NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 5.3094 8.2816 116.2075 58.6707 65.1082 174.8875 3 Q 4.2314 7.7526 119.2017 55.4278 29.6190 175.5657 4 S 4.1397 8.9759 116.5747 61.6752 63.1383 175.6524 5 N 4.4010 8.2548 119.3467 56.3844 38.3999 177.1631 6 R 3.9917 7.9312 119.3735 58.9919 30.0740 177.7391 7 E 3.8846 8.1257 119.5134 59.4387 29.6691 178.7952 8 L 3.9735 7.9381 118.4027 56.9702 41.7703 179.5541 9 V 3.8128 7.7829 118.5299 66.1326 31.4634 178.3320 10 V 2.9456 7.7951 118.0133 65.4366 31.1903 177.3991 11 D 4.2030 7.7132 118.0688 57.3069 41.1110 177.9358 12 F 3.9535 7.9566 120.4569 61.4417 39.3165 177.1557 13 L 4.1730 8.0953 118.5177 57.7148 41.3484 179.5116 14 S 4.3826 8.2421 115.4060 61.8735 62.7484 176.0295 15 Y 3.9533 8.2838 122.3964 60.8261 38.5181 178.5007 16 K 3.8243 7.9913 119.2679 59.2949 32.0595 179.4565 17 L 4.2146 8.3598 119.6349 57.7997 41.4752 179.5659 18 S 4.3147 8.4733 115.4672 61.9568 62.5959 176.3196 19 Q 3.7228 7.5425 120.7119 58.8056 28.6613 178.3162 20 K 4.4883 7.5871 115.3204 55.6057 32.5847 176.8649 21 G 3.7135 8.2611 107.6384 45.9870 0.0000 173.0757 22 Y 4.6620 7.9347 116.6542 55.4622 40.4000 175.6151 23 S 3.9930 8.4538 115.7487 57.9834 63.0670 173.6258 24 W 4.8880 7.5516 120.9853 56.1536 28.5424 177.4388 25 S 4.2084 7.5682 114.6856 61.0041 62.6574 175.5132 26 Q 3.8851 7.9021 119.4014 58.1219 28.5561 176.7021 27 F 4.8078 7.4949 116.2567 57.4392 40.0975 175.5449 28 S 3.8140 8.8313 118.6202 60.1695 60.4947 172.6861 29 D 4.8624 8.0643 117.3914 52.8507 40.0400 174.3173 30 V 4.1860 7.3586 120.1735 64.2955 35.3404 175.9215 *81 I 4.2424 7.7253 118.9603 60.9090 38.9501 176.2431 82 P 4.2260 0.0000 0.0000 65.5071 31.3591 177.0683 83 M 4.3700 7.8566 113.2640 55.1349 31.7675 177.6080 84 A 3.8831 7.8645 123.5478 55.7176 18.3758 180.3613 85 A 3.9299 7.9187 118.8434 55.1324 18.4316 179.9129 86 V 3.5765 7.6306 116.1663 66.1263 31.6763 177.9577 87 K 3.6735 8.0891 118.5455 59.7730 31.9484 179.3253 88 Q 3.8153 8.0252 117.6783 58.7226 28.6511 178.4092 89 A 3.9521 8.1448 121.9927 55.1251 18.3231 179.1535 90 L 3.9383 8.6445 118.9765 58.5649 42.0905 179.0694 91 R 3.6378 7.9892 117.9860 59.4268 29.9009 178.6623 92 E 3.9492 8.6269 117.8556 59.6076 29.4730 179.1977 93 A 4.3600 8.6712 121.1580 55.5112 18.2852 179.9782 94 G 3.9305 8.7571 104.3702 47.9750 0.0000 175.8753 95 D 4.5236 8.3095 121.2711 57.3119 41.0520 178.3705 96 E 4.0128 8.7587 120.2724 59.1543 29.6429 178.4973 97 F 4.2447 8.7717 120.8835 61.7087 39.3728 177.1231 98 E 4.2867 8.7038 116.6352 59.0821 29.2575 178.8544 99 L 4.0775 7.7286 120.0577 57.8472 42.2757 178.3384 100 R 4.1741 7.5025 116.2317 56.6161 30.2428 175.6024 101 Y 4.4482 7.1862 114.7644 56.2297 39.4732 174.5782 102 R 4.1340 7.9352 127.3002 57.6587 30.8516 177.4389 103 R 4.2663 7.6832 118.7607 54.9049 28.6274 176.1313 104 A 4.3229 7.7201 125.4190 53.0186 20.5127 177.8305 105 F 5.2851 7.7227 113.5729 56.8732 40.7231 177.0891 106 S 4.2474 8.5571 119.0414 62.0529 62.5841 176.1256 107 D 4.3464 8.0852 120.6354 57.3146 40.7219 178.2213 108 L 3.9265 8.0745 120.4146 58.5329 42.0061 179.0422 109 T 4.0929 8.9475 109.9311 65.2101 68.5183 176.4204 110 S 4.1406 8.1720 117.1694 61.3080 62.8598 176.6527 111 Q 4.1620 8.4296 120.1963 58.9528 28.6023 178.2799 112 L 4.0166 7.8010 119.7450 57.7952 43.2940 176.9198 113 H 4.0764 9.0180 115.8535 56.4152 28.4262 174.9033 114 I 3.9434 7.6658 112.0471 61.9874 38.3191 175.3434 115 T 4.6852 8.2210 111.4154 59.8878 71.7157 172.7240 116 P 4.4563 0.0000 0.0000 63.9875 31.1463 177.4660 117 G 3.9924 7.8364 106.9172 45.8566 0.0000 174.7743 118 T 3.9925 8.0764 117.3263 63.7215 69.1657 173.5732 119 A 4.9834 8.2872 127.4830 50.2346 22.0555 176.6826 120 Y 2.8100 8.6029 120.0163 60.9461 38.4552 178.8369 121 Q 3.8112 7.9815 117.9319 59.2015 28.8111 179.1097 122 S 4.0509 7.9502 116.0564 61.1672 62.7281 176.3375 123 F 4.0058 7.6370 122.9905 61.1772 39.0772 176.2653 124 E 3.7401 7.9784 119.0533 59.4852 29.0852 178.8974 125 Q 3.8696 7.6532 116.3236 59.1224 29.1145 178.9270 126 V 3.5631 7.6640 119.1041 65.7999 31.4988 178.1152 127 V 3.0433 7.8966 118.4660 65.8475 31.2222 177.6010 128 N 4.5657 8.3574 116.4215 