#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1krw s GLN 2 N 0.00 1.80 -0.05 3.17 -0.21 -1.26 -5.06 119.66 118.05 1krw s GLN 2 Ca 0.00 -0.83 -0.07 0.00 0.02 0.00 0.00 55.36 54.49 1krw s GLN 2 Cb 0.00 -1.76 -0.04 0.00 1.00 0.00 0.00 33.01 32.21 1krw s GLN 2 CO 0.00 0.48 0.33 -0.09 -2.12 0.00 0.00 175.29 173.89 1krw h ARG 3 N 5.50 -0.23 -4.03 2.91 9.65 -2.06 -3.50 114.38 122.63 1krw h ARG 3 Ca -0.41 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.49 1krw h ARG 3 Cb 1.13 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.77 1krw h ARG 3 CO 0.47 -0.15 -0.15 0.41 2.80 0.00 0.00 179.97 183.35 1krw n GLY 4 N 1.07 -0.89 3.28 2.80 0.00 -1.26 -4.66 105.19 105.54 1krw n GLY 4 Ca -0.03 0.37 -0.36 0.00 0.00 0.00 0.00 46.02 46.00 1krw n GLY 4 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1krw s ILE 5 N -2.14 3.50 -0.23 -0.61 1.09 -1.26 -0.64 121.20 120.91 1krw s ILE 5 Ca 0.07 -0.87 -0.06 0.00 -1.10 0.00 0.00 60.65 58.69 1krw s ILE 5 Cb -0.02 -2.82 -0.02 0.00 -1.06 0.00 0.00 42.46 38.54 1krw s ILE 5 CO 0.34 0.10 0.03 0.54 -0.10 0.00 0.00 174.94 175.85 1krw s VAL 6 N 1.42 4.01 -0.12 2.92 0.11 0.17 0.14 120.40 129.04 1krw s VAL 6 Ca 0.01 -0.28 -0.01 0.00 -2.93 0.00 0.00 61.98 58.77 1krw s VAL 6 Cb -0.17 -2.85 -0.02 0.00 -1.53 0.00 0.00 36.38 31.81 1krw s VAL 6 CO -0.00 0.38 -0.09 0.26 -3.33 0.00 0.00 175.10 172.33 1krw s TRP 7 N 1.39 2.90 0.09 1.54 0.52 -0.93 -1.72 118.94 122.74 1krw s TRP 7 Ca 0.05 -0.32 0.08 0.00 0.02 0.00 0.00 56.10 55.93 1krw s TRP 7 Cb -0.15 -1.83 -0.03 0.00 -1.15 0.00 0.00 33.47 30.31 1krw s TRP 7 CO 0.01 0.02 -0.21 0.08 0.02 0.00 0.00 176.95 176.87 1krw s VAL 8 N -0.03 1.72 -0.27 4.03 1.01 0.18 -0.42 120.40 126.63 1krw s VAL 8 Ca -0.01 -1.49 0.00 0.00 0.00 0.00 0.00 61.98 60.48 1krw s VAL 8 Cb -0.14 -1.55 0.08 0.00 0.00 0.00 0.00 36.38 34.77 1krw s VAL 8 CO 0.03 -0.01 0.02 -0.69 0.00 0.00 0.00 175.10 174.45 1krw s VAL 9 N -1.10 1.31 -0.42 2.92 1.01 0.10 -0.31 120.40 123.92 1krw s VAL 9 Ca 0.07 -1.37 0.03 0.00 0.00 0.00 0.00 61.98 60.71 1krw s VAL 9 Cb -0.10 -1.80 0.27 0.00 0.00 0.00 0.00 36.38 34.75 1krw s VAL 9 CO 0.04 -0.38 1.07 -0.67 0.00 0.00 0.00 175.10 175.16 1krw n ASP 10 N 4.71 -2.19 0.00 3.32 -0.08 -1.01 -0.40 116.55 120.89 1krw n ASP 10 Ca -0.06 -2.77 0.00 0.00 -1.51 0.00 0.00 54.79 50.45 1krw n ASP 10 Cb 0.43 1.45 0.00 0.00 2.34 0.00 0.00 41.12 45.35 1krw n ASP 10 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1krw n ASP 11 N 1.33 -3.80 0.00 1.67 2.03 0.51 -4.18 116.55 114.11 1krw n ASP 11 Ca 0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.36 1krw n ASP 11 Cb 0.67 -2.99 0.00 0.00 -0.72 0.00 0.00 41.12 38.09 1krw n ASP 11 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1krw n ASP 12 N -0.61 0.00 0.00 1.67 5.75 -0.64 -4.46 116.55 118.25 1krw n ASP 12 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 1krw n ASP 12 Cb 0.31 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 1krw n ASP 12 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1krw n SER 13 N -3.26 0.00 0.11 -1.12 2.88 -1.26 -1.10 113.62 109.86 1krw n SER 13 Ca 0.00 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 1krw n SER 13 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1krw n SER 13 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1krw h SER 14 N 0.00 -0.64 0.06 -3.46 0.87 -1.90 0.06 113.55 108.54 1krw h SER 14 Ca 0.00 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1krw h SER 14 Cb 0.00 0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.18 1krw h SER 14 CO 0.00 -0.28 -0.00 0.40 -0.53 0.00 0.00 176.83 176.42 1krw h ILE 15 N -0.41 0.06 0.44 2.23 1.08 -1.28 -2.80 117.51 116.83 1krw h ILE 15 Ca -0.02 -0.03 -0.02 0.00 -0.39 0.00 0.00 64.86 64.40 1krw h ILE 15 Cb 0.37 1.03 0.00 0.00 -3.07 0.00 0.00 36.82 35.15 1krw h ILE 15 CO -0.06 0.00 -0.21 -0.09 -0.69 0.00 0.00 178.15 177.11 1krw h ARG 16 N 0.00 -0.56 -1.00 2.37 2.43 -1.06 -2.92 114.38 113.63 1krw h ARG 16 Ca -0.00 0.04 0.19 0.00 -0.81 0.00 0.00 59.98 59.40 1krw h ARG 16 Cb 0.03 0.13 -0.10 0.00 -0.42 0.00 0.00 29.97 29.61 1krw h ARG 16 CO 0.00 -0.30 0.61 2.35 -1.51 0.00 0.00 179.97 181.13 1krw h TRP 17 N -1.07 1.04 0.13 2.20 7.01 -0.76 0.81 115.95 125.31 1krw h