NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0316 8.1633 120.7286 55.2237 33.8446 173.9921 2 R 5.0899 9.2661 121.4635 51.4926 33.9221 169.9814 3 V 4.9274 7.7305 119.2247 60.9080 35.2136 172.0603 4 V 4.7720 9.0595 125.1349 61.3864 34.0028 174.3473 5 I 5.0726 8.5660 127.4399 59.6946 40.5668 174.3469 6 Q 5.8598 8.9002 125.6705 52.9425 32.2700 175.1324 7 R 4.4354 8.4691 123.8009 56.7121 31.6175 175.4096 8 V 4.8113 8.7900 117.2573 60.2360 36.0632 175.3529 9 K 4.2088 9.3080 124.4440 58.3964 32.6716 176.8868 10 G 4.5459 7.7263 106.0443 46.1062 0.0000 171.5263 11 A 5.2057 8.1707 119.7327 50.9825 23.3084 175.5594 12 I 4.9464 9.6042 121.4473 59.3684 41.3132 174.3407 13 L 5.1029 9.3996 129.3391 53.7079 44.0737 175.1969 14 S 5.1737 9.4693 123.1478 56.9415 66.1111 173.8463 15 V 4.8262 8.6530 116.9328 59.9568 36.0295 175.9733 16 R 4.3510 8.0081 120.7252 56.7130 29.3447 177.0718 *27 L 4.2727 8.3520 124.1505 53.6621 43.2856 175.9445 28 E 4.7166 8.6908 122.5440 54.2199 31.8889 175.6652 29 I 4.3643 8.4481 127.2295 61.8817 37.6261 175.7370 30 I 4.7429 8.9149 114.9033 60.7166 39.8632 175.5413 31 S 4.7044 7.9171 118.5566 57.3615 67.1982 172.9601 32 E 5.3755 8.8497 123.2161 54.5622 33.0885 175.2490 33 I 4.9413 8.1326 114.1522 57.2591 41.5440 174.6045 34 K 4.6476 8.5054 131.0908 55.8934 30.4541 179.0803 35 N 5.1585 7.7399 127.2071 53.5330 39.6569 172.1918 36 G 4.3536 7.6486 104.8833 44.6554 0.0000 172.8564 37 L 5.4062 8.9142 122.7655 52.9255 46.3370 175.5457 38 I 4.7390 8.5810 121.0626 59.4031 41.4560 174.2118 39 C 5.6280 8.2399 125.0554 56.9919 31.7399 173.0563 40 F 4.9662 8.3611 123.6532 56.6879 40.2477 174.5845 41 L 5.1328 9.0676 125.8738 53.2150 45.1406 174.9928 42 G 4.5039 9.3942 114.1619 44.6400 0.0000 172.0874 43 I 4.9803 8.6529 126.5335 60.4341 38.8622 174.9008 44 H 3.5410 10.0302 130.7974 55.6376 30.3568 176.9031 45 K 3.7632 7.8407 128.6637 57.3286 31.5494 175.2656 46 N 4.9087 8.1105 111.8368 53.1401 38.9840 174.3332 47 D 4.5746 7.9943 120.4250 54.4151 41.3095 176.7444 48 T 4.5175 8.7409 114.8905 60.4003 70.2842 175.4104 49 W 4.4067 9.0863 130.8599 60.7383 30.4647 177.3681 50 E 3.8938 8.0470 117.2347 59.7716 28.7133 179.1192 51 D 4.4006 8.0288 117.2595 57.9569 41.1728 177.8740 52 A 3.8414 8.2825 120.6780 54.1280 18.0029 179.3575 53 L 3.4112 7.2028 114.9568 57.5870 42.0833 179.5344 54 Y 3.7652 7.8894 119.2891 60.9714 38.5974 177.6717 55 I 3.7968 8.3229 121.3615 63.8470 37.1931 177.9909 56 I 3.0508 7.3573 119.7318 64.5821 36.9319 177.7519 57 R 3.7156 8.2637 119.2819 59.8910 29.7765 178.6888 58 K 3.8779 7.8984 117.3852 58.9745 31.6876 179.4374 59 C 4.1760 7.9648 117.0684 62.8326 28.3217 175.6352 60 L 4.1673 7.9876 120.4145 57.9217 41.0983 179.0769 61 N 4.4724 8.1287 113.9413 53.3905 38.9357 175.6782 62 L 3.9398 7.4160 121.7726 55.0656 41.9000 176.6780 63 R 4.7852 8.5864 123.7662 55.5184 29.0212 175.7944 64 L 4.8963 8.6252 121.2276 53.9911 43.8146 176.3519 65 W 4.6389 8.5203 120.4403 54.5078 31.3072 175.4697 66 N 4.6697 8.5942 122.3560 53.5120 38.7085 174.1847 67 N 4.7442 8.9007 121.6182 53.0883 41.7876 172.5932 68 D 4.9773 8.5758 127.0093 55.3556 39.1556 174.8435 69 N 4.7006 8.7210 114.2467 53.0710 39.1190 174.7484 70 K 4.4442 7.7103 119.6926 55.4401 33.3429 175.9383 71 T 4.8142 8.1874 112.0154 60.4331 71.7436 173.7976 72 W 3.6736 7.7562 121.0974 58.3912 27.0927 173.3667 73 D 4.7002 7.9890 116.0716 55.1623 43.6999 175.2935 74 K 4.7011 8.2343 118.6099 54.6356 33.9359 176.1211 75 N 5.7055 9.0174 123.3910 51.0600 40.3120 176.7072 76 V 3.4668 8.0259 120.0022 64.8560 31.1502 178.6897 77 K 3.3154 7.8495 118.6043 59.3247 31.7389 178.0301 78 D 4.2321 8.9508 118.3045 58.2826 40.8679 178.4426 79 L 3.6927 7.3443 119.1012 54.3435 43.0151 