NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4125 8.2931 118.1941 55.0575 32.3113 177.6562 2 G 4.1148 8.7937 108.9492 42.1958 0.0000 170.8592 3 K 4.2146 8.4678 119.6287 55.6805 33.9182 177.0025 4 G 3.6126 8.6353 112.2961 48.3472 0.0000 174.5019 5 K 4.1984 7.1907 117.7673 54.9981 32.6786 175.2008 6 P 4.3397 0.0000 0.0000 63.7103 31.5678 176.5338 7 R 3.9229 8.1036 116.8266 57.3460 27.0769 177.9176 8 G 3.6644 8.2484 108.4461 49.3373 0.0000 173.9211 9 L 4.3322 9.1820 117.3091 54.6190 44.4739 171.4637 10 N 4.1991 9.1029 111.8378 56.3240 35.7645 174.0535 11 S 3.6153 8.0041 115.6252 59.3802 61.9296 170.8142 12 A 4.6584 7.0656 119.3907 51.9385 22.0974 176.9962 13 R 4.1051 8.7126 114.2141 57.4646 30.1003 178.8081 14 K 3.7854 7.5928 116.5556 59.4956 32.0005 178.6629 15 L 4.0870 7.9346 120.4327 58.3913 41.9208 179.1671 16 R 4.0764 7.6750 117.4884 58.8476 29.5534 179.1258 17 V 3.6110 7.4410 117.1581 66.2081 31.1235 177.5539 18 H 4.2102 7.9331 117.0725 59.2853 29.4577 177.4474 19 R 3.9738 7.5938 119.0427 59.1224 29.9644 178.8164 20 R 4.0835 7.3310 114.6466 59.4530 29.5252 178.4165 21 N 4.6108 8.1809 117.0513 55.9886 38.4726 176.9565 22 N 4.3964 7.7941 115.8923 55.2472 37.2825 175.6220 23 R 4.2810 7.5794 119.7166 56.3585 31.6264 174.8434 24 W 4.4015 8.5173 126.6748 57.6631 30.5007 175.2552 25 A 4.0825 8.9634 129.2673 55.2173 18.1299 177.6749 26 E 4.2281 7.8226 111.1613 55.6321 30.7815 175.7208 27 N 4.3942 8.2631 116.1812 53.4225 40.1047 173.6552 28 N 3.7298 7.8450 130.1434 52.5879 37.6413 178.0683 *29 Y 3.8714 8.9427 118.6423 58.8479 37.1915 177.0572 *30 K 3.6950 8.8346 129.7451 55.1327 31.4157 170.6552 *31 K 4.7585 8.3598 119.3653 56.0053 36.0169 174.5628 *32 R 4.7513 8.1404 122.0996 55.2184 30.6902 175.6782 *33 L 4.1594 8.2386 125.4680 56.1963 41.7201 180.2831 *34 L 5.2632 7.3289 125.6378 54.0393 43.8499 174.9653 35 G 4.1254 8.2142 114.7539 45.6884 0.0000 170.9782 *36 T 4.3941 8.3232 110.2337 59.1352 71.9138 168.0782 37 A 4.1963 9.0024 120.1049 53.5173 18.4116 178.5039 38 F 4.4001 9.4601 121.6710 59.5674 39.2904 175.8588 39 K 4.8456 8.3328 119.9519 53.1744 34.6560 174.8159 40 S 4.6225 8.6396 120.0693 56.6665 65.9547 172.7164 41 S 4.6670 8.8846 120.5102 55.9403 62.9399 170.7240 42 P 4.6198 0.0000 0.0000 61.3831 33.1711 174.6069 43 F 5.2728 6.7415 118.6415 54.7154 38.7206 175.4099 44 G 4.0182 8.5798 110.5502 43.8109 0.0000 172.7951 45 G 4.2797 8.1102 108.7860 43.0520 0.0000 171.8981 46 S 4.6102 7.7528 113.1120 57.3503 65.7965 173.5577 47 S 4.8295 8.8088 122.1473 56.9857 64.5472 172.6292 48 H 5.0441 8.5917 123.6967 54.6762 34.1139 171.0703 49 A 4.8426 7.7435 119.8113 50.0206 21.4473 175.4864 50 K 4.6028 8.2086 116.6340 54.3841 36.7641 176.2898 51 G 4.1391 8.3709 110.0808 44.7050 0.0000 172.1619 52 I 4.2416 8.6461 118.4958 60.7186 38.2360 176.9310 53 V 4.5796 8.5174 114.5398 59.6666 35.3389 175.7774 54 L 4.0951 8.5895 119.5661 57.2784 41.4056 178.2996 55 E 4.5988 8.0934 115.0790 56.1550 32.0625 176.1150 56 K 4.5140 7.5761 117.1442 54.8062 30.8146 178.1476 57 L 4.4972 8.6534 120.2946 54.6701 43.5907 171.2600 58 G 4.2810 7.3600 107.3278 43.2971 0.0000 173.4295 59 I 4.2399 7.5317 120.5719 59.7669 38.6707 173.8860 60 E 4.4177 8.2603 127.9609 55.8219 31.2036 175.6903 61 S 4.8232 8.4373 116.6899 57.3644 62.7885 173.1440 62 K 4.8366 8.5005 123.9850 54.7645 37.3201 174.8312 63 Q 4.7469 8.6198 121.5576 54.1511 32.1082 172.4044 64 P 4.8800 0.0000 0.0000 62.6778 32.6693 175.5290 65 N 4.9515 8.5160 117.9391 51.6104 43.6589 173.1700 66 S 4.6371 8.2394 116.6172 56.6112 64.0467 173.5977 67 A 4.2602 