NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.5742 8.1076 122.4848 52.3454 20.6321 175.1968 3 F 5.3767 7.9743 112.5476 55.7136 40.6722 171.7300 4 Q 4.6850 10.4452 121.0171 54.4264 32.3594 176.1368 5 L 4.7285 8.6832 123.4769 53.0740 41.7816 173.5186 6 E 4.3476 8.7624 123.9008 54.7463 31.4246 175.3224 7 M 4.7419 8.8250 127.5658 53.2256 30.6216 176.0550 8 V 3.6909 7.8100 122.1505 64.5679 32.1948 176.7003 9 T 4.3290 7.5796 112.4503 60.1311 70.0586 171.4358 10 R 3.9076 8.5343 123.4486 57.6601 29.8045 175.0707 11 E 4.6195 8.9464 122.9137 56.7581 27.1529 173.4678 12 T 5.0868 8.2518 116.1577 61.6828 71.7162 173.3262 13 V 4.5232 8.5282 126.5423 59.7334 34.3696 174.9660 14 V 4.2162 8.5499 125.7898 61.7978 32.6391 175.1967 15 I 4.1830 7.9230 130.9606 60.5186 37.1116 174.2490 16 R 4.3463 9.0488 128.5790 55.2861 31.1415 174.7257 17 L 5.0784 7.7369 126.3337 53.1145 43.7712 176.1815 18 F 4.8490 8.6908 121.3658 55.9353 42.2030 175.7404 19 G 3.6221 9.0128 113.1788 46.3420 0.0000 172.9495 20 E 3.9382 8.5368 124.8969 54.9946 30.7546 175.6743 21 L 4.6766 8.5033 129.9231 53.3213 43.1685 175.4036 22 D 4.9923 8.3225 126.3539 52.2279 41.4266 177.0846 23 H 4.2337 8.8611 113.9418 58.8520 28.2937 177.2923 24 H 4.0948 7.7280 118.5746 58.7594 28.6362 177.3326 25 A 4.4805 8.7151 124.2969 54.5786 18.1339 179.6334 26 V 3.4843 7.9468 116.9017 66.3685 31.5884 177.9711 27 E 3.9375 8.2336 118.8276 59.2055 29.2968 178.7451 28 Q 4.0433 8.0800 118.2807 58.9857 28.7165 178.8806 29 I 3.5172 7.5778 120.7114 64.1802 37.0497 178.4141 30 R 3.8561 8.2057 119.5402 59.3999 29.9975 178.4017 31 A 3.9677 8.0213 120.4570 55.0186 18.4102 179.5858 32 K 3.8800 7.9017 117.8190 59.8098 32.2800 179.2102 33 I 3.6904 7.9581 120.3735 64.0040 37.0167 178.2136 34 S 3.8122 8.1072 114.1906 61.6432 62.2059 176.3082 35 T 3.8901 7.5941 117.4941 66.7377 68.1836 176.3741 36 A 3.9913 7.8416 122.4576 55.0964 18.2542 179.8116 37 I 3.8343 7.6071 119.6782 64.1331 36.9763 178.6009 38 F 4.5888 7.4234 117.1898 60.8412 38.8358 177.3562 39 Q 4.3058 8.2082 116.2132 56.7938 28.7069 177.2045 40 G 3.9446 7.7182 107.0928 45.2280 0.0000 174.2897 41 A 4.1298 8.2717 124.3683 53.4471 18.6194 178.2235 42 V 4.7546 7.6351 115.7183 61.3828 34.0774 175.2694 43 T 4.7739 9.0454 115.1642 61.3468 70.9804 173.4164 44 T 5.0928 7.7379 119.1196 62.0504 72.8650 172.4840 45 I 4.5393 8.7817 127.4164 59.5558 39.9664 174.7882 46 I 4.5702 8.1939 129.0667 59.4005 38.4897 175.5296 47 W 3.9827 9.1491 129.4933 56.3171 29.8662 175.7707 48 N 4.8342 8.6419 126.2496 52.2448 38.8939 175.3385 49 F 4.7031 9.2854 125.3473 57.6665 39.7614 177.5943 50 E 4.0675 8.4900 122.6945 59.1410 29.5286 178.1608 51 R 4.5947 7.7076 115.0346 55.6435 30.6790 174.6287 52 L 4.5355 7.7300 121.6954 55.2824 42.2479 176.9011 53 S 4.5657 9.1265 122.4954 60.5823 64.1000 173.9199 54 F 5.0507 7.1588 114.0191 55.6478 40.5511 171.9349 55 M 5.2145 8.6105 115.9707 52.0658 34.4064 175.7321 56 D 4.9214 9.2752 115.2192 54.9204 43.4116 180.2582 *58 S 4.3892 9.1082 110.8316 57.4467 64.7349 175.7201 59 G 3.6512 8.2643 108.8307 47.4007 0.0000 176.0817 60 V 3.6233 7.7292 120.4619 66.0201 31.6637 178.0988 61 G 3.6071 8.0383 104.9975 47.5443 0.0000 175.0106 62 L 3.9320 7.7592 122.5967 58.0337 42.1157 179.3855 63 V 2.8176 7.2577 117.4588 65.8722 31.4829 178.0348 64 L 3.9763 7.9898 118.9111 57.5892 41.4063 179.8187 65 G 3.5921 8.5102 106.2360 47.9188 0.0000 176.0927 66 R 4.3256 7.8420 121.3599 58.4784 30.0220 179.0209 67 M 4.0111 8.0097 118.7968 58.4893 31.6910 179.0075 68 R 3.9648 7.6878 117.0173 59.1841 30.1111 178.6036 69 E 4.2069 8.3021 118.4729 59.2765 29.3428 179.4485 70 L 4.0030 8.2804 119.2531 57.9911 41.7616 178.9159 71 E 3.6826 8.6166 119.4045 59.7234 29.1464 178.9339 72 A 4.2010 7.7137 118.5447 53.9470 18.3793 178.4194 73 V 4.2250 8.1486 109.5959 60.3837 32.2841 175.4584 74 A 3.7592 7.6662 120.4779 53.1172 16.3950 178.1159 75 G 4.0492 7.9721 106.3436 47.1158 0.0000 173.8809 76 R 