NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4409 8.1627 118.3253 55.1833 33.5384 173.5882 2 Q 4.6368 8.2658 121.5416 53.4893 30.7810 172.9131 3 I 4.7044 9.1553 120.0203 59.0741 42.0016 173.5737 4 F 5.3716 8.8211 121.3318 55.9048 41.9516 175.1782 5 V 4.8717 8.8265 121.4078 61.2407 34.4394 174.1867 6 K 5.2088 9.1529 128.0992 54.9197 34.7380 175.9962 7 T 5.0519 8.6028 114.5879 60.0765 71.3288 175.5209 8 L 4.1641 8.5316 121.0851 56.9124 41.9278 178.2761 9 T 4.0684 7.8114 107.2244 62.2225 69.1064 175.3472 10 G 3.9583 7.9984 111.1025 45.1215 0.0000 173.5626 11 K 4.3967 7.9622 119.4519 55.8663 33.8474 176.1326 12 T 4.9243 8.4291 120.0065 62.0665 70.6818 173.6861 13 I 4.5285 8.9577 128.5536 60.3650 39.2906 175.1670 14 T 5.0290 8.3858 114.1220 60.0126 71.5973 173.1834 15 L 4.7897 8.4788 122.0346 53.1481 46.4152 175.2077 16 E 4.8897 8.7126 121.9482 55.2381 30.5277 175.6724 17 V 4.7011 8.8935 117.4442 59.7997 36.3547 174.5574 18 E 4.7336 9.4778 120.8273 53.9183 32.1085 176.0124 19 P 4.1428 0.0000 0.0000 65.5171 31.5335 178.0712 20 S 4.5215 7.8635 109.8450 58.4897 63.8973 174.1518 21 D 4.4773 8.0825 123.1265 54.5697 41.3536 176.1245 22 T 4.7697 8.1386 113.0389 60.9908 71.4750 175.8909 23 I 3.7104 8.2579 122.7454 64.8373 37.0682 178.7450 24 E 3.9671 8.1410 118.8173 59.0181 29.4539 178.6160 25 N 4.2586 8.0414 117.0052 56.6384 39.0079 177.0108 26 V 3.5564 7.7660 119.4852 66.1107 31.6222 178.1738 27 K 4.3064 8.5677 119.4376 58.8489 31.7440 179.2177 28 A 3.9965 8.2045 121.2040 55.0935 17.7388 179.8735 29 K 4.0586 8.0093 116.6775 59.5144 32.0606 179.7077 30 I 3.7223 7.7815 120.2889 64.3256 36.9524 178.1396 31 Q 4.1535 8.1339 121.7776 58.8542 28.6578 178.1051 32 D 4.3661 8.1590 118.8537 56.9867 40.8562 178.2784 33 K 4.2824 7.5044 116.6494 57.6995 32.8395 177.8720 34 E 4.5804 8.5755 116.3737 55.0586 30.8665 177.2416 35 G 3.8931 8.2144 106.8613 45.5425 0.0000 173.4370 36 I 4.0906 7.3391 121.5297 59.4183 38.0996 173.7723 37 P 4.4828 0.0000 0.0000 61.9151 32.1617 175.4210 38 P 4.2377 0.0000 0.0000 65.9217 31.3158 177.8670 39 D 4.5691 8.0443 114.4049 54.7884 39.6708 176.4479 40 Q 4.4157 8.2008 118.9892 56.0053 29.4751 174.4006 41 Q 4.8947 7.9778 118.8347 54.1548 31.3094 174.6850 42 R 4.6525 8.9838 123.1669 54.4558 32.8720 174.7230 43 L 5.0992 8.4661 124.0343 53.2217 44.1763 175.5949 44 I 5.1258 8.7360 123.6487 59.6460 41.1991 174.3812 45 F 5.0570 9.2720 127.1952 57.4479 43.2707 174.0025 46 A 3.1961 8.7449 127.7267 53.1606 15.9194 177.1816 47 G 3.9463 8.2688 103.2744 47.3322 0.0000 174.1949 48 K 4.6563 7.7083 117.8657 53.9941 35.6698 175.6832 49 Q 4.5932 8.5936 122.0317 55.8329 29.3797 175.7276 50 L 4.0540 8.6700 124.7363 54.2052 42.8078 176.0708 51 E 4.8169 9.2030 122.4984 54.2302 32.2412 175.6284 52 D 4.6171 8.7643 123.2789 56.2637 41.4074 177.1098 53 G 3.9994 9.4183 111.3699 45.2616 0.0000 173.8612 54 R 4.5916 7.6084 118.4463 54.9721 31.7985 175.5294 55 T 4.9410 8.4123 109.8316 59.7638 71.2172 175.8436 56 L 3.9997 8.5912 122.4480 58.0160 41.9787 180.2664 57 S 4.1792 8.4402 113.3915 61.3236 63.0235 176.1170 58 D 4.2220 7.8574 119.7590 56.9999 40.5511 176.8758 59 Y 4.6099 7.3855 113.6694 57.1286 38.0052 175.0579 60 N 4.2583 8.0787 116.0377 54.3019 36.6719 174.3062 61 I 3.7091 7.6816 119.1862 60.5960 37.9380 175.5576 62 Q 4.7431 8.3532 124.6666 53.2815 32.0590 174.4059 63 K 4.0461 8.5062 119.4262 58.4148 32.3969 176.3344 64 E 3.9279 9.1966 124.2202 57.3752 27.7980 174.8927 65 S 4.5500 7.8552 114.9361 59.1904 64.2487 173.2960 66 T 5.1458 8.7013 118.7182 62.0825 70.3884 173.8419 67 L 5.0217 9.1139 126.7275 53.6781 44.6696 175.0964 68 H 5.3876 9.1240 118.3455 54.0072 31.7577 173.1184 69 L 5.1856 8.7197 124.1574 53.3902 44.1387 175.9424 70 V 4.6030 8.7767 118.8956 59.5640 35.4150 174.4910 71 L 5.0968 8.3384 123.2502 53.0061 43.6172 176.7906 72 R 4.1720 8.6996 121.1400 56.5922 29.5957 176.6141 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 4.44 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.72 0.00 2 Q 8.27 4.64 0.00 2.27 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.74 0.00 0.00 0.00 0.00 0.00 1.61 2.05 0.00 3 I 9.16 4.70 1.87 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 1.10 0.66 0.79 0.00 0.00 4 F 8.82 5.37 0.00 3.00 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 5 V 8.83 4.87 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 1.00 0.00 0.00 0.92 0.00 0.00 6 K 9.15 5.21 0.00 1.56 1.67 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.34 7.81 7 T 8.60 5.05 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 8 L 8.53 4.16 0.00 1.67 1.77 0.93 0.88 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 9 T 7.81 4.07 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 10 G 8.00 3.96 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 11 K 7.96 4.40 0.00 1.77 1.74 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.42 7.81 12 T 8.43 4.92 4.27 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 1.31 0.00 0.00 13 I 8.96 4.53 1.89 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 1.30 0.65 0.91 0.00 0.00 14 T 8.39 5.03 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 1.24 0.00 0.00 15 L 8.48 