NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 L 4.3414 8.0276 120.6287 54.4259 44.1125 178.4859 6 K 3.6488 8.4152 117.7859 59.7918 32.0547 176.1043 7 N 4.6840 8.9325 114.9659 52.8215 39.5258 175.5835 8 I 4.4393 7.7480 120.6881 59.4209 39.4053 175.1930 9 K 4.9337 8.9830 124.9722 54.2368 34.5351 177.4350 10 V 3.6242 8.5910 121.6268 66.1097 31.4440 178.7405 11 K 4.0618 7.6799 117.7774 59.5795 32.4734 177.7766 12 D 4.5788 8.0428 118.2892 55.9332 40.9897 176.7151 13 V 4.3836 7.3818 112.9222 61.0602 32.8993 175.7568 *15 T 4.0734 7.7645 114.8794 63.5185 69.1137 173.7245 16 K 4.2262 7.9219 124.9747 57.5583 33.0296 177.3052 17 N 4.6277 7.7401 122.8932 52.7103 37.9748 175.1502 18 V 3.9973 7.3199 113.7768 60.1138 33.1982 176.4451 19 I 3.9305 8.1025 124.1896 61.5029 37.5928 175.4389 20 T 4.9738 8.2529 113.5218 59.8732 72.2871 172.4253 21 A 5.0205 8.7880 122.7692 50.2057 22.7130 175.3825 22 K 5.0269 8.8929 118.5050 54.3461 34.7996 178.1988 23 R 3.9056 8.6121 118.4946 59.6877 29.4357 178.7655 24 H 4.4010 8.0901 114.9106 58.0399 29.2601 175.6226 25 E 4.2829 7.8914 117.6133 55.0571 30.7644 176.3268 26 G 3.9250 8.4389 109.7280 45.5471 0.0000 175.2285 27 V 3.5863 8.7974 125.4353 64.5057 31.3619 178.9881 28 V 3.6407 7.6675 118.3700 66.0323 31.5016 177.4348 29 E 4.1470 8.3705 117.5003 59.5979 29.0474 179.2546 30 A 4.0118 7.7407 119.2273 55.0945 18.5675 178.9621 31 F 4.3076 8.1854 117.9169 61.7047 39.6704 176.7890 32 E 4.0217 8.4981 118.1054 59.1271 29.1903 179.8958 33 K 4.1890 7.9384 116.6011 57.0183 31.7860 178.3642 *35 L 4.0187 7.8459 118.7685 54.0793 43.4042 179.1279 36 K 3.5956 8.0738 118.3635 58.9049 32.0035 176.8015 37 Y 4.5493 7.7893 113.2741 56.7513 38.3224 175.4073 38 K 3.8504 7.4466 118.0483 57.3791 30.2659 175.5439 39 I 4.2778 7.7917 117.8902 60.8073 38.5267 175.9866 40 S 4.8665 8.5878 117.1868 58.7865 65.4725 173.6501 41 S 5.1531 7.9908 112.6105 56.5227 66.7065 173.9077 42 L 4.6846 9.1176 120.7686 52.1832 44.1332 174.4643 43 P 4.5762 0.0000 0.0000 62.7457 32.8680 175.5463 44 V 4.9683 8.9819 123.4094 61.1620 33.6892 174.5623 45 I 5.6335 8.6715 120.4486 58.1883 41.0042 174.8652 46 D 4.7442 8.2728 122.6489 52.0339 41.3265 176.7186 47 D 4.4416 8.4464 117.7460 56.9390 40.7763 177.2618 48 E 4.1730 8.1956 116.6437 55.9793 29.9750 176.1322 49 N 4.2896 8.2195 117.0217 54.0470 38.3688 173.8412 50 K 4.6957 8.2714 115.7190 54.9236 32.9087 176.2869 51 V 4.3046 8.1520 121.6057 62.7010 31.9170 175.7277 52 I 4.4050 9.2778 127.2121 60.2785 39.1081 175.4643 53 G 4.0454 7.2998 108.5044 46.7648 0.0000 170.8640 54 I 5.1306 7.8801 118.3105 59.7786 41.0787 174.3028 55 V 4.7921 8.6253 120.8791 59.7683 35.3252 174.7052 56 T 5.1631 8.2767 112.2588 59.5447 72.2160 174.9693 57 T 4.1355 8.8402 113.9013 65.3576 68.7518 176.5939 58 T 3.9462 8.1139 118.2436 66.7591 68.5638 175.9880 59 D 4.4126 8.1673 120.1913 57.3968 40.9036 178.7650 60 I 4.0083 8.2056 120.7056 64.5079 37.1721 178.4069 61 G 3.4803 8.5150 106.7908 48.1512 0.0000 174.8367 62 Y 4.1087 7.8603 120.7355 60.4558 39.1447 177.5869 63 N 4.0665 8.0365 116.5442 55.1651 38.6450 177.3564 64 L 3.5783 7.6839 122.1837 58.0422 42.0615 178.7527 65 I 3.7452 7.2710 116.0276 62.7738 37.6497 176.6363 66 R 4.2632 7.2275 117.9565 55.6226 29.8239 176.2365 67 D 4.7770 7.5912 116.1860 55.3525 38.9405 174.5838 68 K 4.2187 7.1377 116.0244 56.7820 32.3193 176.2766 69 Y 5.1595 7.4078 116.2156 56.2750 41.2537 174.4107 70 T 4.7712 7.9915 111.1672 59.2315 71.9145 174.8169 71 L 4.0408 8.4878 122.9829 57.9075 42.2037 177.8997 72 E 4.1694 7.9427 117.4371 58.6755 29.9277 177.7025 73 T 3.9647 7.7354 110.0275 62.1064 69.0069 