5.0192 9.0815 118.3927 54.5070 33.6056 175.3547 77 T 5.1589 8.8539 118.7574 61.8726 71.5990 173.3067 78 I 4.7731 9.0645 126.9851 59.5945 40.6597 174.6584 79 L 5.0073 9.3653 128.4304 53.6111 42.6468 175.0155 80 L 5.0031 9.2267 127.6230 53.6768 44.2299 176.2743 81 N 4.6180 9.2109 123.5773 52.7460 36.5589 172.6831 82 P 4.6274 0.0000 0.0000 62.5581 32.6212 177.2054 83 S 4.5194 8.3134 115.9708 57.1247 65.5862 173.3749 84 P 4.2400 0.0000 0.0000 66.0490 30.9383 179.0891 85 T 3.7829 7.7583 113.9391 66.9693 68.4792 176.5675 86 M 3.5890 7.5480 119.5565 57.9596 31.7814 178.7726 87 R 3.9382 8.2622 119.4505 59.1566 30.2438 178.5013 88 K 3.9301 8.1294 119.7168 59.5303 32.4058 179.2296 89 V 3.5684 7.5603 119.4257 64.8300 31.2784 178.3809 90 F 4.6358 7.8650 118.4181 60.3758 38.7603 177.7939 91 Q 4.1407 8.6317 118.1820 58.8314 28.2297 178.4357 92 F 4.1755 8.2274 121.1698 60.9055 39.3707 176.0206 93 S 4.5915 7.6383 109.5903 57.6271 62.2383 173.8583 94 G 3.9101 8.1904 107.0931 46.6742 0.0000 174.5085 95 L 4.8856 8.1296 117.5117 54.2126 42.1153 178.7840 96 G 3.9018 8.4981 111.1333 48.5492 0.0000 174.4001 97 P 4.2199 0.0000 0.0000 63.8903 31.4915 176.6611 98 W 4.6563 8.7195 117.6293 56.6826 30.6644 175.4413 99 M 5.1930 8.0421 120.6966 54.5078 32.8890 175.5669 100 M 4.8448 9.4315 119.3172 54.2011 35.3211 173.6617 101 D 5.5666 8.9787 120.4043 52.7072 42.5477 175.2970 102 A 4.4962 8.3016 125.3829 49.8353 22.4676 175.9588 103 T 4.1158 8.5904 109.9842 61.7404 70.5400 175.1237 104 E 3.9429 8.7112 122.7872 59.6174 29.6416 179.0774 105 E 3.9595 8.1414 118.1280 59.3963 29.6605 178.9158 106 E 3.9544 8.4192 118.4683 59.3051 29.2979 179.3405 107 A 3.9817 7.7833 119.5951 55.1939 18.8090 179.4417 108 I 3.7936 7.9693 118.5047 64.7942 37.3673 178.3967 109 D 4.3799 8.4380 120.0242 57.3506 40.3575 178.7719 110 R 3.9325 7.7341 118.2788 59.2128 30.1164 178.0304 111 V 4.1604 7.2303 108.7293 61.1992 31.8564 176.3610 112 R 4.1063 7.6085 123.6790 56.5209 29.9073 176.3513 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 2 A 8.11 4.57 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 3 F 7.97 5.38 0.00 3.14 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 4 Q 10.45 4.68 0.00 2.12 2.07 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 2.24 2.40 0.00 5 L 8.68 4.73 0.00 1.55 1.59 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.76 4.35 0.00 2.07 1.79 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 2.30 2.26 0.00 7 M 8.82 4.74 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.40 0.00 8 V 7.81 3.69 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.92 0.00 0.00 9 T 7.58 4.33 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 1.20 0.00 0.00 10 R 8.53 3.91 0.00 1.79 1.89 0.00 3.44 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 11 E 8.95 4.62 0.00 2.21 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 2.44 2.26 0.00 12 T 8.25 5.09 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 1.17 0.00 0.00 13 V 8.53 4.52 1.97 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 0.60 0.00 0.00 0.82 0.00 0.00 14 V 8.55 4.22 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 0.85 0.00 0.00 0.87 0.00 0.00 15 I 7.92 4.18 1.02 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 -0.15 0.59 0.00 0.00 16 R 9.05 4.35 0.00 1.89 1.96 0.00 3.55 0.00 0.00 3.43 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.48 0.00 17 L 7.74 5.08 0.00 1.53 1.54 0.98 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.69 4.85 0.00 3.05 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 19 G 9.01 3.62 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 0.00 0.00 0.00 20 E 8.54 3.94 0.00 1.16 1.63 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 2.09 1.73 0.00 21 L 8.50 4.68 0.00 1.78 1.52 1.01 1.09 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 22 D 8.32 4.99 0.00 2.88 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 23 H 8.86 4.23 0.00 3.42 3.91 