NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 I 4.1001 8.0249 121.4500 61.1755 38.0630 174.5945 21 I 4.0885 8.2288 127.2336 59.7632 38.2038 174.1473 22 D 4.4841 8.6861 126.2206 56.2781 42.1384 175.9354 23 R 4.4628 7.2479 110.8644 55.5762 31.7615 173.3614 24 I 4.1296 8.1088 118.8719 60.9152 38.0210 175.3394 25 D 4.6496 8.6890 125.3446 56.5896 42.2481 175.2710 26 H 5.3457 7.7788 109.8178 55.4188 31.6186 171.8534 27 L 4.8382 8.3475 117.1624 54.2550 44.1455 174.9502 28 V 4.7290 8.4106 120.2478 61.5115 33.0740 174.6506 29 L 4.7688 8.9163 128.5307 53.3132 44.2535 175.6638 30 T 4.7548 8.5240 121.1304 63.1699 69.8769 174.3323 31 V 5.0540 8.7925 119.3762 59.5795 35.6264 176.7950 32 S 4.3189 8.9010 115.9185 60.0366 63.6840 174.8064 33 D 4.5474 7.7485 120.4034 52.1683 42.8074 174.8570 34 I 3.7284 8.5693 129.2688 64.7147 37.2540 178.4008 35 S 4.1471 8.1043 115.0274 62.0315 62.7336 176.7534 36 T 3.9220 8.3066 118.1595 67.0292 68.2108 176.8074 37 T 4.0864 8.2565 117.7275 66.8655 68.5349 176.7963 38 I 3.8873 8.4561 122.0783 64.3714 37.1321 178.4770 39 R 3.9139 8.3031 119.6296 59.2751 29.8598 178.2664 40 F 4.0208 8.3024 120.3857 61.7503 39.3952 176.8672 41 Y 3.4882 8.2246 116.0123 60.4372 37.5116 178.5106 42 E 4.2544 8.0555 121.1623 58.8365 29.5594 179.0102 43 E 3.8692 7.9033 117.1812 58.9762 29.5490 179.1503 44 V 3.5598 7.1618 117.2512 65.1868 31.9251 177.1173 45 L 3.7571 7.0152 115.8118 54.6190 41.9051 177.6788 46 G 4.3124 7.8372 105.7940 47.1419 0.0000 173.5675 47 F 4.9772 8.0351 119.6154 57.2178 40.5736 174.2187 48 S 4.9137 9.2095 114.2647 56.9994 66.8037 173.5563 49 A 5.2989 8.7662 122.8735 50.5054 21.9896 176.0423 50 V 4.6284 8.9279 112.0389 59.9562 36.6869 175.0170 51 T 4.8364 8.6225 119.0770 62.3367 70.6022 173.2357 52 F 4.5711 9.2584 125.9251 55.4968 43.3193 175.7589 53 K 3.6394 9.8649 115.0932 57.0802 29.6770 177.3667 54 Q 3.7887 8.7629 114.2097 56.9320 28.3004 173.5012 55 N 4.6986 7.7800 115.7271 51.2724 40.0494 175.6685 56 R 4.4090 8.1867 118.8581 55.4543 34.4952 176.3665 57 K 5.1798 8.9522 123.6252 55.5536 34.2228 175.9096 58 A 4.9681 8.1891 120.9672 51.1669 22.7060 175.1199 59 L 4.9337 8.9240 121.6098 53.7635 43.7207 175.8403 60 I 4.6466 10.2531 124.1222 59.6677 40.0278 174.7479 61 F 4.5927 8.2463 117.2697 56.6853 40.8705 174.4507 62 G 3.6300 8.9233 110.7120 47.4072 0.0000 173.6404 63 A 4.4492 8.4503 127.2640 51.7655 18.9712 175.7255 64 Q 4.6970 6.9931 118.4493 55.6145 33.0311 174.0319 65 K 4.1102 7.4208 117.3629 56.7368 36.6290 174.6432 66 I 4.8758 8.5355 120.7166 59.5173 40.4546 175.0840 67 N 4.9080 9.1054 125.6505 53.1092 39.8420 174.2377 68 L 5.0340 8.4374 122.9149 53.4122 43.7008 175.4958 69 H 4.8471 9.1066 124.1061 54.0905 32.2483 172.4357 70 Q 4.5946 8.7677 128.5564 55.6691 29.3079 175.8173 71 Q 4.0100 8.5066 125.6399 56.9428 29.5161 175.9109 72 E 3.9077 8.6243 116.2741 57.3393 28.2818 174.8936 *74 E 4.2840 7.5224 119.6236 56.3489 30.3884 176.5492 75 F 3.4265 9.1780 124.3739 57.6530 36.7069 172.9479 76 E 3.9638 8.5388 127.8806 58.4973 29.2701 176.2151 77 P 4.4260 0.0000 0.0000 63.0266 29.4975 174.7447 78 K 4.5246 7.8750 123.5031 55.4976 35.6939 175.8925 79 A 4.2400 8.3026 121.6238 52.1024 18.7844 177.9506 80 S 4.3334 8.6293 115.8641 61.2271 63.2305 175.5115 81 R 4.5899 7.4400 117.5795 52.7575 30.3158 171.6715 82 P 4.2770 0.0000 0.0000 63.1702 32.0094 176.5087 83 T 4.5181 8.2765 119.0510 61.3642 71.7208 171.6994 84 P 4.8295 0.0000 0.0000 63.3112 31.9102 176.8726 85 G 3.9632 9.0880 108.9207 46.6444 0.0000 174.1507 86 S 4.5008 7.6609 112.0409 57.9498 64.0250 174.2447 87 A 4.3649 7.6061 123.7111 52.0757 20.1468 