NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 Q 4.2012 8.3401 121.7116 55.3703 31.1545 174.8202 8 A 4.2037 7.8996 121.7056 49.9730 20.3782 175.2579 9 P 4.4678 0.0000 0.0000 62.0551 33.0047 174.8032 10 I 3.8703 7.9884 112.5848 60.3243 38.1098 175.8808 11 A 3.9682 8.5029 124.8488 52.4966 18.6580 177.7266 12 A 4.2852 8.3739 125.1857 51.9940 19.3204 176.2304 13 Y 4.4477 8.3970 120.8495 56.6769 39.7575 175.8459 14 K 4.2180 7.2575 126.6146 53.2591 32.0599 173.4259 15 P 4.2271 0.0000 0.0000 63.0884 31.5765 177.0234 16 R 4.4557 8.3759 120.2954 55.8348 30.7675 175.8074 17 S 4.5819 7.4060 110.6740 57.1904 65.3302 173.5488 18 N 5.1683 8.5855 119.9466 52.7687 39.1359 174.4034 19 E 4.7892 9.0693 119.9307 55.5100 33.4592 174.1579 20 I 4.7745 8.4336 122.3267 59.6586 39.6262 174.8767 21 L 4.7277 8.9678 127.6872 52.9569 43.4893 175.5018 22 W 5.3559 9.0430 124.7367 55.8262 30.6574 176.5225 23 D 4.8855 9.0032 124.7080 51.9721 41.3252 177.3567 24 G 3.6448 8.9415 106.5499 47.8384 0.0000 173.7095 25 Y 4.3944 8.8552 116.8717 57.5501 38.2830 176.3028 26 G 4.0286 8.5038 107.8214 45.8236 0.0000 173.4548 27 V 4.2708 8.2303 120.4589 61.0239 32.7794 173.0272 28 P 4.0847 0.0000 0.0000 62.2748 32.5527 175.5403 29 H 4.4352 8.5733 121.4560 54.0486 30.0467 172.8349 30 I 4.2863 7.7089 124.1771 60.4755 38.1334 174.8858 31 Y 4.6420 9.1332 125.9247 56.0916 39.2907 175.3026 32 G 4.6405 8.5953 110.4536 44.4313 0.0000 173.8983 33 V 3.8048 9.3313 115.8675 62.9203 32.1644 176.0400 34 D 4.6576 7.5635 119.3620 50.9206 43.6192 175.9474 35 A 4.1616 8.5860 120.6340 55.1389 18.2836 177.7422 36 P 4.3217 0.0000 0.0000 66.0521 31.3345 178.9258 37 S 4.1872 8.7086 113.5824 61.5988 62.7061 176.6718 38 A 4.0469 8.0755 122.9016 55.3520 18.0951 179.7602 39 F 4.2015 8.7635 116.3652 60.6884 38.8943 177.3466 40 Y 4.4288 8.7732 119.6754 60.8890 38.6201 178.4110 41 G 3.7270 8.7649 106.8954 47.9288 0.0000 175.0626 42 Y 4.5122 8.4774 122.1527 60.5944 38.8514 178.2039 43 G 2.6217 8.3963 106.9637 46.9237 0.0000 175.5190 44 W 4.0082 8.2313 130.6443 60.1422 30.6917 177.8166 45 A 4.4434 8.5395 121.0203 55.6709 17.8786 179.6854 46 Q 3.9054 8.2851 116.3503 58.9076 28.7000 178.9475 47 A 3.7350 7.7000 121.9348 54.7295 18.1009 179.5877 48 R 2.6176 6.8872 116.1668 59.4819 30.2366 178.7171 49 S 4.3205 7.9830 113.3599 60.9161 63.2415 175.0424 50 H 4.8603 8.6284 117.8740 54.4904 30.8241 175.4701 51 G 3.7470 8.3043 109.1619 48.2861 0.0000 175.6469 52 D 4.3167 7.9794 120.8542 57.3066 40.8581 178.7617 53 N 4.3421 7.9974 116.1361 55.9541 38.5263 177.6296 54 I 3.4649 7.5313 121.2340 64.2917 37.1212 178.4055 55 L 3.9375 7.8121 119.8363 57.6227 41.3745 179.6229 56 R 3.8361 7.8436 118.5053 59.4087 29.9829 178.6108 57 L 4.1480 8.1643 119.0081 58.1659 41.5001 179.1485 58 Y 4.5004 8.7551 117.3352 61.0511 37.6362 178.8246 59 G 4.0820 8.7853 106.9945 48.0728 0.0000 175.6650 60 E 4.1760 8.6919 120.9094 59.1819 29.3609 179.2758 61 A 4.3565 8.2384 119.5177 54.7523 18.4839 179.2314 62 R 4.1156 7.5951 115.5080 56.9149 30.2532 177.5757 63 G 3.8339 8.2957 107.0189 45.8476 0.0000 173.8912 64 K 4.1447 7.4797 117.0863 55.5949 32.7541 178.8023 65 G 3.6923 8.1627 108.0005 48.0559 0.0000 175.9932 66 A 4.3606 8.0781 123.7960 54.6706 18.1368 179.3930 67 E 3.7531 7.6842 116.3111 59.6665 29.9030 178.2359 68 Y 4.0652 7.4336 115.7606 59.7586 37.8731 176.5711 69 W 4.7418 8.2942 115.6941 55.8097 30.9533 175.8319 70 G 3.9596 8.3395 106.2148 43.5827 0.0000 171.9126 71 P 4.2661 0.0000 0.0000 66.0405 31.2684 178.4383 72 D 4.4622 8.3280 115.7872 56.5750 40.9140 176.4263 73 Y 4.6317 8.4207 115.5380 57.4466 39.1485 