NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3233 8.4449 120.2256 55.9111 29.9602 175.7603 4 R 3.9470 8.3746 123.3011 54.4660 32.2058 174.6412 5 P 4.1933 0.0000 0.0000 66.2611 31.8046 178.8041 6 L 3.9474 7.8377 116.5621 57.3880 41.4568 179.2486 7 D 4.3183 7.8410 118.8408 57.3045 40.6763 178.5820 8 V 3.5592 7.4706 117.4465 66.0500 31.8140 177.8565 9 I 3.6866 7.6401 119.4802 64.5147 36.8934 177.8264 10 H 4.1566 8.2197 119.4676 59.3671 29.5242 177.1535 11 R 4.1362 8.2050 117.8971 57.8784 30.2514 177.8957 12 S 4.4998 7.8396 114.6030 57.2934 63.3795 173.8732 13 L 4.3317 7.0637 121.9856 56.6621 41.8474 176.5388 14 D 4.4990 9.5469 121.1803 55.0322 39.3191 173.5067 15 K 4.8056 7.7614 117.4129 54.2419 36.3529 175.4641 16 D 5.0678 8.5832 122.1243 54.8400 42.0269 175.8775 17 V 4.9361 9.0354 115.0696 59.6474 36.8516 173.8356 18 L 4.9565 8.7902 124.7314 53.4092 44.4426 175.2019 19 V 4.7157 9.0116 127.0885 61.3018 33.6582 174.2153 20 I 4.4305 8.8349 130.6420 60.7692 38.4154 175.8864 21 L 5.0277 8.4094 126.8681 52.8572 44.1436 177.1991 22 K 4.1521 8.7426 118.5597 60.0012 31.2015 179.4921 23 K 4.3867 8.0189 117.6781 57.0745 32.5285 178.4277 24 G 3.8429 8.4791 104.7089 45.9634 0.0000 173.4770 25 F 5.0643 7.6178 118.5869 56.3155 41.3791 174.7594 26 E 5.2043 8.9196 119.2698 55.3632 34.6772 174.0683 27 F 5.4332 9.3118 120.0581 55.9138 42.7418 174.5764 28 R 5.1249 9.3525 121.1548 53.9654 33.9382 175.3457 29 G 4.0774 7.8786 108.5095 46.4959 0.0000 170.9622 30 R 4.8644 7.8885 120.7540 54.7887 31.3969 175.4643 31 L 4.6108 8.7380 130.1074 55.3345 42.7806 176.7873 32 I 4.6452 8.4442 118.8489 59.9871 38.8935 174.9849 33 G 4.0900 7.4883 109.2881 46.4263 0.0000 171.5915 34 Y 5.6174 7.7639 117.1426 57.3271 40.3175 171.8506 35 D 4.8405 7.9944 118.3107 51.3909 42.6626 175.8334 36 I 3.8062 8.2797 117.8826 63.8391 37.8852 175.9503 37 H 4.6259 8.3903 115.6959 55.5629 28.6977 175.2792 38 L 3.7894 8.0573 118.2112 55.6058 39.7408 174.2488 39 N 4.8425 8.2093 116.0701 53.5609 39.7795 174.5714 40 V 5.0594 8.7514 114.8798 59.5987 36.7359 174.4759 41 V 4.8037 8.6784 121.5800 61.1956 34.1706 174.2925 42 L 5.2842 9.1337 127.2719 52.8968 45.1839 175.1675 43 A 4.9587 8.8667 123.8315 50.6148 21.8092 176.2184 44 D 4.4439 8.7067 119.8829 55.3358 39.1902 173.1917 45 A 5.1886 8.2937 121.2478 50.7809 22.4296 177.3901 46 E 5.2472 9.3366 116.9204 54.8412 33.3650 174.3394 47 M 4.7482 9.2552 122.7450 54.6266 34.1147 174.6354 48 I 4.8973 8.9705 126.7953 59.4340 40.9266 174.2954 49 Q 3.9703 8.9141 127.7656 53.9531 31.2400 175.1805 50 D 4.4592 9.4006 129.5324 55.3418 38.9965 175.1354 51 G 3.9280 8.3137 106.5205 44.9406 0.0000 173.0392 52 E 4.4890 7.6947 121.0577 53.9525 31.1046 175.0731 53 V 4.1933 8.2774 126.1311 63.1074 32.1088 175.6340 54 V 4.4870 8.5611 119.2095 61.3726 34.0694 175.6600 55 K 4.6073 7.7437 117.8920 55.2678 36.6631 174.9135 56 R 5.1480 7.9577 119.9030 54.7934 34.0352 174.4595 57 Y 4.7020 9.4853 119.7151 56.2986 41.8310 176.7670 58 G 3.6773 9.0381 110.9789 48.8582 0.0000 173.4528 59 K 5.1578 7.8834 120.2238 54.6864 35.5343 175.4494 60 I 4.4670 8.9060 126.8339 59.4197 41.9094 173.3815 61 V 4.6423 8.2430 128.7049 61.3568 33.0698 174.4880 62 I 4.3733 8.4783 129.4476 59.3850 39.7797 175.4413 63 R 4.4054 8.5245 126.2512 55.4277 30.8707 177.8236 64 G 3.7560 8.8665 112.0047 48.5954 0.0000 174.8111 65 D 4.2846 8.1587 118.1992 56.7290 41.1955 176.3744 66 N 4.7013 7.8725 114.0571 53.0654 39.1676 175.0867 67 V 4.1342 7.6523 119.5551 62.4538 32.5079 175.2887 68 L 4.4983 9.0965 127.6221 56.7471 42.3729 176.5795 69 A 4.7372 7.6062 117.8361 50.9342 22.9648 174.6551 70 I 5.0805 8.1685 118.8905 59.6808 41.0673 175.1414 71 S 4.6091 9.1786 121.0959 55.6489 65.4909 171.2950 72 P 4.5393 0.0000 0.0000 63.1395 31.8012 176.5453 73 T 4.2398 8.8099 120.8460 63.7358 68.1431 174.7935 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 E 8.44 4.32 0.00 1.97 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 2.21 2.34 0.00 4 R 8.37 3.95 0.00 1.96 1.84 0.00 3.15 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 5 P 0.00 4.19 0.00 2.12 2.10 0.00 3.58 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 2.11 2.19 0.00 6 L 7.84 3.95 0.00 1.67 1.70 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.84 4.32 0.00 2.84 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 8 V 7.47 3.56 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 0.80 0.00 0.00 0.96 0.00 0.00 9 I 7.64 3.69 1.50 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 1.57 0.80 0.29 0.00 0.00 10 H 8.22 4.16 0.00 3.34 3.50 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.20 4.14 0.00 1.92 1.96 0.00 3.20 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.98 0.00 12 S 7.84 4.50 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 13 L 7.06 4.33 0.00 1.62 1.64 0.96 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 14 D 9.55 4.50 0.00 2.75 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 15 K 7.76 4.81 0.00 1.85 1.65 0.00 1.66 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.52 7.81 16 D 8.58 5.07 0.00 2.65 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.04 