NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.5045 8.3349 115.4202 58.2895 64.6012 173.1776 1 L 4.4655 8.4147 122.3100 54.3365 43.8332 174.4369 2 I 5.1767 8.5199 119.2023 59.3386 41.6150 174.1142 3 R 4.7201 9.3794 127.3854 54.3573 34.2927 174.0063 4 I 4.8954 8.3386 122.3997 59.4233 40.9514 174.3010 5 G 4.5136 8.9968 114.0944 45.0399 0.0000 170.8214 6 H 5.5424 8.8631 120.4900 54.1462 33.7323 172.3137 7 G 4.4558 9.0362 110.6403 44.6371 0.0000 171.1234 8 F 5.5819 8.6671 123.6370 56.5233 42.7965 173.0414 9 D 4.5319 8.0417 123.6943 52.8046 44.9984 173.9020 10 V 4.7954 7.9151 122.2847 61.3072 35.3160 174.0300 11 H 4.7174 8.9956 125.3150 54.2967 32.6059 171.9155 12 A 4.3884 8.0159 127.7771 50.7205 19.7825 176.7805 13 F 4.7201 8.0056 121.2411 57.7955 39.8932 175.5867 14 G 4.4055 8.7561 109.0806 44.3824 0.0000 171.7984 15 E 4.9627 8.9236 122.5254 54.7511 32.8835 174.4891 16 D 5.5054 8.5440 119.8555 53.0564 44.0609 176.2318 17 R 4.6395 9.0978 121.9284 54.4944 33.3503 172.4824 18 P 4.9887 0.0000 0.0000 62.9956 32.4408 175.3777 19 L 4.9037 9.1127 121.2464 53.3435 46.9928 175.1476 20 I 4.9349 8.3148 120.3196 59.8607 39.2778 175.6224 21 I 4.4503 8.9651 128.7657 60.3517 40.0306 176.1883 22 G 4.0332 9.6153 113.9380 46.7411 0.0000 174.1314 23 G 3.8974 8.4959 104.2197 45.4212 0.0000 173.9689 24 V 4.4878 7.7683 119.7339 60.7448 34.6082 174.2832 25 E 4.9234 8.7195 126.3844 55.8778 30.5118 176.2640 26 V 4.6890 8.9097 117.4456 58.9036 36.3975 172.8895 27 P 4.7983 0.0000 0.0000 62.7255 32.6005 174.6183 28 Y 4.6923 9.1053 124.6072 56.0941 41.2515 173.4513 29 H 5.2224 8.2065 126.1812 54.8699 31.5868 173.6700 30 T 4.3773 8.7677 122.1482 63.1150 71.4304 175.4576 31 G 3.9117 8.6249 112.5338 44.1023 0.0000 172.1585 32 F 3.8984 8.5764 120.4708 58.3461 39.6629 175.5155 33 I 3.6831 7.2221 128.5480 60.2410 36.7478 175.6821 34 A 4.3442 8.3173 129.2001 52.6700 18.7889 176.4833 35 H 4.9752 8.8409 117.0921 55.2995 30.2091 173.1537 36 S 4.7386 7.6265 113.3960 57.4965 65.2907 173.3116 37 D 4.4641 8.7383 118.4451 53.6519 39.3642 176.8464 38 G 3.6023 8.0086 107.3828 46.7714 0.0000 174.8169 39 D 4.4387 7.9934 120.2827 53.5550 40.2252 176.8558 40 V 4.4321 8.3302 121.9013 63.3227 31.7383 178.0072 41 A 3.9326 7.8988 120.2033 55.3386 18.3425 179.6231 42 L 4.0136 8.1224 117.4456 57.9466 41.5462 179.6006 43 H 4.2728 8.2089 116.2060 58.7700 28.7112 177.5774 44 A 3.9497 8.1544 122.7168 55.0811 18.2252 179.3264 45 L 3.8971 7.9314 118.7517 58.6776 42.1430 179.3068 46 T 3.8950 8.2785 115.9394 66.8924 68.3451 176.3659 47 D 4.3730 8.4057 120.6633 57.2351 40.7745 178.7854 48 A 4.2300 8.0454 122.7147 54.5703 18.5126 179.7954 49 I 3.6471 7.8918 118.3661 64.6073 37.1999 178.7647 50 L 4.1744 8.0673 120.0286 57.6032 41.2915 179.7777 51 G 3.6863 8.5670 106.0314 47.6280 0.0000 175.6790 52 A 4.4759 8.1013 123.4659 53.8981 18.4450 178.5567 53 A 4.0663 7.2527 115.4183 50.9089 19.3268 176.7625 54 A 3.6376 7.4082 119.4889 53.7639 16.5176 178.3782 55 L 4.5536 8.4810 117.6557 55.6216 43.6629 178.0307 56 G 3.8702 10.2315 112.5103 44.9331 0.0000 175.7818 57 D 4.5615 8.6754 124.5900 52.0046 42.2760 176.1505 58 I 3.3803 9.1625 119.4831 63.7592 37.9336 176.0780 59 G 3.8809 8.6383 109.3763 45.6787 0.0000 174.4838 60 K 4.5537 7.4506 114.5764 55.9015 35.1871 178.1228 61 L 3.7927 7.4187 119.8355 56.3590 41.7913 177.9147 62 F 4.9764 7.5695 125.7648 55.3485 39.1549 173.9691 63 P 4.5878 0.0000 0.0000 62.6277 31.9544 178.0292 *70 K 4.2692 8.0442 119.3600 57.7254 34.0135 178.3091 71 N 4.5746 8.1270 113.4268 55.2351 38.5941 175.7911 72 A 4.1209 7.9148 120.0135 53.4157 