TRP 17 Ca -0.06 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.97 1krw h TRP 17 Cb 0.53 -0.32 0.00 0.00 -2.10 0.00 0.00 29.16 27.28 1krw h TRP 17 CO 0.02 0.25 -0.06 0.28 -2.79 0.00 0.00 178.44 176.13 1krw h VAL 18 N 0.76 0.96 0.00 2.65 2.07 -1.58 -3.05 116.25 118.06 1krw h VAL 18 Ca 0.57 -0.39 -0.12 0.00 0.82 0.00 0.00 66.70 67.58 1krw h VAL 18 Cb 0.89 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 1krw h VAL 18 CO -0.36 0.09 -0.87 0.25 0.02 0.00 0.00 177.57 176.71 1krw h LEU 19 N -0.36 0.00 0.68 2.57 5.85 -1.24 -3.26 115.31 119.55 1krw h LEU 19 Ca -0.02 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1krw h LEU 19 Cb 0.29 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.33 1krw h LEU 19 CO 0.03 0.50 -0.33 1.05 -0.34 0.00 0.00 178.44 179.35 1krw h GLU 20 N 0.00 -0.88 0.19 1.25 4.11 0.57 -1.70 114.58 118.12 1krw h GLU 20 Ca -0.06 0.06 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 1krw h GLU 20 Cb 1.43 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.87 1krw h GLU 20 CO 0.05 -0.58 -0.15 0.00 0.07 0.00 0.00 179.01 178.40 1krw h ARG 21 N -1.24 -0.34 -0.37 1.06 2.47 -1.72 0.61 114.38 114.86 1krw h ARG 21 Ca -0.09 0.02 0.05 0.00 -1.26 0.00 0.00 59.98 58.70 1krw h ARG 21 Cb 0.71 0.08 -0.05 0.00 -1.65 0.00 0.00 29.97 29.06 1krw h ARG 21 CO 0.15 -0.23 0.10 0.00 0.56 0.00 0.00 179.97 180.55 1krw h ALA 22 N 0.43 0.41 0.00 0.04 0.00 -1.67 0.10 119.26 118.57 1krw h ALA 22 Ca -0.01 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1krw h ALA 22 Cb 0.32 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1krw h ALA 22 CO -0.01 -0.30 -0.30 1.25 0.00 0.00 0.00 179.25 179.88 1krw h LEU 23 N 0.23 0.00 -0.82 0.00 5.85 -1.18 -2.62 115.31 116.78 1krw h LEU 23 Ca 0.17 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.77 1krw h LEU 23 Cb 0.18 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1krw h LEU 23 CO -0.21 0.30 -0.38 0.00 -0.34 0.00 0.00 178.44 177.81 1krw h ALA 24 N 1.70 0.99 0.00 1.25 0.00 0.17 -2.15 119.26 121.22 1krw h ALA 24 Ca -0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1krw h ALA 24 Cb 0.88 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1krw h ALA 24 CO 0.04 0.61 -0.09 0.78 0.00 0.00 0.00 179.25 180.59 1krw h GLY 25 N 1.12 0.00 2.00 0.00 0.00 -0.47 0.00 103.07 105.73 1krw h GLY 25 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1krw h GLY 25 CO 0.07 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.61 1krw h ALA 26 N 1.91 1.00 0.00 3.60 0.00 -1.39 -3.47 119.26 120.91 1krw h ALA 26 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1krw h ALA 26 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1krw h ALA 26 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1krw n GLY 27 N 0.87 1.59 3.54 0.00 0.00 -0.01 -5.12 105.19 106.06 1krw n GLY 27 Ca 0.04 -0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1krw n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1krw s LEU 28 N 0.00 2.60 -0.49 0.99 1.02 -1.17 -4.87 118.68 116.76 1krw s LEU 28 Ca 0.00 -1.35 -0.18 0.00 0.02 0.00 0.00 54.13 52.63 1krw s LEU 28 Cb 0.00 -0.70 0.06 0.00 0.02 0.00 0.00 46.19 45.57 1krw s LEU 28 CO 0.00 -0.48 0.53 -0.89 0.02 0.00 0.00 176.35 175.53 1krw s THR 29 N -2.93 5.02 -0.38 5.49 2.01 0.18 -4.23 115.64 120.80 1krw s THR 29 Ca 0.35 -0.68 -0.12 0.00 0.31 0.00 0.00 61.69 61.55 1krw s THR 29 Cb 0.09 -4.22 0.02 0.00 0.01 0.00 0.00 72.50 68.40 1krw s THR 29 CO 0.17 -0.70 0.22 0.00 -0.69 0.00 0.00 174.62 173.62 1krw s THR 31 N 1.58 2.74 0.29 0.00 -1.32 -0.70 -4.65 115.64 113.58 1krw s THR 31 Ca 0.03 -1.85 0.06 0.00 -1.21 0.00 0.00 61.69 58.72 1krw s THR 31 Cb -0.19 -2.34 -0.06 0.00 -1.51 0.00 0.00 72.50 68.41 1krw s THR 31 CO 0.07 -0.11 -0.04 0.42 -2.21 0.00 0.00 174.62 172.76 1krw s THR 32 N -1.67 1.57 0.31 5.08 -4.23 -1.25 0.51 115.64 115.95 1krw s THR 32 Ca 0.22 -2.10 0.03 0.00 -1.18 0.00 0.00 61.69 58.67 1krw s THR 32 Cb -0.08 -2.50 -0.04 0.00 1.34 0.00 0.00 72.50 71.22 1krw s THR 32 CO 0.12 -0.26 0.17 -0.36 -0.54 0.00 0.00 174.62 173.75 1krw s PHE 33 N -3.06 1.60 0.10 3.99 0.40 0.58 -4.86 117.98 116.74 1krw s PHE 33 Ca 0.30 -1.39 -0.22 0.00 -0.60 0.00 0.00 56.93 55.03 1krw s PHE 33 Cb 0.05 -0.85 -0.12 0.00 0.51 0.00 0.00 