NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4671 8.2893 120.3509 55.4010 33.4170 174.6656 1 V 4.3565 8.1326 124.1866 59.5635 34.3260 172.8407 2 L 4.7286 8.2531 123.8882 52.6013 44.9267 178.2604 3 S 4.5018 8.9445 118.0390 57.7906 65.2847 175.1347 4 E 4.2563 8.8673 122.6949 59.5088 29.4508 179.1318 5 G 3.6599 8.1056 105.3112 47.8735 0.0000 175.3950 6 E 3.9650 8.1652 121.0590 58.9427 29.3572 179.4747 7 W 4.3353 8.3121 119.0698 59.9542 29.0051 178.6283 8 Q 4.1354 8.4599 118.0832 58.7713 28.1679 178.6885 9 L 4.0566 7.8581 119.9739 57.5951 41.6378 179.6681 10 V 3.7712 7.8714 118.0686 66.2538 31.6196 178.2475 11 L 4.2699 8.4970 118.9015 57.7696 41.1743 179.0412 12 H 4.2000 8.4661 118.4210 59.2337 30.2875 177.4464 13 V 3.7913 7.9612 120.5669 64.3827 31.3272 178.1847 14 W 3.7876 8.4543 128.8191 59.9156 30.2582 177.8026 15 A 3.9965 7.8582 120.3287 54.9349 18.0138 179.4391 16 K 3.9433 7.6821 116.8004 59.3531 32.1005 179.6659 17 V 2.7348 7.0575 118.0468 65.6923 31.0835 177.5626 18 E 3.9599 7.7279 116.2949 58.2907 29.3095 178.4456 19 A 4.2171 7.5377 120.2105 53.5622 20.0394 177.5878 20 D 4.6648 7.8730 116.4016 52.1742 42.7900 175.5445 21 V 3.4444 7.8657 123.6894 65.8452 32.0581 176.6973 22 A 4.0403 8.0034 120.0566 55.0903 18.2799 179.7004 23 G 3.6697 8.2115 105.4473 47.8586 0.0000 175.7001 24 H 4.1627 8.3751 119.2517 58.3000 28.6527 178.1934 25 G 3.5596 8.3503 107.8682 47.8222 0.0000 175.8398 26 Q 3.9486 8.2158 120.6012 58.8049 28.7767 178.5497 27 D 4.2971 8.0980 119.8492 57.3694 40.7845 179.0459 28 I 3.6888 7.9402 120.4287 64.4122 37.1572 178.5832 29 L 3.5090 7.8706 119.8087 57.5530 41.3515 179.6256 30 I 3.7913 7.8653 120.0318 64.2683 37.0196 178.4183 31 R 3.8056 7.9457 119.5359 59.1969 29.8430 178.2660 32 L 3.8898 7.8194 120.0780 58.3910 41.9851 179.0999 33 F 4.5706 8.1587 118.0036 60.5047 38.5701 177.8908 34 K 4.0826 8.1527 117.6305 59.3066 31.9718 179.2867 35 S 4.3051 8.0049 114.8356 60.3236 64.2049 174.4563 36 H 4.6507 8.1492 118.6148 51.7184 29.5561 171.6084 37 P 4.6140 0.0000 0.0000 64.7085 31.2783 177.4249 38 E 4.3717 8.5019 117.3367 58.9784 29.5043 179.1879 39 T 3.7064 8.0475 110.9187 64.4130 68.8169 176.3184 40 L 3.6692 8.0244 122.9230 57.5637 41.5955 178.4901 41 E 4.0323 7.9852 118.1881 58.4411 29.1212 178.3738 42 K 4.3039 7.6491 116.5605 56.3105 33.1675 177.0335 43 F 4.4706 7.4607 119.3360 55.0538 38.7915 175.6431 44 D 4.3989 8.2920 125.5615 56.6313 40.9651 178.4426 45 R 4.2737 7.8328 117.3247 58.3944 30.6649 177.5311 46 F 5.0089 7.6335 112.1744 56.5062 38.4696 176.1542 47 K 3.9506 8.0189 120.6243 59.7156 32.4825 176.8664 48 H 4.6521 7.8926 115.5300 55.8124 29.2351 175.3621 49 L 4.2386 7.5717 120.2249 54.9362 42.0271 175.7617 50 K 4.4293 9.0400 120.6504 57.8281 34.5356 177.8696 51 T 4.2435 7.8086 108.9811 61.1823 71.0877 174.9562 52 E 3.9483 8.7192 122.2624 59.1811 29.8039 179.0491 53 A 3.9711 7.9301 120.5904 55.2288 18.4175 179.2819 54 E 3.9397 8.2415 117.0505 59.8611 29.3043 179.5458 55 M 4.0827 7.9788 117.7066 58.3844 32.0933 178.7661 56 K 4.0835 8.4053 117.8565 58.6629 32.3070 178.4238 57 A 4.3963 7.5007 118.6465 51.5745 19.5196 177.1920 58 S 4.1714 7.3501 114.0555 57.8371 63.0323 174.8333 59 E 3.9892 8.7900 127.7939 59.4061 29.3377 178.9064 60 D 4.3033 7.8931 118.5867 57.1388 40.9352 178.4268 61 L 2.8464 7.3088 120.7220 57.5398 42.0191 178.8265 62 K 3.8133 7.6584 119.3175 59.5187 32.1271 178.8575 63 K 3.9637 8.2525 119.0248 59.7581 31.8697 178.8714 64 H 4.3653 8.3461 118.7469 59.0235 29.7383 177.5326 65 G 3.5845 8.2285 107.7899 47.8157 0.0000 175.8641 66 V 3.6189 7.7887 120.7512 65.9047 31.5104 178.2617 67 T 3.8636 7.8973 115.5460 66.5298 