18.8608 177.0725 73 D 4.7713 8.0668 115.2580 51.8837 43.7701 176.2696 74 S 4.2487 8.7101 124.6025 61.5505 62.8497 176.9657 75 R 4.1196 8.1513 121.4895 58.7360 29.7461 179.1141 76 G 3.6831 8.0934 105.2454 48.0244 0.0000 175.5319 77 L 4.1440 7.8093 122.3678 57.2194 41.5612 179.5534 78 L 3.9935 8.3371 120.7136 58.2988 42.0990 179.2927 79 R 4.0524 8.6749 118.4333 59.0004 29.9569 178.7340 80 E 3.9267 8.4901 119.1189 59.1842 29.6739 178.5509 81 A 3.9623 8.1261 120.9187 55.3659 18.3881 179.4361 82 F 4.2198 8.5253 119.1315 61.1576 39.4235 177.2212 83 R 3.7034 8.0794 118.4902 59.6977 29.6979 178.6312 84 Q 4.1574 7.8533 116.4504 58.7906 28.9674 178.8271 85 V 3.8079 7.7450 120.4550 64.7733 31.5591 178.2859 86 Q 4.1958 7.9947 121.9104 58.3711 28.5317 178.1277 87 E 4.0225 7.8885 118.8271 58.5562 29.4866 178.2985 88 K 4.3783 7.6556 116.5782 55.5422 32.7955 176.4935 89 G 3.5693 8.1522 107.5396 47.2014 0.0000 173.1655 90 Y 5.1786 7.6200 115.0841 55.6194 41.4777 174.9602 91 K 5.1696 8.9304 120.5606 55.1095 36.9361 175.2928 92 I 3.9362 8.6686 121.9145 61.7300 37.1714 176.0464 93 G 3.9925 9.3656 116.4487 47.0212 0.0000 173.0444 94 N 5.0902 7.4760 115.5311 51.3625 40.6036 173.0181 95 V 4.9797 8.7156 113.1119 59.6985 36.3135 174.1760 96 D 5.1742 8.8506 122.6150 52.6256 44.4806 174.1170 97 I 4.9345 8.9390 126.7317 59.7892 40.6725 174.7379 98 T 4.9508 9.0800 123.5344 61.8305 71.0489 173.0708 99 I 4.3322 8.7187 128.9221 60.6509 38.8826 175.4007 100 I 4.8631 9.0003 128.2631 59.8767 38.7623 174.4302 101 A 4.7418 8.4948 127.9181 49.9742 22.3131 176.5642 102 Q 4.2215 8.3797 123.1648 54.6038 27.7811 174.6423 103 A 4.7770 7.3493 121.4715 49.8012 22.6924 172.7423 104 P 4.3478 0.0000 0.0000 63.8162 32.8224 175.9162 105 K 3.7796 8.1507 127.6684 54.4639 32.4454 178.7776 *107 R 4.4895 8.5773 123.9828 54.9320 31.8400 176.6254 108 P 4.2562 0.0000 0.0000 64.9735 31.5388 176.5331 109 H 4.7980 7.9142 113.3971 55.6782 30.0588 176.6326 110 I 3.7516 7.7981 120.7961 64.5171 37.3299 177.2968 111 D 4.4300 8.2051 119.4909 57.3681 41.1177 179.1367 112 A 4.1978 7.5577 119.3723 52.6707 17.9215 179.3678 *114 R 4.2121 8.1816 120.0727 57.8355 32.4180 178.0722 115 A 3.9548 8.1719 119.4479 55.2104 18.3217 179.8792 116 K 3.9508 7.9393 116.6734 59.5966 32.0896 179.7862 117 I 3.6773 7.6745 119.4405 64.3034 37.1671 178.1774 118 A 3.9754 8.6061 121.8378 54.7670 18.0268 179.4421 119 E 3.8129 8.0608 118.1491 59.6092 29.6311 178.6971 120 D 4.3906 7.9325 117.0259 56.4629 41.0403 177.0714 121 L 3.2581 7.5931 117.0933 53.2083 42.2669 176.3440 122 Q 3.2050 7.2257 117.1585 56.6879 26.5883 171.4752 123 C 4.7186 7.7244 110.3048 56.8165 33.6208 173.1455 124 D 4.6740 8.9299 118.7175 53.1271 41.8607 177.2844 125 I 3.6833 8.1882 124.0177 63.7111 38.2107 177.5467 126 E 4.0064 8.3035 120.2257 58.4330 29.6239 177.0412 127 Q 4.4000 8.1617 116.7414 55.7014 29.1197 174.5375 128 V 4.7167 7.7342 118.8957 60.9916 33.7443 174.1943 129 N 5.1119 9.2182 126.6806 51.7337 42.0297 173.1214 130 V 4.9814 8.3740 124.5352 61.0470 34.4550 174.3318 131 K 4.9013 9.4638 126.0457 55.1263 36.5610 174.7936 132 A 5.1780 8.4157 121.1298 50.7432 22.2680 175.0860 133 T 4.7862 9.0888 115.2700 60.9839 71.8215 172.2005 134 T 4.9456 8.4327 114.2498 59.7531 72.1909 173.7008 135 T 4.3574 8.2165 108.3196 60.8287 69.3994 174.4740 136 E 3.5669 8.8571 118.6227 58.2628 27.2575 175.5562 137 K 4.1474 8.5889 112.5897 56.7970 31.2289 176.5458 138 L 4.4903 7.5277 119.4520 53.9794 43.7136 177.8591 139 G 4.2426 8.4224 110.4183 44.8621 0.0000 174.2714 140 F 4.4791 8.5358 114.4500 59.5253 37.7172 177.4749 141 T 