#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1krw n GLN 2 N 0.00 0.00 0.00 0.03 -0.06 -1.26 -4.77 117.38 111.32 1krw n GLN 2 Ca 0.00 0.00 0.03 0.00 -2.00 0.00 0.00 57.00 55.03 1krw n GLN 2 Cb 0.00 -1.09 0.12 0.00 -4.06 0.00 0.00 30.24 25.21 1krw n GLN 2 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 1krw n ARG 3 N -1.80 0.00 -2.50 3.69 3.00 -1.26 -4.87 116.66 112.91 1krw n ARG 3 Ca 0.00 0.40 -0.06 0.00 -0.00 0.00 0.00 57.85 58.19 1krw n ARG 3 Cb 0.00 -1.50 0.03 0.00 0.00 0.00 0.00 32.46 30.99 1krw n ARG 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1krw n GLY 4 N -0.91 -0.48 3.49 5.14 0.00 -1.26 -4.73 105.19 106.43 1krw n GLY 4 Ca 0.01 0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.16 5.01 -0.20 -0.61 1.09 -1.26 -2.15 121.20 119.92 1krw s ILE 5 Ca 0.19 -0.33 -0.07 0.00 -1.10 0.00 0.00 60.65 59.34 1krw s ILE 5 Cb -0.02 -3.59 -0.03 0.00 -1.06 0.00 0.00 42.46 37.76 1krw s ILE 5 CO 0.44 -0.00 0.04 0.54 -0.10 0.00 0.00 174.94 175.86 1krw s VAL 6 N 1.67 4.44 -0.15 2.92 0.11 0.13 0.38 120.40 129.90 1krw s VAL 6 Ca 0.05 -0.15 0.01 0.00 -2.93 0.00 0.00 61.98 58.96 1krw s VAL 6 Cb -0.17 -3.02 -0.00 0.00 -1.53 0.00 0.00 36.38 31.66 1krw s VAL 6 CO 0.09 0.42 -0.16 0.26 -3.33 0.00 0.00 175.10 172.38 1krw s TRP 7 N 0.81 2.76 0.07 1.54 0.52 -0.88 -1.98 118.94 121.77 1krw s TRP 7 Ca 0.03 -1.01 0.06 0.00 0.02 0.00 0.00 56.10 55.19 1krw s TRP 7 Cb -0.14 -1.86 -0.04 0.00 -1.15 0.00 0.00 33.47 30.28 1krw s TRP 7 CO 0.02 -0.45 -0.08 0.08 0.02 0.00 0.00 176.95 176.54 1krw s VAL 8 N 0.72 3.50 -0.18 4.03 1.01 0.20 0.54 120.40 130.22 1krw s VAL 8 Ca -0.07 -1.10 -0.01 0.00 0.00 0.00 0.00 61.98 60.79 1krw s VAL 8 Cb -0.16 -2.60 0.05 0.00 0.00 0.00 0.00 36.38 33.67 1krw s VAL 8 CO 0.01 0.19 -0.02 -0.69 0.00 0.00 0.00 175.10 174.60 1krw s VAL 9 N -1.16 0.93 0.00 2.92 1.01 0.32 -0.79 120.40 123.64 1krw s VAL 9 Ca 0.21 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1krw s VAL 9 Cb -0.11 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 35.05 1krw s VAL 9 CO 0.12 0.01 0.00 -0.67 0.00 0.00 0.00 175.10 174.56 1krw n ASP 10 N 4.92 0.00 0.00 3.32 -0.08 -1.01 -1.20 116.55 122.50 1krw n ASP 10 Ca -0.11 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.23 1krw n ASP 10 Cb 0.47 0.00 0.32 0.00 2.34 0.00 0.00 41.12 44.25 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 0.00 0.00 0.00 1.67 2.03 -1.26 -3.10 116.55 115.89 1krw n ASP 11 Ca 0.00 -0.39 0.00 0.00 0.52 0.00 0.00 54.79 54.92 1krw n ASP 11 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1krw n ASP 11 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1krw n ASP 12 N -0.96 -1.90 0.00 1.67 2.03 -1.24 -4.67 116.55 111.47 1krw n ASP 12 Ca 0.08 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.39 1krw n ASP 12 Cb 0.04 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.44 1krw n ASP 12 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1krw n SER 13 N -2.16 0.00 0.17 1.67 2.88 -1.26 -0.37 113.62 114.54 1krw n SER 13 Ca 0.00 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.39 1krw n SER 13 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 1krw n SER 13 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1krw h SER 14 N 0.00 -1.18 0.40 -3.46 0.02 -2.00 0.27 113.55 107.60 1krw h SER 14 Ca 0.00 