NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 3.9568 0.0000 0.0000 61.8893 33.0817 174.8411 2 L 5.1600 8.1145 121.7457 51.6233 45.1765 173.1525 3 R 4.6446 9.5104 119.6540 56.8208 33.8605 177.6114 *5 G 3.7197 9.1131 106.2795 46.0115 0.0000 172.3608 6 G 4.0478 8.8570 107.7342 46.0887 0.0000 173.7187 7 N 4.9403 7.8186 117.4509 52.9873 37.7113 174.4146 8 G 4.0843 8.2738 103.1154 47.4821 0.0000 172.9708 9 Q 4.7324 7.8902 119.1373 53.5675 31.0486 174.9186 10 L 4.4176 8.4282 128.2039 55.0800 43.0591 175.6443 11 Q 4.8154 9.4349 127.4395 54.4990 31.9134 173.1963 12 Y 5.1259 8.8235 127.3538 55.9454 40.4948 174.4756 13 W 5.0978 7.4052 122.0299 54.1771 31.3945 173.1797 14 P 4.0973 0.0000 0.0000 61.7746 31.6468 176.4451 15 F 4.1859 8.0634 119.1985 57.6183 39.5373 176.0081 16 S 4.3502 8.6783 118.8397 58.1192 63.9546 175.5673 17 S 3.9233 8.6446 123.7214 61.4465 62.7844 176.7362 18 S 4.1109 8.0394 118.3754 61.5707 62.4798 176.2321 19 D 3.5970 7.6299 120.7459 56.9545 40.5095 178.5883 20 L 3.4909 6.7352 118.8901 58.0009 41.5091 179.3896 21 Y 4.3092 7.6757 116.7707 60.9905 37.7652 178.1122 22 N 4.3539 8.2588 117.8120 56.1056 38.3853 177.4653 23 W 4.4567 7.8069 119.6696 59.6532 29.1975 178.2151 24 K 4.1883 8.2482 119.6731 59.7086 31.5039 178.6702 25 N 4.5024 8.5609 115.7174 55.3707 38.5272 176.1508 26 N 4.8893 7.8519 115.9085 52.1850 39.1709 174.2218 27 N 5.1102 7.2234 116.9803 50.6453 42.6547 172.4655 28 P 4.5536 0.0000 0.0000 61.8567 32.4339 177.0213 29 S 4.4528 8.8038 115.1538 58.1716 64.4481 175.1136 30 F 4.1957 8.7762 124.1445 61.7313 38.9082 177.5176 31 S 4.0972 8.1844 113.8844 61.4589 62.6573 176.1987 32 E 4.2819 7.9435 120.7552 58.4971 30.5803 177.2359 33 D 4.5459 7.8926 117.5244 51.4499 43.1606 173.3552 34 P 3.9191 0.0000 0.0000 64.0744 31.4176 177.8852 35 G 3.6741 7.9525 104.1297 47.6947 0.0000 175.6427 36 K 3.9920 7.9135 120.1515 59.5072 32.1717 179.5841 37 L 4.0853 7.9106 118.5657 57.8302 41.5253 179.7436 38 T 3.8948 8.1376 115.8354 66.6437 68.4718 176.5086 39 A 3.9781 8.0962 122.6777 54.8956 18.2727 179.5092 40 L 3.6870 7.8764 118.8302 58.4131 42.2363 179.3501 41 I 3.4559 7.9813 120.2088 64.0121 37.1148 177.8358 42 E 3.8659 8.4400 120.7244 59.3916 29.3194 178.9857 43 S 4.1071 7.8519 112.7655 61.4822 62.4522 176.2292 44 V 3.6104 7.6156 122.3886 65.4034 31.2598 177.7284 45 L 3.9811 8.4006 119.0731 57.9638 41.4735 179.7025 46 T 4.1355 7.4476 114.3896 66.6200 68.5122 177.3732 47 T 4.0525 8.3266 112.0369 64.4890 68.8283 175.2693 48 H 4.6190 8.6855 116.9950 54.6131 30.2972 174.5284 49 Q 3.6621 7.7952 118.0026 55.0218 26.5527 172.7227 50 P 4.3172 0.0000 0.0000 62.6799 32.6050 177.6706 51 T 4.3743 8.8202 112.3324 60.7735 71.2104 175.3853 52 W 3.8661 8.7959 129.2440 60.8086 30.5205 177.3839 53 D 4.3468 8.3405 118.2923 57.4259 40.3391 178.2314 54 D 4.4813 8.1472 119.3824 57.7062 40.7366 178.6532 55 C 4.2406 8.3477 117.3373 62.9823 28.0506 176.2419 56 Q 3.7370 7.5808 119.5694 58.8002 28.3070 178.8693 57 Q 3.9380 8.0712 119.0659 58.7707 28.8257 178.4041 58 L 3.7492 8.3465 121.6131 58.3373 42.1094 179.1200 59 L 4.0296 8.2071 119.2003 57.6916 41.3295 179.8241 60 G 3.5629 8.2528 105.0871 47.5772 0.0000 175.3922 61 T 4.2030 7.5008 116.6604 65.8560 69.0064 176.6102 62 L 4.3244 7.8306 118.7347 54.6912 42.3686 176.7928 63 L 4.9237 7.2465 118.2495 52.5025 44.4686 176.8838 64 T 4.3584 8.9409 113.3246 60.9276 70.9676 176.0603 65 G 3.6490 8.5218 107.1299 48.1675 0.0000 175.6581 66 E 3.9987 8.1184 120.7188 58.9252 29.5724 179.1066 67 E 3.9715 8.0758 118.2069 59.2865 29.5256 179.1959 68 K 3.7629 8.2647 119.9215 59.6871 32.2690 178.4672 69 Q 3.9435 8.2679 119.8483 59.1563 28.8759 178.3010 70 R 3.8848 7.9867 119.7794 