177.1340 74 E 4.0354 8.4573 122.9576 59.3531 29.6782 178.7141 75 Q 4.0329 8.0752 117.6875 59.4304 28.7806 178.8646 76 T 4.0900 7.9352 116.2152 66.7641 68.4680 176.8113 77 T 3.8863 7.8757 117.5959 66.7326 68.5385 176.8324 78 V 3.5818 8.0896 120.2701 65.6328 31.3884 177.9030 79 W 4.2621 8.4263 128.1906 60.5576 30.5235 178.0761 80 L 3.5310 8.3594 119.3529 57.3615 40.9693 179.4948 81 L 3.8217 8.0326 119.2059 58.1053 41.3818 179.6359 82 T 3.7114 7.5880 114.3294 66.4094 68.4626 174.8109 83 N 4.3329 7.3893 116.5609 52.0267 38.5664 174.9691 84 G 3.8857 7.9686 106.9944 46.2477 0.0000 176.7963 85 V 3.2924 7.6111 120.2905 64.9847 31.3394 175.2953 86 P 4.1243 0.0000 0.0000 65.9357 31.1071 177.9445 87 E 3.8588 7.9079 118.5867 58.8957 29.6939 178.5376 88 R 3.7482 7.9827 118.5562 59.1073 29.9263 178.3253 89 A 3.8894 7.9471 120.8621 55.1489 18.3278 179.5872 90 Q 3.9978 7.6999 116.5024 59.1083 28.6767 179.1516 91 Q 4.0451 7.9128 118.5215 58.9785 28.6453 178.6999 92 W 4.3964 8.5363 118.9185 59.9761 29.4148 177.6836 93 Y 4.2946 8.6030 119.3740 60.8539 38.1169 178.1136 94 A 3.9829 8.0514 120.1952 54.9477 18.5721 178.8175 95 Q 4.1852 8.0622 114.2564 56.1858 29.2421 176.6396 96 Q 4.2003 6.9765 119.6464 55.2412 29.5900 176.8287 97 S 4.3364 8.3012 115.1594 57.5705 65.3713 173.3826 98 P 4.1749 0.0000 0.0000 66.0194 31.1833 178.5801 99 D 4.3329 8.0505 116.8607 57.6051 40.8838 178.6914 100 F 3.9941 7.9923 121.0779 61.0425 39.2893 177.1586 101 R 3.7937 8.3975 118.6206 59.1491 29.7619 178.3742 102 A 3.9764 7.8146 120.2490 54.8845 18.2761 179.3967 103 N 3.9411 7.2158 113.9279 56.1297 38.4135 177.6728 104 L 3.9945 7.4559 120.4004 57.8294 41.6376 179.3030 105 D 4.5122 8.4779 118.8871 57.3418 40.7119 178.6901 106 A 4.2224 8.1888 121.4438 54.9867 18.5038 179.4929 107 F 4.4199 8.7137 119.0734 61.6496 39.6061 177.2702 108 A 4.1166 8.4899 120.2106 55.1788 18.0886 179.4612 109 A 4.2076 8.5606 119.6301 55.2153 18.4446 180.1141 110 G 2.7482 8.1830 104.4598 47.7024 0.0000 176.0792 111 I 3.5519 7.3773 121.7588 64.1133 37.0172 178.3567 112 N 4.3521 8.2749 117.1900 56.1519 38.3153 177.3689 113 A 4.1085 8.3522 122.5060 55.2633 18.4953 179.0426 114 Y 2.3900 7.7335 117.7565 60.2669 38.5250 178.1862 115 A 3.7487 7.4253 119.8515 54.9565 18.4809 179.1156 116 Q 3.9637 7.8165 117.4387 59.3870 29.3214 177.9116 117 Q 4.1827 7.9147 118.4455 57.3387 30.6367 175.2445 118 N 4.8567 7.6967 116.9127 51.1603 39.1583 173.7169 119 P 4.2801 0.0000 0.0000 65.4450 32.0110 178.8145 120 D 4.3623 7.8548 117.3377 55.6008 39.5838 176.6112 121 D 4.4963 7.8640 118.1478 54.7843 41.1905 175.9740 122 I 4.3701 7.1053 121.4659 59.0914 38.1513 175.6120 123 S 4.1032 9.1354 121.2834 58.0978 62.9305 172.9116 124 P 4.2321 0.0000 0.0000 66.2305 30.8852 178.6203 125 E 4.1814 8.2827 114.8548 58.6099 29.6685 178.5876 126 V 4.5208 7.6788 110.4470 61.3090 32.1071 177.8242 127 R 3.9718 7.8600 120.0027 59.0056 29.6821 178.3452 128 Q 3.9982 7.7732 114.7641 57.7511 28.8836 177.3549 129 V 3.5773 7.3106 118.8765 65.3540 31.8519 176.6452 130 L 4.2010 7.3600 118.9562 53.8795 41.9896 175.0003 131 P 4.7047 0.0000 0.0000 62.3036 32.5898 175.9066 132 V 4.4961 8.9194 113.5462 60.1508 33.4721 175.2720 133 S 4.8252 9.1547 115.7881 55.4752 66.3667 175.2995 134 G 3.8353 8.6585 106.5406 48.1515 0.0000 175.6476 135 A 3.9624 6.8600 122.3875 54.8363 18.2532 179.5016 136 D 4.1212 7.8624 117.7423 57.3545 40.7926 179.0580 137 V 3.1579 7.4992 118.3109 65.8562 31.5243 178.1479 138 V 3.7586 7.8676 117.6695 65.7891 31.3137 177.8478 139 A 3.9543 8.2536 120.9182 55.3858 18.2553 179.0815 140 H 4.1498 8.1633 116.4628 59.4797 29.7866 