176.4769 88 D 5.0729 8.5342 119.5649 53.0569 42.7100 174.0632 89 L 4.7513 9.0265 125.0307 52.5284 45.5832 174.9673 90 C 5.0139 8.1601 120.7661 57.7335 33.8956 172.9026 91 F 5.0800 9.1906 125.3840 55.9087 41.3918 174.8216 92 I 4.9077 8.5311 122.9857 60.5041 38.5519 174.9705 93 T 4.8905 8.9876 120.5966 60.4885 70.0663 173.8829 94 S 4.6049 8.8079 119.5766 58.7967 64.0980 174.5573 95 T 4.1662 7.5909 118.9780 62.2972 69.1945 172.7577 96 P 4.2264 0.0000 0.0000 63.1649 32.1655 177.0205 97 I 3.6675 8.8335 122.4497 64.5679 37.8403 177.8021 98 N 4.4234 8.1004 116.5891 56.2194 38.3350 177.0055 99 D 4.3811 7.9855 120.4271 57.1064 40.8344 178.9163 100 V 3.5368 7.6852 118.4971 65.7030 31.5332 177.9429 101 V 3.5361 7.7967 118.0498 66.1555 31.3043 177.8140 102 S 4.0568 7.9337 112.5693 61.4757 62.2531 175.9146 103 E 3.9206 8.3238 121.1984 59.5439 29.2793 179.4199 104 I 3.6325 8.0492 120.0551 64.3674 37.1715 178.4967 105 L 3.9795 8.1266 119.9064 58.0234 41.2758 179.6912 106 Q 4.2445 8.2355 116.6217 58.3923 28.6742 177.8233 107 A 4.3057 7.6202 119.5848 51.8169 18.6411 177.6634 108 G 3.7974 8.2135 105.7497 46.1662 0.0000 173.4377 109 I 4.3859 7.3598 120.1694 58.8841 38.6048 176.0036 110 S 4.2518 8.5769 120.0998 58.2003 62.9844 172.9469 111 I 4.5043 8.0294 127.2827 59.8083 38.3607 176.1776 112 V 3.7206 8.9831 126.3474 65.6060 31.8392 175.3167 113 E 4.5361 8.0733 117.2607 56.0150 31.9752 174.5491 114 G 4.3185 8.8519 108.2104 43.5583 0.0000 171.3979 115 P 4.7556 0.0000 0.0000 62.8455 31.6432 176.8618 116 V 4.5588 8.8303 123.7732 59.7399 34.5907 174.5464 117 E 4.3288 8.8868 125.1790 56.8095 30.3673 175.6976 118 R 4.7541 9.2442 124.6742 55.2268 35.7348 173.6499 119 T 4.6264 8.4534 116.6411 62.3335 69.3027 175.8729 120 G 3.7821 9.4330 117.5529 43.8708 0.0000 173.8117 121 A 4.1771 8.6904 121.5396 54.9774 18.3377 178.5893 122 T 4.6748 9.4159 110.1029 61.5287 69.9935 174.0704 123 G 4.1373 7.1296 109.4478 45.5439 0.0000 171.7067 124 E 4.7177 8.0121 118.6106 55.2628 30.8303 175.6100 125 I 4.7319 8.4893 118.6281 59.3866 40.5653 176.3366 *127 S 4.6062 8.6881 115.5315 58.3065 64.5460 171.8768 128 I 5.1423 8.1405 121.6773 59.9249 41.3562 173.9644 129 Y 5.4088 9.1975 123.8382 56.3339 41.3324 174.7924 130 I 5.0606 8.9304 115.5380 59.7501 41.9527 173.6778 131 R 5.7522 8.7480 120.3137 53.6224 33.2776 175.5952 132 D 3.3700 8.1589 121.5353 50.8129 41.7391 175.1700 133 P 3.9803 0.0000 0.0000 65.9047 30.9317 177.3851 134 D 4.4543 8.0427 115.1491 54.6894 41.1934 177.5999 135 G 4.0712 8.2984 108.4001 44.7671 0.0000 173.6708 136 N 4.6307 8.7614 117.9569 53.1480 40.0589 173.7508 137 L 4.9154 8.7423 124.5900 54.2511 43.9274 175.2256 138 I 4.8759 9.1893 127.4642 59.6024 40.2113 174.0651 139 E 4.4664 9.5720 129.7842 54.6040 31.2671 174.4454 140 I 4.9054 8.4950 129.2456 60.0591 39.1897 175.3374 141 S 4.9679 9.1959 122.3816 56.7574 67.5482 172.7374 142 Q 4.9744 8.2115 121.4461 54.4558 32.2929 174.2033 143 Y 4.2082 8.8104 123.6404 57.8659 38.8272 175.9927 144 V 3.8503 8.1631 121.8091 63.2589 31.5594 175.7553 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 20 I 8.02 4.10 1.87 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 1.41 1.06 0.91 0.00 0.00 21 I 8.23 4.09 1.87 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 1.41 0.14 0.90 0.00 0.00 22 D 8.69 4.48 0.00 2.63 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 23 R 7.25 4.46 0.00 1.86 1.89 0.00 3.00 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 24 I 8.11 4.13 1.89 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 1.29 0.56 0.94 0.00 0.00 25 D 8.69 4.65 0.00 2.75 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 