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 7.73 4.09 0.00 3.29 3.38 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 25 A 8.72 4.48 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.95 3.48 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 1.13 0.00 0.00 0.99 0.00 0.00 27 E 8.23 3.94 0.00 2.18 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 0.00 2.35 2.43 0.00 28 Q 8.08 4.04 0.00 2.39 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 2.47 2.64 0.00 29 I 7.58 3.52 1.83 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 -0.18 0.82 0.00 0.00 30 R 8.21 3.86 0.00 1.97 2.06 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 31 A 8.02 3.97 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 32 K 7.90 3.88 0.00 1.93 1.78 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.50 7.81 33 I 7.96 3.69 1.89 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.47 0.79 0.00 0.00 34 S 8.11 3.81 0.00 3.80 3.84 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 35 T 7.59 3.89 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 1.26 0.00 0.00 36 A 7.84 3.99 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 37 I 7.61 3.83 1.61 0.00 0.00 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 1.45 1.75 0.87 0.00 0.00 38 F 7.42 4.59 0.00 3.13 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 39 Q 8.21 4.31 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.75 0.00 0.00 0.00 0.00 0.00 2.44 2.60 0.00 40 G 7.72 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 41 A 8.27 4.13 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 42 V 7.64 4.75 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 0.97 0.00 0.00 0.86 0.00 0.00 43 T 9.05 4.77 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 1.27 0.00 0.00 44 T 7.74 5.09 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 45 I 8.78 4.54 1.86 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 0.99 0.76 -0.19 0.00 0.00 46 I 8.19 4.57 1.77 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 1.23 0.65 0.89 0.00 0.00 47 W 9.15 3.98 0.00 3.30 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 48 N 8.64 4.83 0.00 2.68 2.56 0.00 0.00 6.87 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 49 F 9.29 4.70 0.00 3.49 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 50 E 8.49 4.07 0.00 2.05 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 2.38 2.36 0.00 51 R 7.71 4.59 0.00 1.93 2.01 0.00 3.45 0.00 0.00 3.45 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 52 L 7.73 4.54 0.00 1.76 1.84 1.04 1.10 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 53 S 9.13 4.57 0.00 4.16 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 7.16 5.05 0.00 3.16 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 55 M 8.61 5.21 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 56 D 9.28 4.92 0.00 2.76 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 0.00 0.00 0.00 *58 S 9.11 4.39 0.00 4.07 4.18 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 59 G 8.26 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 60 V 7.73 3.62 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 1.00 0.00 0.00 0.76 0.00 0.00 61 G 8.04 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 62 L 7.76 3.93 0.00 1.79 1.78 1.07 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.26 2.82 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 0.18 0.00 0.00 0.02 0.00 0.00 64 L 7.99 3.98 0.00 1.68 1.63 0.91 0.63 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 65 G 8.51 3.59 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 0.00 0.00 0.00 66 R 7.84 4.33 0.00 2.37 2.20 0.00 3.60 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.71 0.00 67 M 8.01 4.01 0.00 1.81 2.08 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.40 0.00 68 R 7.69 3.96 0.00 1.96 1.99 0.00 3.27 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.79 0.00 69 E 8.30 4.21 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 