NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.4592 8.1749 111.0783 61.7198 70.5920 172.4166 3 I 4.2790 8.3930 123.4621 58.9660 39.2075 173.1360 4 Q 5.1334 9.4724 128.6002 54.3248 31.7717 174.0698 5 L 4.9719 9.0003 125.1036 53.2801 46.5530 175.2423 6 T 4.8414 8.3877 117.2858 62.0953 71.3653 173.8172 7 V 4.3707 8.7014 126.4418 59.9087 31.4054 173.9161 8 P 4.3295 0.0000 0.0000 64.8767 31.6326 177.5498 9 T 4.2415 7.8538 105.7294 61.8810 69.3651 174.6543 10 I 3.5774 7.5900 123.8363 62.2337 37.1209 175.3924 11 A 4.5739 8.2358 127.7362 52.5214 20.8299 175.5795 12 C 4.6696 7.3004 109.5119 56.5556 33.0351 174.1830 13 E 3.9024 8.4474 120.2516 59.2524 28.9613 178.2525 14 A 4.0348 7.9927 120.4976 55.3418 18.3582 179.2857 15 C 3.9981 8.2468 115.7774 62.2128 28.2470 175.7425 16 A 3.8359 7.7944 122.4156 55.2960 17.8840 179.3874 17 E 3.8090 8.6039 117.8240 59.1318 29.6388 178.6630 18 A 3.9920 8.1600 121.1498 55.3317 18.4708 179.7514 19 V 3.4657 7.8218 116.8989 66.3359 31.4413 178.3486 20 T 3.8203 8.0009 115.4632 66.7567 68.3376 176.8901 21 K 3.9588 8.5229 120.4743 59.1339 31.6608 179.3475 22 A 3.9914 8.2636 121.5101 55.1346 18.2459 179.8610 23 V 3.6284 7.7828 116.7273 66.3419 31.5680 178.1831 24 Q 4.2146 8.4384 117.3251 58.1307 28.3388 177.8748 25 N 4.3049 8.1493 118.0982 56.2955 38.9825 176.0943 26 E 4.5195 7.5183 119.2319 57.0326 30.5993 175.8473 27 D 4.6533 8.2707 120.2517 51.8263 41.9773 175.7300 28 A 4.2974 8.4335 129.1445 53.9902 18.6073 178.0164 29 Q 4.3189 8.0592 112.9251 55.9026 29.2151 175.9738 30 A 4.5368 7.9510 121.1949 52.0997 19.2342 177.2312 31 T 4.6752 8.7777 110.9954 59.8782 71.8003 173.3973 32 V 4.8241 8.2624 122.9470 61.2646 34.9143 173.9170 33 Q 4.6481 9.1322 128.5779 54.1862 31.8968 173.9299 34 V 4.7597 8.4145 125.6472 61.1001 34.3169 173.8403 35 D 4.7073 8.7893 128.0844 52.7578 41.7051 177.1660 36 L 4.0763 8.6579 127.0429 58.0451 42.2111 179.0950 37 T 4.0116 8.0380 114.7769 66.5804 68.4569 175.6994 38 S 4.2928 8.1479 113.4182 58.3091 63.7943 174.9893 39 K 3.9288 8.1552 119.6128 56.9420 30.0403 174.7834 40 K 4.6638 7.8325 119.5155 55.9987 33.4242 175.9964 41 V 4.7146 9.2998 125.5948 61.4043 34.0228 174.1716 42 T 5.0258 9.0721 125.1362 61.8626 71.1928 173.2572 43 I 4.9488 8.9015 127.2809 59.7509 41.1476 174.5425 44 T 4.7394 8.7375 123.9235 62.2293 70.0689 173.5678 45 S 4.9782 8.3348 119.4643 57.1217 65.2214 174.1571 46 A 4.2037 8.7410 125.9605 53.4981 18.5133 178.3042 47 L 4.3939 7.8905 116.4782 54.0311 42.6532 177.6721 48 G 3.9686 8.9996 109.2623 43.4098 0.0000 174.7108 49 E 3.9407 8.5637 119.6936 59.5388 29.5242 178.6233 50 E 4.0206 8.1231 117.9568 59.3696 29.4841 179.1219 51 Q 4.0151 8.0415 117.6972 58.9748 28.7724 178.7988 52 L 3.9807 8.1150 119.9636 57.8197 41.7035 179.5683 53 R 3.9311 8.3564 118.4411 59.7287 30.0317 179.3214 54 T 3.8790 8.1255 115.0840 66.4311 68.2489 176.5514 55 A 4.0201 7.9826 121.7216 55.4137 18.8386 179.5292 56 I 3.8488 8.0242 118.0285 64.5638 37.1502 178.6681 57 A 4.5428 8.0741 122.7729 54.6484 17.9130 179.8166 58 S 4.0668 8.0998 112.9141 61.1764 62.9367 175.6821 59 A 4.4399 7.8016 120.8835 52.1867 18.6577 177.9177 60 G 3.6767 8.3082 106.1923 45.1415 0.0000 172.9066 61 Y 4.5012 7.8471 120.0761 56.2114 39.2302 175.7779 62 E 4.2314 8.7719 121.7354 55.6256 30.6009 172.6016 63 V 4.5016 8.0609 122.5027 60.1975 33.1865 175.5069 64 E 4.1611 9.0552 126.2712 56.8754 29.1910 176.7326 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 2 T 8.17 4.46 4.33 0.00 0.00 0.00 0.00 0.00 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 3 I 8.39 4.28 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 1.11 0.87 0.91 0.00 0.00 4 Q 9.47 5.13 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.79 0.00 0.00 0.00 0.00 0.00 2.21 2.46 0.00 5 L 9.00 4.97 0.00 1.57 1.49 0.92 0.85 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 6 T 8.39 4.84 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 1.21 0.00 0.00 7 V 8.70 4.37 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 1.10 0.00 0.00 0.93 0.00 0.00 8 P 0.00 4.33 0.00 2.10 2.13 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 9 T 7.85 4.24 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 1.25 0.00 0.00 10 I 7.59 3.58 1.91 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.51 0.83 0.00 0.00 11 A 8.24 4.57 1.30 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 0.00 0.00 0.00 12 C 7.30 4.67 0.00 3.10 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 13 E 8.45 3.90 0.00 2.08 