H 7.78 5.35 0.00 3.20 3.17 0.00 5.34 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 27 L 8.35 4.84 0.00 1.71 1.77 0.97 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.41 4.73 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 0.85 0.00 0.00 0.96 0.00 0.00 29 L 8.92 4.77 0.00 1.62 1.59 0.97 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.52 4.75 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 1.14 0.00 0.00 31 V 8.79 5.05 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 0.80 0.00 0.00 0.96 0.00 0.00 32 S 8.90 4.32 0.00 3.96 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 33 D 7.75 4.55 0.00 2.77 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 34 I 8.57 3.73 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.39 0.95 0.00 0.00 35 S 8.10 4.15 0.00 4.07 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 36 T 8.31 3.92 4.42 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 1.23 0.00 0.00 37 T 8.26 4.09 4.50 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 1.48 0.00 0.00 38 I 8.46 3.89 2.08 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.03 0.99 0.00 0.00 39 R 8.30 3.91 0.00 2.05 2.16 0.00 3.13 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 40 F 8.30 4.02 0.00 3.12 3.14 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 0.00 0.00 0.00 41 Y 8.22 3.49 0.00 3.14 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 42 E 8.06 4.25 0.00 2.05 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 2.55 2.54 0.00 43 E 7.90 3.87 0.00 1.89 1.90 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 2.30 2.41 0.00 44 V 7.16 3.56 1.03 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 0.46 0.00 0.00 0.39 0.00 0.00 45 L 7.02 3.76 0.00 0.75 0.28 0.42 0.10 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 46 G 7.84 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.04 4.98 0.00 3.05 3.08 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 0.00 0.00 0.00 48 S 9.21 4.91 0.00 3.78 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 49 A 8.77 5.30 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 50 V 8.93 4.63 2.45 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 0.99 0.00 0.00 1.05 0.00 0.00 51 T 8.62 4.84 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 1.21 0.00 0.00 52 F 9.26 4.57 0.00 2.86 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 53 K 9.86 3.64 0.00 1.91 1.85 0.00 1.84 0.00 0.00 1.93 0.00 0.00 3.02 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.42 1.34 7.81 54 Q 8.76 3.79 0.00 2.32 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.45 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 55 N 7.78 4.70 0.00 2.69 2.77 0.00 0.00 6.94 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 56 R 8.19 4.41 0.00 1.84 1.70 0.00 3.09 0.00 0.00 3.08 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 57 K 8.95 5.18 0.00 1.70 1.75 0.00 2.03 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.26 7.81 58 A 8.19 4.97 1.18 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 0.00 0.00 59 L 8.92 4.93 0.00 1.64 1.76 0.58 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 60 I 10.25 4.65 1.92 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 1.27 1.02 0.80 0.00 0.00 61 F 8.25 4.59 0.00 2.57 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 0.00 0.00 0.00 62 G 8.92 3.63 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 0.00 0.00 0.00 63 A 8.45 4.45 1.19 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 0.00 0.00 0.00 64 Q 6.99 4.70 0.00 1.23 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.52 0.00 0.00 0.00 0.00 0.00 2.25 2.11 0.00 65 K 7.42 4.11 0.00 1.84 1.60 0.00 1.04 0.00 0.00 1.37 0.00 0.00 2.57 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.12 1.26 7.81 66 I 8.54 4.88 1.95 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.21 0.98 0.00 0.00 67 N 9.11 4.91 0.00 2.62 2.66 0.00 0.00 6.50 6.28 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 68 L 8.44 5.03 0.00 1.54 1.61 0.96 0.82 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 69 H 9.11 4.85 0.00 3.15 3.30 0.00 5.60 0.00 0.00 0.00 0.00 6.