NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3723 8.3049 118.1999 55.3296 31.5975 175.0618 2 S 4.4412 8.5409 121.4304 56.0333 63.4971 172.8784 3 Q 4.2765 8.6586 126.9585 57.2778 29.5871 176.6468 4 S 4.1718 8.0932 114.3230 61.9488 62.3939 175.8707 5 N 4.5582 8.0816 118.3222 56.0453 38.3769 177.0853 6 R 4.0244 7.5360 117.8560 58.9406 30.2701 177.2304 7 E 4.3017 8.0032 118.3837 58.0090 30.2667 177.4022 8 L 3.7881 7.3511 118.1708 58.2329 41.8505 179.9301 9 V 3.9123 7.9765 117.0386 65.7227 31.2917 177.7657 10 V 3.4626 7.7123 117.7651 64.9966 31.6094 177.1927 11 D 4.3363 7.9292 117.3651 57.3912 40.9659 178.1535 12 F 3.8594 8.2058 120.7158 61.2537 39.4866 176.6592 13 L 3.9790 8.0375 118.5055 58.5323 41.6447 179.7959 14 S 4.3152 8.8021 115.6348 62.0180 62.2824 176.3120 15 Y 3.9381 8.4960 122.1604 59.5525 38.3036 176.7554 16 K 3.5176 7.5865 119.4550 57.0804 32.5720 178.4016 17 L 4.0418 8.2403 120.0980 58.2693 41.5831 179.2630 18 S 4.8601 7.9155 113.9787 60.8631 62.0098 176.0290 19 Q 3.7635 7.1702 121.7527 59.0309 28.8490 176.9100 20 K 4.2421 7.6084 113.2231 56.4664 31.8043 176.8532 21 G 3.7442 8.1937 106.8925 47.3301 0.0000 173.0065 22 Y 4.7397 8.5695 118.8798 55.8582 40.9812 175.2879 23 S 4.1978 8.4810 114.4634 57.0915 64.8784 173.6672 24 W 4.9635 6.9524 116.8714 56.4673 27.9221 176.8847 25 S 4.1861 7.7487 117.8275 62.3092 62.2984 176.5753 26 Q 3.9494 7.9076 115.7165 56.4671 28.7440 176.5108 27 F 5.0352 8.9451 118.6033 55.8256 41.6322 173.5829 *82 P 4.1559 0.0000 0.0000 63.6780 31.0979 176.4905 83 M 4.1616 8.2239 121.5907 56.6095 32.6141 177.4354 84 A 4.1658 7.7878 120.0843 54.2389 19.8842 179.4358 85 A 3.9855 8.1606 118.5799 55.1523 18.5022 179.4869 86 V 3.6014 7.8278 116.3209 66.5645 31.3550 177.9062 87 K 3.6483 7.5714 117.8518 59.7063 31.8793 178.8157 88 Q 3.7949 7.7053 117.6066 58.5029 29.0976 177.7380 89 A 3.9854 8.2174 122.2491 54.5857 18.4653 179.0445 90 L 4.2016 8.1670 118.6920 57.3756 42.3874 178.7237 91 R 3.5581 7.7177 118.8672 59.2247 29.5344 178.2215 92 E 4.3481 8.2936 115.2999 57.6228 30.0563 178.3368 93 A 4.2677 8.1260 122.9147 55.3784 18.4992 179.6728 94 G 3.8015 8.4669 103.8752 48.4541 0.0000 175.9296 95 D 4.5982 8.3668 122.0406 56.8568 40.9705 179.2622 96 E 3.9996 8.3665 119.2274 59.3617 29.8298 178.4187 97 F 4.1579 8.4236 120.6403 61.4744 38.3604 176.8085 98 E 4.2024 8.7078 116.9514 57.7183 29.6718 177.9868 99 L 4.0525 7.7126 117.5206 56.7500 41.7244 177.4179 100 R 4.3640 7.6816 117.0428 58.3204 31.1745 176.5599 101 Y 3.6520 8.0410 117.8101 60.0588 38.3296 178.0397 102 R 4.0710 7.9266 117.5522 55.9686 28.4537 176.8979 103 R 4.4278 7.5915 114.8781 54.6312 29.0717 175.0403 104 A 4.5489 8.2234 125.7030 51.7860 21.3138 175.6326 105 A 4.9268 8.3956 124.7787 52.0410 21.2347 175.9727 106 S 5.2010 7.7498 112.4523 59.9219 67.5506 177.1609 107 D 4.6351 7.9413 118.0417 54.7579 40.6974 176.5156 108 L 4.4993 7.3886 117.3468 56.7492 43.2759 178.4558 109 T 3.9115 8.3134 108.0726 65.2241 68.8987 176.2362 110 S 4.0753 8.7577 116.0551 61.0283 62.3711 174.8889 111 Q 4.2250 7.5534 118.2086 57.2452 28.9934 175.6956 112 L 4.3191 7.7766 118.1192 56.2554 44.2031 176.8071 113 H 4.0235 8.3792 113.8677 55.7509 27.2633 174.8944 114 I 3.6184 7.5682 122.2073 62.6610 38.5474 174.3247 115 T 4.7631 8.4829 116.8827 58.8015 71.5416 172.9095 116 P 4.3266 0.0000 0.0000 64.6020 31.6660 177.7052 117 G 3.8806 7.5798 106.9168 48.4523 0.0000 173.8715 118 T 4.1298 7.9989 117.4987 63.1157 69.0457 174.5199 119 A 4.4369 8.4728 129.1915 51.5888 19.9132 177.3185 120 Y 2.5972 8.6934 120.8163 60.6035 38.6774 178.7509 121 Q 3.8711 7.9473 118.4105 59.4411 28.7932 179.8736 122 S 4.1802 7.7095 115.1607 60.7147 62.9075 176.3453 123 F 4.2088 7.7130 123.1832 61.4024 38.9527 176.3125 124 E 3.6399 7.9967 118.9953 59.6729 29.0300 179.0351 125 Q 3.9297 7.7551 116.4833 58.6322 28.9916 178.6857 126 V 3.6221 7.1655 118.0546 65.9953 31.5747 178.1995 127 V 3.0420 7.4995 118.1765 65.9347 31.2255 177.4741 128 N 4.6545 8.0347 117.5107 55.7631 38.0941 176.7489 129 E 3.8596 7.6618 119.0938 59.5537 29.5617 179.1240 130 L 3.6645 7.4897 118.2141 56.7509 