NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2947 8.1749 110.9317 61.1599 70.5998 173.7987 3 M 4.0419 7.7951 121.5686 55.2235 32.6168 173.7743 4 Q 4.6608 9.1051 121.3300 54.3397 32.0161 174.8099 5 I 4.5770 8.1688 123.6609 59.3626 39.7950 175.2788 6 K 4.2461 8.4194 127.9195 55.9238 33.2481 176.0305 7 I 4.7442 8.2444 124.6365 58.8468 40.7394 174.0304 8 K 4.5973 8.8388 130.6322 54.8707 34.5407 174.3859 9 Y 4.9137 8.5654 124.2096 56.4051 39.4170 175.4726 10 L 4.0966 9.2340 125.7974 58.2748 42.8006 176.2105 11 D 4.5916 7.6935 115.6816 52.4411 41.7662 175.6002 12 E 3.9254 8.7809 118.4368 59.6463 29.3937 178.9700 13 T 3.9429 8.0852 107.9379 63.6038 69.1451 174.6066 14 Q 3.9612 7.6107 121.8187 55.9762 28.6226 176.4237 15 T 3.8218 8.3978 120.6785 63.5594 68.9244 174.6384 16 R 3.6455 8.1587 125.6883 55.4064 30.7705 176.5097 17 I 3.7475 8.4649 123.0427 61.8850 37.3855 176.6578 18 S 4.3389 8.6494 123.8541 58.2390 63.4847 174.8834 *19 K 3.9390 8.5061 123.7559 55.1871 31.7642 177.7133 20 I 4.2299 8.0568 116.7197 58.8120 39.3165 174.9839 21 E 4.2629 8.4194 122.7168 54.7270 29.5872 175.5119 22 Q 3.9884 8.6429 125.1984 58.1113 29.1234 176.4132 23 G 4.1008 8.9521 110.3539 45.7361 0.0000 173.8398 24 D 4.5925 7.3402 117.9552 53.7986 41.3618 176.3330 25 W 4.3355 8.9393 121.8823 57.2731 30.2232 175.3716 26 I 4.5131 8.5124 123.0900 59.4211 39.0985 175.1623 27 D 5.1300 8.9716 127.2917 54.4644 41.7756 175.7607 28 L 4.9965 9.3534 121.9052 53.1035 45.7022 175.6061 29 R 5.1572 8.4224 120.3575 54.0011 33.1291 175.4643 30 A 4.4358 8.4496 124.4425 52.9168 18.9180 178.1685 31 A 4.4298 8.9466 123.8196 53.2361 19.4621 176.6054 32 E 4.6547 7.6511 111.3929 54.8479 32.7720 174.7089 33 D 4.6926 8.5646 120.2599 54.6118 41.7119 176.4439 34 V 4.5188 8.8354 122.4621 61.3203 35.0176 173.8471 35 T 5.0619 8.6094 117.6612 60.0417 71.0413 173.7026 36 I 4.6224 8.1774 124.7384 59.4855 41.3427 175.1483 37 K 4.6881 8.5379 125.4380 54.8620 34.0652 176.1823 38 K 3.8163 9.0332 123.4346 58.6056 32.3319 176.1189 39 D 4.5070 8.6673 123.5265 54.7139 39.0591 173.1604 40 E 4.7908 7.4619 116.7055 54.4591 33.6265 174.6817 41 F 5.3875 8.5244 122.6603 56.8065 42.6583 174.4126 42 K 4.0934 6.9695 122.6326 55.1100 36.1347 174.5750 43 L 4.4783 8.2303 127.7988 54.1218 42.2083 176.6567 44 V 4.0925 9.0051 126.8855 61.3768 32.5140 173.7297 45 P 4.2176 0.0000 0.0000 62.9915 31.7719 176.6401 46 L 5.0652 8.1882 120.8038 53.1216 43.3337 178.1321 47 G 3.7498 8.1399 107.3719 45.5295 0.0000 173.1489 48 V 4.9180 7.3067 112.3538 59.2083 35.9139 174.5609 49 A 4.7765 8.6957 124.2196 50.5143 22.6150 175.0565 50 M 4.9774 8.2242 118.6221 53.6769 37.0243 173.7630 51 E 4.5466 8.7643 124.2422 54.6855 30.8989 175.5835 52 L 4.4055 8.5235 127.0756 53.5621 43.0448 175.2428 53 P 4.5160 0.0000 0.0000 62.3446 32.6383 176.2459 54 E 4.2449 8.7239 121.9025 57.9741 30.0770 177.5794 55 G 3.9019 10.3919 111.6210 45.9740 0.0000 172.1754 56 Y 5.1003 7.8060 116.6537 55.7385 41.6552 174.4612 57 E 5.0132 9.3823 118.6077 54.7106 33.7865 174.0821 58 A 5.3200 9.1639 122.3230 50.8148 21.8835 175.4754 59 H 5.5685 9.1746 118.5497 54.0496 31.9596 173.5697 60 V 5.4330 8.8150 122.1131 61.4833 34.4030 174.7401 61 V 5.4391 9.0468 119.3226 57.8214 36.3647 173.2171 62 P 4.9867 0.0000 0.0000 62.7653 32.1528 176.8913 63 R 4.1095 8.2087 120.8442 55.9762 30.8241 177.8707 64 S 4.0823 8.8403 115.4493 61.7504 62.3056 175.7368 65 S 4.4472 7.9953 111.8926 59.2701 63.6759 175.7883 66 T 4.0123 8.0897 119.6722 67.1457 68.0995 175.6064 67 Y 3.9473 8.0201 120.7630 60.4596 38.7617 177.3639 68 K 3.8248 8.1195 118.6416 59.9237 32.3369 177.9444 69 N 4.0977 8.0216 115.3584 55.2085 37.1946 176.5216 70 F 5.0561 8.0236 116.6594 55.6196 40.7261 175.8813 71 G 3.5467 8.2454 107.3558 46.2967 0.0000 173.1323 72 V 5.2861 7.2450 