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 8.77 4.59 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 71 Q 8.51 4.01 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.05 0.00 0.00 0.00 0.00 0.00 2.55 2.31 0.00 72 E 8.62 3.91 0.00 2.28 2.31 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 2.15 2.29 0.00 *74 E 7.52 4.28 0.00 2.18 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 2.25 2.42 0.00 75 F 9.18 3.43 0.00 3.12 3.35 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 76 E 8.54 3.96 0.00 1.83 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 2.26 2.37 0.00 77 P 0.00 4.43 0.00 2.29 2.12 0.00 3.56 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.01 0.00 78 K 7.87 4.52 0.00 1.85 1.93 0.00 1.65 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.62 1.47 7.81 79 A 8.30 4.24 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 80 S 8.63 4.33 0.00 3.88 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 81 R 7.44 4.59 0.00 1.75 1.82 0.00 3.24 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 82 P 0.00 4.28 0.00 2.08 2.11 0.00 3.68 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 83 T 8.28 4.52 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 1.22 0.00 0.00 84 P 0.00 4.83 0.00 2.04 1.98 0.00 3.80 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 85 G 9.09 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 0.00 0.00 0.00 86 S 7.66 4.50 0.00 4.00 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 87 A 7.61 4.36 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 88 D 8.53 5.07 0.00 2.66 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 9.03 4.75 0.00 1.28 0.98 0.98 0.51 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 90 C 8.16 5.01 0.00 2.95 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 91 F 9.19 5.08 0.00 2.98 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 92 I 8.53 4.91 2.03 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.06 1.11 0.00 0.00 93 T 8.99 4.89 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 1.34 0.00 0.00 94 S 8.81 4.60 0.00 4.04 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 95 T 7.59 4.17 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 96 P 0.00 4.23 0.00 2.39 2.01 0.00 3.62 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 2.20 2.11 0.00 97 I 8.83 3.67 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.21 0.91 0.00 0.00 98 N 8.10 4.42 0.00 2.77 2.85 0.00 0.00 7.16 8.08 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 99 D 7.99 4.38 0.00 2.87 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 0.00 100 V 7.69 3.54 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 1.06 0.00 0.00 0.96 0.00 0.00 101 V 7.80 3.54 2.24 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 1.02 0.00 0.00 0.97 0.00 0.00 102 S 7.93 4.06 0.00 4.03 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 0.00 103 E 8.32 3.92 0.00 2.19 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 2.30 2.49 0.00 104 I 8.05 3.63 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.01 0.95 0.00 0.00 105 L 8.13 3.98 0.00 1.83 1.71 0.