177.2898 141 A 4.1241 7.6945 120.8584 55.4962 18.2675 178.7890 142 H 4.5759 8.5110 116.2496 59.3620 30.2301 177.2487 143 R 4.1791 8.3616 121.0037 59.2909 30.0056 178.0079 144 L 3.9921 8.2443 116.8430 57.0051 41.7523 177.7446 *146 N 4.5955 8.0166 115.9385 53.0709 40.3848 175.6087 147 F 5.7733 8.1853 114.1846 56.4298 39.5983 175.6854 148 L 4.6847 8.0156 119.0028 56.8604 44.5277 177.6450 149 Y 4.1630 7.9256 115.2972 61.1754 37.9229 177.8804 150 V 3.5900 7.6949 119.0212 64.7370 32.3889 176.6965 151 A 4.6301 8.3503 131.5219 50.3590 18.3116 175.6741 152 S 4.7283 8.1602 116.7771 57.6299 65.8275 173.4509 153 P 2.9700 0.0000 0.0000 65.0992 30.7772 179.0182 154 G 3.4622 7.6210 105.1253 47.8903 0.0000 175.8075 155 R 4.1217 7.3582 119.2644 58.8049 30.0616 179.1284 156 T 4.1787 7.2915 113.8831 66.6321 68.8226 176.8459 157 L 4.2016 7.9811 119.7246 55.7811 41.7803 177.3644 158 G 3.9957 8.3069 112.3669 45.5932 0.0000 173.1037 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 7 Q 8.34 4.20 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 8 A 7.90 4.20 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 9 P 0.00 4.47 0.00 2.06 2.03 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 10 I 7.99 3.87 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.55 0.92 0.00 0.00 11 A 8.50 3.97 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 12 A 8.37 4.29 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 13 Y 8.40 4.45 0.00 2.97 3.01 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 14 K 7.26 4.22 0.00 1.48 1.57 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.22 1.24 7.81 15 P 0.00 4.23 0.00 2.31 2.45 0.00 3.74 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 16 R 8.38 4.46 0.00 1.78 1.96 0.00 3.21 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 17 S 7.41 4.58 0.00 3.93 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 18 N 8.59 5.17 0.00 2.62 2.83 0.00 0.00 6.78 7.66 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 19 E 9.07 4.79 0.00 2.04 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 2.22 2.32 0.00 20 I 8.43 4.77 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.58 -0.07 0.00 0.00 21 L 8.97 4.73 0.00 1.69 1.66 0.77 0.76 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 22 W 9.04 5.36 0.00 3.17 3.22 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 23 D 9.00 4.89 0.00 2.96 3.01 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 24 G 8.94 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.86 4.39 0.00 3.00 3.04 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 26 G 8.50 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 27 V 8.23 4.27 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 0.88 0.00 0.00 1.03 0.00 0.00 28 P 0.00 4.08 0.00 1.40 0.49 0.00 3.74 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.83 0.00 29 H 8.57 4.44 0.00 3.29 3.21 0.00 5.61 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.71 4.29 1.64 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.22 0.92 0.00 0.00 31 Y 9.13 4.64 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 32 G 8.60 4.