NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5562 8.3049 120.3267 54.4604 34.2163 175.9667 2 K 3.7313 8.7972 123.8792 57.8357 31.2121 177.1362 3 A 4.2932 9.4176 135.0000 53.8034 20.4229 180.2238 4 K 3.4105 8.0886 116.6832 59.3358 32.1753 177.4574 5 E 4.1296 7.6167 115.3773 57.9363 29.8474 176.9434 6 L 4.1944 8.5049 120.6564 54.7616 42.3905 178.6195 7 R 4.2303 8.6162 117.9803 57.7032 30.1911 176.9254 8 E 3.9823 8.4138 116.9159 57.9949 29.3560 174.9817 9 K 3.9852 7.1287 122.9439 56.0008 31.6700 176.9324 10 S 3.2932 7.2029 109.8988 58.3421 65.4709 176.1174 11 V 3.6773 7.8540 118.4555 65.9309 31.6351 177.6712 12 E 4.1500 7.9440 116.8175 58.0192 29.5414 178.1597 13 E 4.9081 8.7162 121.2218 57.7519 30.4550 177.7924 14 L 3.9321 7.9874 118.6346 58.2371 41.3891 179.3454 15 N 4.5119 7.6241 115.0702 56.6863 37.7515 176.4738 16 T 3.7559 8.3790 118.3287 66.0488 68.3244 175.5167 17 E 3.9415 8.2285 119.7086 59.8456 29.6355 178.9947 18 L 3.8968 7.5224 119.5985 58.3034 41.7959 179.0376 19 L 3.9876 7.9438 118.3797 58.2276 41.5735 178.6696 20 N 4.1197 8.2988 115.6348 57.1998 38.3953 176.6795 21 L 4.1302 8.3264 120.6482 57.5385 40.3486 176.2520 22 L 3.9166 7.7490 124.3434 55.5547 42.0690 175.5800 23 R 4.4503 8.5982 127.6874 57.2702 28.8999 178.1107 24 E 3.8472 7.7793 117.4157 59.5545 29.9457 179.0092 25 Q 4.3650 8.2190 117.9848 57.5487 29.8233 177.3663 26 F 4.1290 8.3684 121.8389 61.3803 39.4596 176.6031 27 N 4.0378 9.1399 117.1633 56.4889 38.4004 176.9773 28 L 4.2052 7.9226 119.3894 58.0361 41.4613 179.3050 29 R 3.8492 7.5228 117.5738 59.7940 30.0238 178.8575 30 M 3.8665 7.4671 117.7980 58.5428 31.7804 178.6270 31 Q 4.3587 8.7846 120.1402 58.3641 29.1364 178.2115 32 A 4.0546 7.9539 121.9189 55.0932 18.3541 179.4699 33 A 4.0452 7.6189 118.0539 54.4518 18.5360 178.2925 34 S 4.5693 8.0903 113.3703 58.0653 64.6217 176.3508 35 G 3.7092 7.8076 116.1260 46.1094 0.0000 178.4048 36 Q 2.8981 9.4002 123.7628 54.4288 29.0202 175.7116 37 L 3.4227 8.2633 115.9802 57.8109 39.4357 173.8275 38 Q 4.2926 7.9916 117.8077 56.0436 30.5049 176.7480 39 Q 4.5095 7.5746 120.5639 54.5060 27.8548 176.0951 40 S 4.1160 8.0382 118.7357 62.0564 63.5654 176.1317 41 H 4.1360 8.5237 119.0861 58.2375 27.4835 176.7472 42 L 3.7851 7.3452 120.3778 57.8064 40.3829 179.0317 43 L 4.0994 8.1615 119.0150 57.7172 40.3268 179.1468 44 K 3.7163 8.0340 118.8410 61.8117 32.2699 177.6131 45 Q 4.3316 8.6762 119.0866 56.8755 31.1577 173.7834 46 V 3.4846 8.8301 119.0967 65.4161 31.7845 175.6847 47 R 3.9563 7.6466 115.6260 59.3496 30.0207 179.6240 48 R 3.9270 7.4100 118.0540 59.2168 30.0541 178.4108 49 D 4.3088 8.0464 118.1803 57.6220 40.8049 178.7032 50 V 3.5508 8.4285 118.5195 66.9759 31.0092 177.0596 51 A 4.0301 7.9568 119.0873 54.8252 17.8172 179.4155 52 R 3.9996 8.2261 115.5468 58.5089 30.3421 179.1745 53 V 3.8887 7.8482 116.4064 66.3182 31.6117 178.0722 54 K 4.1370 8.5731 117.1790 59.3763 32.0597 179.4022 55 T 4.0202 8.9350 117.0936 66.5239 68.0328 175.1367 56 L 5.0340 8.7542 122.2311 54.4064 43.9475 177.5843 57 L 4.2385 8.4702 124.5654 56.5429 41.9283 174.6033 58 N 4.3705 9.0128 117.8092 54.4602 39.0651 175.7772 59 E 3.9086 7.1021 117.6944 59.4368 30.5037 180.2368 60 K 3.7034 7.6990 116.9456 59.2555 32.2111 177.2718 61 A 3.8576 7.9077 120.0078 52.1861 18.9707 176.2258 62 G 3.1916 7.8984 114.9202 43.6638 0.0000 173.0386 63 A 4.0959 7.1882 125.8277 53.0846 18.9502 176.6166 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 8.30 4.56 0.00 2.00 2.34 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 2 K 8.80 3.73 0.00 1.89 1.53 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.50 7.81 3 A 9.42 4.29 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 4 K 8.09 3.41 0.00 1.72 1.88 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 5 E 7.62 4.13 0.00 2.07 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 0.00 2.54 2.42 0.00 6 L 8.50 4.19 0.00 1.88 1.60 0.92 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.62 4.23 0.00 1.91 2.05 0.00 3.30 0.00 0.00 3.22 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.69 0.00 8 E 8.41 3.98 0.00 2.10 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 0.00 2.53 2.62 0.00 9 K 7.13 3.99 0.00 2.03 1.82 0.00 1.58 0.00 0.00 2.01 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.47 7.81 10 S 7.20 3.29 0.00 4.02 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 11 V 7.85 3.68 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.93 0.00 0.00 12 E 7.94 4.15 0.00 2.25 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 0.00 2.35 2.35 0.00 13 E 8.72 4.91 0.00 2.09 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 2.33 2.32 0.00 14 L 