176.0953 80 N 4.3519 7.1701 115.8934 54.3812 36.8120 171.3002 81 Y 5.2366 8.0510 116.4550 56.4165 42.5263 176.3531 82 E 4.8698 8.4986 119.9375 55.2848 32.6360 175.3132 83 L 4.9446 8.6125 119.7933 53.0050 45.8673 175.5638 84 L 5.0023 8.4718 125.2335 53.2948 44.5116 174.9195 85 I 4.5319 8.7657 128.1501 59.7465 38.9390 175.3944 86 V 4.3909 8.4503 128.7883 60.7793 33.3981 174.7882 87 S 4.8094 8.7386 123.7619 58.6743 63.1168 173.9623 88 Q 4.3394 9.3323 128.5897 54.5855 30.2022 174.8170 89 F 4.5345 8.5778 121.8162 59.3097 38.6917 177.9892 90 T 3.6862 6.7156 110.7280 63.2452 68.5112 175.8998 91 L 3.9317 7.2797 120.9830 57.5177 41.9284 177.3558 92 F 4.8057 8.7534 117.4244 57.4279 39.2553 175.8972 93 G 3.9428 8.0956 111.6413 45.0865 0.0000 173.7927 94 N 4.6111 8.9518 126.8599 52.8415 39.1317 175.4109 95 T 4.5137 8.4464 116.4074 61.4466 70.3435 175.3821 96 K 3.9745 8.0815 124.8447 56.9801 31.6949 182.5065 97 K 4.4047 8.0013 118.1071 56.8573 34.4016 176.0855 98 G 3.9950 8.9742 109.9630 45.1418 0.0000 172.3271 99 N 4.7113 8.3377 114.3209 52.5306 40.2496 174.9447 100 K 4.2345 7.8054 119.9293 54.1694 32.2878 174.4080 101 P 4.2660 0.0000 0.0000 62.6075 31.9643 175.8291 102 D 4.3067 8.5442 121.3478 52.6728 41.7766 176.3156 103 F 6.0147 7.4390 129.0009 57.2462 39.4695 177.9639 104 H 4.5276 7.5142 116.2747 57.9803 29.2799 177.1875 105 L 3.9820 7.9391 117.6852 55.7234 41.9349 176.4396 106 A 4.3557 7.3216 120.3777 51.3655 19.2234 177.1573 107 K 4.1835 7.9678 121.0935 55.2786 33.4744 176.3820 108 E 3.9512 8.8722 127.0883 56.3668 30.1962 176.1043 109 P 4.7348 0.0000 0.0000 65.5552 31.9138 178.4651 110 N 4.3653 10.5440 116.6500 56.3784 38.5033 177.2951 111 E 4.1386 8.4584 119.7283 59.0857 29.4717 178.8949 112 A 4.1411 8.4719 121.4513 55.3409 18.4500 179.1740 113 L 2.7044 7.4300 117.9912 58.1785 41.8760 179.1993 114 I 3.7953 7.2601 118.3633 63.9786 37.9141 177.4669 115 F 3.6858 8.5919 121.5863 61.2702 39.0331 176.6475 116 Y 4.2229 8.5501 119.5985 61.1610 38.7855 176.5060 117 N 4.1784 8.7881 117.1433 56.9212 38.6804 176.9670 118 K 3.8679 9.3177 120.2478 60.1214 32.3278 179.4316 119 I 3.7494 7.6172 119.4142 64.3781 37.0325 178.5190 120 I 3.8214 7.8039 120.7803 64.6685 36.6500 177.6004 121 D 4.3820 8.2403 119.4637 57.7711 40.8034 178.3799 122 E 3.9909 8.5172 119.0919 59.6951 29.5474 179.1835 123 F 4.0770 8.3445 117.3786 60.7361 37.4887 177.3895 124 K 3.9191 8.3835 117.7704 59.6693 31.7671 179.1103 125 K 4.0203 8.8731 120.1687 59.2711 32.0775 177.4838 126 Q 4.6117 7.8939 115.1861 56.3041 30.5405 174.0662 127 Y 4.7243 8.2693 119.1654 56.5345 42.0458 173.9776 128 N 4.3726 7.4698 110.0441 52.6264 43.3811 174.9492 129 D 4.3478 9.1695 125.5750 57.6389 41.2004 177.3728 130 D 4.4209 7.8951 115.8714 56.2752 41.7161 176.9094 131 K 3.9746 8.2007 118.5741 57.8910 32.3726 176.1107 132 I 4.6878 6.9435 119.6410 59.8803 38.0392 175.5732 133 K 4.8526 9.0758 126.9360 54.5373 35.6717 175.1470 134 I 5.0677 8.1950 115.0135 59.6904 41.4185 174.1048 135 G 4.0769 8.0475 110.4955 44.8474 0.0000 172.8167 136 K 4.4791 8.3761 121.2608 54.3041 32.2746 175.6290 137 F 3.9060 9.0244 128.3847 60.1435 39.4610 174.6509 138 G 3.8962 7.7946 113.8206 46.2701 0.0000 172.2758 139 N 4.9586 7.5101 114.5005 50.4789 39.8913 173.9364 140 Y 3.9606 8.6395 122.5950 58.9535 39.5676 174.9949 141 M 4.9571 7.7849 125.1993 53.3187 35.8998 174.5778 142 N 4.8645 9.1444 119.7544 51.8547 42.1703 173.0717 143 I 5.0016 8.3307 126.1827 59.7214 39.9995 174.6727 144 D 4.6831 9.3235 128.8381 53.6575 42.0775 175.9193 145 V 4.7517 8.3315 122.9853 61.5610 34.2582 176.0014 146 T 4.3603 8.7367 126.3719 61.6914 67.6297 171.2715 147 N 4.6411 8.4316 119.3353 53.7893 39.1441 173.7736 148 D 4.0587 8.8391 125.9049 