43.02 42.61 1krw s PHE 33 CO 0.12 -0.54 1.73 1.05 0.70 0.00 0.00 175.22 178.27 1krw h GLU 34 N 2.21 0.11 0.00 0.44 -0.00 -1.89 -1.62 114.58 113.82 1krw h GLU 34 Ca -0.33 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.02 1krw h GLU 34 Cb 1.25 -0.02 0.00 0.00 -0.00 0.00 0.00 28.75 29.98 1krw h GLU 34 CO 0.51 0.10 0.00 0.09 -0.00 0.00 0.00 179.01 179.71 1krw n ASN 35 N -5.02 0.00 0.00 3.06 3.02 -1.26 -0.36 115.26 114.70 1krw n ASN 35 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 1krw n ASN 35 Cb 0.04 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 1krw n ASN 35 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1krw n GLY 36 N -0.34 -0.96 0.37 7.41 0.00 -1.26 -4.32 105.19 106.10 1krw n GLY 36 Ca 0.00 0.35 0.19 0.00 0.00 0.00 0.00 46.02 46.56 1krw n GLY 36 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1krw h ASN 37 N 0.00 0.06 0.57 1.61 -0.00 -1.97 -2.19 115.58 113.66 1krw h ASN 37 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 56.27 1krw h ASN 37 Cb 0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 38.32 38.32 1krw h ASN 37 CO 0.00 0.03 -0.28 -0.33 -0.00 0.00 0.00 177.43 176.86 1krw h GLU 38 N 0.06 -0.74 -0.73 6.67 4.39 -1.96 -2.01 114.58 120.26 1krw h GLU 38 Ca 0.25 0.05 0.14 0.00 0.34 0.00 0.00 59.36 60.14 1krw h GLU 38 Cb 0.91 0.17 -0.10 0.00 -0.10 0.00 0.00 28.75 29.63 1krw h GLU 38 CO -0.02 -0.49 0.24 0.28 -1.16 0.00 0.00 179.01 177.87 1krw h VAL 39 N -0.78 0.61 -0.82 3.13 2.07 -1.78 0.46 116.25 119.14 1krw h VAL 39 Ca -0.08 -0.13 0.14 0.00 0.82 0.00 0.00 66.70 67.46 1krw h VAL 39 Cb 0.59 0.22 -0.09 0.00 -1.52 0.00 0.00 31.29 30.48 1krw h VAL 39 CO 0.13 0.07 0.41 -0.07 0.02 0.00 0.00 177.57 178.12 1krw h LEU 40 N 0.37 0.47 0.06 2.57 3.38 -1.30 1.44 115.31 122.31 1krw h LEU 40 Ca 0.40 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.46 1krw h LEU 40 Cb 0.63 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1krw h LEU 40 CO -0.43 0.20 -0.03 0.00 0.09 0.00 0.00 178.44 178.26 1krw h ALA 41 N 1.55 -0.09 0.00 1.53 0.00 -0.19 -2.71 119.26 119.36 1krw h ALA 41 Ca 0.45 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 55.15 1krw h ALA 41 Cb 0.64 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1krw h ALA 41 CO -0.37 -0.45 -0.49 0.00 0.00 0.00 0.00 179.25 177.94 1krw h ALA 42 N 0.64 1.13 0.00 0.00 0.00 -0.76 -2.86 119.26 117.41 1krw h ALA 42 Ca -0.01 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1krw h ALA 42 Cb 0.24 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1krw h ALA 42 CO 0.01 0.61 -0.12 -0.07 0.00 0.00 0.00 179.25 179.69 1krw h LEU 43 N 0.00 0.00 -2.35 0.00 3.38 0.22 -2.07 115.31 114.49 1krw h LEU 43 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1krw h LEU 43 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1krw h LEU 43 CO 0.06 0.12 0.05 0.00 0.09 0.00 0.00 178.44 178.76 1krw h ALA 44 N 1.88 1.05 0.00 1.53 0.00 -1.24 -1.75 119.26 120.72 1krw h ALA 44 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1krw h ALA 44 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1krw h ALA 44 CO 0.02 -0.05 0.00 0.45 0.00 0.00 0.00 179.25 179.67 1krw n SER 45 N -2.78 1.04 -3.46 0.00 2.88 -0.81 -5.08 113.62 105.42 1krw n SER 45 Ca -0.02 -1.26 -0.11 0.00 -1.33 0.00 0.00 58.87 56.14 1krw n SER 45 Cb 0.11 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.54 1krw n SER 45 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1krw s LYS 46 N -0.26 1.09 -0.11 -1.46 2.20 -0.66 -5.15 119.74 115.39 1krw s LYS 46 Ca 0.00 -0.34 -0.03 0.00 -0.36 0.00 0.00 55.97 55.24 1krw s LYS 46 Cb 0.00 0.50 0.04 0.00 -1.51 0.00 0.00 37.83 36.86 1krw s LYS 46 CO 0.00 -0.46 0.06 0.99 -0.36 0.00 0.00 175.35 175.57 1krw s THR 47 N -3.28 0.05 0.84 3.43 2.01 -1.26 -4.08 115.64 113.35 1krw s THR 47 Ca 0.01 0.07 -0.12 0.00 0.31 0.00 0.00 61.69 61.96 1krw s THR 47 Cb -0.01 -0.46 0.09 0.00 0.01 0.00 0.00 72.50 72.14 1krw s THR 47 CO -0.10 -0.01 1.10 -2.16 -0.69 0.00 0.00 174.62 172.77 1krw s PRO 48 N 2.09 1.73 0.21 4.92 0.04 -1.26 -4.97 135.00 137.76 1krw s PRO 48 Ca 0.03 0.62 0.10 0.00 0.04 0.00 0.00 61.00 61.80 1krw s PRO 48 Cb -0.14 -1.88 0.08 0.00 0.04 0.00 0.00 34.50 32.60 1krw s PRO 48 CO -0.06 -1.86 1.45 -0.44 0.04 0.00 