173.8809 74 T 4.8059 8.1703 115.8001 59.7802 71.1641 174.9170 75 I 3.7586 8.8664 123.2820 64.4898 37.2086 179.1917 76 G 3.7257 8.0161 108.1115 48.6435 0.0000 174.4912 77 D 4.4676 7.9630 118.9859 56.8492 41.1766 177.7233 78 V 4.2027 7.1740 112.3994 59.7258 30.6024 175.0211 *80 T 4.1773 7.4571 116.5718 63.2159 69.9377 174.9641 81 K 4.1394 8.6560 123.8580 58.4744 33.0455 177.5357 82 D 4.8525 7.6833 119.3855 52.9584 40.3191 177.6741 83 V 3.6691 7.4534 118.2900 61.6335 32.0051 176.4816 84 I 4.0617 8.3212 126.9408 61.4524 37.4030 175.5617 85 T 4.9226 8.4597 115.8143 59.9517 72.3517 172.6378 86 I 4.6984 8.4295 121.2737 59.3431 42.0527 173.8235 87 H 5.0050 8.7262 127.0769 55.4239 30.7654 175.8500 88 E 3.9430 8.7052 122.9967 59.5040 29.3793 178.4409 89 D 4.5947 8.0957 115.9949 54.5953 41.6101 176.4287 90 A 4.1819 7.8317 123.1423 52.0713 19.2058 177.1802 91 S 4.9286 8.4550 114.7531 57.4946 65.7711 175.4382 92 I 3.6458 7.9512 123.8587 64.6833 36.8649 178.3592 93 L 3.9421 7.9803 120.4117 58.2727 41.8160 178.5046 94 E 3.9259 8.0226 117.7059 59.5145 29.2400 179.1822 95 A 3.9951 7.5979 118.9783 55.2919 18.5202 179.2008 96 I 3.8040 7.8432 117.2450 64.7822 37.3179 178.5135 97 K 4.1783 7.9753 117.6818 58.9794 31.7756 179.5079 98 K 4.2280 8.1064 119.7811 56.4499 32.1488 176.9705 *100 D 4.2559 7.9818 114.3469 53.2433 42.3665 174.5605 101 I 4.3898 7.4638 111.6711 58.7407 38.5610 174.2633 102 S 4.7867 8.1755 124.8058 57.1061 64.4557 171.4249 *108 I 3.9829 7.9559 112.0212 61.2092 38.4176 173.8650 109 I 4.3760 8.1345 120.1571 60.6190 38.4901 175.3365 110 N 4.9409 8.6123 121.2775 54.4806 40.1439 174.8205 111 Q 5.0173 7.9014 116.5978 54.4062 33.1376 173.8663 112 L 4.7884 8.9055 123.9320 52.0435 44.6922 174.3332 113 P 4.6911 0.0000 0.0000 62.9346 32.6786 175.1553 114 V 4.8863 9.1258 124.5797 61.4600 33.6228 174.9821 115 V 5.0059 8.7975 120.3457 59.7611 36.1247 175.0929 116 D 5.0031 8.4451 122.2658 52.3890 41.9918 177.2552 117 K 4.1746 8.3121 116.9573 59.8273 32.4620 177.3377 118 N 4.8408 8.4750 114.6136 52.6426 38.5052 174.9288 119 N 4.2022 8.3848 113.6908 54.0450 37.1608 173.8851 120 K 4.4696 7.5902 116.8327 55.2049 32.9299 176.5733 121 L 4.4774 8.2306 125.8450 55.8160 42.3334 177.0912 122 V 4.3305 8.8261 117.3374 60.2411 33.9665 175.3259 123 G 4.0280 6.9300 104.2399 46.4807 0.0000 171.3679 124 I 5.1603 8.1766 119.3469 59.4916 40.8518 175.1401 125 I 4.8037 8.9105 126.9910 59.2351 40.7641 174.3456 126 S 4.7974 8.6115 122.5650 57.5488 66.2960 175.8427 127 D 3.8014 9.1734 115.5739 55.0803 42.2150 179.0526 128 G 3.6966 8.1470 104.3951 48.3402 0.0000 174.6659 129 D 4.3852 8.0827 121.5332 57.2359 40.7997 179.2407 130 I 3.7278 7.6662 119.7392 64.3264 37.0611 178.4956 131 I 3.6678 7.7552 120.6440 64.5473 36.7708 178.2782 132 R 3.8666 8.3786 118.3075 59.7691 30.0346 178.3862 133 T 4.1057 7.8657 115.2552 66.6412 68.2399 177.0807 134 I 3.7353 8.0846 121.9957 64.3542 36.7823 178.4164 135 S 3.9389 8.0695 113.5512 61.3547 62.2964 175.9207 136 K 4.0473 7.8249 120.0513 59.4152 31.8407 176.9904 137 I 3.9488 7.1907 123.1552 61.5303 37.0601 175.6007 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 5 L 8.03 4.34 0.00 1.73 1.79 0.92 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.42 3.65 0.00 1.94 1.97 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.52 7.81 7 N 8.93 4.68 0.00 2.74 2.88 0.00 0.00 6.72 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 8 I 7.75 4.44 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 1.30 1.14 0.91 0.00 0.00 9 K 8.98 4.93 0.00 1.78 1.79 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.35 7.81 10 V 8.59 3.62 2.21 