4.2462 6.3763 111.5008 63.9270 68.3464 176.9419 142 G 3.6123 7.8781 108.0357 47.1059 0.0000 174.9720 143 R 4.3268 8.0432 117.6271 55.4380 30.8643 176.0275 144 Q 3.7861 7.9571 116.7433 57.3424 26.6639 174.0985 145 E 4.4448 8.4715 117.5226 56.4833 30.4209 176.6796 146 G 2.6580 6.7189 105.2524 45.0599 0.0000 171.4175 147 I 4.7873 7.2991 111.1175 59.2871 41.7024 173.9378 148 A 5.2444 8.8889 123.9084 50.8994 23.5120 174.2861 149 C 5.0552 8.5625 117.4655 58.3832 35.5801 172.2209 150 E 5.4236 9.5824 126.4809 54.6449 32.3560 174.3859 151 A 5.1961 8.9713 126.4576 50.7289 23.3187 175.4898 152 V 5.0421 8.7030 113.1046 59.6329 36.2433 174.7008 153 A 5.0351 9.1468 124.3031 50.1706 23.2073 174.7903 154 L 4.9831 8.8042 122.7537 53.4012 44.7162 175.0961 155 L 5.1910 9.2247 127.4182 53.2791 44.1151 175.7926 156 I 5.1218 8.6290 123.0510 59.0522 41.0584 174.9943 157 R 4.1214 8.4690 126.1880 56.7975 30.4833 176.2105 158 Q 4.2664 8.6039 127.0945 56.2721 28.6852 175.1095 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 0 S 8.33 4.50 0.00 4.08 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.41 4.47 0.00 1.73 1.76 0.93 0.27 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 2 I 8.52 5.18 1.91 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 1.36 0.88 0.94 0.00 0.00 3 R 9.38 4.72 0.00 1.37 1.66 0.00 3.24 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.41 0.00 4 I 8.34 4.90 1.86 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 1.28 1.46 0.90 0.00 0.00 5 G 9.00 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 H 8.86 5.54 0.00 3.18 3.09 0.00 5.62 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 7 G 9.04 4.46 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 8 F 8.67 5.58 0.00 2.99 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 9 D 8.04 4.53 0.00 2.70 2.39 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 10 V 7.92 4.80 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 0.61 0.00 0.00 0.72 0.00 0.00 11 H 9.00 4.72 0.00 3.19 3.07 0.00 5.82 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 12 A 8.02 4.39 0.92 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 0.00 0.00 13 F 8.01 4.72 0.00 3.00 2.90 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 14 G 8.76 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.92 4.96 0.00 2.02 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 2.28 2.27 0.00 16 D 8.54 5.51 0.00 2.58 2.66 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 17 R 9.10 4.64 0.00 1.86 1.88 0.00 3.04 0.00 0.00 3.12 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 18 P 0.00 4.99 0.00 2.13 2.05 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 19 L 9.11 4.90 0.00 1.55 1.52 0.65 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.31 4.93 1.86 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 1.34 0.60 0.91 0.00 0.00 21 I 8.97 4.45 1.88 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 1.24 1.15 0.92 0.00 0.00 22 G 9.62 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 23 G 8.50 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 24 V 7.77 4.49 2.23 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 0.98 0.00 0.00 1.00 0.00 0.00 25 E 8.72 4.92 0.00 1.90 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 2.29 2.34 0.00 26 V 8.91 4.69 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 0.80 0.00 0.00 0.98 0.00 0.00 27 P 0.00 4.80 0.00 2.10 2.07 0.00 3.74 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 28 Y 9.11 4.69 0.00 2.98 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 29 H 8.21 5.22 0.00 3.04 