4.79 0.00 1.48 1.47 0.88 0.71 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 16 E 8.71 4.89 0.00 1.80 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 2.18 2.22 0.00 17 V 8.89 4.70 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 0.62 0.00 0.00 0.89 0.00 0.00 18 E 9.48 4.73 0.00 1.78 1.79 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 2.20 2.37 0.00 19 P 0.00 4.14 0.00 2.16 2.10 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 20 S 7.86 4.52 0.00 3.96 3.96 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 21 D 8.08 4.48 0.00 2.82 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 22 T 8.14 4.77 4.40 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 1.22 0.00 0.00 23 I 8.26 3.71 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.03 0.90 0.00 0.00 24 E 8.14 3.97 0.00 2.06 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 2.40 2.64 0.00 25 N 8.04 4.26 0.00 2.79 3.11 0.00 0.00 6.75 6.99 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 26 V 7.77 3.56 2.21 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 0.93 0.00 0.00 0.94 0.00 0.00 27 K 8.57 4.31 0.00 1.97 1.84 0.00 1.73 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.62 1.46 7.81 28 A 8.20 4.00 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 29 K 8.01 4.06 0.00 2.00 1.84 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.56 7.81 30 I 7.78 3.72 2.14 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 1.40 0.66 0.91 0.00 0.00 31 Q 8.13 4.15 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 32 D 8.16 4.37 0.00 2.86 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 33 K 7.50 4.28 0.00 1.75 1.85 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.45 7.81 34 E 8.58 4.58 0.00 1.93 1.96 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 2.35 2.43 0.00 35 G 8.21 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 0.00 0.00 0.00 36 I 7.34 4.09 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 1.42 1.30 0.91 0.00 0.00 37 P 0.00 4.48 0.00 2.31 1.97 0.00 3.76 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.24 0.00 2.17 2.12 0.00 3.59 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 39 D 8.04 4.57 0.00 2.77 2.79 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 40 Q 8.20 4.42 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 41 Q 7.98 4.89 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.52 0.00 42 R 8.98 4.65 0.00 1.81 1.82 0.00 3.11 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 43 L 8.47 5.10 0.00 1.54 1.52 0.89 0.74 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 44 I 8.74 5.13 1.92 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 1.12 0.73 0.92 0.00 0.00 45 F 9.27 5.06 0.00 2.97 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 46 A 8.74 3.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.27 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 48 K 7.71 4.66 0.00 1.94 1.74 0.00 1.87 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.62 7.81 49 Q 8.59 4.59 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 50 L 8.67 4.05 0.00 1.35 1.27 0.69 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.20 4.82 0.00 2.06 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 2.38 0.00 52 D 8.76 4.62 0.00 2.68 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 53 G 9.42 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.61 4.59 0.00 2.21 1.84 0.00 3.20 0.00 0.00 3.02 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 55 T 8.41 4.94 4.48 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 1.28 0.00 0.00 56 L 8.59 4.00 0.00 1.87 1.71 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.44 4.18 0.00 3.99 4.18 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 0.00 58 D 7.86 4.22 0.00 2.73 2.41 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 59 Y 7.39 4.61 0.00 2.94 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 60 N 8.08 4.26 0.00 3.09 3.02 0.00 0.00 6.90 6.96 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 61 I 7.68 3.71 1.81 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.22 0.59 0.00 0.00 62 Q 8.35 4.74 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.98 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 63 K 8.51 4.05 0.00 1.70 1.73 0.00 1.93 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.45 7.81 64 E 9.20 3.93 0.00 2.24 2.35 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 2.41 2.29 0.00 65 S 7.86 4.55 0.00 3.80 3.71 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 66 T 8.70 5.15 4.35 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 1.18 0.00 0.00 67 L 9.11 5.02 0.00 1.59 1.58 0.74 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.12 5.39 0.00 3.13 3.21 0.00 5.75 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.72 5.19 0.00 1.60 1.53 0.92 0.79 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 70 V 8.78 4.60 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 0.73 0.00 0.00 0.94 0.00 0.00 71 L 8.34 5.10 0.00 1.52 1.58 0.92 1.00 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 72 R 8.70 4.17 0.00 1.67 1.85 0.00 3.39 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00