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 0.97 0.00 0.00 0.94 0.00 0.00 11 K 7.68 4.06 0.00 1.84 1.92 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.59 1.41 7.81 12 D 8.04 4.58 0.00 2.77 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 13 V 7.38 4.38 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 1.00 0.00 0.00 *15 T 7.76 4.07 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 16 K 7.92 4.23 0.00 1.71 1.66 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.46 7.81 17 N 7.74 4.63 0.00 2.64 2.72 0.00 0.00 6.96 7.71 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 18 V 7.32 4.00 2.07 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 0.79 0.00 0.00 0.92 0.00 0.00 19 I 8.10 3.93 1.84 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.40 0.87 0.00 0.00 20 T 8.25 4.97 4.33 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 1.25 0.00 0.00 21 A 8.79 5.02 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 22 K 8.89 5.03 0.00 1.67 1.68 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.49 7.81 23 R 8.61 3.91 0.00 1.97 2.18 0.00 2.90 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 24 H 8.09 4.40 0.00 3.13 3.37 0.00 5.71 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.89 4.28 0.00 2.12 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 2.53 2.26 0.00 26 G 8.44 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 0.00 0.00 0.00 27 V 8.80 3.59 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 0.21 0.00 0.00 0.67 0.00 0.00 28 V 7.67 3.64 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 1.15 0.00 0.00 1.03 0.00 0.00 29 E 8.37 4.15 0.00 2.07 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 2.43 2.42 0.00 30 A 7.74 4.01 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 31 F 8.19 4.31 0.00 3.04 3.37 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 32 E 8.50 4.02 0.00 2.24 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 0.00 2.40 2.64 0.00 33 K 7.94 4.19 0.00 1.99 1.97 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.79 7.81 *35 L 7.85 4.02 0.00 1.66 1.52 0.72 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.07 3.60 0.00 1.41 1.68 0.00 1.49 0.00 0.00 1.48 0.00 0.00 2.85 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.30 0.77 7.81 37 Y 7.79 4.55 0.00 3.06 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 38 K 7.45 3.85 0.00 1.91 1.89 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.36 7.81 39 I 7.79 4.28 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 1.51 0.59 0.97 0.00 0.00 40 S 8.59 4.87 0.00 3.89 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 0.00 41 S 7.99 5.15 0.00 3.99 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 42 L 9.12 4.68 0.00 1.55 1.62 0.95 1.16 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 43 P 0.00 4.58 0.00 2.07 1.97 0.00 3.74 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 2.11 2.09 0.00 44 V 8.98 4.97 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 1.08 0.00 0.00 0.98 0.00 0.00 45 I 8.67 5.63 1.90 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 0.90 1.38 0.92 0.00 0.00 46 D 8.27 4.74 0.00 2.90 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.45 4.44 0.00 2.68 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 48 E 8.20 4.17 0.00 2.10 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 0.00 2.28 2.23 0.00 49 N 8.22 4.29 0.00 2.98 2.87 0.00 0.00 7.18 6.33 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 50 K 8.27 4.70 0.00 2.20 1.70 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.60 1.33 7.81 51 V 8.15 4.30 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 