4.94 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 0.95 0.00 0.00 0.98 0.00 0.00 18 L 8.79 4.96 0.00 1.76 1.65 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 19 V 9.01 4.72 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 1.10 0.00 0.00 0.98 0.00 0.00 20 I 8.83 4.43 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.42 0.94 0.00 0.00 21 L 8.41 5.03 0.00 1.69 1.63 0.91 1.00 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 22 K 8.74 4.15 0.00 1.75 1.89 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.48 7.81 23 K 8.02 4.39 0.00 2.16 2.09 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.13 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.55 1.43 7.81 24 G 8.48 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 25 F 7.62 5.06 0.00 3.11 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 26 E 8.92 5.20 0.00 1.85 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 2.25 2.29 0.00 27 F 9.31 5.43 0.00 3.04 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 28 R 9.35 5.12 0.00 1.81 1.83 0.00 3.26 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 29 G 7.88 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 30 R 7.89 4.86 0.00 1.94 1.83 0.00 3.24 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 31 L 8.74 4.61 0.00 1.85 1.73 1.05 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.44 4.65 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.85 0.99 0.00 0.00 33 G 7.49 4.09 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 0.00 0.00 0.00 34 Y 7.76 5.62 0.00 3.01 2.93 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 0.00 0.00 0.00 0.00 35 D 7.99 4.84 0.00 2.83 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 36 I 8.28 3.81 1.84 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.65 0.69 0.00 0.00 37 H 8.39 4.63 0.00 3.32 3.30 0.00 5.82 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.06 3.79 0.00 1.85 1.81 0.92 0.76 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 39 N 8.21 4.84 0.00 3.00 2.74 0.00 0.00 6.78 7.68 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 40 V 8.75 5.06 2.11 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 0.75 0.00 0.00 0.91 0.00 0.00 41 V 8.68 4.80 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 1.08 0.00 0.00 0.90 0.00 0.00 42 L 9.13 5.28 0.00 1.46 1.50 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.87 4.96 1.22 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 44 D 8.71 4.44 0.00 2.76 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 45 A 8.29 5.19 1.35 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 0.00 0.00 46 E 9.34 5.25 0.00 2.05 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 2.40 2.30 0.00 47 M 9.26 4.75 0.00 2.22 2.32 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.43 0.00 48 I 8.97 4.90 1.82 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.56 0.91 0.00 0.00 49 Q 8.91 3.97 0.00 1.53 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.24 0.00 0.00 0.00 0.00 0.00 1.91 1.48 0.00 50 D 9.40 4.46 0.00 2.68 2.59 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 51 G 8.31 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 7.69 4.49 0.00 1.96 1.86 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 2.18 2.18 0.00 53 V 8.28 4.19 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 0.86 0.00 0.00 0.97 0.00 0.00 54 V 8.56 4.49 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 0.75 0.00 0.00 1.04 0.00 0.00 55 K 7.74 4.61 0.00 1.76 1.35 0.00 1.76 0.00 0.00 1.96 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.49 7.81 56 R 7.96 5.15 0.00 1.52 1.72 0.00 3.12 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 57 Y 9.49 4.70 0.00 2.87 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 58 G 9.04 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 59 K 7.88 5.16 0.00 1.71 1.65 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.47 7.81 60 I 8.91 4.47 1.54 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.47 0.59 0.00 0.00 61 V 8.24 4.64 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 0.81 0.00 0.00 0.87 0.00 0.00 62 I 8.48 4.37 1.74 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.16 0.91 0.00 0.00 63 R 8.52 4.41 0.00 1.86 1.84 0.00 3.12 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 64 G 8.87 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.16 4.28 0.00 2.62 2.72 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 66 N 7.87 4.70 0.00 2.80 2.84 0.00 0.00 6.92 7.69 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 67 V 7.65 4.13 2.22 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 0.86 0.00 0.00 0.97 0.00 0.00 68 L 9.10 4.50 0.00 1.71 1.71 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.61 4.74 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 70 I 8.17 5.08 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.72 0.94 0.00 0.00 71 S 9.18 4.61 0.00 3.82 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 72 P 0.00 4.54 0.00 1.97 1.97 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 73 T 8.81 4.24 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