2.97 0.00 5.93 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.77 4.38 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 1.30 0.00 0.00 31 G 8.62 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 32 F 8.58 3.90 0.00 2.99 2.99 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 33 I 7.22 3.68 1.41 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 1.17 0.40 0.62 0.00 0.00 34 A 8.32 4.34 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 35 H 8.84 4.98 0.00 3.19 3.28 0.00 5.71 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.63 4.74 0.00 4.06 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 37 D 8.74 4.46 0.00 2.78 2.97 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 38 G 8.01 3.60 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 0.00 0.00 0.00 39 D 7.99 4.44 0.00 2.78 2.42 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 40 V 8.33 4.43 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 0.77 0.00 0.00 0.95 0.00 0.00 41 A 7.90 3.93 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 42 L 8.12 4.01 0.00 1.67 1.73 0.95 1.17 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 43 H 8.21 4.27 0.00 3.25 3.29 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.15 3.95 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 45 L 7.93 3.90 0.00 1.87 1.90 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 46 T 8.28 3.90 4.43 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 1.22 0.00 0.00 47 D 8.41 4.37 0.00 2.85 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 48 A 8.05 4.23 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 49 I 7.89 3.65 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.96 0.98 0.00 0.00 50 L 8.07 4.17 0.00 1.69 1.69 0.86 0.90 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 51 G 8.57 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 52 A 8.10 4.48 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 53 A 7.25 4.07 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 54 A 7.41 3.64 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 55 L 8.48 4.55 0.00 1.72 1.66 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 56 G 10.23 3.87 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 0.00 0.00 0.00 57 D 8.68 4.56 0.00 3.02 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 58 I 9.16 3.38 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.30 0.88 0.00 0.00 59 G 8.64 3.88 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 0.00 0.00 0.00 60 K 7.45 4.55 0.00 1.62 1.74 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.66 7.81 61 L 7.42 3.79 0.00 1.41 1.04 0.87 0.53 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 62 F 7.57 4.98 0.00 3.05 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 63 P 0.00 4.59 0.00 2.20 2.15 0.00 3.94 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 2.03 2.00 0.00 *70 K 8.04 4.27 0.00 1.61 1.54 0.00 0.94 0.00 0.00 0.61 0.00 0.00 2.55 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.10 1.21 7.81 71 N 8.13 4.57 0.00 2.75 2.93 0.00 0.00 6.86 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.91 4.12 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 73 D 8.07 4.77 0.00 2.74 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 74 S 8.71 4.25 0.00 3.85 3.89 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 75 R 8.15 4.12 0.00 1.83 2.10 0.00 3.13 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 76 G 8.09 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.81 4.14 0.00 1.90 1.79 1.02 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.34 