68.2501 176.7324 68 V 3.6003 8.0175 120.3365 66.2322 31.5705 178.1834 69 L 4.3737 8.1656 118.6693 58.0087 41.5172 179.7902 70 T 4.0743 8.3454 116.2211 66.6087 68.4713 177.0693 71 G 3.5901 8.2800 107.7450 47.7051 0.0000 175.5767 72 L 3.8000 8.4243 123.4835 57.5577 42.0348 179.2263 73 G 3.1630 8.3873 105.8246 47.5633 0.0000 175.5195 74 A 3.9730 7.6098 121.8721 54.7986 18.6613 179.5500 75 I 3.7558 7.4403 118.1625 64.5950 37.1619 178.6582 76 L 3.9883 7.8724 120.1132 57.7367 41.1808 179.7086 77 K 3.9251 7.6908 116.9924 58.5398 32.2584 178.7083 78 K 3.9476 7.7954 118.0014 55.9566 32.7293 176.5191 79 K 2.0000 8.3004 118.7155 56.3009 29.8457 174.5675 80 G 3.9682 7.7103 105.5689 45.7929 0.0000 173.6303 81 H 4.5045 7.4098 121.3161 55.3812 28.3683 174.9015 82 H 5.6757 7.2546 114.7812 54.7451 29.6828 175.6961 83 E 3.8867 8.2724 123.9717 60.3074 29.0971 178.5615 84 A 4.0364 7.9351 118.6060 55.0207 18.5985 178.7599 85 E 4.1881 7.9679 116.4917 59.0492 29.8425 178.8698 86 L 4.2015 8.1863 119.1228 57.0779 41.5333 179.1301 87 K 3.9061 8.0251 120.2088 59.1933 32.1975 177.0742 88 P 4.3118 0.0000 0.0000 65.7268 31.2897 178.0299 89 L 3.9849 7.7519 118.6090 57.8681 41.9798 178.7794 90 A 4.2776 8.5189 121.2757 55.0623 17.9656 179.3134 91 Q 3.9110 7.8750 117.9087 59.7192 28.9548 178.9677 92 S 4.3655 7.9323 114.5890 61.4448 63.0872 175.6650 93 H 4.7100 8.5724 117.9175 56.3351 28.6323 176.3884 94 A 4.0903 8.0751 122.2010 51.6015 19.1528 176.0614 95 T 4.3496 7.0567 107.3070 62.0373 69.2575 174.0525 *98 K 3.6472 8.1292 120.6653 57.3750 33.1870 175.8405 99 I 4.2945 8.2767 127.9985 58.6787 37.7791 174.1972 100 P 4.5903 0.0000 0.0000 62.4533 32.2802 177.5375 101 I 3.6662 8.8278 122.5211 64.5788 36.9445 178.5931 102 K 3.7851 7.9020 119.8483 59.7992 31.8592 178.2834 103 Y 4.2513 7.8777 116.9560 60.9495 37.8042 178.1849 104 L 4.1977 7.9205 119.6138 57.7557 41.7505 179.2631 105 E 4.0423 8.2166 118.7457 59.3229 29.3855 179.2442 106 F 4.7064 7.8779 117.8632 60.9262 38.9509 177.6537 107 I 3.9128 8.3237 118.1679 63.9178 37.7640 178.1116 108 S 4.2347 8.2903 116.4448 61.5934 62.6325 176.3802 109 E 4.0837 8.5776 121.1296 59.4208 29.1866 179.3048 110 A 4.0509 8.1059 120.8586 55.0806 18.4122 179.7691 111 I 3.7038 8.1471 118.5575 64.6600 37.2568 178.7133 112 I 3.9340 7.9519 120.6014 64.6699 36.9727 177.9615 113 H 4.1504 8.5045 119.1091 59.4063 29.6588 177.5420 114 V 3.6285 8.0847 120.0934 65.9118 31.3099 177.9737 115 L 3.7660 7.9860 118.8734 57.9161 41.0703 179.0186 116 H 4.4891 8.1591 117.3683 59.3026 29.9114 176.9899 117 S 4.1166 7.9889 114.1604 61.2040 62.3342 175.7867 118 R 4.1362 7.9320 119.1073 57.2448 31.0448 176.2064 119 H 5.0532 8.2403 116.3336 54.1838 28.8474 173.3981 120 P 4.3611 0.0000 0.0000 65.6084 31.7193 179.0734 121 G 3.8392 8.2118 107.4104 47.4378 0.0000 173.6153 122 D 4.8678 7.5763 113.7862 52.8811 41.4222 177.1030 123 F 4.7872 8.5443 123.9848 58.7674 37.1997 175.7678 124 G 4.0293 7.8243 110.0174 43.4121 0.0000 170.2943 125 A 3.8972 8.4207 120.6521 55.3034 18.4339 179.8376 126 D 4.1663 7.9118 116.5205 57.5359 40.9765 178.7733 127 A 3.9659 7.6933 120.6878 55.1754 18.3787 179.5335 128 Q 3.5668 7.8723 117.1261 58.7395 28.7051 179.2366 129 G 3.5001 8.1809 106.7674 47.6625 0.0000 175.6694 130 A 3.8503 7.9753 123.3611 55.0251 18.3185 179.4379 131 M 4.0151 8.4548 117.1760 58.8386 32.3361 178.1653 132 N 4.3716 8.5882 117.1234 56.2098 38.6011 177.5736 133 K 3.9110 8.1060 119.6340 59.3482 32.1720 179.2274 134 A 3.9070 7.9828 121.1555 55.2780 18.2098 179.7420 135 L 4.1798 8.3175 117.6350 57.6025 41.5957 179.3508 136 E 3.9407 8.3225 119.6972 59.0720 29.5080 178.5395 137 L 3.9596 8.2969 