42.2205 178.7144 131 F 4.7646 7.1227 116.4891 56.8986 38.9338 175.7144 132 R 4.5749 7.5071 110.8322 56.2235 30.2789 177.2513 133 D 4.5219 8.0123 114.8419 55.3886 42.7106 176.6846 134 G 3.9405 8.1923 103.7919 45.2450 0.0000 174.3414 135 V 3.3578 7.3856 119.5846 62.9493 31.9364 175.2536 136 N 3.3186 7.2192 121.3797 50.2712 41.0584 175.5499 137 W 4.6553 8.7400 119.7619 60.1237 29.2894 179.0484 138 G 3.8286 8.4766 105.3098 47.8191 0.0000 175.9178 139 R 3.7495 7.9481 119.8943 58.9182 29.9826 178.5815 140 I 3.8682 8.0713 120.2068 64.9538 37.2129 178.5190 141 V 3.6816 8.0326 118.4073 65.8219 31.3205 177.8625 142 A 3.1994 7.5748 120.4301 54.1719 18.1542 179.1586 143 F 4.0251 8.2388 119.6094 61.7977 39.4077 177.4637 144 F 3.6027 7.8307 117.0837 60.1322 38.6424 177.6554 145 S 4.5163 8.2150 112.9458 61.6180 62.1389 176.1123 146 F 4.4329 8.8582 123.8393 61.0918 39.0977 177.3565 147 G 3.5772 8.4006 105.5340 48.1070 0.0000 175.9515 148 G 4.1565 8.8382 109.3410 47.3606 0.0000 175.6762 149 A 4.0124 7.9317 123.8982 54.8401 18.4493 179.0545 150 L 3.6942 7.7235 117.1176 58.7190 41.5921 179.8968 151 C 3.5652 8.0040 115.7965 62.7659 28.1184 176.9437 152 V 3.0394 7.3060 118.6479 66.0233 31.1862 177.7359 153 E 3.8985 8.0797 118.2064 59.6289 29.2272 179.5666 154 S 4.0612 8.3278 115.3943 61.5467 62.7952 177.0704 155 V 3.4617 7.7720 120.9995 66.2092 31.1160 177.7404 156 D 4.1775 8.3766 117.4678 57.4440 40.7086 178.7598 157 K 4.0857 8.3355 117.7981 56.7840 32.4643 176.4810 158 E 3.7859 8.7910 118.2010 58.2759 27.1923 174.0033 159 M 4.7154 8.3600 114.3835 55.1325 33.0016 176.8746 160 Q 4.0304 8.0590 119.8971 58.2865 30.2253 178.0516 161 V 3.5555 7.7358 111.4018 64.3183 31.9817 178.0421 162 L 3.8759 7.7213 119.6556 57.5833 41.2337 179.5108 163 V 3.6950 7.4228 118.3876 63.3391 31.2813 177.7354 164 S 4.3120 7.1401 113.2575 59.8348 63.5554 176.1247 165 R 3.6421 7.3970 123.1859 59.3806 29.7998 177.9971 166 I 2.8933 7.1080 118.7395 64.1746 37.0688 177.6602 167 A 4.0537 7.5745 121.0630 55.6268 18.0809 179.9787 168 S 4.1358 8.4201 113.3157 61.5693 63.0409 176.6113 169 W 4.7042 8.1986 121.1934 60.6804 28.6568 178.3844 170 M 4.7810 8.5218 118.1631 58.5507 31.2949 178.1447 171 A 4.2496 8.1875 120.4557 55.7695 18.4529 179.3440 172 T 4.1025 8.4019 113.0483 67.2357 68.5395 175.6971 173 Y 4.0307 8.8550 122.3336 60.0500 38.8387 177.8225 174 L 3.9010 8.9506 121.6255 58.7940 41.9832 178.9467 175 N 4.4200 9.1076 115.6436 55.3379 38.5002 176.4224 176 D 4.4558 7.8626 118.8914 56.8635 41.9732 177.6912 177 H 4.2818 7.7810 115.0109 57.3061 29.1059 176.7607 178 L 4.1826 7.3378 119.3986 55.8331 42.9862 178.0441 179 E 3.8699 8.3946 119.6490 58.6383 29.1959 176.8713 180 P 4.1571 0.0000 0.0000 65.3785 31.8124 177.3658 181 W 4.2727 7.9159 125.4134 59.1593 31.1081 177.7457 182 I 3.4201 7.7455 120.0424 64.7971 36.3866 178.2677 183 Q 3.9496 7.7625 116.3546 57.8577 28.6418 177.2242 184 E 4.2401 7.3080 117.9697 56.0962 30.3842 175.3239 185 N 4.6632 7.0296 115.3585 53.3973 39.1130 174.7194 186 G 3.7822 8.1199 102.0635 46.0157 0.0000 175.3847 187 G 3.8920 8.1120 109.7946 44.5531 0.0000 175.3443 188 W 4.9617 8.6630 115.4602 58.2394 28.6157 177.5549 189 D 4.5611 8.5448 121.4980 57.3557 40.4158 179.0034 190 T 3.9087 7.6506 114.9159 66.0750 68.3084 176.4672 191 F 3.4052 8.1238 122.5098 61.1011 39.1793 176.6611 192 V 3.3964 7.6503 117.1582 66.4844 31.0846 177.6142 193 D 4.3900 7.7930 116.0001 56.6218 40.6132 177.9966 194 L 3.9757 7.1340 119.4347 56.0381 41.8893 177.0723 195 Y 3.9764 7.6117 117.5111 58.3384 39.3080 176.4814 196 G 4.7919 7.7667 112.0155 45.3357 0.0000 172.9998 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 8.30 4.37 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.65 0.00 2 S 8.54 4.44 0.00 4.02 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 3 Q 8.66 4.28 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.72 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 4 S 8.09 4.17 0.00 3.98 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 5 N 8.08 4.56 0.00 3.11 3.03 0.00 0.00 6.71 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 