59.2778 30.0554 178.6961 71 V 3.5030 7.7881 117.9962 66.0802 31.5761 178.0724 72 L 3.9864 8.1285 118.8779 57.5963 41.2916 179.4642 73 L 3.9848 8.0354 119.0011 58.0335 41.3959 179.5417 74 E 3.9275 8.1059 116.8892 59.0536 29.6234 178.9377 75 A 3.8729 7.9599 121.2516 55.1167 18.0653 179.9671 76 R 3.8610 7.4517 115.2343 58.8788 30.1903 178.8492 77 K 4.1999 7.5544 116.6305 57.6017 32.1451 177.3507 78 A 4.5687 7.2286 121.2977 51.6083 19.3839 176.9933 79 V 3.8961 7.4892 118.4523 63.7281 32.3378 175.3676 80 R 4.9677 8.3480 124.1163 54.3204 33.2216 175.8989 81 G 4.0315 8.7004 109.8837 44.3209 0.0000 174.3707 82 N 4.4703 8.6014 115.7307 55.1657 38.4475 175.8237 83 D 4.5027 8.0564 116.4416 53.1610 40.1396 177.1573 84 G 3.8943 8.2994 108.2660 45.9320 0.0000 173.4184 85 R 4.7103 8.0788 117.9829 52.8890 32.9219 173.9107 86 P 4.7328 0.0000 0.0000 63.4448 31.9011 176.0067 87 T 4.6980 8.3600 115.0447 60.8553 70.4159 173.4959 88 Q 4.6022 8.5069 124.3168 55.2329 29.9993 176.0409 89 L 4.0826 7.8903 120.3893 54.2233 42.3940 175.7924 90 P 4.2988 0.0000 0.0000 65.9251 31.3938 178.3008 91 N 4.4675 8.1284 115.0984 56.1051 37.4278 177.0290 92 E 4.0880 8.1525 120.4289 58.7669 29.5996 179.2752 93 V 3.6712 8.2530 118.8452 66.3242 31.4955 177.9778 94 D 4.4339 8.5052 117.3208 57.2456 40.6655 178.3624 95 A 4.2531 7.9899 120.5227 54.8177 18.4701 179.0280 96 A 4.5966 8.0458 118.1419 53.6562 20.3665 177.7696 97 F 5.0887 8.4998 118.2485 55.7379 39.4693 171.9800 98 P 4.4699 0.0000 0.0000 62.5634 32.1125 177.5638 99 L 4.5399 8.5390 120.2247 55.8361 42.3559 176.5346 100 E 4.7343 7.6146 116.7951 53.5654 32.2093 175.5457 101 R 2.0000 7.9652 121.2536 55.5351 30.1251 174.8312 102 P 3.9496 0.0000 0.0000 61.7123 32.2756 174.9192 103 D 4.5764 7.8963 116.1487 52.9633 39.4151 176.4637 104 W 4.2928 7.6639 119.8736 57.7369 29.4266 174.8513 105 D 4.7133 8.6443 123.0766 52.3086 41.4183 176.0207 106 Y 4.3946 8.2936 125.2855 58.8150 38.1361 176.7108 107 T 4.2560 8.6626 111.3925 62.7469 69.8024 175.2700 108 T 4.5787 7.6529 114.1191 60.1762 72.1187 175.2823 109 Q 3.9617 8.4156 122.9839 59.3991 29.1564 178.7416 110 R 3.9460 7.9938 118.8545 59.0896 30.1736 179.1158 111 G 3.4842 8.0734 105.4502 47.8378 0.0000 175.9106 112 R 3.9682 7.9527 120.9037 59.0709 30.1841 178.9501 113 N 4.2767 8.3939 116.5231 56.6292 38.4193 177.1980 114 H 3.7242 7.9619 117.6112 58.4803 28.4034 177.9332 115 L 4.0173 7.5617 120.8319 57.6433 41.4716 179.5090 116 V 3.5954 7.8008 118.2227 65.9911 31.3595 177.8648 117 L 4.2287 7.7405 121.0423 57.8006 41.9377 178.1170 118 Y 4.3405 8.4315 119.8823 61.1096 38.7877 178.4974 119 R 4.0251 8.5620 119.0641 59.2690 29.6066 179.0730 120 Q 4.0265 8.1962 117.9661 59.0600 28.7436 178.9113 121 L 3.9881 8.2882 120.2119 57.4362 41.3840 179.2348 122 L 3.8344 7.8722 119.7326 57.9992 42.0942 178.4747 123 L 4.0381 7.7427 118.7857 58.0467 42.2464 178.3802 124 A 4.5266 7.4583 122.1573 54.4276 18.2208 180.9501 125 G 3.6599 8.1762 102.3174 45.3113 0.0000 175.5278 *127 Q 4.3187 8.0423 121.0763 55.7683 30.7185 177.6681 128 N 4.4270 8.4683 113.9220 56.1518 38.8012 176.5479 129 A 4.1868 8.3372 120.7793 55.1243 18.7930 178.9548 130 G 3.5948 8.3712 103.7121 48.7066 0.0000 173.5562 131 R 4.0589 7.9244 122.8829 56.0638 30.0108 176.3902 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 P 0.00 3.96 0.00 0.49 0.80 0.00 2.31 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.91 0.00 2 L 8.11 5.16 0.00 1.47 1.42 0.78 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 3 R 9.51 4.64 0.00 1.93 1.72 0.00 2.67 0.00 0.00 2.62 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 *5 G 9.11 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 0.00 0.00 0.00 6 G 