NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.0493 8.0501 120.3108 61.4872 32.7531 174.2567 3 A 4.6271 8.0742 123.0118 48.4437 21.9309 174.9406 4 T 4.1883 8.9221 111.8566 61.3529 70.5897 174.2245 5 R 4.1261 8.5078 121.1847 57.8784 30.1517 176.9454 6 D 4.8628 7.8962 116.5021 53.1462 39.8910 176.2666 7 N 5.0458 8.2501 119.2065 53.6946 39.1862 174.1291 8 C 4.8713 8.3417 108.1688 57.6147 30.6782 173.3468 9 C 4.6860 8.2119 119.0736 59.0429 31.2125 174.9506 10 I 4.6146 7.6367 120.1340 60.6174 36.3872 176.3396 11 L 4.2180 7.6915 124.7900 54.3989 42.5852 176.6473 12 D 4.5874 7.6177 119.5204 52.6922 43.4565 175.3912 13 E 4.0848 9.0337 125.6087 58.9384 29.6168 177.9898 14 R 4.2101 8.4667 117.0527 56.6940 30.6080 176.7874 15 F 4.6077 8.4619 114.8529 56.4941 40.5859 177.0616 16 G 3.8745 8.1371 109.0523 44.6342 0.0000 171.6626 17 S 4.8120 8.5081 114.1765 58.0100 63.3238 174.8521 18 Y 4.7704 8.8783 124.7691 57.6305 39.2270 174.5510 19 C 5.0315 8.3109 117.8563 57.3488 32.6956 172.1539 20 P 4.4367 0.0000 0.0000 62.7991 31.8522 176.5243 21 T 4.3678 8.0359 110.1304 60.9921 71.4898 175.5506 22 T 4.1163 8.2072 110.9681 64.0297 68.8971 176.4170 23 C 4.2924 8.0631 120.3817 62.7377 28.2209 175.8159 24 G 3.6318 8.0578 107.1453 47.7234 0.0000 175.8087 25 I 3.7125 7.8511 122.0925 64.2027 37.1165 178.4194 26 A 4.0506 8.4161 121.9246 55.3319 18.2866 179.4762 27 D 4.3195 8.6308 117.9164 57.2738 40.8087 178.7792 28 F 3.9890 8.5242 121.3885 61.1803 39.4691 176.9090 29 L 4.1825 8.5104 120.3810 58.2344 41.8857 178.4377 30 N 4.3019 8.4699 117.1532 56.6994 38.9213 176.4210 31 N 4.2370 8.0205 118.2193 56.7047 39.0045 176.2548 32 Y 3.9919 7.9670 121.0964 60.7934 38.8288 177.8036 33 Q 3.6140 8.6125 120.8403 59.3319 29.1270 178.3156 34 T 3.8015 7.8929 116.8750 66.4198 68.5961 176.7381 35 S 3.9539 8.0342 115.0271 61.4672 62.4224 176.4150 36 V 3.4826 7.6444 121.0154 65.9017 31.1279 177.3602 37 D 4.2234 8.1947 118.0961 57.2046 41.1374 178.2312 38 K 3.9251 7.9773 120.1320 59.5456 32.3230 178.6297 39 D 4.3503 7.9716 118.8583 57.2723 40.7084 178.7411 40 L 3.9733 8.1826 119.8665 57.6707 41.3864 179.3396 41 R 4.0177 8.0597 118.0085 59.8526 30.2848 178.3655 42 T 4.0073 7.7682 114.9136 66.7257 68.3634 176.6786 43 L 4.0248 7.7764 120.4286 57.8318 41.4422 179.2720 44 E 4.2269 8.6065 117.5084 58.1999 29.5258 178.4946 45 G 3.8843 7.5365 103.7578 44.2218 0.0000 173.8123 46 I 4.0446 6.9994 122.7873 60.8019 37.9204 176.0291 47 L 4.2495 8.4381 123.9298 54.9501 41.6486 176.4679 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 V 8.05 4.05 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 0.93 0.00 0.00 3 A 8.07 4.63 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 T 8.92 4.19 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 5 R 8.51 4.13 0.00 1.82 2.02 0.00 3.18 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 6 D 7.90 4.86 0.00 2.78 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 7 N 8.25 5.05 0.00 2.63 2.76 0.00 0.00 6.88 7.80 0.00 0.00 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 C 8.34 4.87 0.00 3.07 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.21 4.69 0.00 2.92 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 10 I 7.64 4.61 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 1.47 1.63 1.01 0.00 0.00 11 L 7.69 4.22 0.00 0.27 1.19 0.62 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 12 D 7.62 4.59 0.00 2.81 2.85 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 13 E 9.03 4.08 0.00 2.12 2.10 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 2.31 2.36 0.00 14 R 8.47 4.21 0.00 1.80 1.73 0.00 3.04 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 15 F 8.46 4.61 0.00 3.18 3.09 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 0.00 0.00 0.00 16 G 8.14 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.51 4.81 0.00 4.10 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.88 4.77 0.00 2.82 2.84 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 19 C 8.31 5.03 0.00 2.78 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.44 0.00 2.15 2.04 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.90 0.00 21 T 8.04 4.37 4.22 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 1.18 0.00 0.00 22 T 8.21 4.12 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 1.21 0.00 0.00 23 C 8.06 4.29 0.00 3.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.06 3.63 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 0.00 0.00 0.00 25 I 7.85 3.71 2.03 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.95 0.93 0.00 0.00 26 A 8.42 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 27 D 8.63 4.32 0.00 2.79 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.52 3.99 0.00 3.26 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 29 L 8.51 4.18 0.00 2.01 1.96 1.14 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.47 4.30 0.00 2.88 2.96 0.00 0.00 6.86 6.82 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 31 N 8.02 4.24 0.00 2.83 2.72 0.00 0.00 6.89 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 32 Y 7.97 3.99 0.00 2.61 3.05 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 33 Q 8.61 3.61 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.59 0.00 0.00 0.00 0.00 0.00 2.27 2.53 0.00 34 T 7.89 3.80 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 1.17 0.00 0.00 35 S 8.03 3.95 0.00 3.88 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.64 3.48 1.72 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 0.87 0.00 0.00 0.66 0.00 0.00 37 D 8.19 4.22 0.00 2.86 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.98 3.93 0.00 1.85 1.92 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.45 7.81 39 D 7.97 4.35 0.00 2.88 2.67 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 0.00 0.00 0.00 0.00 40 L 8.18 3.97 0.00 1.77 1.69 0.87 0.98 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 41 R 8.06 4.02 0.00 1.83 2.12 0.00 3.25 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 42 T 7.77 4.01 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 1.20 0.00 0.00 43 L 7.78 4.02 0.00 1.86 1.71 0.91 0.71 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 44 E 8.61 4.23 0.00 2.01 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 2.44 0.00 45 G 7.54 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.00 4.04 1.99 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 1.29 0.76 0.91 0.00 0.00 47 L 8.44 4.25 0.00 1.62 1.56 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00