56.2938 38.0566 176.8851 129 E 3.8945 7.7316 119.3493 59.4071 29.5135 179.0574 130 L 3.8379 7.7231 118.5690 56.4737 41.7030 178.3389 131 F 4.8365 7.3360 116.5867 57.1999 39.5717 177.9497 132 R 4.2199 8.0928 120.3295 58.7866 29.9523 177.1677 133 D 4.7807 8.0534 116.2780 53.6731 41.5282 177.0386 134 G 3.9453 8.4370 104.7254 45.0244 0.0000 174.1509 135 V 3.4915 7.3694 118.2298 62.4491 32.1245 175.2274 136 N 4.6555 7.4167 121.6133 50.3158 44.1261 175.9705 137 W 4.7084 8.7763 121.2808 60.0699 29.3497 178.9778 138 G 4.0896 8.7076 105.3147 48.4289 0.0000 175.6842 139 R 3.9453 8.0289 119.7236 58.6466 29.9919 179.0150 140 I 4.0417 8.0439 120.0622 64.2928 37.0950 178.5817 141 V 3.7254 8.2927 119.1476 65.8834 31.3891 177.9544 142 A 3.3350 8.1010 120.7349 54.6398 18.1402 179.3014 143 F 3.9247 8.3028 119.2067 61.5561 39.4697 177.3551 144 F 3.4352 7.6846 117.2024 60.3781 38.4860 177.8058 145 S 4.5207 8.0548 114.7036 61.7103 62.7351 176.4003 146 F 3.6782 8.4952 123.7007 61.1402 38.9157 177.4085 147 G 3.5023 7.9411 105.2936 47.5612 0.0000 175.8205 148 G 3.8107 8.3632 108.0363 47.7434 0.0000 175.6996 149 A 4.1351 8.5186 123.7857 54.6064 18.2457 179.8295 150 L 3.7957 7.6803 117.7491 58.1215 41.7053 179.3654 151 C 4.0139 8.1407 116.7450 62.6425 27.9372 176.3282 152 V 3.1203 7.7424 119.7634 65.9387 31.2079 177.7033 153 E 3.8745 8.3114 119.1501 59.2565 29.3496 178.9410 154 S 4.0500 8.2206 115.4657 61.6402 62.8435 176.8622 155 V 3.4796 7.5980 120.8033 66.0772 30.9940 177.8072 156 D 4.4338 8.0978 117.7289 56.5370 40.6273 177.7921 157 K 4.3431 7.4664 116.5486 55.0074 32.8218 176.1606 158 E 3.8898 8.3533 117.7101 58.3012 27.6741 174.3853 159 M 4.8707 7.9960 113.0941 54.4887 33.4831 178.2201 160 Q 3.9656 8.1009 118.1924 59.0200 29.2535 179.0987 161 V 3.5088 7.8946 112.1769 64.4615 31.8265 178.1124 162 L 3.5993 7.8638 119.4485 57.4091 41.1591 179.6996 163 V 3.4811 7.4744 118.7781 65.9270 31.4791 178.0047 164 S 4.4137 7.4333 113.0594 60.6186 62.9731 176.5289 165 R 3.4903 7.4300 122.4478 59.3242 29.8355 178.0570 166 I 3.2827 7.6026 119.7563 64.3137 37.0273 178.2493 167 A 4.0227 7.8964 121.1070 55.1500 18.1757 179.9036 168 S 4.0915 7.8486 113.1187 61.5815 62.9372 176.7207 169 W 4.5526 8.2129 121.7029 60.3702 28.6983 178.5327 170 M 4.5830 8.4397 118.2393 58.5586 31.4222 178.7304 171 A 4.1484 8.3770 120.9677 55.4041 18.4559 179.6239 172 T 3.8031 8.4832 114.6937 67.1658 68.5909 176.0952 173 Y 4.0462 8.9033 121.6436 60.7019 38.7970 177.9082 174 L 3.8784 8.6359 121.6095 58.1935 42.2113 178.8105 175 N 4.3499 8.4112 116.4562 56.4308 38.2725 177.1067 176 D 4.1513 8.0538 119.3160 57.3319 41.1140 177.9076 177 H 4.4079 7.6345 114.6150 56.4292 29.5978 176.6702 178 L 4.1464 7.2940 119.8250 55.9436 42.7601 177.7798 179 E 3.8541 8.2295 119.5774 59.0514 29.4628 177.1402 180 P 4.1786 0.0000 0.0000 65.4926 31.4394 178.3710 181 W 4.0276 7.9890 126.5223 60.1509 30.6656 178.1297 182 I 3.3981 7.8565 119.8977 64.3014 36.4235 178.0400 183 Q 3.9001 8.3950 119.2206 59.3164 28.4152 179.2458 184 E 3.9827 7.8878 118.1009 58.0269 29.5904 176.8123 185 N 4.5401 7.1427 115.6558 53.1686 38.8998 175.3858 186 G 4.4337 7.2745 103.7291 45.4105 0.0000 175.9821 187 G 3.9429 8.6224 110.7392 44.5102 0.0000 174.5547 188 W 4.7008 8.5761 116.8662 58.8893 28.8183 178.2572 189 D 4.4714 8.3312 119.4915 57.8005 40.3897 178.5393 190 T 3.8355 7.8915 115.8743 66.3455 68.4186 176.5001 191 F 3.2832 7.8216 122.0495 60.9721 39.4490 176.9063 192 V 3.4577 8.1679 118.1225 66.2992 31.0615 177.3134 193 D 4.3199 7.8174 116.9617 57.7335 40.8035 178.8558 194 L 4.0601 7.4320 117.0849 56.3450 41.8809 177.7897 195 Y 4.4505 7.5371 114.0403 57.5990 39.7546 175.9066 196 G 3.6927 8.6343 114.3738 45.6691 0.0000 173.3748 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 S 8.28 5.31 0.00 3.92 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 3 Q 7.75 4.23 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 4 S 8.98 4.14 0.00 4.06 4.15 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 5 N 8.25 4.40 0.00 3.09 3.09 0.00 0.00 6.79 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 7.93 3.99 0.00 1.91 2.06 0.00 3.22 0.00 0.00 3.28 