6 R 7.54 4.02 0.00 1.98 2.03 0.00 3.47 0.00 0.00 3.21 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.85 0.00 7 E 8.00 4.30 0.00 2.25 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 8 L 7.35 3.79 0.00 1.93 1.63 -0.09 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.98 3.91 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 1.19 0.00 0.00 1.23 0.00 0.00 10 V 7.71 3.46 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.87 0.00 0.00 11 D 7.93 4.34 0.00 2.73 2.87 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 12 F 8.21 3.86 0.00 3.06 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 13 L 8.04 3.98 0.00 1.96 1.82 1.05 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.80 4.32 0.00 3.81 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 15 Y 8.50 3.94 0.00 2.81 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 16 K 7.59 3.52 0.00 1.54 1.61 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.46 7.81 17 L 8.24 4.04 0.00 2.05 1.95 1.12 0.61 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 18 S 7.92 4.86 0.00 3.61 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 19 Q 7.17 3.76 0.00 1.51 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.00 0.00 0.00 0.00 0.00 0.00 2.26 2.17 0.00 20 K 7.61 4.24 0.00 2.21 2.05 0.00 1.95 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.67 7.81 21 G 8.19 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 0.00 0.00 0.00 22 Y 8.57 4.74 0.00 2.94 2.93 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 23 S 8.48 4.20 0.00 3.15 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 W 6.95 4.96 0.00 3.56 3.40 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 25 S 7.75 4.19 0.00 3.73 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 26 Q 7.91 3.95 0.00 1.24 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.69 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 27 F 8.95 5.04 0.00 3.15 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 *82 P 0.00 4.16 0.00 2.21 2.07 0.00 3.71 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 2.03 2.10 0.00 83 M 8.22 4.16 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.48 0.00 84 A 7.79 4.17 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 85 A 8.16 3.99 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 86 V 7.83 3.60 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 0.83 0.00 0.00 0.95 0.00 0.00 87 K 7.57 3.65 0.00 1.88 1.72 0.00 1.61 0.00 0.00 1.49 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.37 7.81 88 Q 7.71 3.79 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 89 A 8.22 3.99 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 90 L 8.17 4.20 0.00 1.88 1.80 0.19 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.72 3.56 0.00 1.61 0.97 0.00 2.84 0.00 0.00 2.64 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.08 0.00 92 E 8.29 4.35 0.00 2.25 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 0.00 2.47 2.42 0.00 93 A 8.13 4.27 1.38 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 0.00 0.00 94 G 8.47 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.37 4.60 0.00 3.17 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 96 E 8.37 4.00 0.00 2.20 2.47 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 2.48 2.57 0.00 97 F 8.42 4.16 0.00 3.20 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 98 E 8.71 4.20 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.85 0.00 99 L 7.71 4.05 0.00 1.65 1.77 0.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.68 4.36 0.00 1.89 2.09 0.00 3.37 0.00 0.00 3.35 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 101 Y 8.04 3.65 0.00 2.24 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 R 7.93 4.07 0.00 2.08 2.26 0.00 3.10 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 103 R 7.59 4.43 0.00 2.00 2.18 0.00 3.23 0.00 0.00 3.44 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.83 0.00 104 A 8.22 4.55 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.40 4.93 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 0.00 0.00 0.00 0.00 0.00 0.00 106 S 