NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.1746 8.3144 120.1280 56.2148 33.6326 174.4716 4 V 4.3084 7.6250 120.7269 60.9947 34.7270 172.5505 5 Y 5.1045 9.0670 124.5452 56.1177 41.7028 174.1916 6 K 4.5547 8.4691 121.4857 54.4739 36.0198 174.8406 7 K 4.9121 8.4560 123.8774 54.6449 34.8845 175.8706 8 V 4.5720 8.7574 117.5856 59.4904 35.3866 174.1067 9 E 5.1164 8.7235 123.7556 54.7031 31.0635 174.9425 10 L 4.9227 8.9683 126.2101 52.8441 46.3970 175.9129 11 V 4.7314 8.3468 120.2525 61.2287 33.4309 175.0719 12 G 4.4917 9.0965 116.2673 45.1137 0.0000 171.7376 13 T 5.7934 7.9894 111.4720 59.0618 72.3715 172.9000 14 S 4.6525 8.2552 114.1503 58.0061 65.2726 175.6488 15 E 4.6882 8.9879 123.9005 57.3211 30.0702 177.9489 16 E 4.1448 8.4285 118.7463 57.5154 30.0355 176.6361 17 G 3.2200 7.1700 104.5608 44.2499 0.0000 173.2374 18 L 3.7839 7.3437 118.1040 57.8779 41.4414 179.4997 19 E 3.8783 8.0121 117.7399 59.3798 29.4437 179.1587 20 A 3.9285 7.8779 120.0508 54.9959 18.6088 179.3797 21 A 3.9330 7.9247 119.2949 55.3168 18.4811 179.9542 22 I 3.5171 7.8098 118.3365 64.6128 37.0707 178.6525 23 Q 3.9018 8.3362 119.0044 58.7971 28.5897 178.8239 24 A 3.9136 8.1078 121.5604 55.0946 18.4423 179.5801 25 A 3.9053 7.8083 118.7384 55.3382 18.5700 179.7471 26 L 3.8775 7.9251 117.3023 57.7230 41.3975 179.5987 27 A 3.9708 7.9971 120.3752 55.0936 18.7180 179.3784 28 R 3.9294 7.9365 116.6366 59.2245 30.0556 178.4565 29 A 3.8861 8.0357 120.7537 55.2376 18.1654 179.5798 30 R 3.7291 7.7656 115.7715 59.3133 30.0746 178.4530 31 K 4.0925 7.6344 117.7210 58.7269 32.1285 177.5901 32 T 4.4840 7.6608 104.9195 60.5213 70.3697 173.3430 33 L 4.3291 7.8472 122.8413 52.8745 43.4672 176.2172 34 R 4.3670 8.1033 121.7324 55.5533 32.4042 175.0547 35 H 4.2063 8.4725 112.9938 56.8412 26.2147 175.4337 36 L 4.5713 8.0930 118.3277 55.3820 42.3079 176.3067 37 D 5.2115 9.3505 123.1027 55.3461 43.4395 176.0376 38 W 5.4631 7.7657 113.1869 55.3567 31.8680 173.1206 39 F 5.3242 8.2541 113.9618 55.3905 40.9735 173.7227 40 E 4.7239 9.3155 118.8648 54.6630 33.4048 174.9999 41 V 4.2508 8.7221 125.0507 62.9618 31.7299 175.4694 42 K 4.4667 9.3326 127.8502 58.3356 33.3540 176.8618 43 E 4.8476 7.8818 116.6548 55.0900 34.3332 174.3649 44 I 5.0451 8.2959 122.5556 59.8395 40.3950 174.9646 45 R 4.5448 8.7023 123.3321 56.9206 32.9590 173.5603 46 G 4.2211 7.9715 105.8339 47.1610 0.0000 172.2052 47 T 4.7529 7.9137 110.0220 60.0635 71.6805 173.6466 48 I 4.8848 8.2231 122.2840 59.6682 40.4669 175.1682 49 G 4.2519 9.1122 114.2843 43.4428 0.0000 173.0747 50 E 3.9186 8.8586 117.2411 58.7465 29.4039 178.0301 51 A 4.6305 8.0278 119.7392 51.8015 20.4245 176.5473 52 G 3.9922 7.7982 106.0768 45.0057 0.0000 176.1082 53 V 3.6902 8.1597 124.8443 63.0218 31.0908 174.6463 54 K 4.2174 8.6202 129.7506 57.4612 32.9958 174.8538 55 E 4.8899 8.2359 118.9391 54.3871 32.7704 173.9290 56 Y 4.6327 9.1814 125.3184 57.6499 39.8358 174.5742 57 Q 4.8900 9.5255 122.3410 54.2317 32.6655 174.4153 58 V 4.6755 8.8539 125.3815 61.0494 33.9837 174.5159 59 V 4.6673 8.7734 129.8771 62.0755 32.6188 174.8005 60 L 5.2787 9.2073 127.5902 54.3709 44.6054 174.6366 61 E 5.0013 9.2483 120.0517 54.8647 31.9793 175.1169 62 V 4.4846 8.9535 124.6876 61.0211 34.1199 174.2667 63 G 2.9632 8.0697 116.0082 44.0001 0.0000 172.3573 64 F 5.6621 8.1853 118.2414 55.0036 41.9694 173.4850 65 R 4.2612 8.8759 121.4474 55.9756 30.5235 176.1537 66 L 4.5353 8.4243 126.6422 54.1230 42.6225 177.0085 67 E 4.1917 8.7102 121.1027 56.3778 30.2898 177.0985 68 E 4.1575 8.5519 119.3236 56.8154 29.6521 176.8500 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 3 K 8.31 4.17 0.00 1.75 1.40 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.41 7.81 4 V 7.63 4.31 2.01 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 1.07 0.00 0.00 0.91 0.00 0.00 5 Y 9.07 5.10 0.00 3.03 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 6 K 8.47 4.55 0.00 1.48 0.74 0.00 1.58 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.10 1.27 7.81 7 K 8.46 4.91 0.00 1.61 1.61 0.00 2.09 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.09 1.41 7.81 8 V 8.76 4.57 2.15 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 0.93 0.00 0.00 1.12 0.00 0.00 9 E 8.72 5.12 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 2.21 2.46 0.00 10 L 8.97 4.92 0.00 1.56 1.47 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.35 4.73 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 0.81 0.00 0.00 0.94 0.00 0.00 12 G 9.10 4.49 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 0.00 0.00 0.00 13 T 7.99 5.79 4.33 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 1.27 0.00 0.00 14 S 8.26 4.65 0.00 3.88 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 