NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6279 8.3649 120.1974 54.1080 41.2634 172.8474 2 T 4.4434 8.7494 119.7241 60.7036 71.3095 173.5372 3 T 4.8173 8.3830 121.9964 60.5553 68.5066 174.4626 4 V 3.7882 7.7764 121.5886 65.1117 32.4042 175.7378 5 S 4.5993 7.9414 115.6470 56.9166 64.0495 173.2148 6 E 4.1301 8.7405 126.2512 55.6913 30.2452 174.3789 7 P 5.1228 0.0000 0.0000 62.8147 32.1772 176.1413 8 A 4.3898 8.8889 124.7502 50.7639 19.6826 175.9530 9 P 4.3168 0.0000 0.0000 62.6015 31.9513 178.1890 10 S 4.1755 8.8440 118.7132 61.8118 63.0140 174.4377 11 C 4.4560 8.2194 112.6617 55.9692 41.8238 172.4157 12 V 4.8383 7.7675 122.0793 61.9061 32.0194 175.0280 13 T 4.6482 8.9042 119.1729 60.1676 71.4637 173.1743 14 L 5.1122 8.4468 125.1785 53.6311 43.9792 174.6172 15 Y 4.9077 9.3276 127.6581 55.7978 41.7800 173.8697 16 Q 4.6796 8.1701 126.8077 54.4807 32.1424 174.2986 17 S 4.7703 8.3106 122.5791 55.8312 65.9313 174.4537 18 W 2.5400 8.1123 115.9233 58.2649 27.8672 177.6297 19 R 3.4829 6.2677 113.1372 55.5049 30.4733 175.2958 20 Y 4.9198 7.1743 115.3297 56.0280 42.1439 174.7797 21 S 5.1846 8.6494 117.6446 57.0484 65.5541 173.2510 22 Q 5.1771 9.7081 124.1114 53.9416 32.2082 174.3527 23 A 5.1147 9.2137 124.7222 50.2202 21.7073 174.9094 24 D 5.0669 9.1351 123.3125 52.4973 43.7681 174.8390 25 N 4.7744 9.0797 127.0906 52.5616 39.4252 174.6810 26 G 4.1282 8.6826 113.1884 46.2377 0.0000 171.6784 27 C 4.7315 8.6061 118.6967 55.4798 41.5715 173.5402 28 A 4.0981 7.9830 121.6370 52.9373 18.5551 176.9536 29 E 4.8024 7.5967 112.2283 53.8317 32.7744 175.5589 30 T 4.2525 8.3895 116.4830 63.9486 69.0705 174.4763 31 V 4.4720 8.5041 119.1310 59.9309 35.2794 175.1494 32 T 5.0774 8.4112 119.4907 62.3524 70.4799 173.7210 33 V 5.1256 8.7654 120.0353 59.3335 35.7442 175.1081 34 K 5.0207 8.7913 120.5018 55.2679 36.4563 175.5315 35 V 3.8345 8.2354 121.8940 62.5162 33.1606 174.6053 36 V 4.4729 7.9548 127.7178 61.4441 33.3248 174.9357 37 Y 4.8521 8.8600 126.4768 56.8604 39.4059 176.5520 38 E 4.0283 9.2500 121.1705 60.0528 29.7023 178.5603 39 D 4.6935 8.1070 116.3672 52.8639 39.1863 176.0508 40 D 4.7441 7.7695 116.5937 54.6641 39.1703 173.9056 41 T 4.4833 7.8453 109.2919 62.3638 70.7925 173.0445 42 E 5.1285 8.5881 120.5633 54.7352 33.5029 176.3546 43 G 4.1666 8.6192 109.8237 45.2632 0.0000 173.1723 44 L 4.4345 8.5508 119.6873 54.7963 42.7341 177.3570 45 C 5.0795 8.3175 117.5379 56.1679 42.9031 173.1358 46 Y 4.7924 8.9880 120.1349 56.0090 41.3601 174.4127 47 A 4.8080 8.6838 125.1710 51.1171 20.3507 176.7099 48 V 4.2910 8.9158 123.5743 60.7255 33.7564 174.9755 49 A 4.4277 8.5217 130.1924 51.0365 19.6971 174.8724 50 P 4.4174 0.0000 0.0000 64.0857 31.8882 177.1371 51 G 3.8880 9.1483 110.5212 45.6559 0.0000 172.6546 52 Q 4.6494 7.8062 120.3930 53.8917 31.8992 173.9415 53 I 4.9441 8.2794 125.7320 59.6575 39.8636 174.6194 54 T 4.6346 8.7635 125.5182 61.8525 72.7375 173.2780 55 T 4.3684 8.3477 122.2949 63.5288 68.8169 174.7590 56 V 3.0474 8.2592 118.9605 60.4724 33.5586 175.4172 57 G 4.1709 7.1520 106.8515 46.0730 0.0000 172.8199 58 D 4.8631 9.0939 120.0776 53.7959 41.6122 176.8915 59 G 3.6951 8.1203 110.9687 44.8186 0.0000 173.8918 60 Y 4.6127 7.6989 115.1762 57.1013 37.8612 176.7242 61 I 3.9718 7.6474 121.4802 63.2224 38.6243 176.3586 62 G 3.8140 7.9293 109.8114 45.0924 0.0000 174.7126 63 S 4.2285 8.2510 114.1516 60.4530 63.2152 175.0305 64 H 4.7586 7.2148 117.2287 55.4901 29.7800 176.3228 65 G 4.0929 7.8241 108.0248 45.9538 0.0000 172.5164 66 H 4.7467 8.7679 118.3282 55.3695 29.6208 174.2822 67 A 4.4470 8.9430 127.5388 51.9830 18.9281 177.6188 68 R 4.3483 8.9651 124.3425 58.8112 30.1196 176.4058 69 Y 4.7947 7.4015 114.1450 56.2102 41.7928 172.2759 70 L 4.7535 8.5184 119.2076 53.4892 43.4466 176.4054 71 A 4.9827 8.7332 126.0615 50.6310 21.1150 176.2295 72 R 4.4469 8.9588 120.8127 56.5344 30.9589 175.1234 73 C 4.8900 9.0492 123.8240 55.2885 42.0136 174.0224 74 L 4.3245 8.3808 122.1378 54.9232 41.8690 176.3021 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 D 8.36 4.63 0.00 2.67 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 2 T 8.75 4.44 4.30 0.00 0.00 0.00 0.00 0.00 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 3 T 8.38 4.82 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 1.17 0.00 0.00 4 V 7.78 3.79 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 0.88 0.00 0.00 0.96 0.00 0.00 5 S 7.94 4.60 0.00 3.99 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.74 4.13 0.00 2.08 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 2.41 2.37 0.00 7 P 0.00 5.12 0.00 2.01 1.97 0.00 3.75 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 2.00 1.96 0.00 8 A 8.89 4.39 1.28 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 0.00 0.00 0.00 9 P 0.00 4.32 0.00 2.20 2.00 0.00 3.65 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 2.12 2.12 0.00 10 S 8.84 4.18 0.00 3.86 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 11 C 8.22 4.46 0.00 3.06 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 12 V 7.77 4.84 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 0.81 0.00 0.00 1.03 0.00 0.00 13 T 8.90 4.65 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 14 L 8.45 5.11 0.00 1.66 1.63 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.33 