NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3245 8.1749 117.3718 62.5909 69.6203 173.4614 2 P 4.3144 0.0000 0.0000 61.6696 32.6631 174.1841 3 D 4.3395 8.9104 122.9771 55.7616 41.3968 175.6535 4 C 4.8488 9.0408 122.1228 57.6522 43.8205 174.0407 5 V 4.6757 7.2310 116.5790 60.6196 34.4899 172.7503 6 T 4.9692 9.1102 118.2052 60.9310 72.1736 173.9415 7 G 3.9331 7.9800 111.1068 46.4002 0.0000 171.4341 8 K 4.8237 8.1987 118.8680 55.4569 33.4357 177.6977 9 V 3.8041 8.2052 122.7463 62.8053 31.6111 175.4832 10 E 4.3414 9.0148 130.5489 59.2128 30.2951 175.7168 11 Y 5.0040 7.0030 115.1180 56.4625 41.1772 173.3041 12 T 5.1181 8.6198 109.2324 59.8639 72.4059 173.1259 13 K 4.5642 8.2834 123.1922 55.0489 35.8959 174.0742 14 Y 4.8985 8.8100 128.6073 56.6518 39.9828 174.6493 15 N 4.9052 8.4546 124.1044 51.5282 40.5849 175.7247 16 D 4.4100 8.5735 119.2885 57.0435 41.4341 176.4785 17 D 4.6340 7.9626 116.7149 52.9133 39.4842 176.2956 18 D 4.0274 7.9707 117.2285 55.3900 39.0141 173.8447 19 T 4.4800 7.6974 111.0704 60.8504 71.4098 173.1584 20 F 5.2888 8.9587 122.8870 56.8642 42.7703 173.3212 21 T 5.2633 8.6530 122.5805 61.9931 71.3795 173.7993 22 V 4.7170 8.9833 117.7630 59.3698 36.1681 174.5191 23 K 4.6626 8.2530 125.0479 54.6760 34.0478 175.0209 24 V 4.5869 8.0209 127.4941 60.7900 34.7884 174.8176 25 G 3.7219 8.9027 116.0839 47.3340 0.0000 173.7309 26 D 4.8691 8.8412 123.2856 52.3632 39.6372 175.4021 27 K 4.8146 7.9383 119.3406 55.1013 35.5148 174.8409 28 E 4.9039 9.6068 124.6875 55.1085 31.0976 175.2535 29 L 5.4950 8.9573 124.2930 52.8290 46.2648 175.4424 30 F 5.6459 9.2620 115.1208 55.5563 41.9486 173.5446 31 T 4.4207 9.1075 113.5026 58.8803 70.6135 173.7586 32 N 4.7294 8.6150 123.0707 52.6212 38.0645 175.0779 33 R 4.2377 7.7397 120.2173 55.1449 29.7639 177.2626 34 W 4.2882 8.6623 122.5991 59.4453 28.0698 177.8403 35 N 3.3214 6.8469 115.8357 55.2551 38.0618 176.3162 36 L 4.2172 7.6281 119.4803 56.0530 41.8812 178.9414 37 Q 3.1852 7.7734 119.3322 58.8258 28.6674 178.9555 38 S 4.1889 7.8903 114.4670 61.1260 63.1456 176.3353 39 L 3.8846 7.7507 122.4124 57.6409 41.4893 179.1667 40 L 4.2875 8.3207 119.2104 57.6618 41.5081 179.2848 41 L 4.1513 8.2549 120.3748 58.4461 42.0289 179.2211 42 S 4.1148 8.3053 114.8600 61.5063 62.8392 176.5650 43 A 4.0328 8.1914 123.5748 55.0847 17.9260 179.4456 44 Q 3.9537 8.0089 117.0002 59.4938 29.2831 178.2380 45 I 3.9013 7.8703 119.8520 64.3739 37.3153 177.8872 46 T 4.3325 8.1083 107.8669 61.2910 69.2147 175.0036 47 G 3.8440 7.9244 109.3607 46.8839 0.0000 174.0591 48 M 4.3216 8.0446 117.8112 55.1823 32.8864 175.8265 49 T 4.6487 8.2860 117.2729 62.7374 70.3880 174.4233 50 V 4.8349 8.7839 119.1732 59.7684 35.7992 174.5681 51 T 4.8270 8.4755 119.7341 61.9053 71.1526 173.1822 52 I 4.5083 8.5255 127.7825 59.4753 39.4124 174.6615 53 K 4.8398 8.3623 126.7921 55.0795 33.4443 175.6991 54 T 4.5395 8.0791 117.2627 61.0899 70.7242 172.5863 55 N 4.7271 8.7753 122.6832 52.6908 38.2470 175.5278 56 A 4.7664 7.9219 120.6244 51.4192 18.9776 177.1110 57 C 4.8128 7.7503 125.1171 54.3202 42.0385 171.6333 58 H 5.0736 7.3116 117.6524 53.0442 31.8869 173.4560 59 N 4.6080 8.6991 117.8024 55.2233 38.6300 175.9869 60 G 4.0838 9.3542 111.2193 45.3396 0.0000 174.0255 61 G 3.8445 7.6414 107.8152 45.6973 0.0000 173.2796 62 G 3.7318 8.3198 108.4497 44.3174 0.0000 172.8317 63 F 5.2033 8.0879 115.8948 55.2716 41.6162 175.0644 64 S 4.5107 8.7747 110.7775 57.4947 64.7698 173.1765 65 E 4.7820 8.2878 121.5594 54.7641 32.0564 175.0251 66 V 4.6960 8.3487 123.1836 61.0744 35.2007 174.2100 67 I 4.4030 8.4983 127.3722 59.4579 40.1732 174.3060 68 F 4.8619 8.8015 125.7554 56.1097 40.2764 176.1403 69 R 4.3343 8.8304 122.6697 56.2313 29.8087 176.1905 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 T 8.17 4.32 4.32 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 1.20 0.00 0.00 2 P 0.00 4.31 0.00 2.13 1.94 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 3 D 8.91 4.34 0.00 2.52 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 4 C 9.04 4.85 0.00 2.88 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 5 V 7.23 4.68 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 0.66 0.00 0.00 0.86 0.00 0.00 6 T 9.11 4.97 4.19 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 0.00 0.00 0.00 1.22 0.00 0.00 7 G 7.98 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 8 K 8.20 4.82 0.00 1.65 1.75 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.43 7.81 9 V 8.21 3.80 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 0.76 0.00 0.00 0.97 0.00 0.00 10 E 9.01 4.34 0.00 1.95 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 2.55 2.34 0.00 11 Y 7.00 5.00 0.00 3.05 3.02 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 0.00 0.00 0.00 12 T 8.62 5.12 3.67 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 0.00 0.00 0.00 1.38 0.00 0.00 13 K 8.28 4.56 0.00 1.86 1.62 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.39 7.81 14 Y 8.81 4.90 0.00 3.31 2.92 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 0.00 