110.4650 59.1785 34.9299 175.3121 73 I 4.7750 8.8837 115.9129 59.3936 41.2248 174.1012 74 Q 4.6028 8.4738 124.1188 54.5215 29.5592 176.2800 75 T 3.8634 8.5896 118.7283 64.3378 68.9061 174.7975 76 N 4.5133 8.0099 116.9736 51.9709 37.0434 174.0805 77 S 3.9104 7.4682 115.1084 58.8166 62.3751 170.6246 78 M 4.9844 7.5714 119.6783 53.7071 35.3458 175.2232 79 G 3.8144 9.2146 113.8706 46.0457 0.0000 172.4191 80 V 4.9410 8.1847 122.9076 60.8182 34.0490 174.5877 81 I 4.2003 8.5638 129.0338 59.2832 39.7016 174.7622 82 D 4.8192 8.6413 127.4392 53.5976 42.0709 176.4399 83 E 4.1562 8.4132 121.6844 59.9295 29.2239 179.0389 84 S 4.2517 8.5352 113.6384 60.6749 63.4192 174.4349 85 Y 4.5667 7.8563 123.9825 56.2575 36.5496 174.5070 86 K 4.7466 7.2009 115.7484 54.1238 34.6185 177.5875 87 G 3.6797 8.6420 109.9901 45.6558 0.0000 174.3533 88 D 4.1932 8.3949 118.5073 55.8920 41.4210 176.3505 89 N 4.9176 7.8278 115.3305 53.5987 39.6779 174.9793 90 D 4.3741 6.8384 118.3333 52.6460 39.1446 176.2934 91 F 4.6851 7.8516 118.9899 57.0395 40.5829 175.2064 92 W 5.1709 8.9736 122.8647 55.6244 30.8673 175.5851 93 F 5.3585 8.9791 121.4381 55.7750 42.8806 173.7751 94 F 4.8985 9.6416 124.9428 56.0750 41.2956 173.0703 95 P 4.8147 0.0000 0.0000 62.2184 32.1356 174.2647 96 A 5.1584 8.5216 128.4052 50.5225 21.2361 174.5913 97 Y 5.1728 9.0846 124.2616 55.7653 41.3163 174.2667 98 A 4.8247 8.2455 129.2897 51.4677 19.8279 177.5111 99 L 4.6809 9.1393 122.7849 55.4248 42.6520 176.6291 100 R 4.6765 7.6607 113.6138 54.1148 32.4965 174.1223 101 D 4.6418 8.4822 118.3911 55.2992 41.2022 175.9766 102 T 4.7440 8.8718 116.4442 60.7308 71.9446 171.9129 103 E 4.8851 8.6688 124.4443 54.6485 32.3376 174.2574 104 I 4.3322 8.8775 128.4977 59.5081 39.9127 174.9038 105 K 4.8565 9.2666 126.0406 54.0991 34.4697 176.0448 106 K 3.9957 9.0176 125.0536 58.6121 32.3885 176.1835 107 G 4.0277 9.1553 114.8211 45.2860 0.0000 173.4915 108 D 4.3655 7.9620 120.1410 54.8949 41.8000 176.5839 109 R 4.7344 8.8748 123.1707 56.5864 29.0303 176.0022 110 I 4.3366 8.5217 118.5490 61.4289 39.8601 174.8202 111 C 5.1874 7.6512 116.7416 57.5081 33.3557 172.3231 112 Q 5.4587 9.6395 116.3757 54.8121 32.0086 173.9473 113 F 6.3000 10.0344 115.3128 54.4379 41.9705 173.4954 114 R 4.3528 7.8177 115.0772 54.3458 33.0525 173.5957 115 I 4.9754 7.8638 112.7352 60.0245 40.1322 174.4566 116 M 4.9069 9.0013 122.1964 53.7252 36.0454 173.8607 117 K 3.3290 8.5593 126.2230 56.2403 32.7553 176.6531 118 K 4.2955 8.2433 126.8168 56.1331 32.7626 176.9616 119 M 4.1645 8.4676 119.4523 54.5267 31.7329 174.6161 120 P 4.2875 0.0000 0.0000 62.1521 32.1252 176.3309 121 A 4.0052 8.4650 123.3588 52.8878 18.6292 177.6266 122 V 4.4858 8.1588 115.0724 59.2708 34.9858 174.7497 123 E 4.5047 8.4183 121.1301 54.3718 31.6519 174.8989 124 L 4.3586 8.5496 126.7222 53.5896 42.4802 176.0838 125 V 4.2704 8.0864 123.6441 60.4173 33.2476 174.6334 126 E 4.0552 8.8194 128.6535 56.2616 30.0279 176.0649 127 V 4.5626 7.9767 118.6451 59.3772 34.8766 175.7150 128 E 4.0783 8.6938 121.8828 59.1918 29.6856 177.2967 129 H 4.9694 7.7031 112.8132 54.0858 32.9508 173.1614 130 L 4.3021 8.5029 120.8116 55.0072 41.7108 176.6106 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 T 8.17 4.29 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 1.19 0.00 0.00 3 M 7.80 4.04 0.00 1.90 1.85 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 4 Q 9.11 4.66 0.00 1.89 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 5 I 8.17 4.58 1.88 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.59 0.89 0.00 0.00 6 K 8.42 4.25 0.00 1.63 1.68 0.00 1.57 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.36 7.81 7 I 8.24 4.74 1.63 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 0.23 0.44 0.85 0.00 0.00 8 K 8.84 4.60 0.00 1.70 1.43 0.00 1.78 0.00 