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 9.33 3.80 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 0.83 0.00 0.00 0.97 0.00 0.00 34 D 7.56 4.66 0.00 3.12 2.77 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 35 A 8.59 4.16 1.52 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 0.00 0.00 36 P 0.00 4.32 0.00 2.21 2.17 0.00 3.87 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.30 0.00 37 S 8.71 4.19 0.00 4.12 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 38 A 8.08 4.05 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 39 F 8.76 4.20 0.00 3.45 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 8.77 4.43 0.00 3.29 3.30 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 41 G 8.76 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 42 Y 8.48 4.51 0.00 3.10 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 43 G 8.40 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 0.00 0.00 0.00 44 W 8.23 4.01 0.00 3.27 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 45 A 8.54 4.44 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 46 Q 8.29 3.91 0.00 1.92 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.23 0.00 47 A 7.70 3.74 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 48 R 6.89 2.62 0.00 1.01 2.07 0.00 3.26 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.42 0.00 49 S 7.98 4.32 0.00 3.92 3.85 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 50 H 8.63 4.86 0.00 3.11 3.14 0.00 5.65 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.30 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 52 D 7.98 4.32 0.00 2.64 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 53 N 8.00 4.34 0.00 2.69 2.81 0.00 0.00 7.07 7.24 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 54 I 7.53 3.46 1.60 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 1.36 0.66 0.12 0.00 0.00 55 L 7.81 3.94 0.00 1.66 1.76 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 56 R 7.84 3.84 0.00 1.72 1.91 0.00 2.63 0.00 0.00 2.85 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.50 0.00 57 L 8.16 4.15 0.00 1.86 1.76 0.91 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 58 Y 8.76 4.50 0.00 3.19 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 59 G 8.79 4.08 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 0.00 0.00 0.00 60 E 8.69 4.18 0.00 2.43 2.22 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 2.81 2.89 0.00 61 A 8.24 4.36 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 62 R 7.60 4.12 0.00 1.92 1.92 0.00 3.34 0.00 0.00 3.27 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.91 0.00 63 G 8.30 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.48 4.14 0.00 0.79 0.74 0.00 1.49 0.00 0.00 1.31 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.02 1.06 7.81 65 G 8.16 3.69 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 0.00 0.00 0.00 66 A 8.08 4.36 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 67 E 7.68 3.75 0.00 1.75 1.66 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 2.23 2.31 0.00 68 Y 7.43 4.07 0.00 1.43 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 69 W 8.29 4.74 0.00 2.71 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 70 G 8.34 3.96 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 0.00 0.00 0.00 71 P 0.00 4.27 0.00 2.24 2.19 0.00 3.70 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 72 D 8.33 4.46 0.00 2.81 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Y 8.42 4.63 0.00 3.38 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 74 E 8.46 4.04 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 75 Q 8.08 4.03 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 76 T 7.94 4.09 4.37 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 1.41 0.00 0.00 77 T 7.88 3.89 4.46 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 1.23 0.00 0.00 78 V 8.09 3.58 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 1.05 0.00 0.00 1.01 0.00 0.00 79 W 8.43 4.26 0.00 3.48 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.36 3.53 0.00 1.63 1.51 1.