120.7759 58.0351 42.1347 178.5780 138 F 4.1800 8.3974 120.5386 61.6109 39.3563 177.3647 139 R 3.3561 8.2378 117.7471 58.7405 29.6644 179.0087 140 K 3.7909 8.1398 119.5721 59.7320 32.2980 178.7269 141 D 4.2905 8.2488 119.4499 57.2425 40.6436 178.6027 142 I 3.5202 7.5912 119.0043 63.5165 37.8145 177.7777 143 A 3.3883 7.5692 121.7331 54.6852 18.2038 179.4335 144 A 3.9008 7.5069 119.4677 55.2787 18.2277 180.0542 145 K 3.9946 7.5291 115.5264 59.5932 32.3670 178.8142 146 Y 4.5909 8.2893 117.4950 61.4302 37.8092 179.0661 147 K 4.2193 8.2239 120.4544 58.9998 31.8856 179.2723 148 E 4.0113 7.9889 117.7314 58.6292 29.3871 178.2590 149 L 4.5365 7.7417 116.9277 54.1753 42.0363 177.4259 150 G 3.9128 8.2838 107.7218 45.3828 0.0000 172.6108 151 Y 4.7851 7.6396 121.0467 55.7744 40.1408 176.2505 152 Q 3.9193 8.4723 125.8596 56.1417 29.6829 176.2006 153 G 3.5788 5.6105 111.8239 45.6327 0.0000 173.3870 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 M 8.29 4.47 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.76 0.00 1 V 8.13 4.36 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 0.98 0.00 0.00 2 L 8.25 4.73 0.00 0.71 0.82 0.51 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.94 4.50 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 4 E 8.87 4.26 0.00 2.19 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 2.43 2.51 0.00 5 G 8.11 3.66 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 6 E 8.17 3.96 0.00 2.03 1.76 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 2.24 2.28 0.00 7 W 8.31 4.34 0.00 3.59 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 8 Q 8.46 4.14 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.76 2.61 0.00 9 L 7.86 4.06 0.00 1.93 1.77 0.89 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.87 3.77 2.50 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 1.20 0.00 0.00 0.95 0.00 0.00 11 L 8.50 4.27 0.00 1.84 1.81 0.96 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.47 4.20 0.00 3.32 3.57 0.00 5.75 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.96 3.79 2.30 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 0.98 0.00 0.00 0.73 0.00 0.00 14 W 8.45 3.79 0.00 3.71 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 15 A 7.86 4.00 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 16 K 7.68 3.94 0.00 1.65 1.56 0.00 1.57 0.00 0.00 1.45 0.00 0.00 2.88 0.00 0.00 3.41 0.00 0.00 0.00 0.00 1.34 1.44 7.81 17 V 7.06 2.73 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 0.00 0.00 0.03 0.00 0.00 0.08 0.00 0.00 18 E 7.73 3.96 0.00 2.07 1.95 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 2.35 2.37 0.00 19 A 7.54 4.22 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 20 D 7.87 4.66 0.00 2.71 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 21 V 7.87 3.44 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 1.07 0.00 0.00 0.91 0.00 0.00 22 A 8.00 4.04 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 23 G 8.21 3.67 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 0.00 0.00 0.00 24 H 8.38 4.16 0.00 3.01 3.20 0.00 5.63 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 G 8.35 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 26 Q 8.22 3.95 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.54 0.00 27 D 8.10 4.30 0.00 2.80 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 28 I 7.94 3.69 1.90 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 1.53 0.64 0.91 0.00 0.00 29 L 7.87 3.51 0.00 1.53 1.22 0.97 0.67 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 30 I 7.87 3.79 1.89 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 0.76 0.92 0.00 0.00 31 R 7.95 