0.00 177.00 176.13 1krw h ASP 49 N -1.26 0.00 -2.17 6.66 3.32 0.80 -3.43 116.42 120.33 1krw h ASP 49 Ca -0.48 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.33 1krw h ASP 49 Cb 1.28 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 40.51 1krw h ASP 49 CO 0.59 0.77 -0.56 0.54 -1.72 0.00 0.00 179.24 178.86 1krw s VAL 50 N -3.12 -0.47 0.06 -1.35 0.11 -1.12 -4.70 120.40 109.82 1krw s VAL 50 Ca 0.00 -0.15 -0.22 0.00 -2.93 0.00 0.00 61.98 58.68 1krw s VAL 50 Cb 0.11 -0.79 -0.06 0.00 -1.53 0.00 0.00 36.38 34.11 1krw s VAL 50 CO 0.78 -0.21 0.67 -0.22 -3.33 0.00 0.00 175.10 172.79 1krw s LEU 51 N 2.43 4.48 -0.12 2.54 2.96 0.30 -2.18 118.68 129.10 1krw s LEU 51 Ca 0.10 1.35 0.02 0.00 -0.22 0.00 0.00 54.13 55.37 1krw s LEU 51 Cb -0.15 -3.07 0.02 0.00 0.50 0.00 0.00 46.19 43.49 1krw s LEU 51 CO -0.17 0.14 -0.16 -0.22 -1.32 0.00 0.00 176.35 174.62 1krw s LEU 52 N -0.54 1.78 -0.09 -0.68 0.20 0.44 -0.36 118.68 119.44 1krw s LEU 52 Ca 0.33 -0.47 0.00 0.00 0.69 0.00 0.00 54.13 54.68 1krw s LEU 52 Cb -0.20 -1.17 -0.03 0.00 -0.43 0.00 0.00 46.19 44.36 1krw s LEU 52 CO 0.21 0.01 -0.08 -0.44 -0.29 0.00 0.00 176.35 175.76 1krw s SER 53 N 1.07 4.54 0.11 3.68 0.01 0.33 0.00 113.70 123.44 1krw s SER 53 Ca -0.04 -0.10 0.26 0.00 1.31 0.00 0.00 55.95 57.38 1krw s SER 53 Cb -0.15 -1.33 0.80 0.00 0.21 0.00 0.00 66.02 65.56 1krw s SER 53 CO -0.04 0.30 1.68 -0.67 0.41 0.00 0.00 173.24 174.92 1krw n ASP 54 N 2.67 0.53 -3.74 2.44 2.03 0.46 -2.65 116.55 118.29 1krw n ASP 54 Ca -0.18 0.37 -0.23 0.00 0.52 0.00 0.00 54.79 55.27 1krw n ASP 54 Cb 0.53 -0.40 0.00 0.00 -0.72 0.00 0.00 41.12 40.53 1krw n ASP 54 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1krw n ILE 55 N -1.93 -3.97 -1.99 5.18 3.06 -1.26 -4.57 119.36 113.88 1krw n ILE 55 Ca 0.05 -0.06 -0.30 0.00 -2.50 0.00 0.00 62.75 59.94 1krw n ILE 55 Cb 0.40 -3.29 0.03 0.00 0.54 0.00 0.00 39.64 37.31 1krw n ILE 55 CO 0.00 0.00 0.00 -1.14 -2.50 0.00 0.00 176.55 172.91 1krw n ARG 56 N -2.65 3.21 -3.53 9.51 0.63 -1.24 -4.70 116.66 117.90 1krw n ARG 56 Ca -0.29 -3.96 -0.21 0.00 -0.92 0.00 0.00 57.85 52.47 1krw n ARG 56 Cb 0.67 -2.27 0.08 0.00 0.45 0.00 0.00 32.46 31.39 1krw n ARG 56 CO 0.00 0.00 0.00 -0.12 -2.51 0.00 0.00 177.63 175.00 1krw n MET 57 N -0.65 -7.25 0.00 -0.14 1.56 0.49 -4.92 117.12 106.20 1krw n MET 57 Ca 0.48 0.83 0.00 0.00 -0.27 0.00 0.00 57.70 58.74 1krw n MET 57 Cb 0.67 -5.86 0.00 0.00 2.15 0.00 0.00 33.22 30.18 1krw n MET 57 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 1krw n PRO 58 N -4.58 0.00 -0.03 2.12 -0.04 -1.26 -4.57 135.00 126.64 1krw n PRO 58 Ca -0.14 0.22 -0.02 0.00 -0.04 0.00 0.00 63.50 63.52 1krw n PRO 58 Cb 0.61 -1.09 -0.06 0.00 -0.04 0.00 0.00 33.50 32.92 1krw n PRO 58 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1krw n GLY 59 N 0.04 -0.38 2.64 0.55 0.00 -1.26 -4.86 105.19 101.92 1krw n GLY 59 Ca 0.00 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 1krw n GLY 59 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1krw n MET 60 N -2.17 0.80 0.00 1.61 0.00 -1.26 -4.92 117.12 111.18 1krw n MET 60 Ca -0.10 -2.05 0.00 0.00 -0.00 0.00 0.00 57.70 55.55 1krw n MET 60 Cb 0.63 -1.38 0.00 0.00 0.00 0.00 0.00 33.22 32.47 1krw n MET 60 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1krw n ASP 61 N 1.41 0.00 0.00 6.12 -0.08 -1.26 -2.02 116.55 120.72 1krw n ASP 61 Ca 0.11 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.39 1krw n ASP 61 Cb 0.62 -0.10 0.00 0.00 2.34 0.00 0.00 41.12 43.99 1krw n ASP 61 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1krw n GLY 62 N -0.52 1.30 0.13 0.27 0.00 -1.26 -0.38 105.19 104.72 1krw n GLY 62 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1krw n GLY 62 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1krw h LEU 63 N 0.00 0.00 -0.67 0.99 4.07 -1.76 -3.08 115.31 114.86 1krw h LEU 63 Ca 0.00 0.00 0.10 0.00 0.08 0.00 0.00 57.88 58.06 1krw h LEU 63 Cb 0.00 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 41.66 1krw h LEU 63 CO 0.00 0.00 0.28 0.00 -1.08 0.00 0.00 178.44 177.64 1krw h ALA 64 N 2.35 0.90 -0.72 1.53 0.00 -1.89 0.12 119.26 121.55 1krw h ALA 64 Ca 0.00 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1krw h ALA 64 Cb 