7.99 3.93 0.00 1.64 1.75 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 15 N 7.62 4.51 0.00 2.99 2.94 0.00 0.00 7.04 7.59 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 16 T 8.38 3.76 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 17 E 8.23 3.94 0.00 2.23 2.24 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 2.37 2.71 0.00 18 L 7.52 3.90 0.00 2.01 1.91 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.94 3.99 0.00 2.00 1.71 0.96 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.30 4.12 0.00 2.92 2.86 0.00 0.00 6.85 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.33 4.13 0.00 1.91 1.90 1.01 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.75 3.92 0.00 1.58 1.99 0.85 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.60 4.45 0.00 2.10 2.24 0.00 3.54 0.00 0.00 3.33 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 24 E 7.78 3.85 0.00 2.37 2.14 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 2.38 2.45 0.00 25 Q 8.22 4.36 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 26 F 8.37 4.13 0.00 3.11 3.15 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 0.00 27 N 9.14 4.04 0.00 2.92 2.88 0.00 0.00 7.12 6.62 0.00 0.00 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 L 7.92 4.21 0.00 1.84 1.69 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.52 3.85 0.00 1.73 1.88 0.00 3.30 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 30 M 7.47 3.87 0.00 1.82 1.96 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 31 Q 8.78 4.36 0.00 2.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.98 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 32 A 7.95 4.05 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 33 A 7.62 4.05 1.27 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 0.00 0.00 0.00 34 S 8.09 4.57 0.00 4.03 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 35 G 7.81 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 0.00 0.00 0.00 36 Q 9.40 2.90 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.68 6.07 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 37 L 8.26 3.42 0.00 1.76 1.62 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 7.99 4.29 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.26 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 39 Q 7.57 4.51 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.88 0.00 0.00 0.00 0.00 0.00 2.41 2.30 0.00 40 S 8.04 4.12 0.00 4.05 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 0.00 41 H 8.52 4.14 0.00 3.39 3.61 0.00 5.49 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 42 L 7.35 3.79 0.00 1.97 1.74 0.72 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.16 4.10 0.00 1.73 1.71 0.91 0.67 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 44 K 8.03 3.72 0.00 1.87 2.04 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.62 7.81 45 Q 8.68 4.33 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 5.94 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 46 V 8.83 3.48 2.13 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 0.96 0.00 0.00 1.00 0.00 0.00 47 R 7.65 3.96 0.00 1.86 1.98 0.00 3.18 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.04 0.00 48 R 7.41 3.93 0.00 2.01 1.97 0.00 3.32 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 1.65 1.67 0.00 49 D 8.05 4.31 0.00 2.90 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 50 V 8.43 3.55 2.28 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 1.01 0.00 0.00 0.97 0.00 0.00 51 A 7.96 4.03 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 52 R 8.23 4.00 0.00 2.06 2.04 0.00 3.28 0.00 0.00 3.19 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.54 0.00 53 V 7.85 3.89 2.23 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 0.91 0.00 0.00 1.00 0.00 0.00 54 K 8.57 4.14 0.00 1.91 1.86 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.66 7.81 55 T 8.94 4.02 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 1.21 0.00 0.00 56 L 8.75 5.03 0.00 1.74 1.63 0.94 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.47 4.24 0.00 1.75 2.01 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 58 N 9.01 4.37 0.00 2.98 2.89 0.00 0.00 6.92 7.53 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 59 E 7.10 3.91 0.00 2.36 2.23 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 2.30 2.50 0.00 60 K 7.70 3.70 0.00 1.93 1.94 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.66 7.81 61 A 7.91 3.86 1.27 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 0.00 0.00 0.00 62 G 7.90 3.19 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 0.00 63 A 7.19 4.10 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