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.03 3.82 0.00 1.64 1.62 0.86 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 82 T 7.59 3.71 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 1.14 0.00 0.00 83 N 7.39 4.33 0.00 1.63 1.65 0.00 0.00 7.08 7.56 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 84 G 7.97 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.61 3.29 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 0.93 0.00 0.00 0.02 0.00 0.00 86 P 0.00 4.12 0.00 2.21 2.34 0.00 3.57 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 87 E 7.91 3.86 0.00 1.98 1.88 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 2.33 2.32 0.00 88 R 7.98 3.75 0.00 1.79 1.51 0.00 2.60 0.00 0.00 3.04 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.34 0.00 89 A 7.95 3.89 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 90 Q 7.70 4.00 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 91 Q 7.91 4.05 0.00 2.40 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 92 W 8.54 4.40 0.00 3.35 3.27 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 93 Y 8.60 4.29 0.00 3.21 3.28 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 94 A 8.05 3.98 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 95 Q 8.06 4.19 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.88 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 96 Q 6.98 4.20 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.91 0.00 0.00 0.00 0.00 0.00 2.64 2.48 0.00 97 S 8.30 4.34 0.00 4.04 3.96 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 98 P 0.00 4.17 0.00 2.16 2.13 0.00 3.59 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 99 D 8.05 4.33 0.00 2.72 2.74 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 0.00 100 F 7.99 3.99 0.00 3.02 3.02 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 0.00 101 R 8.40 3.79 0.00 1.68 1.78 0.00 2.55 0.00 0.00 2.36 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.23 0.00 102 A 7.81 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 7.22 3.94 0.00 1.59 1.42 0.00 0.00 6.91 6.62 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 0.00 104 L 7.46 3.99 0.00 1.91 1.84 1.10 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 105 D 8.48 4.51 0.00 2.91 2.83 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 0.00 0.00 0.00 106 A 8.19 4.22 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 F 8.71 4.42 0.00 3.52 3.41 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 0.00 108 A 8.49 4.12 1.50 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 0.00 109 A 8.56 4.21 1.68 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 0.00 110 G 8.18 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 0.00 0.00 0.00 111 I 7.38 3.55 1.94 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.51 0.81 0.00 0.00 112 N 8.27 4.35 0.00 2.94 2.90 0.00 0.00 6.92 6.83 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 0.00 113 A 8.35 4.11 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 0.00 0.00 0.00 0.00 0.00 114 Y 7.73 2.39 0.00 1.91 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 0.00 115 A 7.43 3.75 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 0.00 116 Q 7.82 3.96 0.00 2.11 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 117 Q 7.91 4.18 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.11 0.00 0.00 0.00 0.00 0.00 2.70 2.50 0.00 118 N 7.70 4.86 0.00 1.61 2.41 0.00 0.00 6.57 7.55 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 0.00 119 P 0.00 4.28 0.00 2.15 2.24 0.00 3.66 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.90 0.00 120 D 7.85 4.36 