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 7 E 8.13 3.88 0.00 2.23 1.93 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 2.27 2.35 0.00 8 L 7.94 3.97 0.00 1.87 1.61 -0.09 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.78 3.81 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.17 0.00 0.00 10 V 7.80 2.95 1.91 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 0.68 0.00 0.00 0.69 0.00 0.00 11 D 7.71 4.20 0.00 2.80 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 12 F 7.96 3.95 0.00 3.07 3.09 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 0.00 0.00 0.00 0.00 13 L 8.10 4.17 0.00 1.62 1.95 0.99 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.24 4.38 0.00 4.10 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 8.28 3.95 0.00 2.91 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 16 K 7.99 3.82 0.00 1.79 1.86 0.00 1.93 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.04 1.46 7.81 17 L 8.36 4.21 0.00 2.08 1.98 1.13 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.47 4.31 0.00 3.58 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 19 Q 7.54 3.72 0.00 1.70 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.86 0.00 0.00 0.00 0.00 0.00 2.27 2.18 0.00 20 K 7.59 4.49 0.00 2.19 1.98 0.00 2.16 0.00 0.00 1.89 0.00 0.00 3.16 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.47 7.81 21 G 8.26 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 0.00 0.00 0.00 22 Y 7.93 4.66 0.00 3.12 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.45 3.99 0.00 3.60 3.63 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 24 W 7.55 4.89 0.00 3.68 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 S 7.57 4.21 0.00 3.90 3.72 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 26 Q 7.90 3.89 0.00 1.44 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.86 0.00 0.00 0.00 0.00 0.00 2.15 2.29 0.00 27 F 7.49 4.81 0.00 3.16 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.83 3.81 0.00 4.12 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 29 D 8.06 4.86 0.00 2.75 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 30 V 7.36 4.19 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 0.90 0.00 0.00 0.95 0.00 0.00 *81 I 7.73 4.24 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.68 0.90 0.00 0.00 82 P 0.00 4.23 0.00 2.04 2.11 0.00 3.64 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 2.02 2.07 0.00 83 M 7.86 4.37 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 84 A 7.86 3.88 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 85 A 7.92 3.93 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 86 V 7.63 3.58 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 0.41 0.00 0.00 0.93 0.00 0.00 87 K 8.09 3.67 0.00 1.90 1.87 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.60 7.81 88 Q 8.03 3.82 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 89 A 8.14 3.95 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 90 L 8.64 3.94 0.00 1.70 1.63 0.32 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.99 3.64 0.00 1.76 1.29 0.00 3.04 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 0.50 1.22 0.00 92 E 8.63 3.95 0.00 2.15 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 2.35 2.48 0.00 93 A 8.67 4.36 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 8.76 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 95 D 8.31 4.52 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 96 E 8.76 4.01 0.00 2.17 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 0.00 2.40 2.42 0.00 97 F 8.77 4.24 0.00 3.39 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.70 4.29 0.00 2.16 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 0.00 2.70 2.91 0.00 99 L 7.73 4.08 0.00 2.03 1.67 0.97 0.92 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 0.00 100 R 7.50 4.17 0.00 1.73 1.50 0.00 3.08 0.00 0.00 3.06 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.33 0.00 101 Y 7.19 4.45 0.00 2.38 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.94 4.13 0.00 1.76 1.79 0.00 3.24 0.00 0.00 3.30 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 103 R 7.68 4.27 0.00 1.98 1.97 0.00 3.08 