NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3536 8.1133 119.7064 56.5177 32.4734 177.5352 2 M 3.8942 7.9291 117.2694 57.1986 31.8272 177.0864 3 K 4.1089 8.7222 120.9245 59.6934 33.0303 178.5737 4 Q 4.0611 8.0007 117.8376 58.7843 28.6603 178.6108 5 I 3.7229 7.9394 121.1106 64.3782 37.0329 178.2273 6 E 3.9785 8.3324 119.5002 59.6544 29.1256 179.2016 7 D 4.6709 7.9957 119.4824 56.1828 40.8609 178.7554 8 K 3.9867 7.9240 120.5265 59.3954 32.1535 178.9548 9 I 3.7482 7.9315 120.2142 64.4254 36.4491 178.2972 10 E 3.9879 8.0099 119.6199 59.2996 29.3238 179.1766 11 E 4.0841 7.8942 118.7411 59.1346 29.5103 179.3495 12 I 3.7884 7.8274 120.1666 64.3311 37.3146 178.2844 13 E 3.9965 8.4298 119.6740 59.2461 29.2672 179.3397 14 S 4.0949 8.1064 113.3207 61.4377 62.5106 176.4733 15 K 4.0421 8.0137 120.9947 59.3645 31.6965 179.2025 16 Q 4.0083 8.0380 120.0965 59.0014 28.9386 178.3409 17 K 4.0192 8.0241 119.3079 59.0108 32.0486 179.3139 18 K 3.9723 7.9577 119.7334 59.4092 32.1331 179.0490 19 I 3.9729 7.7216 121.4936 63.9485 37.0472 178.2419 20 E 3.9949 8.3419 119.4787 59.5728 29.2663 179.2635 21 N 4.3908 8.2050 116.5210 56.2540 38.4009 177.4226 22 E 4.0066 8.2393 120.1683 59.4011 29.4605 179.4601 23 I 3.8089 7.9637 119.7230 64.1843 37.0160 178.2737 24 A 3.9779 7.9705 121.7001 55.1944 18.3174 179.7208 25 R 3.8419 7.8577 116.7530 59.5505 30.1030 178.8277 26 I 3.7254 7.8468 119.6450 64.3432 37.1736 178.4861 27 K 3.9690 8.3846 119.6846 59.4944 31.9360 179.5914 28 K 4.0074 7.8853 118.8306 59.2783 32.0188 179.2752 29 L 3.9968 7.8807 120.4764 57.9489 42.1253 178.7617 30 L 4.0190 8.3744 120.8838 58.2039 41.8989 178.9430 31 Q 4.1501 8.1451 117.7400 58.4350 28.5631 178.5171 32 L 4.1031 7.7641 120.3650 57.8267 41.6461 179.4160 33 T 3.9679 8.0825 109.9390 64.7469 68.5695 176.8661 34 V 3.5919 7.8297 120.7649 65.4763 31.6701 177.8780 35 W 4.1338 8.2329 128.4920 60.3093 30.6682 178.2261 36 G 3.7144 8.5700 105.8739 48.0585 0.0000 175.8028 37 I 3.7553 8.0288 122.5386 63.7184 37.0162 178.5171 38 K 3.8319 7.7080 120.7116 59.5170 32.0258 179.0062 39 Q 3.7260 7.4640 117.8940 58.5975 28.5240 178.5845 40 L 3.9129 7.6505 119.8817 57.6938 41.7337 179.3216 41 Q 3.8714 8.1997 119.3836 59.1735 28.8099 178.1096 42 A 3.9616 7.6505 120.6121 55.0611 18.4013 179.3163 43 R 3.9708 7.6861 116.8059 59.3164 30.3174 178.3133 44 I 3.9521 7.6378 111.1990 62.4992 37.9508 175.8378 45 L 4.2337 7.6059 125.0975 54.8310 41.6485 176.1116 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 R 8.11 4.35 0.00 1.89 2.04 0.00 3.10 0.00 0.00 3.33 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 2 M 7.93 3.89 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.65 0.00 3 K 8.72 4.11 0.00 1.78 1.79 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.47 7.81 4 Q 8.00 4.06 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 5 I 7.94 3.72 2.03 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 1.52 0.83 0.91 0.00 0.00 6 E 8.33 3.98 0.00 2.18 2.00 0.00 0.00 0.00 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 2.47 0.00 7 D 8.00 4.67 0.00 2.74 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 8 K 7.92 3.99 0.00 2.07 1.96 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.52 7.81 9 I 7.93 3.75 2.03 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 1.52 0.51 0.91 0.00 0.00 10 E 8.01 3.99 0.00 2.14 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 2.33 2.48 0.00 11 E 7.89 4.08 0.00 2.16 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 2.32 2.51 0.00 12 I 7.83 3.79 2.01 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 1.52 0.76 0.91 0.00 0.00 13 E 8.43 4.00 0.00 2.24 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 2.33 2.31 0.00 14 S 8.11 4.09 0.00 3.97 4.05 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.01 4.04 0.00 2.09 1.84 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.59 7.81 16 Q 8.04 4.01 0.00 2.33 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 17 K 8.02 4.02 0.00 2.01 1.84 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.64 1.58 7.81 18 K 7.96 3.97 0.00 1.83 1.98 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.47 7.81 19 I 7.72 3.97 2.02 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 1.53 1.27 0.91 0.00 0.00 20 E 8.34 3.99 0.00 2.18 2.00 0.00 0.00 0.00 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 2.50 0.00 21 N 8.21 4.39 0.00 2.92 2.86 0.00 0.00 7.04 7.73 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 22 E 8.24 4.01 0.00 2.22 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 2.33 2.56 0.00 23 I 7.96 3.81 2.00 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 0.86 0.91 0.00 0.00 24 A 7.97 3.98 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 25 R 7.86 3.84 0.00 1.88 2.12 0.00 3.10 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 26 I 7.85 3.73 2.00 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 1.52 0.66 0.92 0.00 0.00 27 K 8.38 3.97 0.00 2.01 1.87 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.62 7.81 28 K 7.89 4.01 0.00 1.73 1.83 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.68 7.81 29 L 7.88 4.00 0.00 1.79 1.81 0.93 0.40 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 30 L 8.37 4.02 0.00 1.90 1.88 0.94 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.15 4.15 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.60 0.00 0.00 0.00 0.00 0.00 2.63 2.55 0.00 32 L 7.76 4.10 0.00 1.95 1.74 0.88 0.38 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 33 T 8.08 3.97 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 1.31 0.00 0.00 34 V 7.83 3.59 2.29 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 1.02 0.00 0.00 1.06 0.00 0.00 35 W 8.23 4.13 0.00 3.48 3.38 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 36 G 8.57 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 37 I 8.03 3.76 1.86 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 1.41 0.66 0.89 0.00 0.00 38 K 7.71 3.83 0.00 1.82 1.66 0.00 1.57 0.00 0.00 1.48 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.39 7.81 39 Q 7.46 3.73 0.00 1.76 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 1.18 1.16 0.00 40 L 7.65 3.91 0.00 1.82 1.67 0.91 0.59 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 41 Q 8.20 3.87 0.00 2.18 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 2.32 2.34 0.00 42 A 7.65 3.96 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 43 R 7.69 3.97 0.00 1.88 2.08 0.00 3.23 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 44 I 7.64 3.95 1.85 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 1.73 0.69 0.96 0.00 0.00 45 L 7.61 4.23 0.00 1.73 1.59 0.90 0.77 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