55.8519 41.8048 174.3759 149 G 3.9294 9.1053 118.7636 44.1750 0.0000 172.9823 150 P 4.6728 0.0000 0.0000 60.3292 33.9408 175.9368 151 V 4.5226 7.8891 117.1631 61.8663 34.5935 173.5504 152 T 5.8049 8.5352 123.4001 60.8827 72.4299 173.4419 153 I 4.7084 8.3216 125.0716 59.8439 41.4375 173.4199 154 Y 5.2640 8.6543 127.1521 55.4584 41.3829 175.0617 155 I 4.3138 6.8888 124.7423 59.9635 41.6712 173.2824 156 D 4.9677 8.4117 128.0455 52.5000 42.3962 176.6304 157 T 3.8018 8.6892 115.1711 63.2249 68.5532 174.7879 158 H 4.6468 8.4338 118.6784 56.5072 29.4159 175.4211 159 D 4.6140 7.8659 118.0154 54.8735 41.3667 176.7052 160 I 3.9939 7.2409 119.8984 60.7851 38.0740 175.5447 161 N 4.5086 8.4913 119.3033 53.5400 38.5894 175.1972 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 8.16 5.03 0.00 1.73 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.27 5.09 0.00 1.43 1.72 0.00 2.21 0.00 0.00 3.05 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.39 0.00 3 V 7.73 4.93 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 1.01 0.00 0.00 4 V 9.06 4.77 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 1.29 0.00 0.00 1.11 0.00 0.00 5 I 8.57 5.07 1.90 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 1.26 0.82 0.93 0.00 0.00 6 Q 8.90 5.86 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.00 0.00 0.00 0.00 0.00 0.00 2.40 2.21 0.00 7 R 8.47 4.44 0.00 1.58 1.76 0.00 2.21 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.57 0.00 8 V 8.79 4.81 2.27 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 0.90 0.00 0.00 1.00 0.00 0.00 9 K 9.31 4.21 0.00 1.62 1.85 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.73 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.41 7.81 10 G 7.73 4.55 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 11 A 8.17 5.21 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 12 I 9.60 4.95 1.88 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 1.12 0.52 0.92 0.00 0.00 13 L 9.40 5.10 0.00 1.63 1.52 0.93 0.81 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 14 S 9.47 5.17 0.00 3.79 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 15 V 8.65 4.83 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 1.02 0.00 0.00 16 R 8.01 4.35 0.00 1.57 1.75 0.00 3.30 0.00 0.00 3.22 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.48 0.00 *27 L 8.35 4.27 0.00 1.52 2.06 0.98 1.11 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 28 E 8.69 4.72 0.00 2.00 1.79 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 2.22 2.41 0.00 29 I 8.45 4.36 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.66 0.94 0.00 0.00 30 I 8.91 4.74 1.89 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 1.28 0.75 0.93 0.00 0.00 31 S 7.92 4.70 0.00 3.75 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 32 E 8.85 5.38 0.00 1.79 1.79 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 2.19 2.26 0.00 33 I 8.13 4.94 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 1.21 1.18 0.93 0.00 0.00 34 K 8.51 4.65 0.00 1.75 1.13 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.53 7.81 35 N 7.74 5.16 0.00 1.44 1.85 0.00 0.00 7.62 7.83 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 36 G 7.65 4.35 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 0.00 37 L 8.91 5.41 0.00 1.67 1.56 1.10 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.58 4.74 1.75 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 0.13 1.42 0.93 0.00 0.00 39 C 8.24 5.63 0.00 2.79 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.36 4.97 0.00 2.99 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 41 L 9.07 5.13 0.00 1.88 1.65 1.17 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 42 G 9.39 