0.00 1.58 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.40 7.81 9 Y 8.57 4.91 0.00 2.88 2.86 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 0.00 0.00 0.00 0.00 10 L 9.23 4.10 0.00 1.25 1.55 0.21 0.93 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 11 D 7.69 4.59 0.00 2.83 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 12 E 8.78 3.93 0.00 1.93 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 2.36 0.00 13 T 8.09 3.94 4.21 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 1.18 0.00 0.00 14 Q 7.61 3.96 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.84 0.00 0.00 0.00 0.00 0.00 2.75 2.71 0.00 15 T 8.40 3.82 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 1.19 0.00 0.00 16 R 8.16 3.65 0.00 1.58 1.72 0.00 2.29 0.00 0.00 2.79 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.90 0.00 17 I 8.46 3.75 2.02 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 1.43 0.68 0.99 0.00 0.00 18 S 8.65 4.34 0.00 3.88 3.81 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 *19 K 8.51 3.94 0.00 1.77 1.62 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.37 1.02 7.81 20 I 8.06 4.23 1.84 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 1.27 0.90 0.90 0.00 0.00 21 E 8.42 4.26 0.00 2.07 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 2.34 2.39 0.00 22 Q 8.64 3.99 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.29 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 23 G 8.95 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 0.00 0.00 0.00 24 D 7.34 4.59 0.00 2.80 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 25 W 8.94 4.34 0.00 3.17 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 26 I 8.51 4.51 1.09 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.74 1.02 0.00 0.00 27 D 8.97 5.13 0.00 2.64 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 28 L 9.35 5.00 0.00 1.67 1.62 1.21 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.42 5.16 0.00 1.76 1.79 0.00 3.16 0.00 0.00 3.49 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 30 A 8.45 4.44 1.16 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 31 A 8.95 4.43 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 32 E 7.65 4.65 0.00 1.91 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 2.16 2.32 0.00 33 D 8.56 4.69 0.00 2.56 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 34 V 8.84 4.52 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 0.90 0.00 0.00 35 T 8.61 5.06 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 1.24 0.00 0.00 36 I 8.18 4.62 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.83 0.83 0.00 0.00 37 K 8.54 4.69 0.00 1.83 1.69 0.00 1.69 0.00 0.00 2.00 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.41 7.81 38 K 9.03 3.82 0.00 1.84 1.75 0.00 1.96 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.49 1.56 7.81 39 D 8.67 4.51 0.00 2.87 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 40 E 7.46 4.79 0.00 1.95 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 2.17 2.43 0.00 41 F 8.52 5.39 0.00 3.15 2.97 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 42 K 6.97 4.09 0.00 1.72 1.37 0.00 1.53 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.27 1.35 7.81 43 L 8.23 4.48 0.00 1.52 1.67 0.64 1.05 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 44 V 9.01 4.09 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 0.92 0.00 0.00 0.98 0.00 0.00 45 P 0.00 4.22 0.00 1.95 2.07 0.00 3.75 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 46 L 8.19 5.07 0.00 1.79 1.76 1.20 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.14 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 48 V 7.31 4.92 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 0.49 0.00 0.00 0.49 0.00 0.00 49 A 8.70 4.78 