NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 M 4.4711 8.4045 118.7933 54.1558 33.3241 175.9101 30 K 4.5482 8.1210 119.4439 55.1470 32.3280 179.5132 31 S 4.7370 7.8953 114.3777 58.1672 65.8324 176.8839 32 S 4.7816 8.1124 111.7652 58.9885 63.2042 174.6431 33 M 4.2708 7.8490 119.1630 57.6398 31.7235 176.0364 34 D 4.7204 7.9217 118.8600 54.9113 41.2324 175.9251 35 T 4.5390 7.7245 107.9949 60.9621 71.1099 173.4392 36 G 3.8374 8.6355 108.6352 46.6745 0.0000 174.2312 37 L 4.1307 7.9296 118.2169 54.3571 42.3733 176.8528 38 I 4.2083 8.0748 122.8080 60.5157 38.2413 176.8163 39 T 4.3774 8.1826 116.0175 60.8220 71.4369 175.5836 40 N 4.3352 8.5208 118.6376 56.5033 38.5813 177.2287 41 E 4.0097 8.2180 120.2374 59.2939 29.6165 178.9499 42 V 3.6696 7.6610 118.0141 65.5573 31.5522 177.6649 43 L 3.9380 8.1665 120.3409 58.3127 41.8394 178.3237 44 F 4.1098 8.3639 120.3447 61.5635 39.2855 176.6738 45 L 3.6055 8.1974 119.4396 58.4632 41.6835 179.0455 46 M 4.0239 8.3618 118.8685 58.7434 31.7379 178.9652 47 T 3.8971 8.0598 115.9931 66.4058 68.7516 177.1164 48 K 3.8221 8.0084 121.1111 59.3829 32.0311 178.9172 49 C 4.2904 8.0780 114.0324 60.7790 29.8494 175.8711 50 T 4.1108 7.6231 118.4755 66.2066 68.0610 176.7019 51 E 4.0511 7.9845 121.0761 59.2121 29.5284 179.1288 52 L 4.0225 7.8337 118.6599 57.7414 41.6604 179.3691 53 F 4.2566 8.4632 120.6320 61.2059 39.2950 177.2366 54 V 3.3601 7.9073 117.8643 66.1652 31.3253 178.2908 55 R 3.8523 8.0078 117.6780 59.2597 29.8326 178.4682 56 H 4.0818 8.5745 118.4565 59.1448 29.9240 176.9302 57 L 3.5936 7.9854 122.0075 57.9748 41.9687 178.5621 58 A 4.0172 7.9955 120.7529 55.3809 18.3449 179.8508 59 G 3.6029 8.1914 103.6724 47.8537 0.0000 175.7073 60 A 3.9622 8.4173 123.2477 54.8189 18.2795 179.4996 61 A 3.8729 7.9858 119.3840 55.3555 18.4339 179.3496 62 Y 3.9660 7.9874 117.4910 61.1599 38.9372 177.8356 63 T 4.1903 8.1344 118.0369 66.2495 68.4563 176.1221 64 E 3.5528 8.0471 119.3002 58.5864 29.5056 177.5134 65 E 3.9590 7.0263 117.2002 56.7810 30.8413 176.7184 66 F 4.7119 7.8685 115.1507 54.7101 40.1614 176.9869 67 G 3.8118 9.1828 110.1107 47.1897 0.0000 175.1920 68 Q 4.6332 8.8891 121.5270 55.1374 28.7892 174.8916 69 R 4.1053 8.0852 119.7674 55.4785 30.5417 174.5035 70 P 4.7447 0.0000 0.0000 62.0061 33.1613 174.7739 71 G 3.8769 8.4344 103.9742 46.6875 0.0000 173.7163 72 E 4.0432 7.7757 117.8374 54.4799 30.8228 175.9256 73 A 4.4753 7.8479 123.3763 50.2630 19.5622 176.7396 74 L 4.5429 8.6606 125.4802 55.5193 42.2453 176.5993 75 K 4.5629 8.3510 125.7543 54.7250 34.7157 176.7766 76 Y 4.0569 8.5457 119.7198 60.9660 38.5070 177.3823 77 E 3.8413 8.2803 118.0852 60.0803 29.2748 178.9437 78 H 4.1703 7.6465 116.8745 58.5019 28.7221 177.8293 79 L 3.8874 7.5967 120.6006 57.7466 41.5514 179.5663 80 S 3.9716 7.4548 114.1040 61.1038 62.7785 176.3661 81 Q 3.8460 7.8775 123.4116 59.1955 28.8888 178.5541 82 V 3.6129 7.8616 113.2849 63.9569 31.3143 178.7752 83 V 3.6628 7.4691 117.7529 65.7237 31.3799 177.6137 84 N 4.4843 8.0497 115.6629 55.9951 38.5324 176.7188 85 K 4.4161 7.8160 116.5267 55.3955 32.2035 176.2879 86 N 5.0464 7.4006 116.4753 51.2096 42.0994 175.7961 87 K 4.1012 8.7529 122.7759 59.3126 32.4765 178.8469 88 N 4.6137 8.1775 114.5836 54.8246 37.8961 175.4302 89 L 4.3401 7.6179 117.9399 54.4299 42.1489 177.7786 90 E 3.8900 8.1318 123.0237 59.2231 29.5285 178.9140 91 F 4.3978 8.2808 111.5153 58.7657 38.0608 175.3748 92 L 4.2856 6.9853 121.0969 54.7444 41.9002 178.2047 93 L 3.9087 7.7349 120.4193 58.1236 41.6104 178.9185 94 Q 4.1102 7.9327 117.4441 58.8708 29.2087 177.2094 95 I 4.1207 7.7222 118.1073 61.8539 39.3515 175.7257 96 V 4.4321 7.6238 119.1350 59.6113 31.0698 172.6747 97 P 4.5524 0.0000 0.0000 61.7519 32.3375 177.3748 98 Q 4.0983 8.7094 119.4291 58.2661 29.0990 176.3729 99 K 4.6352 7.9645 118.3448 55.1016 35.0194 176.6884 100 I 3.7930 8.3947 120.4955 59.9859 35.3876 172.2620 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 29 M 8.40 4.47 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 30 K 8.12 4.55 0.00 1.83 1.68 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.07 7.81 31 S 7.90 4.74 0.00 3.55 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 32 S 8.11 4.78 0.00 3.94 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 33 M 7.85 4.27 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 34 D 7.92 4.72 0.00 2.84 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 35 T 7.72 4.54 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 1.22 0.00 0.00 36 G 8.64 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 37 L 7.93 4.13 0.00 1.65 1.62 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.07 4.21 1.88 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 1.47 0.38 0.92 0.00 0.00 39 T 8.18 4.38 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 40 N 8.52 4.34 0.00 2.76 2.92 0.00 0.00 6.43 7.66 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 41 E 8.22 4.01 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 2.46 2.42 0.00 42 V 7.66 3.67 2.25 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 1.01 0.00 0.00 0.95 0.00 0.00 43 L 8.17 3.94 0.00 1.94 1.72 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 