NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2163 8.4445 119.1126 54.1007 28.7144 174.8912 4 L 3.9054 8.4379 123.8676 53.2257 41.2413 173.5444 5 T 4.0512 8.8309 119.9662 60.5143 68.8328 174.1168 6 E 3.8504 8.9784 126.9887 59.9582 28.8760 178.9209 7 E 3.9993 8.2566 120.3309 58.8635 29.3872 178.2296 8 Q 3.9910 7.9046 116.0342 57.3977 29.1379 176.8869 9 I 3.9081 8.6292 120.3815 64.1370 38.1040 177.3248 10 A 4.0073 8.0245 120.9360 55.6697 17.8242 179.4804 11 E 4.0807 8.0246 116.5379 59.6638 29.6884 179.1356 12 F 4.8079 8.8532 116.8836 59.1652 38.9970 177.2700 13 K 4.4626 7.9978 118.0849 58.6452 32.7363 178.2467 14 E 4.3556 8.6189 117.3293 58.5555 29.1800 178.2511 15 A 4.6932 7.9067 120.3440 53.5890 20.1819 178.3555 16 F 3.6331 8.0741 119.1430 61.6867 39.3637 177.6879 17 S 4.0977 9.0021 114.8793 61.4610 62.5782 176.1811 18 L 4.0547 7.3752 121.4275 57.2077 41.6885 177.4900 19 F 4.4892 7.4162 114.4650 57.2845 39.5009 175.9011 20 D 4.4110 8.0575 124.3957 51.8193 39.4288 176.2478 21 K 3.7273 8.1621 124.7542 59.0755 33.1956 177.6282 22 D 4.5390 8.5619 118.3231 58.8819 38.8389 178.6203 23 G 3.8730 7.4089 100.9952 47.7324 0.0000 175.6684 24 D 4.3274 8.1549 120.2776 52.9732 39.6224 175.8623 25 G 3.9414 7.3239 110.2699 44.2482 0.0000 172.2191 26 T 5.2482 7.9472 109.2316 59.5812 72.5557 173.0256 27 I 4.8339 8.6452 114.9612 59.1203 41.2539 175.1472 28 T 4.5247 9.9067 115.8403 61.9461 70.1117 175.5320 29 T 3.8097 8.6414 117.6758 66.7094 68.4492 176.6808 30 K 3.7980 8.0568 119.6682 59.7687 32.1272 178.6936 31 E 3.8510 7.9512 118.2730 59.5261 29.4226 179.0570 32 L 3.8838 8.0345 120.4630 58.2113 42.0012 179.2737 33 G 3.5571 7.9769 105.3489 48.2350 0.0000 175.8511 34 T 3.7182 7.6876 118.5139 66.0850 68.1895 176.9556 35 V 2.8033 7.6353 119.5601 66.2349 31.6469 177.6564 36 M 4.0605 7.8664 118.5019 58.0003 31.8691 178.4902 37 R 4.7311 8.3844 119.4697 59.0355 30.2008 179.1969 38 S 4.1907 7.5428 112.4878 61.3267 62.9433 175.8342 39 L 4.3208 7.8915 120.0320 54.0758 42.7846 175.9145 40 G 3.5737 8.7862 108.5425 44.0458 0.0000 172.6437 41 Q 4.5364 7.3723 121.0779 56.7587 32.8529 173.7179 42 N 5.1246 8.4286 114.8373 50.8296 38.1187 172.2612 43 P 4.2593 0.0000 0.0000 63.6426 32.2723 177.2898 44 T 3.9414 8.1712 110.0048 61.9688 68.9522 174.9553 45 E 4.0357 8.8411 121.1659 57.9922 29.3858 177.5142 46 A 4.5617 8.4187 121.3871 52.5250 21.4612 177.9866 47 E 4.0786 9.6198 116.2120 58.1059 29.9027 178.0901 48 L 4.1641 7.8353 118.9555 57.2012 42.5227 177.5475 49 Q 4.4165 7.6847 116.1361 57.1295 29.0062 177.3962 50 D 4.3408 7.4635 119.0300 57.6266 40.6771 178.2766 51 M 4.2161 7.9335 118.6306 58.3495 31.9874 178.5737 52 I 3.7909 7.6576 118.3157 64.0512 38.1927 177.1072 53 N 4.3674 8.8041 117.1649 55.6998 38.8308 175.5149 54 E 4.2320 7.5833 117.8113 57.3478 30.8416 176.2084 55 V 4.5565 7.6825 111.2131 61.2980 32.1047 178.1957 56 D 4.6880 7.7353 120.7710 54.0038 38.9863 176.9422 57 A 4.7406 7.9583 121.6870 51.5327 20.7553 175.4843 58 D 5.1598 7.7315 119.9648 53.8638 44.0998 177.7739 59 G 3.7548 8.6849 107.3164 46.8334 0.0000 172.4543 60 N 4.4498 8.2277 119.8118 50.8140 35.2462 172.3565 61 G 3.3554 7.3382 112.1392 44.7652 0.0000 170.6573 62 T 5.4269 7.6723 109.6849 59.2510 71.9261 172.9695 63 I 4.7861 8.2205 116.6649 59.3904 41.1521 175.2649 64 D 5.2439 8.4300 124.6563 52.8430 41.6802 175.3009 65 F 3.0763 8.8887 115.5096 60.3013 39.2412 175.8803 66 P 4.5332 0.0000 0.0000 65.2594 31.3776 177.2968 67 E 4.3241 9.2938 117.3698 57.6530 30.4257 178.1559 68 F 4.3700 8.6047 121.3392 60.5904 39.3868 177.1837 69 L 4.0097 8.0122 118.4510 58.5966 42.0679 177.9340 70 T 4.1149 7.8735 115.7056 65.3594 66.9284 177.0599 71 M 3.7011 8.0580 120.3483 58.1503 33.9699 177.0935 72 M 4.5551 7.4881 120.2844 54.1365 28.3928 174.3190 73 A 4.6624 7.6007 124.2780 52.8202 25.4781 179.2228 74 R 4.1874 7.4054 114.5533 58.3435 30.4976 177.7012 75 K 4.3572 7.9389 116.4090 56.4579 33.7457 175.9361 76 M 4.5228 9.1133 117.1644 55.5757 33.7750 176.8185 77 K 4.1037 8.1438 116.5943 57.6974 31.6227 175.2609 78 D 4.6967 7.2991 113.6606 55.6011 43.8239 175.2726 79 T 3.9264 7.6931 113.6296 63.3446 67.7623 174.2145 80 D 4.8180 8.3222 127.1374 53.3347 42.8190 