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.22 4.98 0.00 1.76 1.66 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.08 0.00 51 E 8.76 4.55 0.00 2.02 1.80 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 2.23 2.28 0.00 52 L 8.52 4.41 0.00 1.70 1.72 1.10 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.52 0.00 1.87 1.85 0.00 3.59 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.15 0.00 54 E 8.72 4.24 0.00 2.02 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 2.35 2.35 0.00 55 G 10.39 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 56 Y 7.81 5.10 0.00 3.17 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 57 E 9.38 5.01 0.00 2.13 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 2.35 2.23 0.00 58 A 9.16 5.32 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 59 H 9.17 5.57 0.00 3.11 3.37 0.00 5.58 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.81 5.43 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 1.45 0.00 0.00 1.03 0.00 0.00 61 V 9.05 5.44 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 1.18 0.00 0.00 0.69 0.00 0.00 62 P 0.00 4.99 0.00 2.08 2.24 0.00 3.80 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.55 0.00 63 R 8.21 4.11 0.00 2.02 1.88 0.00 3.37 0.00 0.00 3.39 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.55 0.00 64 S 8.84 4.08 0.00 3.79 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 65 S 8.00 4.45 0.00 4.10 4.06 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 66 T 8.09 4.01 4.48 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 1.41 0.00 0.00 67 Y 8.02 3.95 0.00 3.14 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 68 K 8.12 3.82 0.00 1.81 1.87 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.56 7.81 69 N 8.02 4.10 0.00 1.52 1.53 0.00 0.00 6.94 6.99 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 70 F 8.02 5.06 0.00 3.13 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 71 G 8.25 3.55 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 0.00 0.00 0.00 72 V 7.25 5.29 2.34 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 0.90 0.00 0.00 1.23 0.00 0.00 73 I 8.88 4.78 1.97 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 1.48 0.89 1.04 0.00 0.00 74 Q 8.47 4.60 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.93 0.00 0.00 0.00 0.00 0.00 2.29 1.53 0.00 75 T 8.59 3.86 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 1.41 0.00 0.00 76 N 8.01 4.51 0.00 2.79 2.89 0.00 0.00 6.06 7.64 0.00 0.00 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 S 7.47 3.91 0.00 4.06 3.92 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 0.00 0.00 0.00 0.00 78 M 7.57 4.98 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.54 0.00 79 G 9.21 3.81 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 0.00 0.00 0.00 80 V 8.18 4.94 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 0.84 0.00 0.00 0.85 0.00 0.00 81 I 8.56 4.20 1.49 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.16 0.76 0.00 0.00 82 D 8.64 4.82 0.00 2.80 2.54 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 83 E 8.41 4.16 0.00 2.12 2.43 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 2.37 2.35 0.00 84 S 8.54 4.25 0.00 4.06 4.12 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 85 Y 7.86 4.57 0.00 2.87 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 86 K 7.20 4.75 0.00 1.81 1.97 0.00 1.24 0.00 0.00 2.53 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.33 7.81 87 G 8.64 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 0.00 0.00 0.00 88 D 8.39 4.19 0.00 2.59 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 89 N 7.83 4.92 0.00 2.72 2.75 0.00 0.00 7.00 8.47 0.00 0.00 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 D 6.84 4.37 0.00 2.17 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 