NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3369 8.1576 119.9984 57.0821 32.6669 175.2918 4 E 4.2175 8.3510 126.5730 56.9290 29.8702 175.7190 5 T 4.3093 7.6449 117.3999 63.2472 70.3936 177.2921 6 G 3.8402 8.5289 112.9935 44.9091 0.0000 174.0504 7 Y 4.3142 8.6880 120.7996 60.9123 37.7981 178.7629 8 Y 4.2192 7.7360 117.2517 61.2886 38.1617 177.9676 9 D 4.4885 8.4029 119.2784 57.6176 40.7427 178.8541 10 V 3.6796 7.9428 117.5643 65.9688 31.6010 177.3168 11 L 4.4611 7.8376 115.2178 54.1513 41.9236 176.8977 12 G 3.9588 8.1333 106.9519 46.8707 0.0000 173.9842 13 V 4.5827 7.7436 111.1201 58.6585 35.0280 176.1585 14 K 4.2232 8.2221 120.5831 55.4598 32.6182 176.8242 15 P 2.9700 0.0000 0.0000 64.5659 31.2628 176.8782 16 D 4.6165 7.7151 116.0286 52.8047 39.5139 176.1939 17 A 4.2304 7.5047 123.3038 53.0016 18.8356 179.1508 18 S 4.5366 8.9660 118.0467 57.3039 65.6250 175.1083 19 D 4.3541 8.5930 120.3173 57.7026 40.8141 177.7330 20 N 4.3620 8.2231 116.2342 56.6646 38.6307 177.0939 21 E 4.0668 8.3372 119.7311 59.2780 29.4311 179.4154 22 L 4.1781 8.3046 119.2663 57.7766 41.7218 179.7008 23 K 4.0236 8.4116 118.4575 59.3648 31.9499 179.3298 24 K 3.9375 8.2757 119.6189 59.4804 32.0649 178.6956 25 A 4.0274 8.2204 121.0781 55.2337 18.3229 179.0043 26 Y 4.0113 8.2854 118.1553 60.9321 38.8715 178.3516 27 R 3.6868 7.9881 118.9351 59.1466 30.1665 179.1779 28 K 3.9464 8.2947 118.4128 59.6874 32.0003 179.3260 29 M 4.2107 8.3672 118.8244 58.5524 31.7561 178.4508 30 A 4.0515 8.1781 120.0693 55.3148 18.6425 179.2852 31 L 4.0446 7.9518 118.0090 58.6427 40.5397 179.5027 32 K 3.6772 7.9681 118.6137 58.9911 31.9154 178.0676 33 F 4.4276 8.1549 116.2423 56.4604 39.2851 174.8540 34 H 3.8088 8.3276 120.2509 56.2877 29.9903 174.1043 35 P 4.5257 0.0000 0.0000 64.3432 31.3315 176.8571 36 D 4.7125 8.0294 116.6995 54.4653 42.2587 176.9110 37 K 4.2663 7.8784 116.8705 57.7531 32.9473 176.4770 38 N 4.8920 8.1290 117.2940 49.7765 38.8492 172.7755 39 P 4.4018 0.0000 0.0000 64.8094 31.5875 178.1064 40 D 4.8734 8.0207 116.3704 54.3096 41.2043 177.2201 41 G 4.3639 7.9311 104.0460 44.9235 0.0000 175.6950 42 A 4.0804 8.0224 124.0439 55.2346 18.5417 180.0829 43 E 3.9013 8.2424 116.2326 59.7740 29.6036 179.3819 44 Q 3.8947 8.0359 118.8667 59.1643 29.1048 177.9070 45 F 3.9270 8.2689 121.7527 60.4308 39.2445 177.3210 46 K 3.8806 7.9605 119.1222 59.9228 32.2993 178.9720 47 Q 3.8957 7.8727 120.3382 58.9066 28.9446 178.3593 48 I 3.6018 7.5163 120.8731 64.3136 37.0242 178.6122 49 S 3.8679 7.7949 116.3665 61.4912 62.6059 176.5773 50 Q 3.6745 8.2310 122.4155 58.8465 28.6783 177.9523 51 A 2.5902 7.7391 121.9674 54.9044 18.3251 179.0401 52 Y 3.6311 7.6133 117.9251 60.5414 38.5792 177.5635 53 E 3.5668 7.6969 119.2134 59.1185 29.9226 178.7343 54 V 3.4788 7.2713 117.9895 66.1236 31.4056 178.1539 55 L 3.8565 7.3816 117.6582 57.1206 41.5103 178.9705 56 S 4.1236 7.3855 112.5553 58.2344 63.5196 173.3685 57 D 4.5947 7.0876 123.5270 52.5970 42.0768 176.3740 58 E 3.9706 8.7983 127.4064 59.3482 29.7088 178.9279 59 K 3.9812 8.0048 117.9949 59.4828 32.1874 179.4454 60 K 4.0407 8.7221 119.2174 59.3134 31.8594 179.5117 61 R 3.9242 8.4964 119.6101 59.3752 29.9017 178.5039 62 Q 4.0698 8.3286 118.0548 59.0046 28.6144 178.9626 63 I 3.7025 7.7703 120.6381 64.4814 36.9594 177.6876 64 Y 4.0214 8.0842 119.2262 61.0547 38.9208 177.7954 65 D 4.5497 8.7226 120.1067 57.2778 40.6809 178.5027 66 Q 4.0427 8.3088 119.8176 59.1271 29.2025 178.3266 67 G 3.8134 8.2233 105.7681 46.7620 0.0000 173.9964 68 G 3.7864 7.7209 111.9795 44.7764 0.0000 173.1428 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 3 K 8.16 4.34 0.00 1.94 2.08 0.00 1.52 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.42 7.81 4 E 8.35 4.22 0.00 2.17 2.07 0.00 0.00 0.00 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 2.40 0.00 5 T 7.64 4.31 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 1.27 0.00 0.00 6 G 8.53 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 7 Y 8.69 4.31 0.00 2.10 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.74 4.22 0.00 3.14 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 9 D 8.40 4.49 0.00 2.95 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 10 V 7.94 3.68 2.33 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 0.89 0.00 0.00 1.05 0.00 0.00 11 L 7.84 4.46 0.00 1.91 1.81 1.