0.00 2.76 2.79 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 0.00 121 D 7.86 4.50 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 0.00 122 I 7.11 4.37 1.82 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.75 0.88 0.00 0.00 123 S 9.14 4.10 0.00 4.01 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 0.00 124 P 0.00 4.23 0.00 2.19 2.11 0.00 3.64 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 2.11 2.19 0.00 125 E 8.28 4.18 0.00 1.95 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 2.44 2.45 0.00 126 V 7.68 4.52 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 0.80 0.00 0.00 0.98 0.00 0.00 127 R 7.86 3.97 0.00 1.86 1.93 0.00 3.10 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 128 Q 7.77 4.00 0.00 1.79 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.11 0.00 0.00 0.00 0.00 0.00 1.95 1.20 0.00 129 V 7.31 3.58 2.24 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 1.01 0.00 0.00 1.13 0.00 0.00 130 L 7.36 4.20 0.00 1.71 1.58 0.88 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 131 P 0.00 4.70 0.00 2.20 2.06 0.00 3.75 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 1.98 1.99 0.00 132 V 8.92 4.50 2.33 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 0.92 0.00 0.00 1.11 0.00 0.00 133 S 9.15 4.83 0.00 3.75 3.87 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 0.00 0.00 0.00 134 G 8.66 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 0.00 135 A 6.86 3.96 0.91 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 0.00 136 D 7.86 4.12 0.00 2.76 2.44 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 0.00 137 V 7.50 3.16 2.33 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 1.08 0.00 0.00 1.26 0.00 0.00 138 V 7.87 3.76 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 1.37 0.00 0.00 1.26 0.00 0.00 139 A 8.25 3.95 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 0.00 140 H 8.16 4.15 0.00 3.38 3.36 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 0.00 141 A 7.69 4.12 1.48 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 0.00 142 H 8.51 4.58 0.00 3.13 3.52 0.00 5.96 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 0.00 143 R 8.36 4.18 0.00 1.93 2.14 0.00 3.28 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 144 L 8.24 3.99 0.00 1.78 1.85 0.98 0.85 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 *146 N 8.02 4.60 0.00 2.91 2.48 0.00 0.00 6.88 8.13 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 0.00 147 F 8.19 5.77 0.00 3.19 3.39 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 0.00 148 L 8.02 4.68 0.00 1.73 1.47 0.95 0.91 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 0.00 149 Y 7.93 4.16 0.00 3.11 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 0.00 150 V 7.69 3.59 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 0.75 0.00 0.00 0.96 0.00 0.00 151 A 8.35 4.63 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 0.00 152 S 8.16 4.73 0.00 3.95 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 0.00 153 P 0.00 2.97 0.00 1.52 0.49 0.00 3.43 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.49 0.00 154 G 7.62 3.46 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 0.00 155 R 7.36 4.12 0.00 1.79 2.02 0.00 3.17 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 156 T 7.29 4.18 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 1.46 0.00 0.00 157 L 7.98 4.20 0.00 1.57 1.68 0.82 0.99 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 0.00 158 G 8.31 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 * Residues marked with a * may have inaccurate shift predictions.