8.6150 130.8042 51.4968 19.1789 177.4467 68 I 3.8704 8.2215 121.0277 64.5720 37.4759 177.9009 69 R 4.0503 8.1745 121.0315 55.9109 28.1304 174.6127 70 K 4.7118 6.6213 118.4757 55.9236 31.1799 174.0838 71 C 4.6652 7.7840 117.9977 57.3780 31.6502 173.0265 72 V 4.6664 8.2155 120.5106 60.2266 33.4529 174.6087 73 R 4.8303 8.1593 124.2893 55.1141 35.2883 173.4749 74 V 4.5022 8.2638 119.3235 60.5420 33.1393 175.4833 75 Q 5.1126 8.3424 121.1825 53.0980 32.5155 174.6476 76 L 4.4601 8.5132 123.7794 54.3900 44.3352 174.9168 77 I 3.9595 7.9748 123.3011 59.2950 39.5359 175.7655 78 K 4.2461 7.6037 125.2228 56.0998 33.8679 176.8064 79 N 4.6192 8.7748 114.3549 53.3254 37.3725 174.7475 80 G 3.7669 8.4832 107.3505 44.4327 0.0000 174.0609 81 K 3.7316 8.3700 118.1210 57.4254 33.1367 173.1967 82 K 4.3337 7.8750 115.3238 57.1869 34.2013 173.9549 83 V 4.5596 7.4271 118.6779 62.5515 34.9399 172.2624 84 T 4.6202 8.0213 116.4125 61.0279 70.1583 171.7150 85 A 4.7578 8.7189 128.9927 51.8668 18.1102 177.4364 86 F 4.2934 9.0257 114.8370 61.2696 39.0897 176.8392 87 V 3.4579 6.7320 123.4364 61.9403 30.9513 175.8064 88 P 4.8296 0.0000 0.0000 61.6254 35.7517 174.3720 89 N 4.9856 8.6890 118.1325 52.4233 39.8660 174.2351 90 D 4.8314 8.2412 124.6809 52.2378 43.0436 176.2750 91 G 4.1446 8.7944 111.4580 45.3961 0.0000 172.4656 92 C 5.1102 8.5449 118.4802 56.3613 32.0210 175.2734 93 L 3.9409 8.8998 122.9020 56.9774 42.1149 176.1457 94 N 4.1727 7.7695 112.3479 53.8450 36.4492 172.9862 95 F 4.8115 7.9998 115.4967 55.7460 40.5036 175.5911 96 V 4.1109 7.8797 114.5318 59.8730 33.0662 176.3209 97 D 4.1706 8.1468 123.1972 54.9828 41.1073 177.3988 98 E 3.8430 7.6194 117.0095 55.7307 28.5434 171.8956 99 N 4.5038 7.2655 109.9684 52.1475 39.4937 173.3201 100 D 4.3249 7.9249 117.7304 53.1832 44.0649 174.8497 101 E 4.0337 8.8849 127.4681 57.4552 30.0357 177.1689 102 V 3.2558 8.4400 123.1455 63.3064 30.8253 172.0358 103 L 4.6280 7.3517 120.3882 54.3710 40.7233 175.4683 104 L 4.1577 8.0867 122.8767 55.5018 42.4567 176.0855 105 A 4.8077 6.7891 119.0166 51.5230 23.1059 174.8729 106 G 4.5381 8.9132 104.9256 44.6890 0.0000 171.5480 107 F 4.9508 8.5378 116.7962 54.8840 39.8885 176.4438 108 G 4.0011 8.6433 113.4025 44.0267 0.0000 172.0625 109 R 4.0832 8.2973 119.7110 55.9959 30.1123 176.1910 110 K 4.1719 8.9731 121.6612 56.4399 36.3430 177.0295 111 G 4.0257 9.5159 117.1840 46.5573 0.0000 174.0154 112 K 4.0378 9.2575 123.3996 58.4000 33.2902 177.0226 113 A 4.3960 7.5685 120.8499 51.7177 18.6650 178.0217 114 K 4.4285 7.9574 124.4863 56.4140 35.2410 176.3284 115 G 4.4957 8.3644 105.2370 44.2639 0.0000 171.7900 116 D 4.8328 8.4507 124.2922 53.1325 43.3967 176.7354 *117 I 3.5054 8.6222 123.9848 60.6592 35.6438 174.6067 *118 P 4.2438 0.0000 0.0000 61.1589 30.1496 172.3552 119 G 4.1977 8.2077 117.2694 45.1117 0.0000 170.0977 *120 V 4.2126 8.2514 117.8214 61.9081 36.2217 168.6439 *121 R 4.1996 9.6794 123.4582 58.1317 25.6931 173.3761 *122 F 4.0081 8.9355 116.5983 56.2521 37.4863 179.1308 *123 K 4.6752 9.0368 128.4874 55.9714 30.1268 182.3376 *124 V 3.8665 7.7122 117.3371 63.9125 31.7967 180.0325 *125 V 3.8815 7.5832 118.0207 62.1497 32.3003 178.5372 *126 K 3.8013 8.9922 123.3922 55.5765 29.2328 178.3052 *127 V 3.7763 7.9501 122.5998 62.6408 33.2165 178.7720 *128 S 4.9514 8.3230 124.0025 56.4714 63.3141 172.0662 129 G 4.0253 8.8445 113.5782 47.2563 0.0000 172.1851 *130 V 4.5126 8.6749 127.3131 61.3721 30.0664 179.0378 *131 S 4.6716 8.7645 114.4531 57.0529 62.0102 175.0899 *132 L 5.0802 7.9664 135.0000 55.6558 40.2531 175.4272 *133 L 4.2165 