0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 1krw h SER 14 Cb 0.00 0.43 -0.00 0.00 0.14 0.00 0.00 62.40 62.96 1krw h SER 14 CO 0.00 -0.51 -0.12 0.40 -1.14 0.00 0.00 176.83 175.46 1krw h ILE 15 N -0.72 0.53 0.37 3.27 1.08 -1.03 -2.81 117.51 118.21 1krw h ILE 15 Ca -0.00 -0.54 -0.02 0.00 -0.39 0.00 0.00 64.86 63.91 1krw h ILE 15 Cb 0.70 1.36 0.00 0.00 -3.07 0.00 0.00 36.82 35.81 1krw h ILE 15 CO -0.17 0.11 -0.18 -0.09 -0.69 0.00 0.00 178.15 177.13 1krw h ARG 16 N 0.00 -0.48 -0.89 2.37 2.43 -1.08 -2.84 114.38 113.89 1krw h ARG 16 Ca -0.00 0.03 0.13 0.00 -0.81 0.00 0.00 59.98 59.34 1krw h ARG 16 Cb 0.35 0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 29.94 1krw h ARG 16 CO 0.02 -0.22 0.57 2.35 -1.51 0.00 0.00 179.97 181.18 1krw h TRP 17 N -1.05 0.84 -0.15 2.20 7.01 -0.45 0.58 115.95 124.92 1krw h TRP 17 Ca -0.05 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 60.94 1krw h TRP 17 Cb 0.48 -0.27 -0.00 0.00 -2.10 0.00 0.00 29.16 27.27 1krw h TRP 17 CO 0.02 0.32 -0.05 0.28 -2.79 0.00 0.00 178.44 176.22 1krw h VAL 18 N 0.72 1.30 0.00 2.65 2.07 -1.57 -3.02 116.25 118.40 1krw h VAL 18 Ca 0.44 -1.04 -0.19 0.00 0.82 0.00 0.00 66.70 66.73 1krw h VAL 18 Cb 0.66 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 32.08 1krw h VAL 18 CO -0.20 0.31 -1.09 0.25 0.02 0.00 0.00 177.57 176.86 1krw h LEU 19 N -0.02 0.00 0.66 2.57 7.12 -1.21 -3.08 115.31 121.36 1krw h LEU 19 Ca 0.04 0.00 -0.03 0.00 0.13 0.00 0.00 57.88 58.01 1krw h LEU 19 Cb 0.50 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.64 1krw h LEU 19 CO 0.02 0.76 -0.32 1.05 -0.13 0.00 0.00 178.44 179.82 1krw h GLU 20 N 0.00 -0.85 -0.13 1.25 4.11 0.08 -1.66 114.58 117.37 1krw h GLU 20 Ca -0.10 0.06 -0.03 0.00 0.07 0.00 0.00 59.36 59.37 1krw h GLU 20 Cb 1.67 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 31.11 1krw h GLU 20 CO 0.08 -0.56 -0.02 0.00 0.07 0.00 0.00 179.01 178.58 1krw h ARG 21 N -1.22 0.24 0.29 1.06 2.47 -1.71 0.10 114.38 115.61 1krw h ARG 21 Ca -0.09 -0.09 -0.00 0.00 -1.26 0.00 0.00 59.98 58.54 1krw h ARG 21 Cb 0.69 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.98 1krw h ARG 21 CO 0.15 0.52 -0.24 0.00 0.56 0.00 0.00 179.97 180.95 1krw h ALA 22 N 0.72 -0.54 0.00 0.04 0.00 -1.66 0.99 119.26 118.81 1krw h ALA 22 Ca 0.03 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1krw h ALA 22 Cb 0.42 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1krw h ALA 22 CO 0.01 -0.83 -0.13 1.25 0.00 0.00 0.00 179.25 179.55 1krw h LEU 23 N -0.55 0.00 -0.67 0.00 5.85 -1.36 -1.84 115.31 116.75 1krw h LEU 23 Ca -0.02 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.57 1krw h LEU 23 Cb 0.49 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1krw h LEU 23 CO -0.02 0.13 -0.38 0.00 -0.34 0.00 0.00 178.44 177.84 1krw h ALA 24 N 1.87 0.84 0.00 1.25 0.00 0.23 -2.13 119.26 121.31 1krw h ALA 24 Ca -0.00 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 1krw h ALA 24 Cb 0.49 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1krw h ALA 24 CO 0.02 0.64 -0.08 0.78 0.00 0.00 0.00 179.25 180.61 1krw h GLY 25 N 1.02 0.00 2.00 0.00 0.00 0.04 0.04 103.07 106.17 1krw h GLY 25 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1krw h GLY 25 CO 0.08 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.62 