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 43 I 8.65 4.98 2.03 0.00 0.00 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 1.58 1.45 0.67 0.00 0.00 44 H 10.03 3.54 0.00 2.81 3.34 0.00 5.63 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.84 3.76 0.00 1.77 1.76 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.34 7.81 46 N 8.11 4.91 0.00 2.71 2.85 0.00 0.00 6.94 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 47 D 7.99 4.57 0.00 2.34 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 48 T 8.74 4.52 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 1.28 0.00 0.00 49 W 9.09 4.41 0.00 3.47 3.23 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 50 E 8.05 3.89 0.00 2.10 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 2.43 2.57 0.00 51 D 8.03 4.40 0.00 3.05 2.89 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 52 A 8.28 3.84 0.43 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 53 L 7.20 3.41 0.00 1.65 1.54 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.89 3.77 0.00 3.09 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 55 I 8.32 3.80 2.03 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.88 1.03 0.00 0.00 56 I 7.36 3.05 1.38 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.43 0.02 0.00 0.00 57 R 8.26 3.72 0.00 1.65 1.85 0.00 2.94 0.00 0.00 3.04 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.54 0.00 58 K 7.90 3.88 0.00 1.91 1.75 0.00 1.63 0.00 0.00 1.46 0.00 0.00 2.72 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.75 1.06 7.81 59 C 7.96 4.18 0.00 3.40 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 60 L 7.99 4.17 0.00 1.67 1.62 0.96 0.69 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 61 N 8.13 4.47 0.00 2.75 2.83 0.00 0.00 7.12 7.73 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 62 L 7.42 3.94 0.00 1.80 1.67 0.99 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.59 4.79 0.00 1.92 2.11 0.00 3.19 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.90 0.00 64 L 8.63 4.90 0.00 0.90 1.49 0.88 1.11 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 65 W 8.52 4.64 0.00 3.42 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 66 N 8.59 4.67 0.00 2.51 2.78 0.00 0.00 6.75 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 67 N 8.90 4.74 0.00 2.69 2.79 0.00 0.00 6.57 7.78 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 68 D 8.58 4.98 0.00 2.86 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 69 N 8.72 4.70 0.00 2.75 2.84 0.00 0.00 6.74 7.61 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 70 K 7.71 4.44 0.00 2.02 1.73 0.00 1.52 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.44 7.81 71 T 8.19 4.81 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 1.19 0.00 0.00 72 W 7.76 3.67 0.00 3.47 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 73 D 7.99 4.70 0.00 2.61 2.64 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 74 K 8.23 4.70 0.00 1.88 1.67 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.57 7.81 75 N 9.02 5.71 0.00 3.32 3.08 0.00 0.00 6.61 7.80 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 76 V 8.03 3.47 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 0.91 0.00 0.00 1.14 0.00 0.00 77 K 7.85 3.32 0.00 1.65 1.55 0.00 1.41 0.00 0.00 1.50 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.30 0.92 7.81 78 D 8.95 4.23 0.00 2.59 2.58 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 79 L 7.34 3.69 0.00 0.27 0.62 0.24 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.17 4.35 0.00 2.70 2.77 0.00 0.00 6.94 8.89 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 81 Y 8.05 5.24 0.00 2.79 2.59 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 82 E 8.50 4.87 