3.99 0.00 1.83 1.83 0.95 0.83 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 79 R 8.67 4.05 0.00 2.11 2.06 0.00 3.24 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 80 E 8.49 3.93 0.00 2.23 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 1.47 2.05 0.00 81 A 8.13 3.96 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 82 F 8.53 4.22 0.00 3.05 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 83 R 8.08 3.70 0.00 2.13 2.07 0.00 3.17 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 84 Q 7.85 4.16 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 85 V 7.74 3.81 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 0.74 0.00 0.00 0.96 0.00 0.00 86 Q 7.99 4.20 0.00 1.38 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 87 E 7.89 4.02 0.00 2.17 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 2.30 2.47 0.00 88 K 7.66 4.38 0.00 2.11 1.93 0.00 1.80 0.00 0.00 1.82 0.00 0.00 3.18 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.66 7.81 89 G 8.15 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 0.00 0.00 0.00 90 Y 7.62 5.18 0.00 3.23 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 91 K 8.93 5.17 0.00 1.91 1.96 0.00 1.36 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.65 1.49 7.81 92 I 8.67 3.94 1.88 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.45 0.95 0.00 0.00 93 G 9.37 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 94 N 7.48 5.09 0.00 2.83 2.88 0.00 0.00 5.79 7.68 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 95 V 8.72 4.98 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 0.71 0.00 0.00 0.98 0.00 0.00 96 D 8.85 5.17 0.00 2.73 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 97 I 8.94 4.93 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.40 0.91 0.00 0.00 98 T 9.08 4.95 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 1.23 0.00 0.00 99 I 8.72 4.33 1.88 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 1.22 0.69 0.92 0.00 0.00 100 I 9.00 4.86 1.87 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.94 0.86 0.00 0.00 101 A 8.49 4.74 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 0.00 102 Q 8.38 4.22 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 103 A 7.35 4.78 1.22 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 0.00 0.00 104 P 0.00 4.35 0.00 2.18 1.98 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 105 K 8.15 3.78 0.00 1.80 1.71 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.05 7.81 *107 R 8.58 4.49 0.00 1.93 2.04 0.00 3.16 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 108 P 0.00 4.26 0.00 1.84 2.03 0.00 3.64 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 1.99 2.08 0.00 109 H 7.91 4.80 0.00 3.17 3.30 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 7.80 3.75 2.01 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 1.31 0.48 0.97 0.00 0.00 111 D 8.21 4.43 0.00 2.73 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 0.00 112 A 7.56 4.20 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.18 4.21 0.00 2.07 2.02 0.00 3.13 0.00 0.00 3.50 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.88 0.00 115 A 8.17 3.95 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 0.00 116 K 7.94 3.95 0.00 1.84 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.63 7.81 117 I 7.67 3.68 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.76 0.87 0.00 0.00 118 A 8.61 3.98 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 0.00 119 E 8.06 3.81 0.00 2.24 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 120 D 7.93 4.39 0.00 2.68 