9.0088 118.6093 57.3717 42.9295 181.6590 134 A 3.9656 7.6203 122.1323 54.7158 19.4852 179.1450 *135 L 4.0730 9.3855 124.0615 60.2521 40.7178 182.2579 *136 W 4.4498 7.6746 124.2121 61.7042 28.0105 181.2892 *137 K 4.2700 8.0954 126.1917 60.4026 31.0602 181.7135 *138 E 4.4073 8.2696 121.5531 61.4257 29.6093 181.7587 *139 K 4.1873 7.6330 127.6392 60.2555 31.5524 181.8177 *140 K 4.2633 7.7832 126.1814 60.3740 32.0171 181.2566 *141 E 4.4033 7.9816 121.9071 61.0650 28.9553 181.6907 *142 K 4.1888 7.9975 126.2006 60.4769 31.5299 181.5455 *143 P 4.6702 0.0000 0.0000 67.4540 30.7598 180.8549 *144 R 4.3593 7.4007 118.0998 62.2242 29.4732 181.0425 *145 S 4.6692 7.7343 122.3520 60.2856 62.5139 175.5577 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 1 M 8.29 4.41 0.00 2.14 1.50 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.55 0.00 2 G 8.79 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.47 4.21 0.00 1.76 1.68 0.00 1.97 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.38 7.81 4 G 8.64 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 5 K 7.19 4.20 0.00 1.81 1.71 0.00 1.81 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.37 7.81 6 P 0.00 4.34 0.00 2.22 2.16 0.00 3.92 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 7 R 8.10 3.92 0.00 2.00 2.11 0.00 3.21 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 8 G 8.25 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 9 L 9.18 4.33 0.00 1.81 1.86 0.92 0.74 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 10 N 9.10 4.20 0.00 2.82 2.83 0.00 0.00 6.88 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.00 3.62 0.00 4.09 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 12 A 7.07 4.66 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 13 R 8.71 4.11 0.00 2.01 2.08 0.00 3.35 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 14 K 7.59 3.79 0.00 1.82 1.85 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.58 1.59 7.81 15 L 7.93 4.09 0.00 1.76 1.68 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.67 4.08 0.00 1.79 1.96 0.00 3.18 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 17 V 7.44 3.61 2.18 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 1.00 0.00 0.00 0.98 0.00 0.00 18 H 7.93 4.21 0.00 3.30 3.46 0.00 5.66 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 7.59 3.97 0.00 1.94 1.98 0.00 3.23 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 20 R 7.33 4.08 0.00 1.78 2.06 0.00 3.04 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.69 0.00 21 N 8.18 4.61 0.00 2.98 2.99 0.00 0.00 6.86 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 22 N 7.79 4.40 0.00 2.93 2.98 0.00 0.00 6.86 7.54 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 23 R 7.58 4.28 0.00 1.89 2.01 0.00 3.29 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 24 W 8.52 4.40 0.00 3.12 3.15 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 0.00 25 A 8.96 4.08 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 26 E 7.82 4.23 0.00 2.09 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 2.53 2.49 0.00 27 N 8.26 4.39 0.00 2.67 2.70 0.00 0.00 6.76 8.00 0.00 0.00 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 N 7.84 3.73 0.00 2.27 1.71 0.00 0.00 6.95 7.54 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 *29 Y 8.94 3.87 0.00 2.37 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 0.00 0.00 0.00 *30 K 8.83 3.69 0.00 1.84 1.67 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 0.99 7.81 *31 K 8.36 4.76 0.00 1.70 1.53 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.25 