NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3988 8.1633 120.2700 55.4419 33.9641 173.8884 2 T 5.0131 8.0541 120.0436 60.4785 71.6594 172.2386 3 Y 4.7388 9.1441 124.4799 56.9812 41.3203 173.9163 4 K 4.8182 8.5848 121.9361 54.7530 34.4769 174.9673 5 L 4.2776 8.7542 130.4466 54.3311 44.0875 175.6513 6 I 4.3974 7.9391 124.7439 59.3034 40.1881 174.7191 7 L 4.2010 8.8098 129.3342 53.9238 42.5048 177.7171 8 N 4.9520 8.4142 124.5506 52.3580 38.9489 176.1087 9 G 4.2569 8.0484 106.5423 45.0630 0.0000 175.1423 10 K 3.9346 8.6891 122.8900 59.5378 32.1912 178.2230 11 T 4.3976 7.6899 105.3624 61.2527 69.4064 174.0108 12 L 4.5315 7.4030 123.5493 54.2301 45.4609 174.1486 13 K 5.0238 8.2064 123.9180 55.0061 36.2419 176.1595 14 G 4.2251 7.9719 107.0297 48.0812 0.0000 171.2652 15 E 5.5075 8.4610 113.3227 56.5539 31.6368 175.6101 16 T 4.7919 7.9258 117.2388 60.8105 71.3707 171.8111 17 T 5.7234 8.4502 116.0596 59.7125 71.0066 173.4783 18 T 4.5545 8.7395 118.0491 60.1170 71.3103 171.7046 19 E 4.9700 8.6269 127.1517 55.0967 30.4616 175.0448 20 A 4.9364 8.6796 128.0908 50.3384 21.9706 176.3724 21 V 3.9007 8.7192 119.7802 63.4244 31.9703 175.3455 22 D 4.8588 7.6890 118.3859 50.6642 42.4292 175.7447 23 A 4.2385 8.6294 120.3800 55.2137 18.4501 179.0945 24 A 4.0488 8.0732 119.2749 55.6517 18.4991 179.4333 25 T 3.7322 9.2829 111.0048 64.9884 67.4138 176.3192 26 A 3.8553 7.6906 122.0989 54.7788 18.4080 179.4575 27 E 3.6734 8.2568 117.3565 59.5905 29.6091 179.7565 28 K 3.8112 7.7708 117.9494 58.9468 31.8522 179.2460 29 V 3.4340 7.7859 118.7977 66.2054 31.3179 178.1707 30 F 4.2149 7.7522 117.0922 60.4482 38.7352 177.3721 31 K 3.9653 7.7736 119.1173 59.8498 31.5645 178.3455 32 Q 3.9609 8.3634 119.0028 59.2896 29.0877 177.6217 33 Y 4.0307 7.8677 119.8938 60.6866 38.9716 177.2676 34 A 4.1952 8.7926 121.9108 55.6526 18.0108 178.9538 35 N 4.3357 8.5336 115.2479 57.0080 38.7933 176.2499 36 D 4.5847 7.9345 116.3575 55.5066 40.6909 176.4863 37 N 4.7770 8.6135 116.8346 52.3941 41.1313 175.1039 38 G 3.9516 7.9986 105.2250 46.1099 0.0000 174.2867 39 V 4.2698 7.6727 120.1935 60.3188 31.5303 172.7784 40 D 5.1964 8.0811 123.3186 52.1556 45.5687 172.9043 41 G 3.8828 9.2215 119.7531 45.5748 0.0000 173.8727 42 E 4.8755 5.9000 119.1277 54.3995 32.6957 176.0918 43 W 5.0697 8.9890 123.0988 55.0242 32.2107 174.7380 44 T 4.8840 9.3452 113.6169 60.0404 72.2443 172.0342 45 Y 3.8348 8.2997 122.0239 55.7960 41.8670 174.9918 46 D 4.8667 8.0117 127.1899 52.5331 40.1427 176.0005 47 D 4.8005 8.5147 117.2375 54.9435 41.7871 176.7329 48 A 4.2758 8.0441 121.4521 55.4246 18.6501 178.6483 49 T 4.5782 7.4117 102.5870 60.7143 70.6245 174.2287 50 K 4.0707 8.3834 118.6652 58.4895 29.4255 175.2998 51 T 4.9760 7.9815 113.8609 61.9336 72.9620 175.9193 52 F 4.1193 9.3176 126.0232 57.6648 40.9137 174.9376 53 T 4.9798 8.1560 115.6056 62.6734 73.4024 173.3817 54 V 4.3962 8.1691 124.2305 60.2075 35.3312 174.7391 55 T 4.6643 8.2401 118.3777 61.7573 72.6816 173.9052 56 E 4.0555 8.7812 126.4049 56.4497 29.6873 176.2232 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 8.16 4.40 0.00 1.78 2.26 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.65 0.00 2 T 8.05 5.01 4.20 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 1.29 0.00 0.00 3 Y 9.14 4.74 0.00 3.38 3.07 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 4 K 8.58 4.82 0.00 1.88 1.65 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.36 7.81 5 L 8.75 4.28 0.00 0.27 1.14 0.51 0.59 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 6 I 7.94 4.40 1.75 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 1.16 1.02 0.83 0.00 0.00 7 L 8.81 4.20 0.00 1.67 1.58 1.03 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.41 4.95 0.00 2.68 2.73 0.00 0.00 6.93 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 9 G 8.05 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 0.00 0.00 0.00 0.00 10 K 8.69 3.93 0.00 1.75 1.88 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.42 