0.54 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1krw h ALA 64 CO 0.00 -0.14 0.47 1.37 0.00 0.00 0.00 179.25 180.95 1krw h LEU 65 N 0.48 0.73 -0.33 0.00 8.10 -1.87 -2.03 115.31 120.40 1krw h LEU 65 Ca 0.34 -0.01 0.05 0.00 0.11 0.00 0.00 57.88 58.37 1krw h LEU 65 Cb 0.42 -0.17 -0.05 0.00 -0.44 0.00 0.00 40.66 40.42 1krw h LEU 65 CO -0.31 0.50 0.05 -0.07 -4.11 0.00 0.00 178.44 174.49 1krw h LEU 66 N 0.85 -0.03 -0.74 0.17 3.38 -0.92 -0.82 115.31 117.20 1krw h LEU 66 Ca 0.29 0.06 0.12 0.00 0.09 0.00 0.00 57.88 58.44 1krw h LEU 66 Cb 0.10 0.09 -0.08 0.00 0.09 0.00 0.00 40.66 40.85 1krw h LEU 66 CO -0.09 0.02 0.34 0.50 0.09 0.00 0.00 178.44 179.30 1krw h LYS 67 N 0.15 0.52 0.00 1.13 1.63 -1.03 0.13 116.57 119.11 1krw h LYS 67 Ca 0.15 -0.03 -0.06 0.00 -0.85 0.00 0.00 60.65 59.87 1krw h LYS 67 Cb 0.18 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.69 1krw h LYS 67 CO -0.22 0.35 -0.27 1.96 -3.45 0.00 0.00 179.45 177.81 1krw h GLN 68 N 0.54 0.00 -0.59 1.90 1.08 -1.17 -2.79 115.11 114.08 1krw h GLN 68 Ca 0.38 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.52 1krw h GLN 68 Cb 0.49 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.90 1krw h GLN 68 CO -0.33 0.27 0.10 0.82 -0.95 0.00 0.00 178.83 178.75 1krw h ILE 69 N 0.00 1.25 0.00 2.54 2.04 0.63 0.81 117.51 124.77 1krw h ILE 69 Ca -0.00 -0.94 -0.15 0.00 1.00 0.00 0.00 64.86 64.77 1krw h ILE 69 Cb 0.56 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1krw h ILE 69 CO 0.04 0.35 -0.70 0.07 0.00 0.00 0.00 178.15 177.90 1krw h LYS 70 N 0.89 0.00 0.01 2.37 2.10 -1.21 0.86 116.57 121.59 1krw h LYS 70 Ca 0.18 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.57 1krw h LYS 70 Cb 0.38 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.67 1krw h LYS 70 CO 0.01 0.70 -1.46 0.37 -2.00 0.00 0.00 179.45 177.08 1krw h GLN 71 N 0.00 0.02 0.00 0.07 -0.00 -1.29 -3.42 115.11 110.50 1krw h GLN 71 Ca -0.01 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.60 1krw h GLN 71 Cb 1.29 0.01 0.00 0.00 0.00 0.00 0.00 27.48 28.79 1krw h GLN 71 CO 0.09 0.73 -0.10 0.54 0.00 0.00 0.00 178.83 180.08 1krw n ARG 72 N -3.19 0.09 -3.23 1.69 1.74 0.28 -4.95 116.66 109.08 1krw n ARG 72 Ca -0.11 0.29 -0.36 0.00 -0.77 0.00 0.00 57.85 56.90 1krw n ARG 72 Cb 1.01 -0.93 -0.06 0.00 -1.02 0.00 0.00 32.46 31.47 1krw n ARG 72 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1krw s HIS 73 N -1.25 3.63 0.02 -1.55 0.09 0.29 -5.02 115.29 111.50 1krw s HIS 73 Ca -0.03 1.22 -0.09 0.00 -0.00 0.00 0.00 55.06 56.16 1krw s HIS 73 Cb 0.00 -2.49 -0.05 0.00 -0.00 0.00 0.00 32.58 30.05 1krw s HIS 73 CO 0.04 0.39 1.14 -1.35 -0.00 0.00 0.00 174.74 174.96 1krw h PRO 74 N 3.51 -0.26 -0.29 8.40 0.11 -1.85 -3.37 132.00 138.25 1krw h PRO 74 Ca -0.48 0.02 -0.22 0.00 0.11 0.00 0.00 66.00 65.43 1krw h PRO 74 Cb 1.19 0.06 -0.31 0.00 0.11 0.00 0.00 31.00 32.05 1krw h PRO 74 CO 0.65 -0.17 -0.83 -1.33 -0.21 0.00 0.00 178.00 176.11 1krw n MET 75 N -3.06 1.60 -1.90 1.05 2.81 -1.26 -4.82 117.12 111.54 1krw n MET 75 Ca -0.03 -2.72 -0.42 0.00 -1.81 0.00 0.00 57.70 52.72 1krw n MET 75 Cb 0.12 -0.91 -0.03 0.00 -0.71 0.00 0.00 33.22 31.69 1krw n MET 75 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 1krw s LEU 76 N -3.91 4.37 0.19 4.03 2.96 -1.26 -4.67 118.68 120.39 1krw s LEU 76 Ca 0.21 2.64 -0.30 0.00 -0.22 0.00 0.00 54.13 56.46 1krw s LEU 76 Cb 0.37 -3.59 -0.08 0.00 0.50 0.00 0.00 46.19 43.38 1krw s LEU 76 CO -0.07 -0.85 1.24 -2.16 -1.32 0.00 0.00 176.35 173.18 1krw s PRO 77 N 1.33 4.45 0.09 0.98 0.04 -1.21 -4.26 135.00 136.42 1krw s PRO 77 Ca 0.71 1.94 0.08 0.00 0.04 0.00 0.00 61.00 63.78 1krw s PRO 77 Cb -0.44 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 30.84 1krw s PRO 77 CO 0.31 -0.15 -0.22 0.08 0.04 0.00 0.00 177.00 177.07 1krw s VAL 78 N -0.02 1.81 -0.19 -0.36 1.01 -1.25 -0.54 120.40 120.87 1krw s VAL 78 Ca 0.54 -1.49 0.00 0.00 0.00 0.00 0.00 61.98 61.03 1krw s VAL 78 Cb -0.34 -1.61 0.04 0.00 0.00 0.00 0.00 36.38 34.47 1krw s VAL 78 CO 0.37 0.04 -0.08 -0.63 0.00 0.00 0.00 175.10 174.81 1krw s ILE 79 N -1.05 1.38 -0.09 2.22 1.01 0.52 0.74 121.20 125.93 1krw s ILE 79 Ca 0.08 -0.85 -0.10 0.00 0.00 0.00 0.00 60.65 59.78 1krw s ILE 79 Cb -0.10 -1.52 -0.05 0.00 0.01 0.00 0.00 42.46 40.80 1krw s ILE 79 CO 0.04 0.13 0.22 -0.63 0.00 0.00 0.00 174.94 174.70 1krw s ILE 80 N 1.51 5.36 0.19 2.92 -1.09 -1.17 0.12 121.20 129.03 1krw s ILE 80 Ca -0.01 0.41 0.07 0.00 -2.23 0.00 0.00 60.65 58.89 1krw s ILE 80 Cb -0.16 -3.50 -0.12 0.00 -1.58 0.00 0.00 42.46 37.10 1krw s ILE 80 CO -0.08 0.59 1.44 0.00 -1.23 0.00 0.00 174.94 175.66 1krw h MET 81 N 5.00 0.05 -3.62 2.79 -0.00 -1.75 -1.92 114.93 115.49 1krw h MET 81 Ca -0.53 -0.06 -0.09 0.00 -0.00 0.00 0.00 59.70 59.02 1krw h MET 81 Cb 1.22 0.02 -0.16 0.00 -0.00 0.00 0.00 31.60 32.68 1krw h MET 81 CO 0.60 0.84 -0.35 0.99 -0.00 0.00 0.00 176.91 178.99 1krw s THR 82 N -3.20 0.12 -0.15 -0.10 2.01 -1.25 -3.87 115.64 109.20 1krw s THR 82 Ca -0.01 -0.97 0.01 0.00 0.31 0.00 0.00 61.69 61.03 1krw s THR 82 Cb 0.11 -1.11 0.01 0.00 0.01 0.00 0.00 72.50 71.53 1krw s THR 82 CO 0.80 -0.53 0.55 0.00 -0.69 0.00 0.00 174.62 174.74 1krw n ALA 83 N 0.32 2.49 0.00 7.40 0.00 -1.26 -4.80 120.51 124.66 1krw n ALA 83 Ca -0.17 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1krw n ALA 83 Cb 0.61 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1krw n ALA 83 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1krw n HIS 84 N 0.06 0.00 0.00 0.00 1.44 -1.26 -3.21 115.22 112.25 1krw n HIS 84 Ca 0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.72 1krw n HIS 84 Cb 0.04 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.15 1krw n HIS 84 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 1krw n SER 85 N 0.57 0.78 -0.92 4.39 7.64 -1.26 -4.83 113.62 119.99 1krw n SER 85 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1krw n SER 85 Cb 0.00 0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 1krw n SER 85 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1krw n ASP 86 N -0.39 2.50 0.19 6.43 8.00 -1.20 -4.41 116.55 127.68 1krw n ASP 86 Ca 0.00 -1.87 0.14 0.00 0.71 0.00 0.00 54.79 53.77 1krw n ASP 86 Cb 0.02 -0.47 0.49 0.00 -0.02 0.00 0.00 41.12 41.15 1krw n ASP 86 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1krw h LEU 87 N 0.91 0.00 -0.46 0.64 6.46 -1.88 -2.03 115.31 118.95 1krw h LEU 87 Ca 0.00 0.00 0.09 0.00 -0.12 0.00 0.00 57.88 57.85 1krw h LEU 87 Cb 0.86 0.00 -0.10 0.00 -0.73 0.00 0.00 40.66 40.69 1krw h LEU 87 CO 0.00 0.00 -0.28 -0.78 -0.62 0.00 0.00 178.44 176.76 1krw h ASP 88 N 0.00 -0.94 0.40 1.25 3.58 -1.93 0.49 116.42 119.28 1krw h ASP 88 Ca 0.12 0.19 -0.00 0.00 0.42 0.00 0.00 57.03 57.76 1krw h ASP 88 Cb 1.55 0.47 -0.00 0.00 1.72 0.00 0.00 39.33 43.07 1krw h ASP 88 CO -0.00 -0.28 -0.01 0.00 -2.88 0.00 0.00 179.24 176.07 1krw h ALA 89 N 1.01 1.02 -0.17 -0.78 0.00 -1.73 -1.92 119.26 116.68 1krw h ALA 89 Ca 0.21 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 1krw h ALA 89 Cb 0.51 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1krw h ALA 89 CO -0.57 0.01 -0.38 0.00 0.00 0.00 0.00 179.25 178.31 1krw h ALA 90 N 1.99 1.02 -0.26 0.00 0.00 -0.15 -2.89 119.26 118.98 1krw h ALA 90 Ca -0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1krw h ALA 90 Cb 0.21 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1krw h ALA 90 CO 0.00 0.60 0.08 0.28 0.00 0.00 0.00 179.25 180.22 1krw h VAL 91 N 0.32 1.19 0.00 0.00 2.07 -0.97 -0.94 116.25 117.92 1krw h VAL 91 Ca 0.03 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1krw h VAL 91 Cb 0.82 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1krw h VAL 91 CO 0.07 0.20 0.00 0.77 0.02 0.00 0.00 177.57 178.63 1krw h SER 92 N 0.25 0.00 0.05 0.57 4.64 -1.60 -2.41 113.55 115.05 1krw h SER 92 Ca 0.08 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1krw h SER 92 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1krw h SER 92 CO -0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 176.83 175.93 1krw h ALA 93 N 2.03 -0.07 -0.42 5.18 0.00 -0.98 -2.47 119.26 122.53 1krw h ALA 93 Ca 0.00 -0.32 0.06 0.00 0.00 0.00 0.00 54.91 54.65 1krw h ALA 93 Cb 0.09 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1krw h ALA 93 CO 0.00 -0.15 0.29 1.88 0.00 0.00 0.00 179.25 181.27 1krw h TYR 94 N -0.84 0.33 0.02 0.00 0.05 -0.92 1.01 116.97 116.61 1krw h TYR 94 Ca -0.01 0.01 -0.20 0.00 0.05 0.00 0.00 58.73 58.58 1krw h TYR 94 