177.3243 81 S 4.4506 8.0057 116.8123 60.9600 62.7991 174.9015 82 E 3.9331 8.3636 122.3223 60.0254 29.3900 177.7864 83 E 3.9738 8.3751 118.4049 58.8163 29.6484 178.0922 84 E 3.9620 8.1463 117.5943 60.0484 29.8524 179.7265 85 I 4.0166 7.7301 118.7129 64.4891 37.0992 178.1756 86 R 4.3890 8.5946 119.4983 58.5897 29.6610 178.3495 87 E 4.0462 8.5288 118.2850 59.1410 29.8943 178.1443 88 A 4.3464 8.3045 120.4360 55.5867 18.4134 178.7802 89 F 3.7279 8.5736 118.2435 61.9865 39.2493 177.4836 90 R 4.0189 8.0684 116.0898 59.1835 29.9210 179.1005 91 V 3.6555 7.8744 117.8274 66.0450 31.7272 177.7648 92 F 4.0506 8.1063 115.6592 59.8719 40.2293 176.4807 93 D 4.5190 7.3168 117.2364 53.8216 36.8029 175.5802 94 K 4.0104 7.8117 123.3310 59.6152 32.9405 178.7650 95 D 4.3830 7.9393 117.0838 56.1297 39.4024 177.3231 96 G 4.2346 7.9593 108.3050 45.6242 0.0000 173.5411 97 N 4.7098 8.7261 115.6524 51.7167 37.5587 176.3406 98 G 4.1137 8.3499 105.4530 46.4915 0.0000 173.2535 99 Y 5.0375 7.7899 115.9508 56.1091 42.0172 175.4396 100 I 4.4732 9.6585 125.0150 59.7611 38.7449 175.3074 101 S 4.7120 10.3765 123.6954 57.3870 64.4473 175.5105 102 A 4.1629 8.8416 123.0981 55.2901 18.0061 179.7506 103 A 3.9402 8.0659 119.2247 55.6597 18.5005 179.5792 104 E 3.9947 8.0061 114.1850 59.0213 29.6925 178.7409 105 L 4.0786 8.3427 122.0208 58.2736 42.0723 179.0202 106 R 3.8789 7.9426 117.9334 59.9129 29.9510 177.7540 107 H 4.1134 8.0983 116.6328 59.0661 29.7902 176.1962 108 V 3.8702 7.7821 118.9886 64.7443 32.0270 177.6319 109 M 4.1948 8.2332 118.5640 57.8648 31.5212 178.0905 110 T 4.7504 7.7444 109.9333 62.7188 69.8475 176.2453 111 N 4.5736 7.7330 119.8367 55.4366 38.4380 176.3536 112 L 4.1642 7.5589 117.5947 54.9891 41.3669 177.8087 113 G 3.8542 8.0938 107.2109 45.1047 0.0000 173.3891 114 E 4.3014 7.9214 121.3332 54.2853 30.0393 175.2376 115 K 4.3575 8.6039 126.9105 56.0062 31.8194 176.2854 116 L 4.6572 8.1569 124.0130 52.9206 43.8594 176.3774 117 T 4.1507 8.2481 116.9176 61.3488 67.6659 174.9608 118 D 4.4285 8.8417 128.6245 56.6975 41.2613 177.4821 119 E 4.3461 8.4628 118.5875 59.3347 30.1908 177.5982 120 E 4.3086 7.7899 116.4671 57.4357 29.5253 179.0379 121 V 3.6764 7.5585 119.1363 65.9412 31.8090 177.1474 122 D 4.4584 8.2241 116.9113 58.2031 40.8438 178.0459 123 Q 3.9888 7.8844 118.8623 59.4838 28.9047 177.6931 124 M 3.8696 8.5526 118.2055 58.9709 31.7936 179.3394 125 I 3.6129 8.0274 119.0942 64.5362 37.6075 178.0862 126 R 3.7927 8.0647 119.8684 59.3790 29.8994 178.0616 127 E 4.0731 8.1475 117.8208 58.2687 29.6782 177.8471 128 A 4.3680 7.2990 119.2838 53.2697 19.5603 177.1997 129 D 4.6676 7.5125 117.2509 54.3269 41.7653 175.8747 130 I 4.2478 10.0376 128.0116 61.8375 38.4417 176.2075 131 D 4.7371 8.3980 117.2055 52.6574 39.4432 177.2265 132 G 4.0428 8.4490 109.4142 46.0504 0.0000 174.7509 133 D 4.3277 8.0414 116.2124 53.8539 38.9373 177.6453 134 G 4.0351 8.8166 107.5964 46.1807 0.0000 173.1561 135 Q 4.8022 7.7533 115.0190 54.3479 32.0753 174.8040 136 V 4.9305 8.4842 112.1152 59.6311 34.9058 175.0039 137 N 5.2536 8.4050 121.2389 50.9842 40.4220 174.9102 138 Y 3.4127 7.9749 119.3181 61.4368 38.3671 177.4879 139 E 3.5723 8.2575 117.8060 60.3139 29.5501 179.2128 140 E 4.0227 9.4104 117.8768 59.1320 29.8470 179.0951 141 F 4.3855 8.4793 122.7619 61.2105 38.9351 177.2040 142 V 3.2589 8.1101 118.3282 66.1366 31.1938 177.4793 143 Q 3.8814 7.7631 117.4347 58.9872 28.3034 178.4182 144 M 3.7803 7.9101 119.1659 58.8063 32.5638 177.9008 145 M 3.8483 7.8059 116.7962 57.0350 32.0253 176.9519 146 T 3.7512 5.7900 107.8729 64.6728 69.5426 174.1165 147 A 3.8237 7.4820 128.1103 51.5978 18.0788 177.2428 148 K 4.1006 8.4460 121.5009 57.4455 32.3039 176.6565 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 Q 8.44 4.22 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 4 L 8.44 3.91 0.00 1.73 1.54 0.92 0.60 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 5 T 8.83 4.05 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 1.25 0.00 0.00 6 E 8.98 3.85 0.00 2.19 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 0.00 2.35 2.38 0.00 7 E 8.26 4.00 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 8 Q 7.90 3.99 0.00 1.95 