NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8250 8.1976 109.7370 44.0526 0.0000 174.1870 4 I 3.1254 9.0030 112.2734 61.2151 38.3445 173.7644 5 R 5.3008 8.3675 122.1136 54.1319 30.3019 177.0076 6 E 4.1537 7.7176 119.0432 56.6520 31.4134 178.9047 7 K 4.4747 8.5329 121.6786 56.7785 33.6698 175.8100 8 I 4.3035 8.2601 117.4617 60.3411 41.8618 172.7265 9 K 5.1610 8.9104 127.8116 55.2430 35.0522 175.4712 10 L 5.6219 9.2131 124.3701 52.7121 42.9803 176.2766 11 V 4.3845 8.4604 124.4597 62.6089 33.2387 174.5977 12 S 4.3158 8.2639 119.5932 57.2422 62.4817 174.5248 13 S 4.3008 8.6116 122.2167 61.1120 62.9858 175.1249 14 A 4.1187 7.8887 123.1533 51.4376 18.7379 178.2547 15 G 3.5025 8.7211 109.4671 48.7998 0.0000 174.3748 16 T 3.9212 7.0968 112.9042 62.4788 67.6341 173.7539 17 G 3.9087 8.4294 112.8578 45.8009 0.0000 173.6065 18 H 4.4909 7.9472 121.2299 57.2379 31.0314 173.6448 19 F 5.2511 7.6935 116.2766 56.7273 40.6903 171.9920 20 Y 4.3830 9.1119 116.8629 56.3078 41.5221 174.8746 21 T 5.0753 8.1703 114.1607 61.1313 70.6698 172.4769 22 T 4.6488 9.1439 122.4107 61.9166 71.5931 171.6295 23 T 5.0945 8.3640 112.7303 60.1068 71.5142 173.2864 24 K 4.5635 8.7641 122.4340 54.6944 36.6218 175.0701 25 N 5.3282 8.1031 120.0965 51.3804 38.1350 174.6757 26 K 3.9598 7.9992 123.1233 59.7296 32.9047 178.1140 27 R 4.0047 7.2869 116.4368 58.9844 30.0157 177.1034 28 T 4.6174 8.5250 103.7361 60.7209 70.7735 173.8433 29 K 5.4909 7.4233 119.9263 54.2103 32.2724 175.8929 30 P 4.4683 0.0000 0.0000 62.8537 31.3234 176.4732 31 E 4.4464 8.3878 118.8533 54.0993 30.2140 175.0491 32 K 4.2524 8.7765 123.6202 56.9221 32.5519 176.4648 33 L 4.4335 8.6623 128.6217 54.8278 42.7563 175.9017 34 E 5.6344 8.8323 122.3500 54.4076 32.3080 175.0004 35 L 4.4418 8.7742 117.3220 54.7641 44.9673 171.6262 36 K 4.8276 8.4146 126.8299 55.8817 32.3715 174.5837 37 K 4.4145 8.7397 124.6660 55.4739 34.8083 174.0649 38 F 5.0887 8.8483 123.0812 57.6930 40.9029 176.2169 39 D 4.7752 7.2536 126.9634 50.4603 40.5005 174.2001 40 P 3.9970 0.0000 0.0000 65.2286 31.7830 178.3859 41 V 3.6263 7.6705 116.6218 65.6310 31.5044 176.8560 42 V 3.8817 8.1280 116.8779 62.4039 31.7382 175.5003 43 R 3.8781 7.8783 117.2632 57.0152 27.9621 175.9755 44 Q 4.8951 7.4408 113.8914 54.7590 33.6570 174.0818 45 H 4.9521 9.3781 121.6160 56.5744 29.5459 174.8779 46 V 4.5617 8.4858 122.6552 60.0818 35.4881 174.2656 47 I 4.4695 8.1029 120.1293 61.3609 38.8089 174.8729 48 Y 5.0361 8.6457 122.5533 56.4262 41.3411 174.3672 49 K 5.1173 8.6591 127.1230 56.0058 36.0833 171.8613 50 E 3.7927 9.1602 125.3977 57.0726 27.8036 174.4357 51 A 4.3087 8.4596 123.0108 53.0603 20.4853 176.3254 52 K 4.8757 7.9476 120.1195 56.2215 31.8410 174.9686 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 G 8.20 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 0.00 0.00 0.00 4 I 9.00 3.13 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 0.65 0.91 0.00 0.00 5 R 8.37 5.30 0.00 1.79 1.92 0.00 3.31 0.00 0.00 3.08 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 6 E 7.72 4.15 0.00 1.97 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 2.41 2.43 0.00 7 K 8.53 4.47 0.00 1.66 1.81 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.40 7.81 8 I 8.26 4.30 1.90 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 1.31 1.57 1.00 0.00 0.00 9 K 8.91 5.16 0.00 2.11 1.92 0.00 1.63 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.29 7.81 10 L 9.21 5.62 0.00 1.73 1.82 1.02 0.91 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 11 V 8.46 4.38 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.97 0.00 0.00 12 S 8.26 4.32 0.00 4.03 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 13 S 8.61 4.30 0.00 3.83 