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 8.24 4.24 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 107 A 7.62 4.31 1.30 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 0.00 108 G 8.21 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 0.00 0.00 0.00 109 I 7.36 4.39 2.01 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 1.31 0.92 1.00 0.00 0.00 110 S 8.58 4.25 0.00 3.83 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 0.00 111 I 8.03 4.50 1.89 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 1.32 0.73 1.00 0.00 0.00 112 V 8.98 3.72 2.24 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 0.66 0.00 0.00 0.96 0.00 0.00 113 E 8.07 4.54 0.00 1.84 1.59 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 2.19 2.16 0.00 114 G 8.85 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 4.76 0.00 1.96 2.02 0.00 3.67 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 116 V 8.83 4.56 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 0.90 0.00 0.00 0.96 0.00 0.00 117 E 8.89 4.33 0.00 2.01 1.91 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 2.29 2.34 0.00 118 R 9.24 4.75 0.00 1.62 1.77 0.00 3.43 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.86 0.00 119 T 8.45 4.63 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 1.23 0.00 0.00 120 G 9.43 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 0.00 121 A 8.69 4.18 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 T 9.42 4.67 4.14 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 0.00 0.00 1.19 0.00 0.00 123 G 7.13 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.01 4.72 0.00 1.93 1.87 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 2.43 2.27 0.00 125 I 8.49 4.73 1.53 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.32 -0.25 0.00 0.00 *127 S 8.69 4.61 0.00 3.77 3.40 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 0.00 128 I 8.14 5.14 1.83 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 1.23 0.75 0.92 0.00 0.00 129 Y 9.20 5.41 0.00 2.85 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 0.00 130 I 8.93 5.06 1.96 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.00 0.99 0.00 0.00 131 R 8.75 5.75 0.00 1.62 1.76 0.00 3.22 0.00 0.00 3.91 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.43 0.00 132 D 8.16 3.37 0.00 1.89 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 P 0.00 3.98 0.00 1.97 2.11 0.00 3.22 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.87 0.00 134 D 8.04 4.45 0.00 2.71 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 0.00 135 G 8.30 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 N 8.76 4.63 0.00 2.99 2.84 0.00 0.00 6.59 6.28 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 0.00 137 L 8.74 4.92 0.00 1.83 1.60 1.08 1.04 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 0.00 138 I 9.19 4.88 2.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.07 1.19 0.00 0.00 139 E 9.57 4.47 0.00 1.72 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 0.00 1.68 1.47 0.00 140 I 8.49 4.91 1.83 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 1.24 0.81 0.91 0.00 0.00 141 S 9.20 4.97 0.00 3.56 3.51 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 0.00 142 Q 8.21 4.97 0.00 2.08 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.09 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 143 Y 8.81 4.21 0.00 3.01 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 0.00 144 V 8.16 3.85 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 0.74 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.