8.86 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 0.00 0.00 0.00 7 N 7.82 4.94 0.00 2.81 2.88 0.00 0.00 6.19 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.27 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 9 Q 7.89 4.73 0.00 2.88 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 10 L 8.43 4.42 0.00 1.85 1.80 1.02 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 9.43 4.82 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 12 Y 8.82 5.13 0.00 2.86 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 13 W 7.41 5.10 0.00 3.13 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 14 P 0.00 4.10 0.00 2.09 2.09 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.27 0.00 15 F 8.06 4.19 0.00 2.97 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 16 S 8.68 4.35 0.00 3.97 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 17 S 8.64 3.92 0.00 4.08 4.10 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 0.00 0.00 0.00 18 S 8.04 4.11 0.00 3.83 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 19 D 7.63 3.60 0.00 2.23 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 6.74 3.49 0.00 1.14 1.21 0.64 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.68 4.31 0.00 2.95 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 22 N 8.26 4.35 0.00 2.63 2.82 0.00 0.00 6.98 8.42 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 23 W 7.81 4.46 0.00 3.46 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 24 K 8.25 4.19 0.00 1.93 2.05 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.55 7.81 25 N 8.56 4.50 0.00 2.81 2.89 0.00 0.00 7.04 7.59 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 26 N 7.85 4.89 0.00 2.93 2.90 0.00 0.00 6.75 8.01 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 27 N 7.22 5.11 0.00 2.81 2.69 0.00 0.00 6.93 7.81 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 28 P 0.00 4.55 0.00 2.04 2.00 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 29 S 8.80 4.45 0.00 4.12 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 30 F 8.78 4.20 0.00 3.09 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 31 S 8.18 4.10 0.00 3.97 3.91 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 32 E 7.94 4.28 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 33 D 7.89 4.55 0.00 2.61 2.46 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 34 P 0.00 3.92 0.00 1.83 0.83 0.00 3.75 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 1.82 1.54 0.00 35 G 7.95 3.67 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 0.00 0.00 0.00 36 K 7.91 3.99 0.00 1.82 2.04 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.62 7.81 37 L 7.91 4.09 0.00 1.88 1.79 1.05 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 38 T 8.14 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 1.26 0.00 0.00 39 A 8.10 3.98 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 40 L 7.88 3.69 0.00 1.71 1.68 0.80 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.98 3.46 1.87 0.00 0.00 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 1.23 0.28 0.83 0.00 0.00 42 E 8.44 3.87 0.00 2.03 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 0.00 2.29 2.31 0.00 43 S 7.85 4.11 0.00 3.98 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.62 3.61 1.71 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 1.07 0.00 0.00 -0.03 0.00 0.00 45 L 8.40 3.98 0.00 1.84 1.75 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.45 4.14 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 1.22 0.00 0.00 47 T 8.33 4.05 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 1.24 0.00 0.00 48 H 8.69 4.62 0.00 3.48 3.28 0.00 5.94 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.80 