9.60 4.87 0.00 3.33 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 10 G 9.76 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 9.01 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.15 4.55 0.00 2.91 2.26 0.00 0.00 6.44 7.30 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 13 V 8.09 4.57 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 0.83 0.00 0.00 0.91 0.00 0.00 14 Y 9.04 5.21 0.00 2.85 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 15 S 9.28 5.12 0.00 3.91 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 16 N 8.78 4.24 0.00 2.83 3.35 0.00 0.00 7.42 7.83 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 17 D 8.01 4.30 0.00 2.73 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 18 D 8.15 4.40 0.00 2.96 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 19 I 7.66 3.60 1.83 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.99 0.77 0.00 0.00 20 N 8.30 4.23 0.00 2.74 2.76 0.00 0.00 7.29 7.99 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 21 T 8.25 3.82 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 1.25 0.00 0.00 22 A 7.98 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.61 3.10 1.70 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.01 0.54 0.00 0.00 24 Q 8.07 3.96 0.00 1.94 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 25 G 8.08 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 6.76 3.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.34 4.31 0.00 1.48 1.64 0.76 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.37 4.65 0.00 2.72 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 29 D 7.91 4.87 0.00 2.82 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 30 V 7.20 4.01 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 0.67 0.00 0.00 0.99 0.00 0.00 31 A 8.47 4.21 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 32 D 8.99 4.44 0.00 2.73 2.47 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 33 G 8.96 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 34 D 8.04 4.67 0.00 2.79 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 35 R 8.34 4.41 0.00 1.95 2.04 0.00 3.28 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.74 0.00 36 P 0.00 4.38 0.00 2.47 1.85 0.00 4.11 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.63 0.00 37 D 8.36 4.47 0.00 2.75 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 38 N 9.21 4.33 0.00 2.90 2.54 0.00 0.00 6.78 7.46 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 39 Y 7.61 5.13 0.00 2.95 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 40 P 0.00 5.30 0.00 2.37 2.56 0.00 3.96 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.37 0.00 41 H 8.75 5.15 0.00 3.25 3.48 0.00 5.47 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 8.83 4.34 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.89 0.00 0.00 0.00 0.00 0.00 1.38 2.07 0.00 43 Y 8.73 4.71 0.00 3.08 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 44 Y 8.18 4.20 0.00 2.94 2.85 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 45 D 8.26 4.27 0.00 2.57 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 46 E 8.69 4.33 0.00 2.23 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 2.39 2.26 0.00 47 A 8.87 4.06 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 48 S 7.95 4.29 0.00 4.00 4.02 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 49 E 7.80 4.45 0.00 2.22 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 2.37 2.28 0.00 50 D 8.16 4.95 0.00 2.57 2.58 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 51 I 7.83 4.16 2.03 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 1.49 1.02 0.67 0.00 0.00 52 T 8.98 4.35 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 53 L 8.10 4.33 0.00 1.30 1.16 -0.82 0.26 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 54 C 8.52 4.76 0.00 3.04 3.12 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 0.00 0.00 0.00 0.00 55 C 7.19 5.10 0.00 3.13 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 56 G 8.17 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 57 S 8.71 4.12 0.00 3.82 3.74 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 58 G 7.49 2.46 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 59 P 0.00 4.01 0.00 1.96 1.98 0.00 3.47 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.88 0.00 60 W 8.27 5.31 0.00 3.43 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 61 S 8.79 5.21 0.00 2.72 3.47 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 62 E 9.07 5.17 0.00 2.07 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 2.31 2.29 0.00 63 F 9.19 5.19 0.00 3.36 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 64 P 0.00 4.27 0.00 0.86 1.20 0.00 2.20 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 65 L 8.11 4.31 0.00 1.29 1.00 0.52 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.82 4.47 2.13 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 0.73 0.00 0.00 1.01 0.00 0.00 67 Y 8.38 4.42 0.00 3.10 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 68 N 8.98 4.21 0.00 2.94 2.93 0.00 0.00 6.96 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 69 G 7.84 4.03 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 0.00 0.00 0.00 70 P 0.00 4.68 0.00 2.45 2.30 0.00 3.84 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 71 Y 8.73 4.17 0.00 2.69 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 72 Y 7.23 4.55 0.00 2.88 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 73 S 6.15 4.29 0.00 3.25 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 74 S 8.45 5.14 0.00 3.94 3.92 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 75 R 8.57 4.04 0.00 1.92 2.15 0.00 3.08 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 76 D 8.12 4.59 0.00 2.75 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 77 N 8.21 4.97 0.00 2.81 2.75 0.00 0.00 6.53 7.59 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 78 Y 7.98 4.77 0.00 3.16 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 79 V 7.31 4.16 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 0.80 0.00 0.00 0.83 0.00 0.00 80 S 8.68 4.36 0.00 4.02 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 81 P 0.00 3.42 0.00 1.69 1.22 0.00 4.04 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.07 0.00 82 G 7.73 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 83 P 0.00 4.61 0.00 2.19 2.35 0.00 3.70 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 2.11 2.05 0.00 84 D 7.93 5.40 0.00 2.63 2.48 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 85 R 8.78 5.02 0.00 1.32 1.59 0.00 3.39 0.00 0.00 3.04 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.90 0.00 86 V 8.56 4.71 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.17 0.00 0.00 87 I 8.45 4.93 1.24 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.07 0.28 0.00 0.00 88 Y 8.32 5.22 0.00 3.14 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 89 Q 9.23 4.66 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.52 2.57 0.00 90 T 8.64 3.89 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 1.22 0.00 0.00 91 N 8.59 4.62 0.00 2.87 2.87 0.00 0.00 6.92 6.93 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 92 T 8.14 4.35 4.28 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 1.26 0.00 0.00 93 G 8.69 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 0.00 0.00 0.00 94 E 8.08 4.17 0.00 2.16 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 2.39 2.35 0.00 95 F 9.03 4.39 0.00 3.03 3.18 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 0.00 0.00 0.00 0.00 96 C 8.00 4.48 0.00 2.42 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 97 A 5.83 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.02 4.93 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 1.34 0.00 0.00 99 V 8.26 4.79 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 0.30 0.00 0.00 -0.27 0.00 0.00 100 T 8.69 5.18 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 1.39 0.00 0.00 101 H 9.53 4.95 0.00 3.15 3.13 0.00 5.68 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 0.00 102 T 7.87 4.10 4.29 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 1.31 0.00 0.00 103 G 9.02 3.83 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 0.00 0.00 0.00 104 A 7.65 4.34 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 0.00 105 A 8.45 4.22 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 0.00 106 S 7.54 4.65 0.00 3.96 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 0.00 107 Y 8.81 4.05 0.00 2.89 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 7.51 4.16 0.00 2.75 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 0.00 109 G 7.62 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 0.00 110 F 9.12 5.78 0.00 3.15 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 0.00 111 T 9.02 4.83 4.28 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 1.26 0.00 0.00 112 Q 8.58 4.34 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.08 0.00 0.00 0.00 0.00 0.00 2.29 2.49 0.00 113 C 8.70 4.79 0.00 2.93 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 0.00 114 S 8.83 4.36 0.00 3.97 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