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 104 A 7.72 4.32 0.76 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 0.00 0.00 105 F 7.72 5.29 0.00 3.30 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 0.00 106 S 8.56 4.25 0.00 3.91 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 D 8.09 4.35 0.00 2.78 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 0.00 108 L 8.07 3.93 0.00 1.84 1.69 0.78 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 109 T 8.95 4.09 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 110 S 8.17 4.14 0.00 4.08 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 0.00 111 Q 8.43 4.16 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 112 L 7.80 4.02 0.00 1.99 1.96 1.23 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 113 H 9.02 4.08 0.00 3.46 3.33 0.00 5.83 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.67 3.94 1.94 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 1.52 0.66 1.13 0.00 0.00 115 T 8.22 4.69 4.26 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 1.22 0.00 0.00 116 P 0.00 4.46 0.00 2.06 2.12 0.00 3.67 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 2.01 2.05 0.00 117 G 7.84 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 0.00 118 T 8.08 3.99 4.66 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 1.47 0.00 0.00 119 A 8.29 4.98 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 0.00 120 Y 8.60 2.81 0.00 2.76 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 0.00 121 Q 7.98 3.81 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 122 S 7.95 4.05 0.00 3.86 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 0.00 123 F 7.64 4.01 0.00 2.72 2.42 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 0.00 124 E 7.98 3.74 0.00 1.35 1.73 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 2.25 2.46 0.00 125 Q 7.65 3.87 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 126 V 7.66 3.56 1.96 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 0.85 0.00 0.00 0.91 0.00 0.00 127 V 7.90 3.04 1.13 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 0.48 0.00 0.00 -0.12 0.00 0.00 128 N 8.36 4.57 0.00 2.90 2.84 0.00 0.00 6.96 7.82 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 0.00 129 E 7.73 3.89 0.00 1.97 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 130 L 7.72 3.84 0.00 0.84 0.37 0.65 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 131 F 7.34 4.84 0.00 3.04 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 0.00 132 R 8.09 4.22 0.00 1.73 1.97 0.00 3.11 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 133 D 8.05 4.78 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 8.44 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 0.00 0.00 0.00 135 V 7.37 3.49 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 -0.67 0.00 0.00 0.34 0.00 0.00 136 N 7.42 4.66 0.00 2.62 2.82 0.00 0.00 7.11 7.68 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 0.00 137 W 8.78 4.71 0.00 3.79 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 0.00 138 G 8.71 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.03 3.95 0.00 1.86 1.52 0.00 3.05 0.00 0.00 3.36 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 140 I 8.04 4.04 2.27 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.64 1.29 0.00 0.00 141 V 8.29 3.73 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.04 0.00 0.00 142 A 8.10 3.33 1.30 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 0.00 0.00 143 F 8.30 3.92 0.00 3.21 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 0.00 144 F 7.68 3.44 0.00 2.50 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 S 8.05 4.52 0.00 4.43 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 0.00 146 F 8.50 3.68 0.00 1.82 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 0.00 147 G 7.94 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 0.00 0.00 0.00 148 G 8.36 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 A 8.52 4.14 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.68 3.80 0.00 1.71 1.60 0.62 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 151 C 8.14 4.01 0.00 3.12 