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.54 0.00 0.00 0.00 0.00 0.00 1.81 2.06 0.00 9 I 8.63 3.91 1.97 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.82 0.90 0.00 0.00 10 A 8.02 4.01 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 11 E 8.02 4.08 0.00 2.27 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 2.42 2.66 0.00 12 F 8.85 4.81 0.00 3.18 3.49 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 13 K 8.00 4.46 0.00 1.97 2.00 0.00 1.80 0.00 0.00 1.92 0.00 0.00 3.05 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.53 1.74 7.81 14 E 8.62 4.36 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 15 A 7.91 4.69 1.40 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 0.00 0.00 0.00 16 F 8.07 3.63 0.00 3.31 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 17 S 9.00 4.10 0.00 4.15 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 18 L 7.38 4.05 0.00 1.85 1.95 0.88 0.49 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 19 F 7.42 4.49 0.00 2.88 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 20 D 8.06 4.41 0.00 2.35 2.51 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 21 K 8.16 3.73 0.00 1.71 1.80 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.41 1.51 7.81 22 D 8.56 4.54 0.00 2.84 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 23 G 7.41 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 24 D 8.15 4.33 0.00 2.76 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 25 G 7.32 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 0.00 0.00 0.00 26 T 7.95 5.25 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 1.18 0.00 0.00 27 I 8.65 4.83 1.61 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.59 -0.10 0.00 0.00 28 T 9.91 4.52 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 1.17 0.00 0.00 29 T 8.64 3.81 4.22 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 1.20 0.00 0.00 30 K 8.06 3.80 0.00 1.80 1.86 0.00 1.55 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.60 7.81 31 E 7.95 3.85 0.00 2.10 1.83 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 2.39 2.28 0.00 32 L 8.03 3.88 0.00 1.79 1.87 1.03 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.98 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 34 T 7.69 3.72 4.09 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 1.17 0.00 0.00 35 V 7.64 2.80 1.86 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 0.53 0.00 0.00 0.54 0.00 0.00 36 M 7.87 4.06 0.00 2.04 2.15 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 2.68 2.78 0.00 37 R 8.38 4.73 0.00 1.75 1.95 0.00 3.07 0.00 0.00 3.27 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 38 S 7.54 4.19 0.00 3.96 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 39 L 7.89 4.32 0.00 1.76 1.64 0.63 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.79 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 41 Q 7.37 4.54 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.86 0.00 0.00 0.00 0.00 0.00 2.17 2.13 0.00 42 N 8.43 5.12 0.00 2.75 2.74 0.00 0.00 6.04 7.75 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 43 P 0.00 4.26 0.00 2.18 2.11 0.00 3.74 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 1.97 1.97 0.00 44 T 8.17 3.94 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 1.28 0.00 0.00 45 E 8.84 4.04 0.00 1.97 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 2.30 2.31 0.00 46 A 8.42 4.56 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 47 E 9.62 4.08 0.00 2.01 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 2.30 2.24 0.00 48 L 7.84 4.16 0.00 1.76 1.67 0.92 0.69 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 49 Q 7.68 4.42 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 50 D 7.46 4.34 0.00 2.75 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 M 7.93 4.22 0.00 2.08 2.14 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 2.60 0.00 52 I 7.66 3.79 1.91 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 1.54 1.66 1.05 0.00 0.00 53 N 8.80 4.37 0.00 2.73 2.87 0.00 0.00 7.24 7.53 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 54 E 7.58 4.23 0.00 2.32 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 2.32 2.39 0.00 55 V 7.68 4.56 