NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 A 4.2867 8.2649 123.5926 51.4091 19.9466 176.4737 8 F 4.3284 8.8721 120.7570 56.5347 39.5077 174.6460 9 S 4.5029 9.3412 121.1368 57.9393 65.9792 175.4467 10 S 4.1364 8.4956 116.9652 61.4587 62.7591 176.3569 11 E 3.9400 8.0855 121.8356 59.3173 29.2277 179.1086 12 Q 3.8508 7.9622 117.9808 58.9203 28.7702 178.8650 13 L 3.8051 8.1560 119.9199 57.4859 41.6341 179.2469 14 A 3.9439 8.3259 121.1911 55.1904 18.2426 179.5282 15 R 3.7359 7.8546 116.8856 59.6449 30.1505 178.5085 16 L 3.6716 7.6850 118.6522 57.6588 41.4252 179.7793 17 K 4.1701 8.2614 118.5781 59.5248 32.0272 179.3865 18 R 3.9405 7.9844 118.8913 59.5549 30.0555 178.3517 19 E 4.0726 8.5560 118.7308 59.4597 29.2470 179.1630 20 F 4.4048 8.5787 120.1812 61.5101 39.5629 176.7403 21 N 4.4596 8.3759 115.1344 56.1524 38.3429 176.9550 22 E 4.2566 7.9926 119.6244 57.9666 29.7613 177.0663 23 N 4.4177 7.7599 116.8213 53.5967 42.2214 174.9873 24 R 3.7091 8.4496 123.6875 57.0937 29.9971 172.1927 25 Y 4.9685 8.1058 114.0967 56.9785 40.2706 174.9587 26 L 4.5035 8.4117 122.4824 53.2699 43.9667 176.8810 27 T 4.5374 7.8789 112.8574 59.6370 72.4296 175.3533 28 E 3.9348 8.6350 123.4400 60.3158 29.5278 179.5779 29 R 3.9287 7.9133 120.0167 61.4020 29.3920 180.4125 30 R 4.0682 7.7870 119.3473 59.0287 30.0259 178.4361 31 R 3.7969 8.0471 118.6573 59.6057 29.9896 178.5077 32 Q 3.9493 8.3294 118.0249 59.0237 28.6449 178.5998 33 Q 3.9335 8.3739 120.8778 59.1739 28.9928 178.3623 34 L 3.9351 8.2583 120.4125 57.6632 41.7203 179.3548 35 S 4.2178 8.1195 114.5098 60.9432 62.1332 176.3830 36 S 4.0900 8.0340 116.6116 61.7859 62.7378 176.3105 37 E 4.1594 8.2579 119.1763 57.9944 29.4528 178.0690 38 L 4.4340 8.0746 117.5631 53.6257 42.4425 177.3537 39 G 3.8393 7.6177 105.9324 45.8973 0.0000 173.3551 40 L 4.6195 7.2737 119.0039 52.6113 44.0833 175.9177 41 N 4.5883 9.2173 119.5216 52.3885 39.6486 176.1864 42 E 3.9749 8.7150 120.5279 59.6494 29.4498 179.5283 43 A 4.0611 8.0577 120.2521 55.3512 18.5363 179.5735 44 Q 4.1330 8.8503 116.9263 59.0275 28.7732 179.0825 45 I 3.9288 7.8104 120.5503 64.3474 37.2338 178.4652 46 K 4.0839 8.2907 119.3246 59.7851 31.8963 179.4338 47 I 3.8321 8.2509 120.2314 64.1015 37.0293 178.2923 48 W 4.0358 8.5996 129.2059 60.5806 30.5797 178.1068 49 F 4.0725 8.9476 117.8051 60.4016 38.4281 177.2710 50 Q 4.0283 8.8203 119.6221 59.5168 28.9872 178.4201 51 N 4.1559 8.3961 117.4178 56.2074 38.6553 177.3253 52 A 3.3398 7.2778 122.0409 54.7877 17.8913 179.9674 53 R 4.0511 7.6870 115.6325 59.3034 30.2896 178.8566 54 A 4.1335 7.8054 119.2715 53.8023 18.3697 178.5076 55 K 4.3878 7.2231 114.1184 56.9800 34.2619 176.2449 56 I 3.9007 7.4725 117.6132 61.0828 37.5904 175.5851 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 7 A 8.26 4.29 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 8 F 8.87 4.33 0.00 3.00 2.91 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 9 S 9.34 4.50 0.00 4.11 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 10 S 8.50 4.14 0.00 4.08 4.18 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 11 E 8.09 3.94 0.00 2.04 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 2.38 2.44 0.00 12 Q 7.96 3.85 0.00 2.19 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 13 L 8.16 3.81 0.00 1.70 1.75 1.00 1.14 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 14 A 8.33 3.94 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 15 R 7.85 3.74 0.00 1.88 1.98 0.00 3.14 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 16 L 7.69 3.67 0.00 0.90 0.13 -0.04 0.61 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 