1krw h ALA 26 N 1.92 1.00 0.00 3.60 0.00 -1.32 -3.47 119.26 120.99 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 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 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 0.86 1.64 3.47 0.00 0.00 0.00 -5.12 105.19 106.05 1krw n GLY 27 Ca 0.04 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 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 2.25 -0.50 0.99 1.02 -1.17 -4.96 118.68 116.31 1krw s LEU 28 Ca 0.00 -1.39 -0.18 0.00 0.02 0.00 0.00 54.13 52.58 1krw s LEU 28 Cb 0.00 -0.43 0.06 0.00 0.02 0.00 0.00 46.19 45.84 1krw s LEU 28 CO 0.00 -0.61 0.57 -0.89 0.02 0.00 0.00 176.35 175.45 1krw s THR 29 N -3.23 4.95 -0.32 5.49 2.01 -0.91 -4.22 115.64 119.41 1krw s THR 29 Ca 0.36 -0.61 -0.09 0.00 0.31 0.00 0.00 61.69 61.66 1krw s THR 29 Cb 0.09 -4.26 0.01 0.00 0.01 0.00 0.00 72.50 68.35 1krw s THR 29 CO 0.16 -0.75 0.14 0.00 -0.69 0.00 0.00 174.62 173.47 1krw s THR 31 N 1.53 2.86 0.18 0.00 -1.32 -0.84 -4.55 115.64 113.51 1krw s THR 31 Ca 0.03 -1.96 0.07 0.00 -1.21 0.00 0.00 61.69 58.62 1krw s THR 31 Cb -0.18 -2.44 -0.04 0.00 -1.51 0.00 0.00 72.50 68.32 1krw s THR 31 CO 0.05 -0.22 -0.15 0.42 -2.21 0.00 0.00 174.62 172.51 1krw s THR 32 N -1.96 1.66 0.38 5.08 -4.23 -1.25 0.58 115.64 115.89 1krw s THR 32 Ca 0.26 -2.08 0.04 0.00 -1.18 0.00 0.00 61.69 58.72 1krw s THR 32 Cb -0.07 -1.93 -0.04 0.00 1.34 0.00 0.00 72.50 71.80 1krw s THR 32 CO 0.14 -0.53 0.09 -0.36 -0.54 0.00 0.00 174.62 173.42 1krw s PHE 33 N -2.72 1.87 0.27 3.99 0.40 0.03 -4.93 117.98 116.89 1krw s PHE 33 Ca 0.19 -1.11 -0.02 0.00 -0.60 0.00 0.00 56.93 55.39 1krw s PHE 33 Cb -0.02 -1.25 0.37 0.00 0.51 0.00 0.00 43.02 42.63 1krw s PHE 33 CO 0.06 -0.12 1.83 1.05 0.70 0.00 0.00 175.22 178.74 1krw h GLU 34 N 1.91 0.91 0.00 0.44 4.11 -1.90 -2.69 114.58 117.36 1krw h GLU 34 Ca -0.38 -0.17 0.00 0.00 0.07 0.00 0.00 59.36 58.88 1krw h GLU 34 Cb 1.26 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1krw h GLU 34 CO 0.64 0.78 0.00 0.27 0.07 0.00 0.00 179.01 180.77 1krw n ASN 35 N -4.29 0.00 0.00 3.06 0.23 -1.18 -4.04 115.26 109.04 1krw n ASN 35 Ca 0.05 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.10 1krw n ASN 35 Cb 0.20 0.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.91 1krw n ASN 35 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1krw n GLY 36 N -0.79 -0.03 0.25 4.83 0.00 -1.26 -4.31 105.19 103.87 1krw n GLY 36 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 0.00 0.14 1.61 -0.00 -1.96 -2.85 115.58 112.51 1krw h ASN 37 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.29 1krw h ASN 37 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.32 1krw h ASN 37 CO 0.00 0.06 -0.07 -0.08 -0.00 0.00 0.00 177.43 177.35 1krw h GLU 38 N 0.00 -0.18 -0.94 6.67 4.81 -1.97 -2.73 114.58 120.25 1krw h GLU 38 Ca -0.00 0.01 0.16 0.00 -0.13 0.00 0.00 59.36 59.40 1krw h GLU 38 Cb 0.11 0.04 -0.10 0.00 0.63 0.00 0.00 28.75 29.43 1krw h GLU 38 CO 0.01 -0.12 0.54 0.28 -0.73 0.00 0.00 179.01 178.99 1krw h VAL 39 N -0.18 0.76 -0.51 0.32 2.07 -1.89 -0.90 116.25 115.92 1krw h VAL 39 Ca -0.02 -0.26 0.07 0.00 0.82 0.00 0.00 66.70 67.32 1krw h VAL 39 Cb 0.14 -0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 29.79 1krw h VAL 39 CO 0.03 0.14 0.16 -0.07 0.02 0.00 0.00 