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.02 0.00 0.00 56 D 7.74 4.69 0.00 2.75 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 57 A 7.96 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 58 D 7.73 5.16 0.00 2.71 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 59 G 8.68 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 60 N 8.23 4.45 0.00 2.84 2.89 0.00 0.00 6.96 8.31 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 61 G 7.34 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 0.00 0.00 0.00 62 T 7.67 5.43 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 1.21 0.00 0.00 63 I 8.22 4.79 2.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.32 0.98 0.00 0.00 64 D 8.43 5.24 0.00 2.84 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 65 F 8.89 3.08 0.00 2.86 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 66 P 0.00 4.53 0.00 2.17 2.17 0.00 4.19 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 67 E 9.29 4.32 0.00 2.06 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 2.33 2.69 0.00 68 F 8.60 4.37 0.00 3.08 3.06 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 69 L 8.01 4.01 0.00 1.69 1.69 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.87 4.11 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 1.20 0.00 0.00 71 M 8.06 3.70 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 72 M 7.49 4.56 0.00 2.35 2.05 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 2.00 1.83 0.00 73 A 7.60 4.66 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 74 R 7.41 4.19 0.00 1.83 2.01 0.00 3.30 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 75 K 7.94 4.36 0.00 1.68 1.80 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.39 7.81 76 M 9.11 4.52 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 77 K 8.14 4.10 0.00 1.72 1.79 0.00 1.64 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.48 7.81 78 D 7.30 4.70 0.00 2.66 2.51 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 79 T 7.69 3.93 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 1.26 0.00 0.00 80 D 8.32 4.82 0.00 2.66 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 81 S 8.01 4.45 0.00 4.14 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 82 E 8.36 3.93 0.00 2.02 2.11 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 2.40 2.51 0.00 83 E 8.38 3.97 0.00 2.14 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 2.48 0.00 84 E 8.15 3.96 0.00 2.27 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 0.00 2.45 2.54 0.00 85 I 7.73 4.02 2.12 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.17 0.87 0.00 0.00 86 R 8.59 4.39 0.00 1.70 2.14 0.00 2.94 0.00 0.00 2.93 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.34 0.00 87 E 8.53 4.05 0.00 2.12 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 2.39 2.64 0.00 88 A 8.30 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.57 3.73 0.00 3.79 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 90 R 8.07 4.02 0.00 2.02 2.07 0.00 3.25 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.97 0.00 91 V 7.87 3.66 2.29 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 0.37 0.00 0.00 0.90 0.00 0.00 92 F 8.11 4.05 0.00 2.61 2.94 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 93 D 7.32 4.52 0.00 1.92 2.38 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 94 K 7.81 4.01 0.00 1.95 1.87 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.62 1.39 7.81 95 D 7.94 4.38 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 96 G 7.96 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 0.00 0.00 0.00 0.00 97 N 8.73 4.71 0.00 3.07 3.17 0.00 0.00 6.92 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 98 G 8.35 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 99 Y 7.79 5.04 0.00 2.81 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 0.00 100 I 9.66 4.47 1.81 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 0.75 0.02 0.75 0.00 0.00 101 S 10.38 4.71 0.00 3.74 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 0.00 102 A 8.84 4.16 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 0.00 103 A 8.07 3.94 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 0.00 104 E 