Cb 0.66 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.28 1krw h TYR 94 CO 0.16 0.18 -0.93 -0.56 -1.05 0.00 0.00 178.16 175.95 1krw h GLN 95 N 0.33 0.14 0.00 4.88 -0.00 -1.58 -3.19 115.11 115.69 1krw h GLN 95 Ca 0.19 -0.17 0.00 0.00 -0.00 0.00 0.00 58.65 58.67 1krw h GLN 95 Cb 0.32 0.05 0.00 0.00 -0.00 0.00 0.00 27.48 27.85 1krw h GLN 95 CO -0.04 0.97 -0.24 -0.56 -0.00 0.00 0.00 178.83 178.96 1krw h GLN 96 N 0.07 0.00 0.00 0.06 -0.00 -0.72 -3.47 115.11 111.05 1krw h GLN 96 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.61 1krw h GLN 96 Cb 1.60 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.08 1krw h GLN 96 CO 0.14 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.38 1krw n GLY 97 N 1.28 0.16 3.63 0.06 0.00 0.05 -4.07 105.19 106.29 1krw n GLY 97 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1krw n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1krw n ALA 98 N 0.00 -0.14 -0.07 4.61 0.00 0.33 -3.34 120.51 121.91 1krw n ALA 98 Ca 0.00 -0.19 -0.10 0.00 0.00 0.00 0.00 53.44 53.15 1krw n ALA 98 Cb 0.00 -2.14 -0.08 0.00 0.00 0.00 0.00 19.45 17.23 1krw n ALA 98 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1krw h PHE 99 N -0.26 0.00 0.00 0.00 3.57 0.02 -3.42 116.94 116.84 1krw h PHE 99 Ca -0.47 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.03 1krw h PHE 99 Cb 1.33 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.07 1krw h PHE 99 CO 0.41 0.70 0.00 -0.40 -2.23 0.00 0.00 178.31 176.79 1krw n ASP 100 N -4.64 0.00 -3.97 0.41 5.75 -1.13 -4.99 116.55 107.99 1krw n ASP 100 Ca -0.10 0.00 -0.09 0.00 -0.01 0.00 0.00 54.79 54.59 1krw n ASP 100 Cb 0.35 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.34 1krw n ASP 100 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1krw s TYR 101 N -3.00 0.26 -0.27 2.11 1.51 -1.26 -3.07 117.35 113.64 1krw s TYR 101 Ca 0.00 -0.58 -0.10 0.00 -1.01 0.00 0.00 57.07 55.38 1krw s TYR 101 Cb 0.00 -0.19 -0.04 0.00 -0.11 0.00 0.00 41.96 41.61 1krw s TYR 101 CO 0.00 -0.30 0.14 -0.51 -1.11 0.00 0.00 175.55 173.77 1krw s LEU 102 N -1.97 3.80 0.01 -1.29 1.02 -0.72 -4.98 118.68 114.55 1krw s LEU 102 Ca -0.07 -0.08 -0.03 0.00 0.02 0.00 0.00 54.13 53.96 1krw s LEU 102 Cb -0.03 -2.05 -0.01 0.00 0.02 0.00 0.00 46.19 44.12 1krw s LEU 102 CO -0.04 -0.04 1.05 -0.65 0.02 0.00 0.00 176.35 176.68 1krw h PRO 103 N 8.32 -0.09 0.00 1.29 0.11 -1.92 -3.34 132.00 136.38 1krw h PRO 103 Ca -0.36 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1krw h PRO 103 Cb 1.18 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1krw h PRO 103 CO 0.56 -0.06 -0.02 1.63 -0.21 0.00 0.00 178.00 179.90 1krw n LYS 104 N -2.48 0.00 -0.74 1.05 4.76 -1.26 -4.70 118.16 114.79 1krw n LYS 104 Ca -0.01 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.11 1krw n LYS 104 Cb 0.04 -0.29 0.14 0.00 -1.84 0.00 0.00 35.03 33.08 1krw n LYS 104 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1krw n PRO 105 N -3.47 -0.58 0.00 1.97 -0.02 -1.26 -4.96 135.00 126.68 1krw n PRO 105 Ca 0.00 -0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 1krw n PRO 105 Cb 0.01 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 1krw n PRO 105 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1krw n PHE 106 N -3.89 0.00 -0.59 6.00 7.35 -1.26 -4.87 117.46 120.20 1krw n PHE 106 Ca 0.07 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.78 1krw n PHE 106 Cb 0.54 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.37 1krw n PHE 106 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1krw n ASP 107 N 0.00 -1.46 -0.13 -2.13 5.68 -1.26 -1.53 116.55 115.72 1krw n ASP 107 Ca 0.00 0.17 -0.11 0.00 -0.50 0.00 0.00 54.79 54.35 1krw n ASP 107 Cb 0.00 -0.70 -0.02 0.00 -1.14 0.00 0.00 41.12 39.26 1krw n ASP 107 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 1krw h ILE 108 N -0.15 1.28 -0.12 2.12 5.03 -2.00 0.32 117.51 123.99 1krw h ILE 108 Ca 0.00 -1.24 0.03 0.00 -0.12 0.00 0.00 64.86 63.53 1krw h ILE 108 Cb 0.15 1.27 -0.06 0.00 -3.03 0.00 0.00 36.82 35.14 1krw h ILE 108 CO 0.00 0.41 -0.51 -0.78 -0.68 0.00 0.00 178.15 176.60 1krw h ASP 109 N 0.58 -1.59 0.57 1.72 3.58 -1.99 1.22 116.42 120.52 1krw h ASP 109 Ca 0.09 0.19 -0.20 0.00 0.42 0.00 0.00 57.03 