3.81 0.00 1.95 2.09 0.00 3.03 0.00 0.00 2.91 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 32 L 7.82 3.89 0.00 1.74 1.45 1.04 0.86 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 33 F 8.16 4.57 0.00 3.09 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 34 K 8.15 4.08 0.00 1.78 1.85 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.63 7.81 35 S 8.00 4.31 0.00 3.73 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.15 4.65 0.00 2.81 2.84 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.61 0.00 2.15 2.13 0.00 3.84 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 2.10 2.14 0.00 38 E 8.50 4.37 0.00 2.29 2.30 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 2.33 2.47 0.00 39 T 8.05 3.71 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 0.62 0.00 0.00 40 L 8.02 3.67 0.00 1.43 1.74 0.14 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.99 4.03 0.00 2.20 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 2.29 2.33 0.00 42 K 7.65 4.30 0.00 1.41 1.40 0.00 1.57 0.00 0.00 1.65 0.00 0.00 3.15 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.58 1.77 7.81 43 F 7.46 4.47 0.00 2.03 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 44 D 8.29 4.40 0.00 2.62 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 45 R 7.83 4.27 0.00 2.02 2.36 0.00 3.34 0.00 0.00 3.54 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 46 F 7.63 5.01 0.00 3.17 3.12 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 0.00 0.00 0.00 47 K 8.02 3.95 0.00 1.70 2.02 0.00 1.42 0.00 0.00 1.66 0.00 0.00 2.70 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.22 1.10 7.81 48 H 7.89 4.65 0.00 3.19 3.37 0.00 5.70 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.57 4.24 0.00 1.69 1.64 0.96 0.97 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 50 K 9.04 4.43 0.00 1.83 1.79 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.56 7.81 51 T 7.81 4.24 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 1.22 0.00 0.00 52 E 8.72 3.95 0.00 2.06 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 2.37 2.38 0.00 53 A 7.93 3.97 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 54 E 8.24 3.94 0.00 2.20 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 0.00 2.33 2.36 0.00 55 M 7.98 4.08 0.00 2.05 2.29 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.67 0.00 56 K 8.41 4.08 0.00 1.88 1.85 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.58 7.81 57 A 7.50 4.40 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 58 S 7.35 4.17 0.00 3.75 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 59 E 8.79 3.99 0.00 1.99 1.95 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 2.37 2.32 0.00 60 D 7.89 4.30 0.00 2.63 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 61 L 7.31 2.85 0.00 0.84 1.29 1.02 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.66 3.81 0.00 1.91 1.86 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.43 7.81 63 K 8.25 3.96 0.00 1.97 1.87 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.58 7.81 64 H 8.35 4.37 0.00 3.44 3.39 0.00 5.79 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 65 G 8.23 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.79 3.62 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 1.10 0.00 0.00 0.93 0.00 0.00 67 T 7.90 3.86 4.39 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 1.26 0.00 0.00 68 V 8.02 3.60 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 1.18 0.00 0.00 0.96 0.00 0.00 69 L 8.17 4.37 0.00 1.80 1.85 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.35 4.07 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 1.25 0.00 0.00 71 G 