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 2.36 2.42 0.00 14 A 7.99 4.03 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 15 C 8.25 4.00 0.00 2.97 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.79 3.84 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 17 E 8.60 3.81 0.00 2.12 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 2.30 2.36 0.00 18 A 8.16 3.99 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.82 3.47 2.04 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 0.95 0.00 0.00 0.53 0.00 0.00 20 T 8.00 3.82 4.37 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 0.00 0.00 0.00 1.24 0.00 0.00 21 K 8.52 3.96 0.00 1.73 1.87 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.72 1.60 7.81 22 A 8.26 3.99 1.41 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 0.00 0.00 23 V 7.78 3.63 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 1.11 0.00 0.00 0.96 0.00 0.00 24 Q 8.44 4.21 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 25 N 8.15 4.30 0.00 2.81 3.03 0.00 0.00 7.16 7.20 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 26 E 7.52 4.52 0.00 2.22 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 2.31 2.45 0.00 27 D 8.27 4.65 0.00 2.68 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 8.43 4.30 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 Q 8.06 4.32 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 30 A 7.95 4.54 1.30 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 0.00 0.00 0.00 31 T 8.78 4.68 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 32 V 8.26 4.82 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 0.77 0.00 0.00 0.92 0.00 0.00 33 Q 9.13 4.65 0.00 2.08 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.53 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 34 V 8.41 4.76 2.04 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 0.79 0.00 0.00 0.88 0.00 0.00 35 D 8.79 4.71 0.00 2.83 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 8.66 4.08 0.00 1.66 1.71 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.04 4.01 4.39 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 1.21 0.00 0.00 38 S 8.15 4.29 0.00 3.99 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 39 K 8.16 3.93 0.00 2.00 2.17 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.55 7.81 40 K 7.83 4.66 0.00 1.74 1.72 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.38 7.81 41 V 9.30 4.71 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 1.03 0.00 0.00 0.89 0.00 0.00 42 T 9.07 5.03 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 43 I 8.90 4.95 1.87 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 1.22 0.73 0.91 0.00 0.00 44 T 8.74 4.74 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 1.21 0.00 0.00 45 S 8.33 4.98 0.00 3.83 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 0.00 46 A 8.74 4.20 1.30 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 0.00 0.00 0.00 47 L 7.89 4.39 0.00 1.64 1.61 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 48 G 9.00 3.97 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 0.00 0.00 0.00 49 E 8.56 3.94 0.00 2.04 1.97 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 2.38 2.41 0.00 50 E 8.12 4.02 0.00 2.02 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 2.40 2.34 0.00 51 Q 8.04 4.02 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 52 L 8.12 3.98 0.00 1.83 1.71 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.36 3.93 0.00 2.00 2.00 0.00 3.26 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 54 T 8.13 3.88 4.38 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 1.22 0.00 0.00 55 A 7.98 4.02 1.36 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 0.00 0.00 56 I 8.02 3.85 1.90 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 1.46 1.24 1.00 0.00 0.00 57 A 8.07 4.54 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.10 4.07 0.00 4.09 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 59 A 7.80 4.44 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.31 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 61 Y 7.85 4.50 0.00 2.99 2.87 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 0.00 0.00 0.00 62 E 8.77 4.23 0.00 1.99 1.73 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 2.23 1.86 0.00 63 V 8.06 4.50 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 1.05 0.00 0.00 0.96 0.00 0.00 64 E 9.06 4.16 0.00 2.31 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 2.35 2.13 0.00