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 0.00 121 L 7.59 3.26 0.00 1.45 1.26 0.85 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 122 Q 7.23 3.21 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.65 0.00 0.00 0.00 0.00 0.00 2.33 2.17 0.00 123 C 7.72 4.72 0.00 3.24 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 0.00 124 D 8.93 4.67 0.00 2.71 2.67 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 0.00 125 I 8.19 3.68 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.17 0.90 0.00 0.00 126 E 8.30 4.01 0.00 2.04 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 2.32 2.43 0.00 127 Q 8.16 4.40 0.00 2.29 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.52 0.00 0.00 0.00 0.00 0.00 2.42 2.28 0.00 128 V 7.73 4.72 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 0.72 0.00 0.00 0.89 0.00 0.00 129 N 9.22 5.11 0.00 2.83 2.74 0.00 0.00 6.13 8.57 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 0.00 130 V 8.37 4.98 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 0.90 0.00 0.00 0.93 0.00 0.00 131 K 9.46 4.90 0.00 1.77 1.84 0.00 1.31 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.51 1.37 7.81 132 A 8.42 5.18 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 0.00 133 T 9.09 4.79 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 1.21 0.00 0.00 134 T 8.43 4.95 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 135 T 8.22 4.36 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 1.10 0.00 0.00 136 E 8.86 3.57 0.00 2.10 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 2.25 2.24 0.00 137 K 8.59 4.15 0.00 1.91 1.95 0.00 1.67 0.00 0.00 1.56 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.50 7.81 138 L 7.53 4.49 0.00 1.79 1.53 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.42 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 0.00 140 F 8.54 4.48 0.00 3.38 3.33 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 0.00 141 T 6.38 4.25 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 0.87 0.00 0.00 142 G 7.88 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.04 4.33 0.00 1.86 2.03 0.00 3.33 0.00 0.00 3.25 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 144 Q 7.96 3.79 0.00 2.34 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 145 E 8.47 4.44 0.00 2.18 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 2.32 0.00 146 G 6.72 2.66 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 0.00 147 I 7.30 4.79 1.91 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.75 1.12 0.00 0.00 148 A 8.89 5.24 1.27 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 0.00 0.00 149 C 8.56 5.06 0.00 2.93 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 0.00 150 E 9.58 5.42 0.00 2.19 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 2.26 2.34 0.00 151 A 8.97 5.20 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 0.00 152 V 8.70 5.04 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 0.84 0.00 0.00 1.00 0.00 0.00 153 A 9.15 5.04 1.17 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 0.00 0.00 154 L 8.80 4.98 0.00 1.76 1.69 0.97 0.51 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 0.00 155 L 9.22 5.19 0.00 1.34 1.44 0.65 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 156 I 8.63 5.12 1.95 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 1.17 0.90 0.96 0.00 0.00 157 R 8.47 4.12 0.00 1.84 1.83 0.00 2.91 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.49 0.00 158 Q 8.60 4.27 0.00 2.11 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.32 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.