177.57 177.85 1krw h LEU 40 N 0.75 0.14 -0.06 2.57 3.38 -1.52 1.40 115.31 121.98 1krw h LEU 40 Ca 0.51 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.54 1krw h LEU 40 Cb 0.70 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 1krw h LEU 40 CO -0.35 0.10 0.01 0.00 0.09 0.00 0.00 178.44 178.30 1krw h ALA 41 N 1.35 0.08 -0.16 1.53 0.00 -1.04 -2.74 119.26 118.27 1krw h ALA 41 Ca 0.25 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1krw h ALA 41 Cb 0.29 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1krw h ALA 41 CO -0.27 -0.29 -0.23 0.00 0.00 0.00 0.00 179.25 178.46 1krw h ALA 42 N 0.78 1.30 0.00 0.00 0.00 -0.96 -2.12 119.26 118.26 1krw h ALA 42 Ca 0.02 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1krw h ALA 42 Cb 0.26 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1krw h ALA 42 CO 0.00 0.47 -0.02 -0.07 0.00 0.00 0.00 179.25 179.63 1krw h LEU 43 N 0.27 0.00 -1.91 0.00 3.38 0.21 -1.43 115.31 115.83 1krw h LEU 43 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1krw h LEU 43 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1krw h LEU 43 CO 0.04 0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.59 1krw h ALA 44 N 1.98 1.00 0.00 1.53 0.00 -1.09 -2.45 119.26 120.23 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 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1krw h ALA 44 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.68 1krw n SER 45 N -2.58 0.64 -3.52 0.00 7.64 -0.58 -5.08 113.62 110.15 1krw n SER 45 Ca -0.02 -0.94 -0.10 0.00 1.01 0.00 0.00 58.87 58.82 1krw n SER 45 Cb 0.08 0.07 -0.02 0.00 -1.01 0.00 0.00 64.21 63.33 1krw n SER 45 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1krw s LYS 46 N -0.07 1.32 -0.10 1.43 2.20 -0.92 -5.15 119.74 118.44 1krw s LYS 46 Ca 0.00 -0.55 -0.03 0.00 -0.36 0.00 0.00 55.97 55.03 1krw s LYS 46 Cb 0.00 0.57 0.04 0.00 -1.51 0.00 0.00 37.83 36.93 1krw s LYS 46 CO 0.00 -0.58 0.05 0.99 -0.36 0.00 0.00 175.35 175.45 1krw s THR 47 N -3.70 0.07 0.47 3.43 2.01 -1.26 -4.02 115.64 112.65 1krw s THR 47 Ca 0.04 0.08 -0.21 0.00 0.31 0.00 0.00 61.69 61.91 1krw s THR 47 Cb -0.02 -0.45 -0.08 0.00 0.01 0.00 0.00 72.50 71.95 1krw s THR 47 CO -0.09 0.02 1.05 -2.16 -0.69 0.00 0.00 174.62 172.75 1krw s PRO 48 N 2.08 3.85 0.38 4.92 0.04 -1.26 -4.62 135.00 140.40 1krw s PRO 48 Ca 0.03 1.40 0.20 0.00 0.04 0.00 0.00 61.00 62.68 1krw s PRO 48 Cb -0.14 -2.17 0.64 0.00 0.04 0.00 0.00 34.50 32.86 1krw s PRO 48 CO -0.06 -0.39 1.71 -0.44 0.04 0.00 0.00 177.00 177.85 1krw h ASP 49 N 1.72 0.00 -2.15 6.66 5.19 -0.46 -3.41 116.42 123.97 1krw h ASP 49 Ca -0.49 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 55.61 1krw h ASP 49 Cb 1.22 0.00 -0.33 0.00 0.18 0.00 0.00 39.33 40.40 1krw h ASP 49 CO 0.60 0.34 -0.62 0.54 -3.12 0.00 0.00 179.24 176.97 1krw s VAL 50 N -3.48 -0.42 0.01 -1.35 0.11 -1.13 -4.82 120.40 109.32 1krw s VAL 50 Ca 0.01 -0.41 -0.22 0.00 -2.93 0.00 0.00 61.98 58.43 1krw s VAL 50 Cb 0.10 -0.94 -0.05 0.00 -1.53 0.00 0.00 36.38 33.95 1krw s VAL 50 CO 0.68 -0.40 0.67 -0.22 -3.33 0.00 0.00 175.10 172.49 1krw s LEU 51 N 2.38 4.42 -0.15 2.54 2.96 -0.44 -2.08 118.68 128.31 1krw s LEU 51 Ca 0.09 1.27 0.01 0.00 -0.22 0.00 0.00 54.13 55.29 1krw s LEU 51 Cb -0.14 -3.05 0.02 0.00 0.50 0.00 0.00 46.19 43.51 1krw s