NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2518 8.1727 120.1341 56.5794 34.2895 177.0721 3 V 3.2931 7.7865 115.8377 62.8998 31.4644 178.1865 4 R 3.1351 7.9983 116.0030 57.7981 32.9070 174.5970 5 S 4.8074 12.0000 114.2062 58.2253 64.3981 174.3524 6 S 4.3030 9.1351 120.2609 58.5179 59.2049 167.5695 7 V 4.4202 8.1697 123.6567 62.0240 33.6834 176.4101 8 K 4.3179 8.5650 123.7350 56.7321 34.0202 172.7122 9 K 3.6712 8.3932 117.2559 57.3705 30.4536 175.0518 10 M 4.5981 8.6584 128.7779 56.0065 30.8330 177.0567 11 C 3.8451 7.9502 121.7833 52.8877 44.9867 174.6070 12 D 4.7437 8.4650 117.4335 55.0399 39.6848 176.5810 13 N 4.5888 8.5026 116.1622 55.4752 41.9308 175.6874 14 C 3.8594 7.0625 115.0210 54.3159 31.9021 174.0366 15 K 4.3392 12.0000 124.4266 55.6452 34.1072 176.3594 16 V 4.1604 8.2564 121.0873 61.6287 32.3198 174.5811 17 V 4.4714 8.2020 127.3046 60.9714 34.9798 174.8080 18 R 5.1875 8.8116 122.8619 53.6357 31.2969 175.5505 19 R 4.4574 8.2932 119.8828 55.3773 30.6276 175.4627 20 H 3.8470 9.0769 121.6078 56.9783 25.3880 178.0435 21 G 4.5204 8.3433 107.9209 47.0633 0.0000 174.7495 22 R 3.9090 8.7149 118.3271 56.5871 30.6907 175.6671 23 V 5.1804 8.1244 118.8876 60.2115 33.1341 174.8778 24 L 4.7379 8.2856 126.7712 52.5474 44.4755 176.7340 25 V 3.9042 8.1037 124.1119 64.0134 32.0770 175.4530 26 I 4.7350 8.2081 125.5416 59.7291 41.6982 174.0005 27 C 4.9751 8.5305 124.5231 58.8194 33.9037 174.1680 28 S 4.4808 8.6239 122.0590 57.4290 62.1035 174.6172 29 N 4.8979 10.9700 117.3413 53.0809 42.4865 176.3248 30 V 3.6600 8.6917 123.2654 65.5009 31.9412 176.0335 31 K 4.9268 7.6294 118.9975 55.8957 31.9830 176.4116 32 H 4.8281 8.3381 113.1190 56.9918 36.4484 174.4097 33 K 4.3014 7.2890 121.7989 55.4922 31.7478 176.6030 34 Q 4.1576 10.7000 121.5943 56.4232 30.2330 175.6920 35 R 4.9221 8.3402 124.8037 55.4014 33.5806 174.4091 36 Q 5.0101 8.2635 120.7404 55.2179 29.4904 175.1977 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 K 8.17 4.25 0.00 1.88 1.88 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.49 7.81 3 V 7.79 3.29 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 1.00 0.00 0.00 0.93 0.00 0.00 4 R 8.00 3.14 0.00 2.00 1.89 0.00 3.11 0.00 0.00 3.22 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 5 S 12.00 4.81 0.00 4.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 9.14 4.30 0.00 4.08 4.34 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 7 V 8.17 4.42 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 0.89 0.00 0.00 1.03 0.00 0.00 8 K 8.57 4.32 0.00 1.72 1.69 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.50 7.81 9 K 8.39 3.67 0.00 1.84 1.82 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.54 1.43 7.81 10 M 8.66 4.60 0.00 2.26 1.74 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 11 C 7.95 3.85 0.00 3.10 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.46 4.74 0.00 2.68 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.50 4.59 0.00 2.56 2.73 0.00 0.00 6.98 7.27 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 14 C 7.06 3.86 0.00 2.96 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 15 K 12.00 4.34 0.00 1.77 1.73 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.37 7.81 16 V 8.26 4.16 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 0.77 0.00 0.00 0.93 0.00 0.00 17 V 8.20 4.47 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 0.96 0.00 0.00 0.93 0.00 0.00 18 R 8.81 5.19 0.00 1.79 1.84 0.00 3.25 0.00 0.00 3.93 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 19 R 8.29 4.46 0.00 1.96 1.95 0.00 3.13 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 20 H 9.08 3.85 0.00 3.43 3.48 0.00 5.97 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.34 4.52 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 0.00 0.00 0.00 22 R 8.71 3.91 0.00 2.27 1.90 0.00 3.06 0.00 0.00 3.06 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 23 V 8.12 5.18 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 1.00 0.00 0.00 24 L 8.29 4.74 0.00 1.51 1.68 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.10 3.90 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 0.76 0.00 0.00 0.60 0.00 0.00 26 I 8.21 4.74 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 1.12 0.92 0.91 0.00 0.00 27 C 8.53 4.98 0.00 2.92 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 28 S 8.62 4.48 0.00 4.02 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 29 N 10.97 4.90 0.00 3.12 2.86 0.00 0.00 6.69 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.69 3.66 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 0.99 0.00 0.00 0.93 0.00 0.00 31 K 7.63 4.93 0.00 1.62 1.65 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.35 7.81 32 H 8.34 4.83 0.00 3.40 3.25 0.00 5.85 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.29 4.30 0.00 1.64 1.80 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.75 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.59 7.81 34 Q 10.70 4.16 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.64 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 35 R 8.34 4.92 0.00 1.81 1.80 0.00 3.22 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 36 Q 8.26 5.01 0.00 1.76 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.42 0.00 0.00 0.00 0.00 0.00 2.27 2.02 0.00