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 83 L 8.61 4.94 0.00 1.51 1.31 1.19 0.61 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 84 L 8.47 5.00 0.00 1.71 1.40 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.77 4.53 1.69 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.26 0.83 0.00 0.00 86 V 8.45 4.39 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.88 0.00 0.00 87 S 8.74 4.81 0.00 3.60 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 88 Q 9.33 4.34 0.00 2.25 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 89 F 8.58 4.53 0.00 3.30 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 90 T 6.72 3.69 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 -0.13 0.00 0.00 91 L 7.28 3.93 0.00 1.65 1.44 0.98 0.82 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 92 F 8.75 4.81 0.00 3.38 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 93 G 8.10 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.95 4.61 0.00 2.82 2.81 0.00 0.00 6.41 6.73 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 95 T 8.45 4.51 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 1.24 0.00 0.00 96 K 8.08 3.97 0.00 1.74 1.79 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.28 7.81 97 K 8.00 4.40 0.00 1.76 1.78 0.00 1.38 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.45 7.81 98 G 8.97 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 0.00 0.00 0.00 99 N 8.34 4.71 0.00 2.68 2.82 0.00 0.00 6.84 7.61 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 0.00 100 K 7.81 4.23 0.00 1.68 1.68 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.43 7.81 101 P 0.00 4.27 0.00 1.89 1.98 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 102 D 8.54 4.31 0.00 2.54 2.56 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 0.00 103 F 7.44 6.01 0.00 3.17 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 0.00 104 H 7.51 4.53 0.00 3.24 3.33 0.00 5.65 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 0.00 105 L 7.94 3.98 0.00 1.49 1.42 1.16 1.11 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 0.00 106 A 7.32 4.36 1.40 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 0.00 0.00 0.00 107 K 7.97 4.18 0.00 1.72 1.71 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.32 7.81 108 E 8.87 3.95 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 109 P 0.00 4.73 0.00 2.30 2.27 0.00 3.63 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 110 N 10.54 4.37 0.00 3.18 2.87 0.00 0.00 6.84 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 0.00 111 E 8.46 4.14 0.00 2.07 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 0.00 2.35 2.48 0.00 112 A 8.47 4.14 1.74 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 0.00 0.00 113 L 7.43 2.70 0.00 1.39 1.64 0.36 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.26 3.80 1.89 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 1.43 1.10 1.05 0.00 0.00 115 F 8.59 3.69 0.00 3.40 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 0.00 116 Y 8.55 4.22 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 0.00 117 N 8.79 4.18 0.00 3.06 2.87 0.00 0.00 7.08 7.28 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 0.00 118 K 9.32 3.87 0.00 1.69 1.81 0.00 1.54 0.00 0.00 1.34 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.71 7.81 119 I 7.62 3.75 2.05 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.98 1.08 0.00 0.00 120 I 7.80 3.82 1.91 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 1.11 0.61 0.87 0.00 0.00 121 D 8.24 4.38 0.00 2.96 2.73 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 0.00 122 E 8.52 3.99 0.00 2.49 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 0.00 2.36 2.31 0.00 123 F 8.34 4.08 0.00 3.35 