LEU 51 CO -0.29 0.05 -0.19 -0.22 -1.32 0.00 0.00 176.35 174.38 1krw s LEU 52 N -0.07 1.97 -0.12 -0.68 0.20 0.19 0.56 118.68 120.73 1krw s LEU 52 Ca 0.34 -0.57 0.02 0.00 0.69 0.00 0.00 54.13 54.62 1krw s LEU 52 Cb -0.19 -1.35 0.01 0.00 -0.43 0.00 0.00 46.19 44.24 1krw s LEU 52 CO 0.19 0.02 -0.17 -0.44 -0.29 0.00 0.00 176.35 175.66 1krw s SER 53 N 1.12 2.64 -0.54 3.68 0.01 0.30 0.12 113.70 121.03 1krw s SER 53 Ca -0.01 -0.48 -0.26 0.00 1.31 0.00 0.00 55.95 56.51 1krw s SER 53 Cb -0.14 -1.20 0.03 0.00 0.21 0.00 0.00 66.02 64.93 1krw s SER 53 CO -0.07 0.04 1.05 -1.81 0.41 0.00 0.00 173.24 172.86 1krw s ASP 54 N 0.91 6.44 -0.19 2.44 1.11 -0.34 -2.81 116.67 124.23 1krw s ASP 54 Ca -0.07 -0.02 -0.29 0.00 0.18 0.00 0.00 52.55 52.35 1krw s ASP 54 Cb -0.15 -2.49 -0.03 0.00 1.07 0.00 0.00 42.92 41.32 1krw s ASP 54 CO -0.01 -1.29 1.57 -0.51 1.18 0.00 0.00 175.17 176.11 1krw s ILE 55 N 4.33 3.75 -0.44 0.77 2.07 -1.26 -4.87 121.20 125.55 1krw s ILE 55 Ca 0.38 0.87 0.07 0.00 -1.41 0.00 0.00 60.65 60.56 1krw s ILE 55 Cb -0.10 -3.71 0.34 0.00 0.13 0.00 0.00 42.46 39.12 1krw s ILE 55 CO 0.24 -0.24 1.13 -1.14 -1.91 0.00 0.00 174.94 173.02 1krw n ARG 56 N 7.44 1.05 -4.09 3.50 0.00 -1.21 -4.73 116.66 118.61 1krw n ARG 56 Ca 0.18 -2.04 -0.30 0.00 -0.00 0.00 0.00 57.85 55.69 1krw n ARG 56 Cb 0.45 -0.91 -0.03 0.00 0.00 0.00 0.00 32.46 31.96 1krw n ARG 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1krw n MET 57 N 0.18 -3.08 0.00 -0.14 0.00 -0.11 -4.89 117.12 109.08 1krw n MET 57 Ca 0.06 0.37 0.00 0.00 0.00 0.00 0.00 57.70 58.13 1krw n MET 57 Cb 0.72 -4.67 0.00 0.00 0.00 0.00 0.00 33.22 29.27 1krw n MET 57 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1krw n PRO 58 N -4.42 0.00 -0.04 3.17 -0.04 -1.26 -4.64 135.00 127.77 1krw n PRO 58 Ca -0.16 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.29 1krw n PRO 58 Cb 0.61 -0.66 -0.12 0.00 -0.04 0.00 0.00 33.50 33.30 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 1.07 -0.71 2.74 0.55 0.00 -1.26 -4.83 105.19 102.75 1krw n GLY 59 Ca 0.00 -0.30 -0.07 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.32 0.68 0.00 1.61 0.00 -1.26 -4.92 117.12 110.91 1krw n MET 60 Ca -0.14 -1.68 0.00 0.00 -0.00 0.00 0.00 57.70 55.87 1krw n MET 60 Cb 0.72 -1.35 0.00 0.00 0.00 0.00 0.00 33.22 32.60 1krw n MET 60 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1krw n ASP 61 N 1.86 0.00 0.00 6.12 9.92 -1.26 -2.39 116.55 130.80 1krw n ASP 61 Ca 0.10 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.36 1krw n ASP 61 Cb 0.63 -0.11 0.00 0.00 -0.64 0.00 0.00 41.12 40.99 1krw n ASP 61 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1krw n GLY 62 N -0.62 1.28 0.09 0.44 0.00 -1.26 -0.93 105.19 104.18 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 1.04 0.00 0.00 0.00 173.32 174.36 1krw n LEU 63 N 0.00 0.66 -0.24 0.99 4.32 -1.00 -3.52 117.00 118.21 1krw n LEU 63 Ca 0.00 0.58 0.02 0.00 -0.02 0.00 0.00 56.01 56.59 1krw n LEU 63 Cb 0.00 -0.39 0.14 0.00 -1.62 0.00 0.00 43.42 41.55 1krw n LEU 63 CO 0.00 -0.22 1.04 0.00 -1.22 0.00 0.00 177.39 176.99 1krw h ALA 64 N 2.55 0.95 -0.39 -1.18 0.00 -1.88 0.04 119.26 119.34 1krw h ALA 64 Ca 0.00 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.04 1krw h ALA 64 Cb 0.64 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1krw