15 E 8.99 4.69 0.00 2.04 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 2.49 2.30 0.00 16 E 8.43 4.14 0.00 1.97 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 2.35 2.40 0.00 17 G 7.17 3.22 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 0.00 0.00 0.00 0.00 18 L 7.34 3.78 0.00 1.57 1.65 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.01 3.88 0.00 1.98 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 2.38 2.42 0.00 20 A 7.88 3.93 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 21 A 7.92 3.93 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 22 I 7.81 3.52 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.90 0.34 0.00 0.00 23 Q 8.34 3.90 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 24 A 8.11 3.91 1.37 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 0.00 0.00 0.00 25 A 7.81 3.91 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 3.88 0.00 1.62 1.65 0.67 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.00 3.97 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 28 R 7.94 3.93 0.00 1.93 2.02 0.00 3.12 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 A 8.04 3.89 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 30 R 7.77 3.73 0.00 1.92 2.08 0.00 3.25 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 31 K 7.63 4.09 0.00 1.87 1.82 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.64 1.56 7.81 32 T 7.66 4.48 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 33 L 7.85 4.33 0.00 1.32 0.68 0.47 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.10 4.37 0.00 1.62 1.50 0.00 3.30 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 35 H 8.47 4.21 0.00 3.64 3.45 0.00 5.62 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.09 4.57 0.00 1.68 1.67 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.35 5.21 0.00 3.10 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 38 W 7.77 5.46 0.00 3.25 3.20 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 39 F 8.25 5.32 0.00 3.04 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 40 E 9.32 4.72 0.00 1.98 1.92 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 2.38 2.55 0.00 41 V 8.72 4.25 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 0.84 0.00 0.00 1.12 0.00 0.00 42 K 9.33 4.47 0.00 1.76 1.87 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.59 7.81 43 E 7.88 4.85 0.00 1.90 1.80 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 2.32 2.37 0.00 44 I 8.30 5.05 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.65 0.99 0.00 0.00 45 R 8.70 4.54 0.00 1.82 2.03 0.00 2.97 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.78 0.00 46 G 7.97 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 0.00 0.00 0.00 0.00 47 T 7.91 4.75 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 1.18 0.00 0.00 48 I 8.22 4.88 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.63 0.94 0.00 0.00 49 G 9.11 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 0.00 0.00 0.00 0.00 50 E 8.86 3.92 0.00 1.96 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 2.30 2.25 0.00 51 A 8.03 4.63 1.24 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 0.00 0.00 0.00 52 G 7.80 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 53 V 8.16 3.69 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 -0.30 0.00 0.00 0.68 0.00 0.00 54 K 8.62 4.22 0.00 1.84 1.75 0.00 1.48 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.34 1.38 7.81 55 E 8.24 4.89 0.00 2.05 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 0.00 2.19 2.26 0.00 56 Y 9.18 4.63 0.00 3.14 2.84 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 57 Q 9.53 4.89 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 58 V 8.85 4.68 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 0.95 0.00 0.00 0.95 0.00 0.00 59 V 8.77 4.67 2.19 0.00 0.00 0.00 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 60 L 9.21 5.28 0.00 1.95 1.76 0.90 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.25 5.00 0.00 1.95 1.88 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 2.27 2.27 0.00 62 V 8.95 4.48 2.10 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 0.95 0.00 0.00 0.92 0.00 0.00 63 G 8.07 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 0.00 0.00 0.00 64 F 8.19 5.66 0.00 3.45 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 65 R 8.88 4.26 0.00 2.08 1.89 0.00 3.04 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.86 0.00 66 L 8.42 4.54 0.00 1.59 1.58 0.89 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.71 4.19 0.00 1.99 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 2.39 2.32 0.00 68 E 8.55 4.16 0.00 1.94 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 2.26 2.22 0.00