7.81 11 T 7.69 4.40 4.24 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 1.21 0.00 0.00 12 L 7.40 4.53 0.00 1.67 1.50 0.93 0.37 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 13 K 8.21 5.02 0.00 1.71 1.61 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.30 1.51 7.81 14 G 7.97 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 15 E 8.46 5.51 0.00 1.93 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 2.03 1.98 0.00 16 T 7.93 4.79 4.04 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 0.78 0.00 0.00 17 T 8.45 5.72 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 1.25 0.00 0.00 18 T 8.74 4.55 3.18 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 0.38 0.00 0.00 19 E 8.63 4.97 0.00 1.99 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 2.24 2.30 0.00 20 A 8.68 4.94 1.39 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 0.00 0.00 0.00 21 V 8.72 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 0.91 0.00 0.00 0.97 0.00 0.00 22 D 7.69 4.86 0.00 2.91 2.83 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 23 A 8.63 4.24 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 24 A 8.07 4.05 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 25 T 9.28 3.73 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 1.35 0.00 0.00 26 A 7.69 3.86 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 27 E 8.26 3.67 0.00 2.21 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 2.72 2.91 0.00 28 K 7.77 3.81 0.00 1.71 1.74 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.50 7.81 29 V 7.79 3.43 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 0.61 0.00 0.00 0.83 0.00 0.00 30 F 7.75 4.21 0.00 3.12 3.21 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 31 K 7.77 3.97 0.00 1.19 1.70 0.00 1.14 0.00 0.00 1.32 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.20 7.81 32 Q 8.36 3.96 0.00 2.10 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 33 Y 7.87 4.03 0.00 3.16 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 34 A 8.79 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.53 4.34 0.00 3.01 2.99 0.00 0.00 7.21 8.00 0.00 0.00 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 D 7.93 4.58 0.00 2.49 2.48 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 37 N 8.61 4.78 0.00 2.80 2.81 0.00 0.00 7.03 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.00 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 39 V 7.67 4.27 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 0.77 0.00 0.00 0.95 0.00 0.00 40 D 8.08 5.20 0.00 2.74 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 41 G 9.22 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 42 E 5.90 4.88 0.00 1.88 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 2.29 2.28 0.00 43 W 8.99 5.07 0.00 3.17 3.35 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 44 T 9.35 4.88 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 45 Y 8.30 3.83 0.00 2.71 2.52 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 46 D 8.01 4.87 0.00 2.70 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 47 D 8.51 4.80 0.00 2.51 2.64 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 0.00 48 A 8.04 4.28 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 49 T 7.41 4.58 4.25 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 1.22 0.00 0.00 50 K 8.38 4.07 0.00 1.99 1.85 0.00 1.56 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.59 1.50 7.81 51 T 7.98 4.98 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 1.23 0.00 0.00 52 F 9.32 4.12 0.00 2.39 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 53 T 8.16 4.98 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 54 V 8.17 4.40 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 0.40 0.00 0.00 -0.57 0.00 0.00 55 T 8.24 4.66 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 1.21 0.00 0.00 56 E 8.78 4.06 0.00 1.90 1.82 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 2.45 2.26 0.00