h ALA 64 CO 0.00 -0.12 0.27 1.37 0.00 0.00 0.00 179.25 180.77 1krw h LEU 65 N 0.52 0.25 -0.41 0.00 8.10 -1.90 -1.64 115.31 120.24 1krw h LEU 65 Ca 0.35 -0.00 -0.02 0.00 0.11 0.00 0.00 57.88 58.32 1krw h LEU 65 Cb 0.42 -0.05 -0.02 0.00 -0.44 0.00 0.00 40.66 40.57 1krw h LEU 65 CO -0.30 0.17 0.18 -0.07 -4.11 0.00 0.00 178.44 174.30 1krw h LEU 66 N 0.29 0.56 -0.63 0.17 4.07 -1.19 -1.24 115.31 117.34 1krw h LEU 66 Ca 0.17 -0.15 0.07 0.00 0.08 0.00 0.00 57.88 58.04 1krw h LEU 66 Cb 0.31 -0.14 -0.06 0.00 1.08 0.00 0.00 40.66 41.85 1krw h LEU 66 CO -0.04 0.56 0.32 0.50 -1.08 0.00 0.00 178.44 178.71 1krw h LYS 67 N 0.52 0.58 -0.61 1.13 3.64 -1.13 -1.26 116.57 119.45 1krw h LYS 67 Ca 0.14 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.39 1krw h LYS 67 Cb 0.16 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1krw h LYS 67 CO -0.01 0.38 -0.01 1.96 -2.27 0.00 0.00 179.45 179.50 1krw h GLN 68 N 0.60 1.08 -0.18 1.90 4.20 -1.29 -2.49 115.11 118.92 1krw h GLN 68 Ca 0.29 -0.35 -0.06 0.00 0.06 0.00 0.00 58.65 58.59 1krw h GLN 68 Cb 0.23 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1krw h GLN 68 CO -0.21 1.06 -0.15 0.82 -0.67 0.00 0.00 178.83 179.68 1krw h ILE 69 N 0.98 1.20 0.00 2.54 2.04 -0.56 -2.50 117.51 121.21 1krw h ILE 69 Ca 0.17 -0.91 -0.15 0.00 1.00 0.00 0.00 64.86 64.97 1krw h ILE 69 Cb 0.57 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 1krw h ILE 69 CO 0.03 0.28 -0.73 0.07 0.00 0.00 0.00 178.15 177.81 1krw h LYS 70 N 0.28 0.00 -0.41 2.37 2.10 -1.08 0.31 116.57 120.14 1krw h LYS 70 Ca 0.05 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.66 1krw h LYS 70 Cb 0.44 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.76 1krw h LYS 70 CO 0.03 0.73 0.07 1.96 -2.00 0.00 0.00 179.45 180.23 1krw h GLN 71 N 0.00 0.68 0.00 0.07 4.20 -1.01 -1.98 115.11 117.07 1krw h GLN 71 Ca -0.01 -0.18 -0.08 0.00 0.06 0.00 0.00 58.65 58.44 1krw h GLN 71 Cb 1.37 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 29.06 1krw h GLN 71 CO 0.09 0.72 -1.00 0.00 -0.67 0.00 0.00 178.83 177.98 1krw h ARG 72 N 0.53 0.00 -2.37 1.46 3.08 -1.51 -3.42 114.38 112.14 1krw h ARG 72 Ca 0.12 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.69 1krw h ARG 72 Cb 0.37 0.00 -0.36 0.00 0.08 0.00 0.00 29.97 30.06 1krw h ARG 72 CO 0.01 0.19 -0.77 -1.01 -1.07 0.00 0.00 179.97 177.32 1krw s HIS 73 N -3.11 0.21 -2.00 3.04 3.76 0.11 -4.99 115.29 112.31 1krw s HIS 73 Ca -0.00 -1.11 0.03 0.00 -0.15 0.00 0.00 55.06 53.83 1krw s HIS 73 Cb 0.08 -0.70 0.18 0.00 1.11 0.00 0.00 32.58 33.26 1krw s HIS 73 CO 0.78 -0.88 0.51 -2.30 -0.85 0.00 0.00 174.74 171.99 1krw n PRO 74 N 4.41 0.24 -0.20 8.40 -0.02 -0.76 -2.02 135.00 145.06 1krw n PRO 74 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1krw n PRO 74 Cb 0.41 -1.19 0.00 0.00 -0.02 0.00 0.00 33.50 32.70 1krw n PRO 74 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1krw n MET 75 N -0.69 0.00 -2.39 -0.52 2.81 -0.86 -4.29 117.12 111.17 1krw n MET 75 Ca 0.02 -0.59 -0.43 0.00 -1.81 0.00 0.00 57.70 54.90 1krw n MET 75 Cb 0.01 -0.42 -0.02 0.00 -0.71 0.00 0.00 33.22 32.08 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 0.00 3.77 -0.15 4.03 1.98 -0.85 -4.81 118.68 122.64 1krw s LEU 76 Ca 0.00 1.05 -0.29 0.00 -2.89 0.00 0.00 54.13 52.00 