7.75 5.20 0.00 4.08 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 0.00 107 D 7.94 4.64 0.00 2.73 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 0.00 108 L 7.39 4.50 0.00 2.44 1.98 0.79 -0.13 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 0.00 109 T 8.31 3.91 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 1.18 0.00 0.00 110 S 8.76 4.08 0.00 3.76 4.42 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.55 4.23 0.00 2.51 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.56 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 112 L 7.78 4.32 0.00 1.85 1.76 1.01 1.34 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 0.00 113 H 8.38 4.02 0.00 3.43 3.74 0.00 5.64 0.00 0.00 0.00 0.00 8.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.57 3.62 1.98 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 1.48 0.92 0.92 0.00 0.00 115 T 8.48 4.76 4.27 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 1.26 0.00 0.00 116 P 0.00 4.33 0.00 2.19 2.20 0.00 3.55 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 117 G 7.58 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.00 4.13 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 1.38 0.00 0.00 119 A 8.47 4.44 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 0.00 120 Y 8.69 2.60 0.00 2.53 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 0.00 121 Q 7.95 3.87 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.67 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 122 S 7.71 4.18 0.00 3.82 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 0.00 123 F 7.71 4.21 0.00 2.61 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 0.00 0.00 0.00 0.00 124 E 8.00 3.64 0.00 1.16 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 2.29 2.40 0.00 125 Q 7.76 3.93 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 126 V 7.17 3.62 2.21 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 1.03 0.00 0.00 1.02 0.00 0.00 127 V 7.50 3.04 1.47 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 0.52 0.00 0.00 -0.05 0.00 0.00 128 N 8.03 4.65 0.00 2.93 2.85 0.00 0.00 6.69 7.22 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 0.00 129 E 7.66 3.86 0.00 2.08 1.90 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 2.28 2.30 0.00 130 L 7.49 3.66 0.00 0.65 0.13 0.59 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 131 F 7.12 4.76 0.00 3.02 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 0.00 132 R 7.51 4.57 0.00 1.87 1.95 0.00 2.99 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 133 D 8.01 4.52 0.00 2.59 2.61 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 0.00 134 G 8.19 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 0.00 135 V 7.39 3.36 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 0.00 0.00 -0.48 0.00 0.00 0.36 0.00 0.00 136 N 7.22 3.32 0.00 2.94 2.71 0.00 0.00 6.14 8.88 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 0.00 137 W 8.74 4.66 0.00 3.91 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 0.00 138 G 8.48 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 0.00 139 R 7.95 3.75 0.00 1.90 1.57 0.00 3.14 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 140 I 8.07 3.87 2.32 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.56 1.31 0.00 0.00 141 V 8.03 3.68 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 0.87 0.00 0.00 0.98 0.00 0.00 142 A 7.57 3.20 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 0.00 143 F 8.24 4.03 0.00 3.14 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 0.00 144 F 7.83 3.60 0.00 2.51 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 0.00 0.00 0.00 0.00 145 S 8.22 4.52 0.00 4.04 4.05 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 0.00 146 F 8.86 4.43 0.00 3.07 3.20 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 0.00 147 G 8.40 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.84 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 A 7.93 4.01 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.72 3.69 0.00 1.64 1.59 0.63 0.70 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 0.00 