8.28 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 72 L 8.42 3.80 0.00 1.65 1.63 0.28 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.39 3.16 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 0.00 0.00 0.00 74 A 7.61 3.97 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 I 7.44 3.76 1.82 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 1.52 0.70 0.91 0.00 0.00 76 L 7.87 3.99 0.00 1.35 1.60 -0.11 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.69 3.93 0.00 1.78 1.80 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.55 7.81 78 K 7.80 3.95 0.00 1.82 1.80 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.64 1.78 7.81 79 K 8.30 2.00 0.00 1.08 0.74 0.00 1.34 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.47 1.00 7.81 80 G 7.71 3.97 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 0.00 0.00 0.00 81 H 7.41 4.50 0.00 2.99 3.16 0.00 5.91 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.25 5.68 0.00 3.36 3.43 0.00 5.72 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.27 3.89 0.00 1.97 1.94 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 2.38 2.32 0.00 84 A 7.94 4.04 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 85 E 7.97 4.19 0.00 2.22 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 2.36 2.45 0.00 86 L 8.19 4.20 0.00 1.69 1.68 0.79 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.03 3.91 0.00 2.15 1.82 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.48 7.81 88 P 0.00 4.31 0.00 2.33 2.31 0.00 3.75 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 2.29 2.04 0.00 89 L 7.75 3.98 0.00 1.89 1.91 0.86 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.52 4.28 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 91 Q 7.87 3.91 0.00 2.17 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 92 S 7.93 4.37 0.00 4.10 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 93 H 8.57 4.71 0.00 3.52 3.45 0.00 5.58 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 94 A 8.08 4.09 1.04 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 95 T 7.06 4.35 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 1.20 0.00 0.00 *98 K 8.13 3.65 0.00 1.41 1.22 0.00 0.61 0.00 0.00 0.96 0.00 0.00 2.39 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.98 1.00 7.81 99 I 8.28 4.29 1.74 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.60 0.98 0.00 0.00 100 P 0.00 4.59 0.00 1.89 2.02 0.00 3.07 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.16 0.00 101 I 8.83 3.67 1.78 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.70 0.81 0.00 0.00 102 K 7.90 3.79 0.00 1.66 1.63 0.00 1.88 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.67 1.15 7.81 103 Y 7.88 4.25 0.00 3.23 3.07 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 0.00 104 L 7.92 4.20 0.00 1.87 1.84 0.74 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.22 4.04 0.00 2.00 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 2.31 2.52 0.00 106 F 7.88 4.71 0.00 3.25 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 0.00 107 I 8.32 3.91 2.03 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 1.62 1.65 1.14 0.00 0.00 108 S 8.29 4.23 0.00 4.20 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 0.00 109 E 8.58 4.08 0.00 2.38 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 2.44 2.44 0.00 110 A 8.11 4.05 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 0.00 111 I 8.15 3.70 2.16 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 1.64 0.93 1.10 0.00 0.00 112 I 7.95 3.93 2.15 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.33 1.13 0.00 0.00 113 H 8.50 4.15 0.00 3.33 3.49 0.00 5.59 