70 L 8.28 4.00 0.00 1.92 1.74 1.01 0.99 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 71 E 8.62 3.68 0.00 2.12 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 2.34 2.45 0.00 72 A 7.71 4.20 1.45 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 0.00 0.00 0.00 73 V 8.15 4.22 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 0.78 0.00 0.00 1.01 0.00 0.00 74 A 7.67 3.76 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 75 G 7.97 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 0.00 0.00 0.00 76 R 9.08 5.02 0.00 1.75 1.86 0.00 3.09 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 77 T 8.85 5.16 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 1.32 0.00 0.00 78 I 9.06 4.77 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 1.32 0.94 1.00 0.00 0.00 79 L 9.37 5.01 0.00 1.59 1.68 0.25 -0.01 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 80 L 9.23 5.00 0.00 1.83 1.75 1.06 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 81 N 9.21 4.62 0.00 3.04 2.92 0.00 0.00 6.63 7.62 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 82 P 0.00 4.63 0.00 2.23 2.01 0.00 4.02 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 2.06 2.07 0.00 83 S 8.31 4.52 0.00 4.09 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.24 0.00 2.16 2.13 0.00 3.61 0.00 0.00 3.78 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 85 T 7.76 3.78 4.18 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 1.11 0.00 0.00 86 M 7.55 3.59 0.00 1.35 1.89 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 87 R 8.26 3.94 0.00 1.93 2.04 0.00 3.12 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 88 K 8.13 3.93 0.00 1.89 1.93 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.44 7.81 89 V 7.56 3.57 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 0.18 0.00 0.00 0.76 0.00 0.00 90 F 7.87 4.64 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.63 4.14 0.00 2.35 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.78 0.00 0.00 0.00 0.00 0.00 2.53 2.57 0.00 92 F 8.23 4.18 0.00 3.14 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 93 S 7.64 4.59 0.00 4.09 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 94 G 8.19 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 95 L 8.13 4.89 0.00 1.94 1.63 0.75 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 96 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 97 P 0.00 4.22 0.00 0.82 1.66 0.00 4.08 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 1.92 2.00 0.00 98 W 8.72 4.66 0.00 3.42 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 99 M 8.04 5.19 0.00 2.00 2.21 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.52 0.00 100 M 9.43 4.84 0.00 2.02 2.13 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 2.54 2.59 0.00 101 D 8.98 5.57 0.00 2.64 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 0.00 102 A 8.30 4.50 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.59 4.12 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 1.27 0.00 0.00 104 E 8.71 3.94 0.00 2.07 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 2.37 2.40 0.00 105 E 8.14 3.96 0.00 2.10 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 2.40 2.47 0.00 106 E 8.42 3.95 0.00 2.21 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 2.34 2.34 0.00 107 A 7.78 3.98 1.32 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 0.00 108 I 7.97 3.79 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 1.50 0.82 0.90 0.00 0.00 109 D 8.44 4.38 0.00 2.72 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 0.00 110 R 7.73 3.93 0.00 1.90 2.20 0.00 3.29 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 111 V 7.23 4.16 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 0.88 0.00 0.00 1.05 0.00 0.00 112 R 7.61 4.11 0.00 2.06 1.84 0.00 3.19 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 * Residues marked with a * may have inaccurate shift predictions.