151 C 8.00 3.57 0.00 3.18 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 0.00 152 V 7.31 3.04 2.16 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 0.90 0.00 0.00 0.85 0.00 0.00 153 E 8.08 3.90 0.00 2.14 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 2.32 2.49 0.00 154 S 8.33 4.06 0.00 3.88 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 0.00 155 V 7.77 3.46 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 1.05 0.00 0.00 0.75 0.00 0.00 156 D 8.38 4.18 0.00 2.76 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 0.00 157 K 8.34 4.09 0.00 1.91 1.86 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.61 7.81 158 E 8.79 3.79 0.00 2.08 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 0.00 2.23 2.38 0.00 159 M 8.36 4.72 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 160 Q 8.06 4.03 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.94 6.68 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 161 V 7.74 3.56 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.86 0.00 0.00 162 L 7.72 3.88 0.00 1.66 1.51 0.89 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 163 V 7.42 3.69 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 0.74 0.00 0.00 0.86 0.00 0.00 164 S 7.14 4.31 0.00 4.03 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 R 7.40 3.64 0.00 1.61 1.27 0.00 2.89 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.47 0.00 166 I 7.11 2.89 1.66 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 -0.19 0.85 0.00 0.00 167 A 7.57 4.05 1.61 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 0.00 168 S 8.42 4.14 0.00 4.00 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 0.00 169 W 8.20 4.70 0.00 2.95 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 0.00 0.00 0.00 0.00 170 M 8.52 4.78 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.00 2.20 0.00 171 A 8.19 4.25 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 0.00 172 T 8.40 4.10 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 173 Y 8.86 4.03 0.00 3.79 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 L 8.95 3.90 0.00 2.21 2.05 1.03 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 175 N 9.11 4.42 0.00 2.84 2.88 0.00 0.00 7.03 7.94 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 0.00 176 D 7.86 4.46 0.00 2.51 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 H 7.78 4.28 0.00 2.34 2.64 0.00 5.67 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.34 4.18 0.00 1.67 1.46 -0.14 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 179 E 8.39 3.87 0.00 2.18 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 2.34 2.39 0.00 180 P 0.00 4.16 0.00 2.02 2.09 0.00 3.56 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 181 W 7.92 4.27 0.00 3.22 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 0.00 182 I 7.75 3.42 1.93 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.27 0.26 0.00 0.00 183 Q 7.76 3.95 0.00 1.95 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 184 E 7.31 4.24 0.00 1.92 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 2.10 2.10 0.00 185 N 7.03 4.66 0.00 1.59 2.31 0.00 0.00 6.96 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 0.00 186 G 8.12 3.78 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 0.00 187 G 8.11 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 0.00 188 W 8.66 4.96 0.00 3.59 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 0.00 189 D 8.54 4.56 0.00 2.92 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 0.00 190 T 7.65 3.91 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 1.24 0.00 0.00 191 F 8.12 3.41 0.00 3.10 3.52 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 0.00 192 V 7.65 3.40 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.04 0.00 0.00 193 D 7.79 4.39 0.00 2.62 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 0.00 194 L 7.13 3.98 0.00 1.55 0.94 0.69 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 195 Y 7.61 3.98 0.00 2.34 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 0.00 196 G 7.77 4.79 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.