0.80 0.00 0.00 0.93 0.00 0.00 52 I 9.28 4.40 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 1.16 0.77 0.91 0.00 0.00 53 G 7.30 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 54 I 7.88 5.13 1.88 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 1.36 0.89 0.92 0.00 0.00 55 V 8.63 4.79 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 0.73 0.00 0.00 1.02 0.00 0.00 56 T 8.28 5.16 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 1.29 0.00 0.00 57 T 8.84 4.14 4.36 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 1.28 0.00 0.00 58 T 8.11 3.95 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 1.22 0.00 0.00 59 D 8.17 4.41 0.00 2.78 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 60 I 8.21 4.01 2.11 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 1.78 1.03 0.96 0.00 0.00 61 G 8.51 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 7.86 4.11 0.00 2.98 3.21 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 63 N 8.04 4.07 0.00 2.35 2.10 0.00 0.00 6.66 7.00 0.00 0.00 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 L 7.68 3.58 0.00 1.69 1.46 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.27 3.75 1.78 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 1.46 0.87 0.84 0.00 0.00 66 R 7.23 4.26 0.00 1.67 1.64 0.00 2.53 0.00 0.00 2.60 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.33 0.00 67 D 7.59 4.78 0.00 2.72 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 68 K 7.14 4.22 0.00 1.31 1.64 0.00 1.43 0.00 0.00 1.51 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.23 7.81 69 Y 7.41 5.16 0.00 2.87 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.99 4.77 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 1.24 0.00 0.00 71 L 8.49 4.04 0.00 1.62 1.76 0.94 0.94 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 72 E 7.94 4.17 0.00 2.02 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 2.34 2.39 0.00 73 T 7.74 3.96 4.15 0.00 0.00 0.00 0.00 0.00 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 74 T 8.17 4.81 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 1.29 0.00 0.00 75 I 8.87 3.76 1.99 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 1.45 1.07 0.90 0.00 0.00 76 G 8.02 3.73 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 0.00 0.00 0.00 77 D 7.96 4.47 0.00 2.77 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 78 V 7.17 4.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.80 0.00 0.00 *80 T 7.46 4.18 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 81 K 8.66 4.14 0.00 1.75 1.87 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.46 7.81 82 D 7.68 4.85 0.00 2.65 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 83 V 7.45 3.67 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 0.75 0.00 0.00 0.94 0.00 0.00 84 I 8.32 4.06 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 1.40 0.81 0.91 0.00 0.00 85 T 8.46 4.92 4.38 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 1.28 0.00 0.00 86 I 8.43 4.70 1.88 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 1.13 1.74 0.91 0.00 0.00 87 H 8.73 5.01 0.00 3.26 3.13 0.00 5.74 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.71 3.94 0.00 2.13 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 0.00 2.04 2.18 0.00 89 D 8.10 4.59 0.00 2.87 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 90 A 7.83 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 91 S 8.46 4.93 0.00 4.06 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 92 I 7.95 3.65 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 1.58 0.88 0.91 0.00 0.00 93 L 7.98 3.94 0.00 1.75 1.68 0.92 0.97 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 94 E 8.02 3.93 0.00 2.31 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 2.34 2.35 0.00 95 A 7.60 4.