4.91 0.00 3.02 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.17 4.68 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.51 0.00 0.00 0.00 0.00 0.00 2.19 2.38 0.00 17 S 8.31 4.77 0.00 3.83 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 18 W 8.11 2.54 0.00 3.14 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 19 R 6.27 3.48 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 20 Y 7.17 4.92 0.00 2.86 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.65 5.18 0.00 3.85 3.69 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 0.00 22 Q 9.71 5.18 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.19 2.44 0.00 23 A 9.21 5.11 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 24 D 9.14 5.07 0.00 2.70 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.08 4.77 0.00 2.90 2.91 0.00 0.00 6.57 7.35 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 26 G 8.68 4.13 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 0.00 0.00 0.00 27 C 8.61 4.73 0.00 3.19 3.25 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 28 A 7.98 4.10 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 29 E 7.60 4.80 0.00 2.03 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 2.16 2.23 0.00 30 T 8.39 4.25 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 31 V 8.50 4.47 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 0.70 0.00 0.00 0.94 0.00 0.00 32 T 8.41 5.08 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 1.21 0.00 0.00 33 V 8.77 5.13 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 0.78 0.00 0.00 0.96 0.00 0.00 34 K 8.79 5.02 0.00 1.87 1.90 0.00 1.40 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.27 7.81 35 V 8.24 3.83 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.81 0.00 0.00 36 V 7.95 4.47 1.28 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 0.92 0.00 0.00 0.31 0.00 0.00 37 Y 8.86 4.85 0.00 3.14 3.06 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 0.00 0.00 0.00 38 E 9.25 4.03 0.00 2.05 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 0.00 2.62 2.50 0.00 39 D 8.11 4.69 0.00 2.84 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 40 D 7.77 4.74 0.00 2.95 2.90 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 0.00 0.00 0.00 41 T 7.85 4.48 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 42 E 8.59 5.13 0.00 1.81 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 2.07 2.25 0.00 43 G 8.62 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 0.00 0.00 0.00 0.00 44 L 8.55 4.43 0.00 1.41 1.31 0.87 0.81 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 45 C 8.32 5.08 0.00 2.75 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 46 Y 8.99 4.79 0.00 2.88 2.81 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 47 A 8.68 4.81 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 48 V 8.92 4.29 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 0.94 0.00 0.00 0.95 0.00 0.00 49 A 8.52 4.43 1.25 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 50 P 0.00 4.42 0.00 2.05 2.28 0.00 3.75 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 51 G 9.15 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 52 Q 7.81 4.65 0.00 2.29 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.72 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 53 I 8.28 4.94 2.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.99 0.83 0.00 0.00 54 T 8.76 4.63 4.15 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 0.00 0.00 0.00 1.09 0.00 0.00 55 T 8.35 4.37 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 56 V 8.26 3.05 1.81 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 0.40 0.00 0.00 0.79 0.00 0.00 57 G 7.15 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 0.00 0.00 0.00 0.00 58 D 9.09 4.86 0.00 2.74 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 59 G 8.12 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 0.00 0.00 0.00 60 Y 7.70 4.61 0.00 2.57 3.06 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 0.00 0.00 0.00 61 I 7.65 3.97 2.21 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 1.30 0.88 1.17 0.00 0.00 62 G 7.93 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 63 S 8.25 4.23 0.00 3.90 3.92 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 64 H 7.21 4.76 0.00 2.19 2.44 0.00 5.95 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 7.82 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 66 H 8.77 4.75 0.00 3.25 3.28 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.94 4.45 1.20 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 0.00 0.00 68 R 8.97 4.35 0.00 1.96 2.28 0.00 3.31 0.00 0.00 3.61 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.68 0.00 69 Y 7.40 4.79 0.00 2.94 2.95 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 70 L 8.52 4.75 0.00 1.64 1.60 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.73 4.98 1.13 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 0.00 0.00 72 R 8.96 4.45 0.00 2.07 1.86 0.00 3.26 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 73 C 9.05 4.89 0.00 2.85 2.98 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 0.00 0.00 0.00 74 L 8.38 4.32 0.00 1.59 1.52 0.96 0.87 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