NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.4143 8.1133 119.6527 56.4026 32.5392 173.4237 2 I 4.6320 7.7369 119.1209 60.2034 42.1499 173.7409 3 C 4.8558 9.1310 120.6163 55.6760 39.7709 173.7411 4 F 4.8706 8.6347 122.6376 57.0237 39.9737 174.7877 5 N 5.6007 9.0826 119.4614 53.4194 36.5460 172.8875 6 H 5.1829 7.5957 115.8891 55.5593 31.3870 172.2491 7 Q 4.7571 8.3334 115.2075 54.9182 33.4731 176.4305 8 S 3.1459 8.2076 113.8993 59.7586 62.4708 172.4147 9 S 4.5382 8.2624 114.8816 56.9067 62.6548 173.3772 10 Q 4.4531 8.3078 122.9476 54.5910 30.2846 170.5214 11 P 4.1592 0.0000 0.0000 61.5637 30.9349 174.5918 12 Q 3.0900 8.1177 118.6104 56.5212 28.7370 177.2295 13 T 4.8188 8.3891 112.6313 59.9707 71.4103 173.1124 14 T 4.9636 8.5782 114.8847 59.9407 71.4211 173.7059 15 K 4.6116 8.6552 123.4154 54.6819 35.4871 175.5439 16 T 4.4025 8.5898 122.2070 63.3576 68.9553 175.0289 17 C 4.1243 8.0449 124.6212 57.6738 35.4538 174.7031 18 S 4.4847 8.6938 117.2478 56.6042 63.9454 171.6566 19 P 4.3972 0.0000 0.0000 64.3061 31.6959 176.0063 20 G 4.2275 8.9604 113.0607 45.8521 0.0000 173.7910 21 E 4.1188 7.8736 124.0239 55.8386 28.9595 176.4033 22 S 4.7339 8.5290 120.9280 57.5697 63.5942 173.3948 23 S 4.7101 7.6993 113.7497 58.0381 66.1551 173.2469 24 C 5.1196 8.6267 121.3911 55.6265 38.5867 172.4421 25 Y 5.3794 8.7515 118.4387 55.7589 41.6347 173.4554 26 H 4.9197 9.2040 121.9374 54.4798 32.7566 172.3691 27 K 5.4511 9.2909 128.8689 54.4575 33.4550 174.3111 28 Q 5.2304 8.1350 129.1391 53.9494 32.3750 174.1027 29 W 4.5836 8.3480 118.8133 55.8352 31.6778 173.7802 30 S 4.9484 9.0141 118.5879 56.9527 62.6666 172.7444 31 D 4.7810 8.3442 127.3354 53.8570 41.3432 176.8807 32 F 4.6632 9.8894 112.2152 57.1156 38.4538 176.7499 33 R 3.5603 8.5041 119.3197 56.1480 32.7494 174.7076 34 G 3.6837 7.6708 107.7067 44.2471 0.0000 174.4185 35 T 4.3333 8.5813 125.2454 61.7036 71.4274 174.2505 36 I 3.8776 7.7100 128.0545 59.8567 38.8041 175.3503 37 I 4.6908 7.9018 127.1137 59.4086 39.7146 174.4662 38 E 4.5104 9.5381 129.2437 55.8696 31.4367 174.8893 39 R 4.4137 7.8771 118.9004 55.3736 33.0615 174.6324 40 G 4.0616 6.0019 105.8277 44.0419 0.0000 170.9550 41 C 5.1939 8.3746 119.8445 56.2534 45.7785 174.4802 42 G 4.0637 8.8255 113.4392 48.6793 0.0000 173.5082 43 C 3.6381 7.4742 115.5618 56.0040 39.2208 173.0237 44 P 4.3515 0.0000 0.0000 62.0410 32.3869 176.1982 45 T 4.3253 7.8802 114.3791 62.9324 69.4942 174.3648 46 V 4.3757 7.7004 115.4013 60.0974 36.0617 174.6198 47 K 4.5041 7.8477 118.4950 53.7765 34.2207 174.2793 48 P 4.3285 0.0000 0.0000 64.2545 31.5025 175.1591 49 G 3.8173 8.8632 115.2048 45.9117 0.0000 174.1839 50 I 4.1630 7.3606 120.2877 60.7437 38.3006 176.0171 51 K 4.5719 8.5487 124.8673 55.0104 34.4255 175.6990 52 L 4.8305 8.3974 124.9863 53.7494 44.6901 175.6995 53 S 4.7063 9.0474 124.2519 57.4817 64.0943 172.7255 54 C 5.5258 8.7925 122.9689 55.4789 41.1659 172.5470 55 C 5.0541 8.7599 116.7626 53.2641 44.8507 174.5081 56 E 4.5110 8.8342 123.2536 56.9694 29.3387 176.3407 57 S 4.6831 8.0661 113.4962 55.7265 64.9374 173.2703 58 E 3.8996 9.1106 125.2201 57.5247 29.4916 178.4091 59 V 2.9137 7.7910 105.8993 63.1739 28.2390 171.4865 60 C 4.9976 8.7874 117.5210 54.6693 42.9200 175.1396 61 N 4.7241 8.1290 117.4496 51.7946 37.4596 173.9087 62 N 4.2577 8.3450 121.3818 53.6214 38.7989 175.4128 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 R 8.11 4.41 0.00 1.77 1.91 0.00 3.05 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 2 I 7.74 4.63 1.71 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.73 0.57 0.00 0.00 3 C 9.13 4.86 0.00 2.76 2.80 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 4 F 8.63 4.87 0.00 3.13 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 5 N 9.08 5.60 0.00 2.66 2.84 0.00 0.00 6.79 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 6 H 7.60 5.18 0.00 3.20 3.42 0.00 5.69 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.33 4.76 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 5.74 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 8 S 8.21 3.15 0.00 3.81 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 9 S 8.26 4.54 0.00 3.80 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 10 Q 8.31 4.45 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 11 P 0.00 4.16 0.00 2.02 2.09 0.00 3.68 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 2.02 2.09 0.00 12 Q 8.12 3.09 0.00 1.77 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.62 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 13 T 8.39 4.82 4.34 