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 I 7.84 3.80 2.04 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 1.52 0.69 0.91 0.00 0.00 97 K 7.98 4.18 0.00 1.83 1.87 0.00 1.72 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.67 7.81 98 K 8.11 4.23 0.00 2.01 1.76 0.00 1.55 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.49 7.81 *100 D 7.98 4.26 0.00 2.79 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 I 7.46 4.39 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 1.61 0.75 0.91 0.00 0.00 102 S 8.18 4.79 0.00 3.94 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *108 I 7.96 3.98 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 0.60 0.91 0.00 0.00 109 I 8.13 4.38 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 1.49 0.88 0.94 0.00 0.00 110 N 8.61 4.94 0.00 2.65 2.85 0.00 0.00 6.91 7.96 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 0.00 111 Q 7.90 5.02 0.00 1.87 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 112 L 8.91 4.79 0.00 1.55 1.55 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.69 0.00 2.07 1.97 0.00 3.78 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 2.11 2.09 0.00 114 V 9.13 4.89 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 1.06 0.00 0.00 0.99 0.00 0.00 115 V 8.80 5.01 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 0.69 0.00 0.00 0.93 0.00 0.00 116 D 8.45 5.00 0.00 2.85 2.78 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 0.00 117 K 8.31 4.17 0.00 1.79 1.94 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.49 1.57 7.81 118 N 8.48 4.84 0.00 2.76 2.78 0.00 0.00 7.11 6.92 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 0.00 119 N 8.38 4.20 0.00 2.96 2.87 0.00 0.00 7.05 7.67 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 0.00 120 K 7.59 4.47 0.00 2.01 1.71 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.51 7.81 121 L 8.23 4.48 0.00 1.59 1.58 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 122 V 8.83 4.33 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 0.79 0.00 0.00 0.95 0.00 0.00 123 G 6.93 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 0.00 124 I 8.18 5.16 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 1.11 0.70 0.91 0.00 0.00 125 I 8.91 4.80 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 1.28 1.66 0.91 0.00 0.00 126 S 8.61 4.80 0.00 3.87 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 0.00 127 D 9.17 3.80 0.00 2.85 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 0.00 128 G 8.15 3.70 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 0.00 0.00 0.00 129 D 8.08 4.39 0.00 2.84 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 0.00 130 I 7.67 3.73 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.81 0.91 0.00 0.00 131 I 7.76 3.67 1.99 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 1.64 0.85 0.91 0.00 0.00 132 R 8.38 3.87 0.00 1.80 2.22 0.00 3.25 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 133 T 7.87 4.11 4.38 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 1.21 0.00 0.00 134 I 8.08 3.74 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 0.00 135 S 8.07 3.94 0.00 4.01 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 0.00 136 K 7.82 4.05 0.00 1.97 1.87 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.68 7.81 137 I 7.19 3.95 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 1.16 0.47 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.