0.99 7.81 *32 R 8.14 4.75 0.00 1.78 1.73 0.00 3.23 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.19 0.00 *33 L 8.24 4.16 0.00 1.66 1.61 0.92 0.88 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 *34 L 7.33 5.26 0.00 1.72 1.51 0.92 0.67 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 35 G 8.21 4.13 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 0.00 0.00 0.00 *36 T 8.32 4.39 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 37 A 9.00 4.20 1.39 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 0.00 0.00 0.00 38 F 9.46 4.40 0.00 2.95 2.92 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 39 K 8.33 4.85 0.00 1.73 1.72 0.00 1.58 0.00 0.00 2.45 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.38 7.81 40 S 8.64 4.62 0.00 3.89 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 41 S 8.88 4.67 0.00 3.90 3.86 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 42 P 0.00 4.62 0.00 1.99 2.00 0.00 3.86 0.00 0.00 3.80 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 43 F 6.74 5.27 0.00 3.03 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 44 G 8.58 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.11 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 0.00 0.00 0.00 0.00 46 S 7.75 4.61 0.00 3.83 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 47 S 8.81 4.83 0.00 3.91 3.86 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 48 H 8.59 5.04 0.00 3.41 3.21 0.00 5.72 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 7.74 4.84 1.17 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 0.00 0.00 0.00 50 K 8.21 4.60 0.00 1.72 1.70 0.00 1.68 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.40 7.81 51 G 8.37 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 52 I 8.65 4.24 2.26 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 1.47 1.00 0.92 0.00 0.00 53 V 8.52 4.58 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 0.82 0.00 0.00 0.92 0.00 0.00 54 L 8.59 4.10 0.00 1.65 1.78 0.92 0.84 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 55 E 8.09 4.60 0.00 1.93 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 2.22 2.20 0.00 56 K 7.58 4.51 0.00 1.68 0.94 0.00 1.80 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.46 7.81 57 L 8.65 4.50 0.00 1.69 1.58 0.92 0.98 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 58 G 7.36 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 0.00 0.00 0.00 0.00 59 I 7.53 4.24 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 1.40 0.64 0.90 0.00 0.00 60 E 8.26 4.42 0.00 1.83 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 0.00 2.30 2.29 0.00 61 S 8.44 4.82 0.00 3.87 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.50 4.84 0.00 1.75 1.83 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.35 7.81 63 Q 8.62 4.75 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.99 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 64 P 0.00 4.88 0.00 1.98 1.96 0.00 3.85 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 2.06 2.15 0.00 65 N 8.52 4.95 0.00 2.51 2.44 0.00 0.00 6.54 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 66 S 8.24 4.64 0.00 3.72 3.34 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 67 A 8.61 4.26 1.22 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 0.00 0.00 0.00 68 I 8.22 3.87 1.90 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 1.59 0.83 0.96 0.00 0.00 69 R 8.17 4.05 0.00 1.76 1.84 0.00 3.41 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 70 K 6.62 4.71 0.00 1.77 1.73 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.45 