3.66 0.00 2.32 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 50 P 0.00 4.32 0.00 2.25 2.12 0.00 4.01 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 2.07 2.06 0.00 51 T 8.82 4.37 4.39 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 1.30 0.00 0.00 52 W 8.80 3.87 0.00 3.15 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 53 D 8.34 4.35 0.00 2.79 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 54 D 8.15 4.48 0.00 2.99 2.69 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 55 C 8.35 4.24 0.00 3.05 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 56 Q 7.58 3.74 0.00 1.90 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 1.36 1.42 0.00 57 Q 8.07 3.94 0.00 2.49 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 58 L 8.35 3.75 0.00 1.85 1.85 0.67 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.21 4.03 0.00 1.63 1.61 0.88 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.25 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 T 7.50 4.20 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 62 L 7.83 4.32 0.00 1.58 1.72 0.93 0.84 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 63 L 7.25 4.92 0.00 1.61 1.42 0.52 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 64 T 8.94 4.36 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 1.30 0.00 0.00 65 G 8.52 3.65 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 0.00 66 E 8.12 4.00 0.00 2.05 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 2.41 2.41 0.00 67 E 8.08 3.97 0.00 2.26 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 2.55 2.40 0.00 68 K 8.26 3.76 0.00 1.84 1.93 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.39 7.81 69 Q 8.27 3.94 0.00 2.41 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 70 R 7.99 3.88 0.00 2.22 2.02 0.00 3.24 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 71 V 7.79 3.50 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 0.93 0.00 0.00 0.63 0.00 0.00 72 L 8.13 3.99 0.00 1.79 1.90 1.00 0.99 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 73 L 8.04 3.98 0.00 1.87 1.71 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.11 3.93 0.00 2.11 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 0.00 2.58 2.55 0.00 75 A 7.96 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.45 3.86 0.00 1.91 2.04 0.00 3.50 0.00 0.00 3.47 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.70 0.00 77 K 7.55 4.20 0.00 1.77 1.83 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.14 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.43 7.81 78 A 7.23 4.57 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.49 3.90 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 1.06 0.00 0.00 1.08 0.00 0.00 80 R 8.35 4.97 0.00 1.81 1.88 0.00 3.25 0.00 0.00 3.44 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 81 G 8.70 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 82 N 8.60 4.47 0.00 2.73 2.89 0.00 0.00 6.80 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 83 D 8.06 4.50 0.00 2.76 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 84 G 8.30 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 R 8.08 4.71 0.00 1.94 1.81 0.00 3.15 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 1.54 1.81 0.00 86 P 0.00 4.73 0.00 2.04 1.99 0.00 3.63 0.00 0.00 3.58 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 87 T 8.36 4.70 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 1.30 0.00 0.00 88 Q 8.51 4.60 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.72 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 89 L 7.89 4.08 0.00 1.74 1.64 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 4.30 0.00 2.17 