1krw s LEU 76 Cb 0.00 -3.54 -0.04 0.00 0.66 0.00 0.00 46.19 43.27 1krw s LEU 76 CO 0.00 -1.22 1.69 -2.16 -1.89 0.00 0.00 176.35 172.77 1krw s PRO 77 N 4.47 3.90 -0.07 0.98 0.04 -1.20 -4.50 135.00 138.62 1krw s PRO 77 Ca 0.58 1.93 0.03 0.00 0.04 0.00 0.00 61.00 63.58 1krw s PRO 77 Cb -0.15 -4.05 -0.02 0.00 0.04 0.00 0.00 34.50 30.32 1krw s PRO 77 CO 0.27 -1.18 -0.16 0.08 0.04 0.00 0.00 177.00 176.06 1krw s VAL 78 N 4.98 2.90 -0.26 -0.36 1.01 -1.25 -1.32 120.40 126.09 1krw s VAL 78 Ca 0.75 -0.76 -0.05 0.00 0.00 0.00 0.00 61.98 61.92 1krw s VAL 78 Cb -0.29 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 33.94 1krw s VAL 78 CO 0.30 0.57 0.02 -0.63 0.00 0.00 0.00 175.10 175.36 1krw s ILE 79 N -0.36 3.64 -0.15 2.22 1.01 0.19 0.50 121.20 128.26 1krw s ILE 79 Ca 0.03 -0.67 -0.10 0.00 0.00 0.00 0.00 60.65 59.91 1krw s ILE 79 Cb -0.12 -2.81 -0.05 0.00 0.01 0.00 0.00 42.46 39.49 1krw s ILE 79 CO 0.02 0.20 0.19 -0.63 0.00 0.00 0.00 174.94 174.72 1krw s ILE 80 N 1.47 5.40 0.08 2.92 1.09 -1.14 0.11 121.20 131.12 1krw s ILE 80 Ca 0.03 0.31 0.20 0.00 -1.10 0.00 0.00 60.65 60.10 1krw s ILE 80 Cb -0.16 -3.49 0.16 0.00 -1.06 0.00 0.00 42.46 37.91 1krw s ILE 80 CO -0.00 0.50 1.71 0.00 -0.10 0.00 0.00 174.94 177.05 1krw h MET 81 N 5.93 0.00 -3.74 2.79 -0.00 -1.86 -2.65 114.93 115.41 1krw h MET 81 Ca -0.47 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.15 1krw h MET 81 Cb 1.19 0.00 -0.14 0.00 -0.00 0.00 0.00 31.60 32.64 1krw h MET 81 CO 0.69 0.34 -0.35 0.99 -0.00 0.00 0.00 176.91 178.57 1krw s THR 82 N -3.49 0.13 -0.41 -0.10 2.01 -1.25 -3.93 115.64 108.61 1krw s THR 82 Ca 0.01 -1.10 0.08 0.00 0.31 0.00 0.00 61.69 61.00 1krw s THR 82 Cb 0.10 -1.27 0.26 0.00 0.01 0.00 0.00 72.50 71.61 1krw s THR 82 CO 0.68 -0.61 0.57 0.00 -0.69 0.00 0.00 174.62 174.57 1krw n ALA 83 N 0.04 2.55 -1.00 7.40 0.00 -1.23 -4.71 120.51 123.56 1krw n ALA 83 Ca -0.16 -3.54 0.00 0.00 0.00 0.00 0.00 53.44 49.75 1krw n ALA 83 Cb 0.62 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.24 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 1.19 0.00 -2.53 0.00 1.44 -1.26 -4.75 115.22 109.31 1krw n HIS 84 Ca 0.22 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.50 1krw n HIS 84 Cb 0.53 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.64 1krw n HIS 84 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 1krw n SER 85 N 0.00 4.87 0.00 4.39 3.41 -1.26 -3.87 113.62 121.16 1krw n SER 85 Ca 0.00 -2.92 0.00 0.00 -0.26 0.00 0.00 58.87 55.69 1krw n SER 85 Cb 0.00 -1.73 0.00 0.00 -0.26 0.00 0.00 64.21 62.22 1krw n SER 85 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1krw n ASP 86 N 8.10 0.00 0.29 4.04 2.03 -1.26 -5.00 116.55 124.75 1krw n ASP 86 Ca 0.49 0.00 0.17 0.00 0.52 0.00 0.00 54.79 55.97 1krw n ASP 86 Cb 0.45 0.00 0.85 0.00 -0.72 0.00 0.00 41.12 41.70 1krw n ASP 86 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1krw h LEU 87 N 0.00 0.00 -0.47 -2.67 -0.00 -1.87 -2.81 115.31 107.49 1krw h LEU 87 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.88 57.97 1krw h LEU 87 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 40.66 40.56 1krw h LEU 87 CO 0.00 0.00 -0.34 0.44 -0.00 0.00 0.00 178.44 178.54 1krw h ASP 88 N 0.00 -1.13 0.85 -0.43 3.32 -1.94 0.54 116.42 117.63 1krw h ASP 88 Ca 0.04 0.21 