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.13 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 13 V 7.74 4.58 2.18 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 0.90 0.00 0.00 1.25 0.00 0.00 14 K 8.22 4.22 0.00 1.88 1.67 0.00 1.68 0.00 0.00 1.81 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.46 7.81 15 P 0.00 2.97 0.00 1.76 1.65 0.00 3.51 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.86 0.00 16 D 7.72 4.62 0.00 2.74 2.68 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 17 A 7.50 4.23 1.38 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 0.00 0.00 18 S 8.97 4.54 0.00 4.10 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 0.00 19 D 8.59 4.35 0.00 2.83 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 20 N 8.22 4.36 0.00 2.80 2.90 0.00 0.00 7.10 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 21 E 8.34 4.07 0.00 2.30 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 2.36 2.38 0.00 22 L 8.30 4.18 0.00 2.02 1.99 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.41 4.02 0.00 2.04 1.92 0.00 1.74 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.64 1.79 7.81 24 K 8.28 3.94 0.00 1.95 1.99 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.48 7.81 25 A 8.22 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 8.29 4.01 0.00 2.84 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 27 R 7.99 3.69 0.00 2.01 1.91 0.00 3.17 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.84 0.00 28 K 8.29 3.95 0.00 1.95 1.88 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.61 7.81 29 M 8.37 4.21 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 3.00 0.00 30 A 8.18 4.05 1.19 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 0.00 0.00 0.00 31 L 7.95 4.04 0.00 1.90 1.86 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.97 3.68 0.00 2.04 1.64 0.00 1.73 0.00 0.00 1.81 0.00 0.00 3.14 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.57 7.81 33 F 8.15 4.43 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 34 H 8.33 3.81 0.00 3.23 3.09 0.00 5.62 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 P 0.00 4.53 0.00 2.21 2.07 0.00 3.49 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 36 D 8.03 4.71 0.00 2.63 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 37 K 7.88 4.27 0.00 1.70 1.71 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.66 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.39 7.81 38 N 8.13 4.89 0.00 2.37 2.60 0.00 0.00 6.78 7.67 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 39 P 0.00 4.40 0.00 2.18 2.19 0.00 3.32 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 40 D 8.02 4.87 0.00 2.70 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 41 G 7.93 4.36 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 0.00 42 A 8.02 4.08 1.37 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 0.00 0.00 0.00 43 E 8.24 3.90 0.00 2.02 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 0.00 2.42 2.35 0.00 44 Q 8.04 3.89 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.91 0.00 0.00 0.00 0.00 0.00 2.49 1.77 0.00 45 F 8.27 3.93 0.00 2.86 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 46 K 7.96 3.88 0.00 2.01 2.05 0.00 1.36 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.40 7.81 47 Q 7.87 3.90 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 48 I 7.52 3.60 1.47 0.00 0.00 0.61 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 0.39 0.76 0.00 0.00 49 S 7.79 3.87 0.00 3.84 3.75 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 50 Q 8.23 3.67 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.22 0.00 51 A 7.74 2.59 1.22 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 0.00 0.00 0.00 52 Y 7.61 3.63 0.00 2.83 2.39 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 53 E 7.70 3.57 0.00 1.81 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 2.14 2.17 0.00 54 V 7.27 3.48 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 0.84 0.00 0.00 0.66 0.00 0.00 55 L 7.38 3.86 0.00 1.39 1.55 0.46 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.39 4.12 0.00 3.46 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 57 D 7.09 4.59 0.00 2.61 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 58 E 8.80 3.97 0.00 2.05 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 0.00 2.38 2.41 0.00 59 K 8.00 3.98 0.00 1.96 1.83 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.52 7.81 60 K 8.72 4.04 0.00 1.85 1.82 0.00 1.56 0.00 0.00 1.49 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.54 7.81 61 R 8.50 3.92 0.00 1.97 1.95 0.00 3.37 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.73 0.00 62 Q 8.33 4.07 0.00 2.38 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 63 I 7.77 3.70 2.06 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 1.42 0.87 0.94 0.00 0.00 64 Y 8.08 4.02 0.00 3.04 3.23 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 0.00 65 D 8.72 4.55 0.00 2.80 2.78 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 0.00 0.00 0.00 0.00 66 Q 8.31 4.04 0.00 2.15 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 67 G 8.22 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 G 7.72 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 0.00 0.00 0.00