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 0.00 114 V 8.08 3.63 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 0.98 0.00 0.00 0.99 0.00 0.00 115 L 7.99 3.77 0.00 1.14 0.34 0.73 0.56 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 0.00 116 H 8.16 4.49 0.00 3.46 3.59 0.00 5.95 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.99 4.12 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 0.00 118 R 7.93 4.14 0.00 1.55 1.58 0.00 3.14 0.00 0.00 2.89 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.62 0.00 119 H 8.24 5.05 0.00 3.22 3.40 0.00 5.62 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.36 0.00 2.18 2.28 0.00 3.73 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.91 0.00 121 G 8.21 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 0.00 0.00 0.00 122 D 7.58 4.87 0.00 2.82 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 0.00 123 F 8.54 4.79 0.00 3.03 3.19 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 0.00 124 G 7.82 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 0.00 125 A 8.42 3.90 1.26 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 0.00 0.00 0.00 126 D 7.91 4.17 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 0.00 127 A 7.69 3.97 1.26 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 0.00 0.00 0.00 128 Q 7.87 3.57 0.00 1.81 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 129 G 8.18 3.50 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 0.00 0.00 0.00 0.00 130 A 7.98 3.85 1.28 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 0.00 0.00 0.00 131 M 8.45 4.02 0.00 2.38 2.45 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.92 0.00 132 N 8.59 4.37 0.00 2.98 2.86 0.00 0.00 7.03 7.19 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 0.00 133 K 8.11 3.91 0.00 1.79 1.70 0.00 1.52 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.59 7.81 134 A 7.98 3.91 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 0.00 135 L 8.32 4.18 0.00 1.78 1.86 1.02 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.32 3.94 0.00 2.18 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 2.30 2.31 0.00 137 L 8.30 3.96 0.00 1.93 2.00 1.06 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.40 4.18 0.00 3.16 3.24 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 0.00 139 R 8.24 3.36 0.00 1.94 1.81 0.00 3.17 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.02 0.00 140 K 8.14 3.79 0.00 1.82 1.93 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.43 7.81 141 D 8.25 4.29 0.00 2.74 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 0.00 142 I 7.59 3.52 1.28 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.42 0.16 0.00 0.00 143 A 7.57 3.39 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 0.00 144 A 7.51 3.90 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 0.00 145 K 7.53 3.99 0.00 1.93 1.95 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.62 7.81 146 Y 8.29 4.59 0.00 3.06 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 0.00 147 K 8.22 4.22 0.00 1.96 1.86 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.56 7.81 148 E 7.99 4.01 0.00 2.19 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 2.36 2.60 0.00 149 L 7.74 4.54 0.00 1.86 1.71 0.96 1.04 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 0.00 150 G 8.28 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 0.00 151 Y 7.64 4.79 0.00 2.84 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 0.00 152 Q 8.47 3.92 0.00 1.90 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.77 0.00 0.00 0.00 0.00 0.00 2.30 2.23 0.00 153 G 5.61 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.