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 1.30 0.00 0.00 14 T 8.58 4.96 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 1.07 0.00 0.00 15 K 8.66 4.61 0.00 1.66 1.70 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.38 7.81 16 T 8.59 4.40 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 1.20 0.00 0.00 17 C 8.04 4.12 0.00 3.02 3.25 0.00 0.00 0.00 0.00 0.00 0.00 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 8.69 4.48 0.00 4.01 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 19 P 0.00 4.40 0.00 2.06 2.05 0.00 3.73 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 2.04 2.11 0.00 20 G 8.96 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 0.00 0.00 0.00 0.00 21 E 7.87 4.12 0.00 2.16 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 0.00 2.41 2.36 0.00 22 S 8.53 4.73 0.00 3.98 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 23 S 7.70 4.71 0.00 3.90 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 24 C 8.63 5.12 0.00 3.05 3.01 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 0.00 0.00 0.00 0.00 25 Y 8.75 5.38 0.00 3.02 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.20 4.92 0.00 3.23 3.23 0.00 5.57 0.00 0.00 0.00 0.00 6.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.29 5.45 0.00 2.28 2.15 0.00 1.71 0.00 0.00 1.96 0.00 0.00 2.13 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.67 1.32 7.81 28 Q 8.14 5.23 0.00 2.02 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 29 W 8.35 4.58 0.00 3.33 3.25 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.01 4.95 0.00 3.91 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 31 D 8.34 4.78 0.00 2.84 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 0.00 0.00 0.00 32 F 9.89 4.66 0.00 3.19 3.17 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 0.00 0.00 0.00 0.00 33 R 8.50 3.56 0.00 1.35 1.68 0.00 3.13 0.00 0.00 3.09 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.50 0.00 34 G 7.67 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 35 T 8.58 4.33 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 1.13 0.00 0.00 36 I 7.71 3.88 0.94 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.36 -0.94 0.00 0.00 37 I 7.90 4.69 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.76 0.99 0.00 0.00 38 E 9.54 4.51 0.00 2.36 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 2.67 2.68 0.00 39 R 7.88 4.41 0.00 1.72 1.74 0.00 2.86 0.00 0.00 3.01 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.50 0.00 40 G 6.00 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 0.00 0.00 0.00 41 C 8.37 5.19 0.00 2.95 3.03 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 42 G 8.83 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 0.00 0.00 0.00 43 C 7.47 3.64 0.00 2.97 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 44 P 0.00 4.35 0.00 1.96 1.88 0.00 2.80 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.25 0.00 45 T 7.88 4.33 4.17 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 0.00 0.00 0.00 1.16 0.00 0.00 46 V 7.70 4.38 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 0.74 0.00 0.00 0.86 0.00 0.00 47 K 7.85 4.50 0.00 1.61 1.58 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.30 7.81 48 P 0.00 4.33 0.00 2.00 2.00 0.00 3.60 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 49 G 8.86 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.36 4.16 1.66 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.41 0.62 0.00 0.00 51 K 8.55 4.57 0.00 1.88 1.75 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.41 7.81 52 L 8.40 4.83 0.00 1.59 1.55 1.15 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 53 S 9.05 4.71 0.00 3.92 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 54 C 8.79 5.53 0.00 2.89 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 55 C 8.76 5.05 0.00 2.98 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 56 E 8.83 4.51 0.00 1.99 2.02 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 2.33 2.31 0.00 57 S 8.07 4.68 0.00 3.76 3.70 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 58 E 9.11 3.90 0.00 2.04 1.94 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 2.27 2.35 0.00 59 V 7.79 2.91 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 0.20 0.00 0.00 0.91 0.00 0.00 60 C 8.79 5.00 0.00 3.08 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 61 N 8.13 4.72 0.00 2.70 2.75 0.00 0.00 6.00 7.93 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 62 N 8.34 4.26 0.00 2.59 2.55 0.00 0.00 6.99 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