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 14 A 7.89 4.12 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.72 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.10 3.92 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 1.32 0.00 0.00 17 G 8.43 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 18 H 7.95 4.49 0.00 3.27 3.43 0.00 5.63 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.69 5.25 0.00 3.24 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 20 Y 9.11 4.38 0.00 2.57 2.71 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 21 T 8.17 5.08 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 1.14 0.00 0.00 22 T 9.14 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 1.22 0.00 0.00 23 T 8.36 5.09 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 24 K 8.76 4.56 0.00 1.83 1.64 0.00 1.61 0.00 0.00 1.64 0.00 0.00 3.14 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.34 1.39 7.81 25 N 8.10 5.33 0.00 2.73 2.66 0.00 0.00 6.46 6.75 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 26 K 8.00 3.96 0.00 1.87 1.84 0.00 1.73 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.57 7.81 27 R 7.29 4.00 0.00 2.17 2.02 0.00 3.32 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 28 T 8.53 4.62 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 29 K 7.42 5.49 0.00 1.78 1.74 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.45 1.47 7.81 30 P 0.00 4.47 0.00 2.04 2.07 0.00 3.65 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.31 0.00 31 E 8.39 4.45 0.00 2.08 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 0.00 2.21 2.40 0.00 32 K 8.78 4.25 0.00 1.65 1.87 0.00 1.64 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.55 7.81 33 L 8.66 4.43 0.00 1.64 1.72 0.93 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.83 5.63 0.00 1.98 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 2.31 2.15 0.00 35 L 8.77 4.44 0.00 1.72 1.76 0.84 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.41 4.83 0.00 2.00 2.08 0.00 1.76 0.00 0.00 2.39 0.00 0.00 2.80 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.45 7.81 37 K 8.74 4.41 0.00 1.27 1.17 0.00 1.00 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.13 1.19 7.81 38 F 8.85 5.09 0.00 2.84 3.10 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 0.00 0.00 0.00 0.00 39 D 7.25 4.78 0.00 2.63 2.32 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 40 P 0.00 4.00 0.00 1.95 2.11 0.00 2.97 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.10 0.00 41 V 7.67 3.63 2.26 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 0.74 0.00 0.00 0.94 0.00 0.00 42 V 8.13 3.88 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 0.80 0.00 0.00 0.93 0.00 0.00 43 R 7.88 3.88 0.00 1.99 2.14 0.00 3.54 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.75 0.00 44 Q 7.44 4.90 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.47 7.08 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 45 H 9.38 4.95 0.00 3.10 3.39 0.00 5.84 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.49 4.56 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.85 0.00 0.00 47 I 8.10 4.47 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.57 0.92 0.00 0.00 48 Y 8.65 5.04 0.00 2.89 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 49 K 8.66 5.12 0.00 1.89 1.71 0.00 1.69 0.00 0.00 1.61 0.00 0.00 3.24 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.42 7.81 50 E 9.16 3.79 0.00 2.15 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 2.21 2.55 0.00 51 A 8.46 4.31 1.33 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 0.00 0.00 0.00 52 K 7.95 4.88 0.00 1.85 2.08 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.46 7.81