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 0.00 152 V 7.74 3.12 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 1.00 0.00 0.00 0.94 0.00 0.00 153 E 8.31 3.87 0.00 2.05 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 0.00 2.30 2.35 0.00 154 S 8.22 4.05 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 0.00 155 V 7.60 3.48 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 1.11 0.00 0.00 0.73 0.00 0.00 156 D 8.10 4.43 0.00 2.67 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 0.00 157 K 7.47 4.34 0.00 1.86 1.82 0.00 1.95 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.57 7.81 158 E 8.35 3.89 0.00 2.08 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 0.00 2.25 2.40 0.00 159 M 8.00 4.87 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.41 0.00 160 Q 8.10 3.97 0.00 2.07 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.79 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.26 0.00 161 V 7.89 3.51 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 0.75 0.00 0.00 0.86 0.00 0.00 162 L 7.86 3.60 0.00 1.63 1.53 0.88 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 163 V 7.47 3.48 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.79 0.00 0.00 164 S 7.43 4.41 0.00 4.14 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 0.00 165 R 7.43 3.49 0.00 1.54 1.52 0.00 2.68 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.05 0.00 166 I 7.60 3.28 1.92 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.17 0.84 0.00 0.00 167 A 7.90 4.02 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 0.00 168 S 7.85 4.09 0.00 4.02 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 0.00 169 W 8.21 4.55 0.00 3.11 2.42 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 0.00 170 M 8.44 4.58 0.00 2.12 2.38 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 2.70 2.27 0.00 171 A 8.38 4.15 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 0.00 172 T 8.48 3.80 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 173 Y 8.90 4.05 0.00 3.67 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 8.64 3.88 0.00 1.98 2.10 1.17 1.22 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 0.00 175 N 8.41 4.35 0.00 3.02 2.84 0.00 0.00 7.05 7.69 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 0.00 176 D 8.05 4.15 0.00 2.26 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 0.00 177 H 7.63 4.41 0.00 2.31 2.82 0.00 5.63 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.29 4.15 0.00 1.70 1.48 -0.07 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 179 E 8.23 3.85 0.00 2.23 1.93 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 2.35 2.42 0.00 180 P 0.00 4.18 0.00 2.15 2.04 0.00 3.44 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 181 W 7.99 4.03 0.00 3.21 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 0.00 182 I 7.86 3.40 1.73 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.40 0.34 0.00 0.00 183 Q 8.40 3.90 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 184 E 7.89 3.98 0.00 1.87 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 185 N 7.14 4.54 0.00 1.44 2.12 0.00 0.00 7.25 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 0.00 186 G 7.27 4.43 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 0.00 187 G 8.62 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 0.00 188 W 8.58 4.70 0.00 3.50 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 0.00 189 D 8.33 4.47 0.00 2.99 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 0.00 190 T 7.89 3.84 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 1.33 0.00 0.00 191 F 7.82 3.28 0.00 2.84 3.53 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 0.00 192 V 8.17 3.46 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.13 0.00 0.00 193 D 7.82 4.32 0.00 2.77 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 0.00 194 L 7.43 4.06 0.00 1.50 1.25 0.74 0.73 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 0.00 195 Y 7.54 4.45 0.00 2.19 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 0.00 196 G 8.63 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 * Residues marked with a * may have inaccurate shift predictions.