8.01 3.99 0.00 2.41 2.25 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 2.40 2.33 0.00 105 L 8.34 4.08 0.00 1.75 1.94 0.94 0.83 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 0.00 106 R 7.94 3.88 0.00 2.23 1.94 0.00 3.33 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 107 H 8.10 4.11 0.00 3.13 3.49 0.00 5.99 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.78 3.87 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 0.30 0.00 0.00 0.64 0.00 0.00 109 M 8.23 4.19 0.00 2.14 2.37 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 3.02 0.00 110 T 7.74 4.75 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 1.34 0.00 0.00 111 N 7.73 4.57 0.00 2.64 2.83 0.00 0.00 6.85 6.59 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 0.00 112 L 7.56 4.16 0.00 1.64 1.68 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.09 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 0.00 0.00 0.00 114 E 7.92 4.30 0.00 2.09 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 0.00 2.27 2.33 0.00 115 K 8.60 4.36 0.00 1.80 1.78 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.41 7.81 116 L 8.16 4.66 0.00 1.64 1.59 0.97 0.95 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 0.00 117 T 8.25 4.15 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 1.29 0.00 0.00 118 D 8.84 4.43 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 0.00 119 E 8.46 4.35 0.00 1.98 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 2.48 0.00 120 E 7.79 4.31 0.00 1.98 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 2.33 2.32 0.00 121 V 7.56 3.68 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 1.15 0.00 0.00 0.96 0.00 0.00 122 D 8.22 4.46 0.00 2.84 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 0.00 123 Q 7.88 3.99 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 124 M 8.55 3.87 0.00 2.06 2.05 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 2.87 2.63 0.00 125 I 8.03 3.61 2.02 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 1.42 1.12 0.95 0.00 0.00 126 R 8.06 3.79 0.00 2.26 1.95 0.00 3.10 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 127 E 8.15 4.07 0.00 2.03 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 0.00 2.33 2.33 0.00 128 A 7.30 4.37 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 0.00 129 D 7.51 4.67 0.00 2.85 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 0.00 130 I 10.04 4.25 1.88 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 1.36 0.90 0.91 0.00 0.00 131 D 8.40 4.74 0.00 2.79 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 0.00 132 G 8.45 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 0.00 0.00 0.00 133 D 8.04 4.33 0.00 2.77 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 0.00 134 G 8.82 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 0.00 0.00 0.00 135 Q 7.75 4.80 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.54 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 136 V 8.48 4.93 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 0.90 0.00 0.00 1.03 0.00 0.00 137 N 8.40 5.25 0.00 2.42 2.76 0.00 0.00 6.43 7.45 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 0.00 138 Y 7.97 3.41 0.00 2.02 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 0.00 139 E 8.26 3.57 0.00 2.33 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 2.39 2.40 0.00 140 E 9.41 4.02 0.00 2.33 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 0.00 2.53 2.45 0.00 141 F 8.48 4.39 0.00 3.25 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 0.00 142 V 8.11 3.26 1.83 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 0.80 0.00 0.00 -0.20 0.00 0.00 143 Q 7.76 3.88 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.41 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 144 M 7.91 3.78 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.71 0.00 145 M 7.81 3.85 0.00 1.82 1.49 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.35 0.00 146 T 5.79 3.75 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 1.16 0.00 0.00 147 A 7.48 3.82 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 0.00 148 K 8.45 4.10 0.00 1.81 1.67 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.41 7.81