0.00 0.00 15 N 8.45 4.91 0.00 2.88 2.63 0.00 0.00 6.25 7.60 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 16 D 8.57 4.41 0.00 2.64 2.70 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 17 D 7.96 4.63 0.00 2.76 2.67 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 0.00 0.00 0.00 0.00 18 D 7.97 4.03 0.00 2.86 2.86 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 19 T 7.70 4.48 4.56 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 1.25 0.00 0.00 20 F 8.96 5.29 0.00 3.06 2.94 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 0.00 0.00 0.00 21 T 8.65 5.26 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 1.31 0.00 0.00 22 V 8.98 4.72 2.05 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 0.91 0.00 0.00 0.90 0.00 0.00 23 K 8.25 4.66 0.00 0.86 0.74 0.00 1.47 0.00 0.00 1.43 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.09 1.14 7.81 24 V 8.02 4.59 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 0.79 0.00 0.00 0.78 0.00 0.00 25 G 8.90 3.72 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 0.00 0.00 0.00 26 D 8.84 4.87 0.00 2.77 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 27 K 7.94 4.81 0.00 1.60 1.66 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.46 7.81 28 E 9.61 4.90 0.00 2.06 1.93 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 2.27 2.33 0.00 29 L 8.96 5.50 0.00 1.57 1.81 0.65 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 30 F 9.26 5.65 0.00 3.19 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 31 T 9.11 4.42 2.69 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 0.00 0.00 0.00 1.12 0.00 0.00 32 N 8.62 4.73 0.00 2.91 3.05 0.00 0.00 6.11 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 33 R 7.74 4.24 0.00 1.74 1.78 0.00 3.21 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 34 W 8.66 4.29 0.00 3.62 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 6.85 3.32 0.00 2.11 2.49 0.00 0.00 6.93 7.85 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 36 L 7.63 4.22 0.00 1.79 1.76 0.89 1.11 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 37 Q 7.77 3.19 0.00 2.07 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 1.47 2.27 0.00 38 S 7.89 4.19 0.00 4.04 4.14 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 39 L 7.75 3.88 0.00 1.96 1.70 0.88 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.32 4.29 0.00 2.15 2.08 1.37 0.82 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 41 L 8.25 4.15 0.00 2.07 1.89 1.12 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.31 4.11 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 43 A 8.19 4.03 1.60 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 44 Q 8.01 3.95 0.00 2.18 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.89 0.00 0.00 0.00 0.00 0.00 2.44 2.65 0.00 45 I 7.87 3.90 2.04 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 1.62 0.85 0.93 0.00 0.00 46 T 8.11 4.33 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 1.28 0.00 0.00 47 G 7.92 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 48 M 8.04 4.32 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.60 0.00 49 T 8.29 4.65 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 1.19 0.00 0.00 50 V 8.78 4.83 1.75 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 0.84 0.00 0.00 0.85 0.00 0.00 51 T 8.48 4.83 4.12 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 0.00 0.00 1.11 0.00 0.00 52 I 8.53 4.51 1.52 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.45 0.20 0.00 0.00 53 K 8.36 4.84 0.00 1.58 1.69 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.28 7.81 54 T 8.08 4.54 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 1.22 0.00 0.00 55 N 8.78 4.73 0.00 2.85 2.88 0.00 0.00 5.80 7.26 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 56 A 7.92 4.77 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 57 C 7.75 4.81 0.00 2.92 3.02 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 0.00 0.00 0.00 58 H 7.31 5.07 0.00 3.36 3.34 0.00 5.72 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.70 4.61 0.00 2.79 2.87 0.00 0.00 7.00 7.65 0.00 0.00 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 G 9.35 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 61 G 7.64 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 62 G 8.32 3.73 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 0.00 0.00 0.00 63 F 8.09 5.20 0.00 2.92 2.94 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 0.00 0.00 0.00 64 S 8.77 4.51 0.00 3.84 3.79 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 0.00 0.00 0.00 0.00 65 E 8.29 4.78 0.00 2.10 1.85 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 2.27 2.26 0.00 66 V 8.35 4.70 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 1.08 0.00 0.00 67 I 8.50 4.40 1.75 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 1.18 0.54 0.88 0.00 0.00 68 F 8.80 4.86 0.00 2.93 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 69 R 8.83 4.33 0.00 1.77 1.82 0.00 3.17 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00