44 F 8.36 4.11 0.00 3.19 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 45 L 8.20 3.61 0.00 2.03 1.66 0.90 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 46 M 8.36 4.02 0.00 2.00 2.31 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.84 0.00 47 T 8.06 3.90 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 1.19 0.00 0.00 48 K 8.01 3.82 0.00 1.43 1.59 0.00 1.56 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.74 0.85 7.81 49 C 8.08 4.29 0.00 3.15 3.13 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 0.00 50 T 7.62 4.11 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 1.29 0.00 0.00 51 E 7.98 4.05 0.00 2.09 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 2.33 2.71 0.00 52 L 7.83 4.02 0.00 1.94 1.75 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.46 4.26 0.00 3.26 3.32 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 54 V 7.91 3.36 2.24 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 1.03 0.00 0.00 1.07 0.00 0.00 55 R 8.01 3.85 0.00 2.15 1.94 0.00 3.18 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 56 H 8.57 4.08 0.00 3.24 3.44 0.00 5.79 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 57 L 7.99 3.59 0.00 0.89 1.35 0.78 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.00 4.02 1.34 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 0.00 0.00 0.00 59 G 8.19 3.60 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 0.00 0.00 0.00 60 A 8.42 3.96 1.17 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 0.00 0.00 61 A 7.99 3.87 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 62 Y 7.99 3.97 0.00 3.23 3.14 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 0.00 0.00 0.00 0.00 63 T 8.13 4.19 4.28 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 1.23 0.00 0.00 64 E 8.05 3.55 0.00 2.19 1.87 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 2.27 2.42 0.00 65 E 7.03 3.96 0.00 1.47 1.12 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 0.00 1.47 1.47 0.00 66 F 7.87 4.71 0.00 2.55 2.73 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 0.00 0.00 0.00 0.00 67 G 9.18 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 8.89 4.63 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 69 R 8.09 4.11 0.00 1.90 1.90 0.00 3.28 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.58 0.00 70 P 0.00 4.74 0.00 2.21 2.06 0.00 3.98 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 71 G 8.43 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 72 E 7.78 4.04 0.00 1.16 1.12 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 0.00 2.08 1.47 0.00 73 A 7.85 4.48 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 74 L 8.66 4.54 0.00 1.95 1.79 1.19 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.35 4.56 0.00 1.63 1.73 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.69 1.37 7.81 76 Y 8.55 4.06 0.00 3.07 2.99 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 77 E 8.28 3.84 0.00 2.17 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 2.13 2.24 0.00 78 H 7.65 4.17 0.00 3.23 3.25 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.60 3.89 0.00 1.53 1.53 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 80 S 7.45 3.97 0.00 3.92 3.74 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 81 Q 7.88 3.85 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 82 V 7.86 3.61 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 0.87 0.00 0.00 0.92 0.00 0.00 83 V 7.47 3.66 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 0.79 0.00 0.00 0.84 0.00 0.00 84 N 8.05 4.48 0.00 2.86 2.82 0.00 0.00 7.06 7.15 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 85 K 7.82 4.42 0.00 1.74 1.80 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.56 7.81 86 N 7.40 5.05 0.00 2.95 2.88 0.00 0.00 7.01 7.37 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 87 K 8.75 4.10 0.00 1.84 1.88 0.00 1.67 0.00 0.00 1.88 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.44 7.81 88 N 8.18 4.61 0.00 2.97 3.03 0.00 0.00 5.98 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 7.62 4.34 0.00 1.85 1.57 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.13 3.89 0.00 2.18 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 2.35 2.27 0.00 91 F 8.28 4.40 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 92 L 6.99 4.29 0.00 1.57 1.54 0.96 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.73 3.91 0.00 1.62 1.73 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 7.93 4.11 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.13 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 95 I 7.72 4.12 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 1.59 0.86 0.97 0.00 0.00 96 V 7.62 4.43 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 0.79 0.00 0.00 0.94 0.00 0.00 97 P 0.00 4.55 0.00 2.28 2.11 0.00 4.06 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 2.16 2.00 0.00 98 Q 8.71 4.10 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 99 K 7.96 4.64 0.00 1.76 1.68 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.42 7.81 100 I 8.39 3.79 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 1.27 0.63 0.91 0.00 0.00