57.54 1krw h ASP 109 Cb 0.67 0.63 -0.01 0.00 1.72 0.00 0.00 39.33 42.34 1krw h ASP 109 CO 0.05 -0.47 -0.89 -0.33 -2.88 0.00 0.00 179.24 174.72 1krw h GLU 110 N -0.56 0.21 0.64 0.28 4.39 -1.33 -2.07 114.58 116.13 1krw h GLU 110 Ca 0.05 -0.23 -0.03 0.00 0.34 0.00 0.00 59.36 59.48 1krw h GLU 110 Cb 0.67 0.07 0.01 0.00 -0.10 0.00 0.00 28.75 29.40 1krw h GLU 110 CO -0.42 0.97 -0.31 0.00 -1.16 0.00 0.00 179.01 178.09 1krw h ALA 111 N 0.95 -0.86 -0.18 3.43 0.00 -0.48 -0.95 119.26 121.16 1krw h ALA 111 Ca -0.05 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1krw h ALA 111 Cb 1.52 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 1krw h ALA 111 CO 0.14 -0.82 0.12 0.28 0.00 0.00 0.00 179.25 178.96 1krw h VAL 112 N -1.19 1.01 -0.42 0.00 2.07 0.14 0.20 116.25 118.05 1krw h VAL 112 Ca -0.09 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1krw h VAL 112 Cb 0.68 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 1krw h VAL 112 CO 0.15 0.03 0.17 0.00 0.02 0.00 0.00 177.57 177.94 1krw h ALA 113 N 1.90 0.55 0.00 1.67 0.00 -1.28 -1.30 119.26 120.79 1krw h ALA 113 Ca 0.07 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1krw h ALA 113 Cb 0.06 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1krw h ALA 113 CO -0.01 0.15 -0.12 1.25 0.00 0.00 0.00 179.25 180.51 1krw h LEU 114 N 0.54 0.00 0.10 0.00 5.85 -0.01 -3.02 115.31 118.77 1krw h LEU 114 Ca 0.14 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.70 1krw h LEU 114 Cb 0.18 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.23 1krw h LEU 114 CO -0.01 0.12 -0.68 1.62 -0.34 0.00 0.00 178.44 179.15 1krw h VAL 115 N 0.00 1.53 -0.30 1.05 3.04 -0.35 -3.05 116.25 118.17 1krw h VAL 115 Ca -0.00 -2.43 -0.04 0.00 -1.01 0.00 0.00 66.70 63.22 1krw h VAL 115 Cb 1.06 3.12 -0.01 0.00 -2.01 0.00 0.00 31.29 33.45 1krw h VAL 115 CO 0.02 0.68 0.02 -0.33 -1.01 0.00 0.00 177.57 176.95 1krw h GLU 116 N -0.40 0.51 0.00 4.17 5.08 -1.35 -2.36 114.58 120.23 1krw h GLU 116 Ca -0.11 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1krw h GLU 116 Cb 1.51 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.70 1krw h GLU 116 CO 0.13 0.63 -0.00 0.00 -1.00 0.00 0.00 179.01 178.77 1krw h ARG 117 N 0.32 0.00 -0.03 2.33 3.08 -1.66 -1.39 114.38 117.03 1krw h ARG 117 Ca 0.09 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 1krw h ARG 117 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1krw h ARG 117 CO 0.01 0.00 -0.07 0.00 -1.07 0.00 0.00 179.97 178.84 1krw h ALA 118 N 2.00 0.04 -0.08 0.04 0.00 -1.31 -0.63 119.26 119.32 1krw h ALA 118 Ca -0.00 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 1krw h ALA 118 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1krw h ALA 118 CO 0.00 -0.10 -0.22 0.82 0.00 0.00 0.00 179.25 179.75 1krw h ILE 119 N -0.48 1.20 0.33 0.00 2.04 -1.11 -0.27 117.51 119.22 1krw h ILE 119 Ca -0.00 -0.92 -0.02 0.00 1.00 0.00 0.00 64.86 64.92 1krw h ILE 119 Cb 0.69 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 1krw h ILE 119 CO 0.02 0.27 -0.16 -1.28 0.00 0.00 0.00 178.15 177.00 1krw h SER 120 N 0.13 -0.38 0.04 1.72 0.87 -1.27 -1.50 113.55 113.17 1krw h SER 120 Ca 0.02 -0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1krw h SER 120 Cb 0.46 0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.52 1krw h SER 120 CO 0.03 0.09 -0.02 0.45 -0.53 0.00 0.00 176.83 176.84 1krw h HIS 121 N -1.06 0.00 0.26 2.24 3.86 -1.09 -2.91 115.15 116.46 1krw h HIS 121 Ca -0.05 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.15 1krw h HIS 121 Cb 0.44 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.91 1krw h HIS 121 CO 0.02 0.02 -0.13 -0.92 0.86 0.00 0.00 177.93 177.79 1krw h TYR 122 N 0.00 -0.33 -3.06 2.45 3.20 -1.07 -3.50 116.97 114.67 1krw h TYR 122 Ca -0.00 -0.01 0.32 0.00 3.14 0.00 0.00 58.73 62.18 1krw h TYR 122 Cb 0.05 0.11 -0.13 0.00 1.54 0.00 0.00 36.73 38.30 1krw h TYR 122 CO 0.00 -0.07 -0.79 0.94 -1.64 0.00 0.00 178.16 176.60 1krw n GLN 123 N -5.01 -2.70 0.00 1.82 7.27 -0.57 -5.09 117.38 113.11 1krw n GLN 123 Ca -0.06 2.02 0.00 0.00 0.07 0.00 0.00 57.00 59.03 1krw n GLN 123 Cb 0.20 -3.30 0.00 0.00 2.41 0.00 0.00 30.24 29.56 1krw n GLN 123 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22