17 K 8.26 4.17 0.00 1.84 1.95 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.66 1.69 7.81 18 R 7.98 3.94 0.00 1.92 2.07 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 19 E 8.56 4.07 0.00 2.36 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 0.00 2.52 2.54 0.00 20 F 8.58 4.40 0.00 3.07 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 21 N 8.38 4.46 0.00 2.94 2.90 0.00 0.00 7.11 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 22 E 7.99 4.26 0.00 2.15 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 2.36 2.54 0.00 23 N 7.76 4.42 0.00 2.65 2.70 0.00 0.00 7.14 7.06 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 24 R 8.45 3.71 0.00 1.87 1.81 0.00 3.28 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.22 0.00 25 Y 8.11 4.97 0.00 3.08 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 26 L 8.41 4.50 0.00 1.52 1.43 0.76 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.88 4.54 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 1.21 0.00 0.00 28 E 8.64 3.93 0.00 2.04 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 2.37 2.37 0.00 29 R 7.91 3.93 0.00 1.86 1.93 0.00 3.30 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 30 R 7.79 4.07 0.00 1.78 1.86 0.00 3.05 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 31 R 8.05 3.80 0.00 1.93 2.06 0.00 3.16 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 32 Q 8.33 3.95 0.00 2.24 2.12 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 2.51 0.00 33 Q 8.37 3.93 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 34 L 8.26 3.94 0.00 1.88 1.68 1.00 0.70 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 35 S 8.12 4.22 0.00 3.92 3.98 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 0.00 0.00 0.00 36 S 8.03 4.09 0.00 3.96 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 37 E 8.26 4.16 0.00 2.01 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 2.31 2.32 0.00 38 L 8.07 4.43 0.00 1.53 1.51 0.73 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 39 G 7.62 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.27 4.62 0.00 1.53 1.52 -0.01 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 41 N 9.22 4.59 0.00 2.95 2.95 0.00 0.00 7.23 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 42 E 8.71 3.97 0.00 2.04 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 2.40 2.39 0.00 43 A 8.06 4.06 1.41 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 0.00 0.00 44 Q 8.85 4.13 0.00 2.31 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.56 2.74 0.00 45 I 7.81 3.93 2.06 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.17 1.04 0.00 0.00 46 K 8.29 4.08 0.00 2.05 1.96 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.69 7.81 47 I 8.25 3.83 2.07 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.87 0.97 0.00 0.00 48 W 8.60 4.04 0.00 3.81 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.95 4.07 0.00 3.57 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 50 Q 8.82 4.03 0.00 2.14 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 51 N 8.40 4.16 0.00 2.45 2.55 0.00 0.00 6.98 7.08 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 52 A 7.28 3.34 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.69 4.05 0.00 2.01 2.05 0.00 3.08 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.01 0.00 54 A 7.81 4.13 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 55 K 7.22 4.39 0.00 1.86 1.80 0.00 1.46 0.00 0.00 1.53 0.00 0.00 2.69 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.37 1.19 7.81 56 I 7.47 3.90 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.65 1.12 0.00 0.00