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 K 8.38 3.92 0.00 2.03 2.02 0.00 1.87 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.49 7.81 125 K 8.87 4.02 0.00 1.74 1.93 0.00 1.66 0.00 0.00 1.85 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.59 7.81 126 Q 7.89 4.61 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.56 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 127 Y 8.27 4.72 0.00 2.98 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 0.00 128 N 7.47 4.37 0.00 2.59 1.96 0.00 0.00 7.03 8.37 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 0.00 129 D 9.17 4.35 0.00 2.62 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 0.00 130 D 7.90 4.42 0.00 2.59 2.70 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 0.00 131 K 8.20 3.97 0.00 1.04 1.34 0.00 1.80 0.00 0.00 1.51 0.00 0.00 2.78 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.32 0.34 7.81 132 I 6.94 4.69 1.83 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 1.39 0.97 0.76 0.00 0.00 133 K 9.08 4.85 0.00 1.76 1.63 0.00 1.45 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.36 7.81 134 I 8.20 5.07 2.10 0.00 0.00 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 1.33 0.72 0.92 0.00 0.00 135 G 8.05 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 0.00 136 K 8.38 4.48 0.00 1.83 1.74 0.00 1.80 0.00 0.00 1.91 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.46 7.81 137 F 9.02 3.91 0.00 2.76 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 0.00 138 G 7.79 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 0.00 139 N 7.51 4.96 0.00 2.93 2.75 0.00 0.00 6.76 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 0.00 140 Y 8.64 3.96 0.00 3.17 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 0.00 141 M 7.78 4.96 0.00 1.78 1.73 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.44 0.00 142 N 9.14 4.86 0.00 2.84 2.65 0.00 0.00 7.18 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 0.00 143 I 8.33 5.00 1.93 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 1.37 0.78 0.99 0.00 0.00 144 D 9.32 4.68 0.00 2.56 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.33 4.75 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.02 0.00 0.00 146 T 8.74 4.36 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 0.00 147 N 8.43 4.64 0.00 2.62 2.84 0.00 0.00 7.12 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 0.00 148 D 8.84 4.06 0.00 2.85 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 0.00 149 G 9.11 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 P 0.00 4.67 0.00 2.20 2.09 0.00 3.36 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 1.91 0.00 151 V 7.89 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 1.14 0.00 0.00 0.88 0.00 0.00 152 T 8.54 5.80 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 153 I 8.32 4.71 1.90 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 1.26 1.51 0.92 0.00 0.00 154 Y 8.65 5.26 0.00 2.92 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 0.00 155 I 6.89 4.31 1.77 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 1.30 0.79 0.96 0.00 0.00 156 D 8.41 4.97 0.00 2.93 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 0.00 157 T 8.69 3.80 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 1.22 0.00 0.00 158 H 8.43 4.65 0.00 3.26 3.39 0.00 5.84 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 7.87 4.61 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 0.00 160 I 7.24 3.99 1.64 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 0.95 -0.36 0.73 0.00 0.00 161 N 8.49 4.51 0.00 2.70 2.70 0.00 0.00 6.81 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 * Residues marked with a * may have inaccurate shift predictions.