2.15 0.00 3.62 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 91 N 8.13 4.47 0.00 3.02 3.10 0.00 0.00 6.27 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 92 E 8.15 4.09 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 93 V 8.25 3.67 2.28 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 1.20 0.00 0.00 1.02 0.00 0.00 94 D 8.51 4.43 0.00 2.79 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 95 A 7.99 4.25 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 96 A 8.05 4.60 1.53 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 0.00 0.00 97 F 8.50 5.09 0.00 3.11 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 98 P 0.00 4.47 0.00 1.96 1.85 0.00 4.03 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.37 0.00 99 L 8.54 4.54 0.00 1.75 1.89 1.02 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 100 E 7.61 4.73 0.00 1.77 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 2.21 2.16 0.00 101 R 7.97 2.00 0.00 1.33 1.46 0.00 3.68 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.94 0.00 102 P 0.00 3.95 0.00 0.49 0.53 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 103 D 7.90 4.58 0.00 2.71 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 0.00 104 W 7.66 4.29 0.00 3.30 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 0.00 105 D 8.64 4.71 0.00 2.60 2.49 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 0.00 106 Y 8.29 4.39 0.00 3.10 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.66 4.26 4.21 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 0.00 0.00 0.00 0.96 0.00 0.00 108 T 7.65 4.58 4.23 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 1.18 0.00 0.00 109 Q 8.42 3.96 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 110 R 7.99 3.95 0.00 1.88 1.94 0.00 3.18 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 111 G 8.07 3.48 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 0.00 112 R 7.95 3.97 0.00 2.11 2.00 0.00 3.17 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 1.72 1.99 0.00 113 N 8.39 4.28 0.00 2.75 2.73 0.00 0.00 7.07 7.89 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 0.00 114 H 7.96 3.72 0.00 2.24 1.31 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 7.56 4.02 0.00 1.87 1.79 1.09 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 116 V 7.80 3.60 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 1.00 0.00 0.00 0.98 0.00 0.00 117 L 7.74 4.23 0.00 1.82 1.78 0.98 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 118 Y 8.43 4.34 0.00 3.55 3.36 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 0.00 119 R 8.56 4.03 0.00 2.11 2.03 0.00 3.25 0.00 0.00 3.41 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.05 0.00 120 Q 8.20 4.03 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 121 L 8.29 3.99 0.00 1.99 1.51 1.14 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 122 L 7.87 3.83 0.00 1.66 1.86 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 123 L 7.74 4.04 0.00 1.66 1.86 0.91 0.89 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 0.00 124 A 7.46 4.53 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 G 8.18 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *127 Q 8.04 4.32 0.00 2.31 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.51 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 128 N 8.47 4.43 0.00 2.67 2.87 0.00 0.00 7.07 7.27 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 0.00 129 A 8.34 4.19 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 0.00 130 G 8.37 3.59 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 0.00 0.00 0.00 131 R 7.92 4.06 0.00 1.95 1.84 0.00 3.19 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.