7.81 71 C 7.78 4.67 0.00 3.05 2.92 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 72 V 8.22 4.67 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 0.97 0.00 0.00 0.87 0.00 0.00 73 R 8.16 4.83 0.00 1.95 1.76 0.00 3.30 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 74 V 8.26 4.50 2.10 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 0.76 0.00 0.00 0.97 0.00 0.00 75 Q 8.34 5.11 0.00 2.62 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.87 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 76 L 8.51 4.46 0.00 1.81 1.59 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.97 3.96 1.71 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 0.84 0.64 0.65 0.00 0.00 78 K 7.60 4.25 0.00 1.50 1.64 0.00 1.55 0.00 0.00 1.50 0.00 0.00 2.91 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.23 1.31 7.81 79 N 8.77 4.62 0.00 2.84 2.92 0.00 0.00 6.85 7.65 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 80 G 8.48 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.37 3.73 0.00 1.96 1.86 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.41 7.81 82 K 7.88 4.33 0.00 1.77 1.79 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.21 1.26 7.81 83 V 7.43 4.56 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 0.90 0.00 0.00 0.95 0.00 0.00 84 T 8.02 4.62 4.34 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 1.28 0.00 0.00 85 A 8.72 4.76 1.01 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 0.00 0.00 86 F 9.03 4.29 0.00 3.00 3.03 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 87 V 6.73 3.46 1.70 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 0.90 0.00 0.00 -0.17 0.00 0.00 88 P 0.00 4.83 0.00 2.02 2.02 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.93 0.00 89 N 8.69 4.99 0.00 2.58 2.80 0.00 0.00 6.57 8.06 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 90 D 8.24 4.83 0.00 1.72 2.17 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 0.00 91 G 8.79 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 92 C 8.54 5.11 0.00 3.34 3.11 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 0.00 0.00 0.00 93 L 8.90 3.94 0.00 1.87 1.83 0.87 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 94 N 7.77 4.17 0.00 2.99 2.97 0.00 0.00 7.24 6.90 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 95 F 8.00 4.81 0.00 3.23 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 96 V 7.88 4.11 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 0.67 0.00 0.00 0.91 0.00 0.00 97 D 8.15 4.17 0.00 2.50 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 98 E 7.62 3.84 0.00 2.08 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 2.15 2.36 0.00 99 N 7.27 4.50 0.00 2.81 2.91 0.00 0.00 6.78 8.06 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 0.00 100 D 7.92 4.32 0.00 2.64 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 0.00 101 E 8.88 4.03 0.00 1.95 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 0.00 2.28 2.24 0.00 102 V 8.44 3.26 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 0.77 0.00 0.00 0.92 0.00 0.00 103 L 7.35 4.63 0.00 1.69 1.68 1.13 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.09 4.16 0.00 1.65 1.66 0.90 0.76 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 0.00 105 A 6.79 4.81 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 0.00 106 G 8.91 4.54 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 0.00 107 F 8.54 4.95 0.00 3.22 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 0.00 108 G 8.64 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 0.00 0.00 