91 F 7.85 4.69 0.00 3.24 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 92 W 8.97 5.17 0.00 3.21 3.13 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 93 F 8.98 5.36 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 94 F 9.64 4.90 0.00 3.08 2.96 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 95 P 0.00 4.81 0.00 2.39 2.39 0.00 3.29 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 1.87 1.92 0.00 96 A 8.52 5.16 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.08 5.17 0.00 3.23 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 98 A 8.25 4.82 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 99 L 9.14 4.68 0.00 1.97 1.96 1.29 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.66 4.68 0.00 1.86 1.88 0.00 3.01 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.62 0.00 101 D 8.48 4.64 0.00 2.56 2.65 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 0.00 102 T 8.87 4.74 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 1.31 0.00 0.00 103 E 8.67 4.89 0.00 1.95 1.81 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 2.19 2.37 0.00 104 I 8.88 4.33 1.70 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.37 0.52 0.00 0.00 105 K 9.27 4.86 0.00 1.94 1.69 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.54 7.81 106 K 9.02 4.00 0.00 1.63 1.73 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.42 7.81 107 G 9.16 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 0.00 108 D 7.96 4.37 0.00 2.49 2.48 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 0.00 109 R 8.87 4.73 0.00 1.76 1.98 0.00 3.49 0.00 0.00 3.32 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 110 I 8.52 4.34 1.32 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.43 0.40 0.00 0.00 111 C 7.65 5.19 0.00 3.44 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 0.00 112 Q 9.64 5.46 0.00 2.39 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.74 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 113 F 10.03 6.30 0.00 3.53 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.82 4.35 0.00 1.01 0.66 0.00 2.21 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.95 0.00 115 I 7.86 4.98 2.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.66 1.08 0.00 0.00 116 M 9.00 4.91 0.00 1.91 1.74 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 117 K 8.56 3.33 0.00 1.45 1.49 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.61 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.16 0.89 7.81 118 K 8.24 4.30 0.00 1.59 1.68 0.00 1.97 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.65 1.32 7.81 119 M 8.47 4.16 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 120 P 0.00 4.29 0.00 2.04 2.01 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 121 A 8.47 4.01 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 0.00 122 V 8.16 4.49 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 0.78 0.00 0.00 0.92 0.00 0.00 123 E 8.42 4.50 0.00 1.86 1.78 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 2.17 2.28 0.00 124 L 8.55 4.36 0.00 1.64 1.59 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 125 V 8.09 4.27 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 0.79 0.00 0.00 0.93 0.00 0.00 126 E 8.82 4.06 0.00 1.95 1.84 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 2.27 2.31 0.00 127 V 7.98 4.56 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 0.81 0.00 0.00 0.96 0.00 0.00 128 E 8.69 4.08 0.00 1.89 1.82 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 2.26 2.29 0.00 129 H 7.70 4.97 0.00 3.08 3.12 0.00 5.68 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 0.00 130 L 8.50 4.30 0.00 1.63 1.57 0.92 0.83 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 * Residues marked with a * may have inaccurate shift predictions.