0.00 109 R 8.30 4.08 0.00 1.80 1.86 0.00 3.37 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 110 K 8.97 4.17 0.00 2.05 1.70 0.00 1.95 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.43 7.81 111 G 9.52 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 0.00 112 K 9.26 4.04 0.00 1.94 1.89 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.44 7.81 113 A 7.57 4.40 1.56 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 0.00 114 K 7.96 4.43 0.00 1.81 1.91 0.00 1.38 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.57 1.52 7.81 115 G 8.36 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 0.00 0.00 0.00 0.00 116 D 8.45 4.83 0.00 2.76 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.62 3.51 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 1.27 0.80 0.91 0.00 0.00 *118 P 0.00 4.24 0.00 2.08 1.93 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.65 0.00 119 G 8.21 4.20 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 0.00 *120 V 8.25 4.21 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 0.66 0.00 0.00 0.93 0.00 0.00 *121 R 9.68 4.20 0.00 1.91 1.94 0.00 3.22 0.00 0.00 3.26 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.14 0.00 *122 F 8.94 4.01 0.00 2.29 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 0.00 0.00 0.00 *123 K 9.04 4.68 0.00 1.72 2.29 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.84 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.28 0.92 7.81 *124 V 7.71 3.87 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 0.86 0.00 0.00 0.93 0.00 0.00 *125 V 7.58 3.88 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 0.86 0.00 0.00 0.93 0.00 0.00 *126 K 8.99 3.80 0.00 1.95 1.87 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.26 1.24 7.81 *127 V 7.95 3.78 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 0.65 0.00 0.00 0.93 0.00 0.00 *128 S 8.32 4.95 0.00 3.38 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 0.00 129 G 8.84 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 *130 V 8.67 4.51 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 0.76 0.00 0.00 0.93 0.00 0.00 *131 S 8.76 4.67 0.00 3.62 3.71 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 *132 L 7.97 5.08 0.00 1.74 1.18 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 *133 L 9.01 4.22 0.00 1.56 1.68 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.62 3.97 1.43 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 0.00 0.00 0.00 *135 L 9.39 4.07 0.00 1.67 1.70 0.92 1.05 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 *136 W 7.67 4.45 0.00 2.56 2.32 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 *137 K 8.10 4.27 0.00 1.85 1.76 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.33 7.81 *138 E 8.27 4.41 0.00 1.97 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 1.94 0.00 *139 K 7.63 4.19 0.00 1.84 1.85 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.33 7.81 *140 K 7.78 4.26 0.00 1.82 1.76 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.33 7.81 *141 E 7.98 4.40 0.00 1.82 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 2.24 2.19 0.00 *142 K 8.00 4.19 0.00 1.70 1.86 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.34 7.81 *143 P 0.00 4.67 0.00 2.16 2.00 0.00 3.72 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 1.94 1.65 0.00 *144 R 7.40 4.36 0.00 1.95 1.88 0.00 3.23 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 *145 S 7.73 4.67 0.00 3.73 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 * Residues marked with a * may have inaccurate shift predictions.