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 1krw h ASP 88 Cb 0.66 0.54 -0.00 0.00 0.22 0.00 0.00 39.33 40.75 1krw h ASP 88 CO -0.00 -0.32 -0.11 0.00 -1.72 0.00 0.00 179.24 177.09 1krw h ALA 89 N 0.83 1.05 -0.04 3.45 0.00 -1.87 -2.76 119.26 119.92 1krw h ALA 89 Ca 0.19 -0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.80 1krw h ALA 89 Cb 0.54 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.33 1krw h ALA 89 CO -0.59 0.14 -0.76 0.00 0.00 0.00 0.00 179.25 178.04 1krw h ALA 90 N 1.89 0.14 0.25 0.00 0.00 -0.48 -2.42 119.26 118.64 1krw h ALA 90 Ca -0.00 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 1krw h ALA 90 Cb 0.57 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1krw h ALA 90 CO 0.01 0.51 -0.12 0.28 0.00 0.00 0.00 179.25 179.94 1krw h VAL 91 N 0.19 0.79 -0.53 0.00 2.07 0.05 -2.39 116.25 116.44 1krw h VAL 91 Ca -0.08 -0.25 0.07 0.00 0.82 0.00 0.00 66.70 67.26 1krw h VAL 91 Cb 1.43 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 1krw h VAL 91 CO 0.15 0.06 0.35 0.77 0.02 0.00 0.00 177.57 178.92 1krw h SER 92 N -0.46 0.37 -1.01 0.57 4.64 -1.60 -0.91 113.55 115.16 1krw h SER 92 Ca -0.03 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.35 1krw h SER 92 Cb 0.35 -0.08 -0.07 0.00 -0.31 0.00 0.00 62.40 62.30 1krw h SER 92 CO 0.06 0.24 0.65 0.00 -0.87 0.00 0.00 176.83 176.91 1krw h ALA 93 N 1.72 1.39 0.00 5.18 0.00 -0.93 0.12 119.26 126.74 1krw h ALA 93 Ca 0.23 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1krw h ALA 93 Cb 0.38 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1krw h ALA 93 CO -0.06 0.47 -0.00 1.88 0.00 0.00 0.00 179.25 181.53 1krw h TYR 94 N 1.20 0.00 -0.07 0.00 0.05 -0.81 0.16 116.97 117.50 1krw h TYR 94 Ca 0.43 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 59.06 1krw h TYR 94 Cb 0.14 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.88 1krw h TYR 94 CO -0.00 0.00 -0.52 -0.56 -1.05 0.00 0.00 178.16 176.03 1krw h GLN 95 N 0.00 0.48 0.00 4.88 3.07 -0.79 -3.19 115.11 119.57 1krw h GLN 95 Ca -0.00 -0.42 0.00 0.00 0.09 0.00 0.00 58.65 58.32 1krw h GLN 95 Cb 0.04 0.10 0.00 0.00 0.08 0.00 0.00 27.48 27.69 1krw h GLN 95 CO 0.00 1.06 -0.02 0.00 0.09 0.00 0.00 178.83 179.96 1krw n GLN 96 N -4.24 0.13 0.00 0.06 0.00 -0.58 -4.89 117.38 107.86 1krw n GLN 96 Ca -0.09 0.11 0.00 0.00 0.00 0.00 0.00 57.00 57.02 1krw n GLN 96 Cb 0.61 -1.65 0.00 0.00 0.00 0.00 0.00 30.24 29.20 1krw n GLN 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1krw n GLY 97 N 1.40 1.16 3.76 2.61 0.00 -0.37 -2.03 105.19 111.73 1krw n GLY 97 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 1krw n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1krw s ALA 98 N -2.00 2.86 -0.04 4.61 0.00 0.43 -3.22 121.76 124.41 1krw s ALA 98 Ca 0.00 1.23 -0.22 0.00 0.00 0.00 0.00 51.96 52.97 1krw s ALA 98 Cb 0.00 -3.52 -0.16 0.00 0.00 0.00 0.00 23.12 19.44 1krw s ALA 98 CO 0.00 -1.19 0.94 0.35 0.00 0.00 0.00 175.76 175.87 1krw h PHE 99 N 1.62 -0.23 0.00 0.00 3.57 -0.22 -3.44 116.94 118.24 1krw h PHE 99 Ca -0.50 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 60.99 1krw h PHE 99 Cb 1.29 0.08 0.00 0.00 2.79 0.00 0.00 35.95 40.10 1krw h PHE 99 CO 0.48 0.19 0.00 -0.40 -2.23 0.00 0.00 178.31 176.35 1krw n ASP 100 N -4.96 0.00 -3.88 0.41 5.68 -1.16 -4.98 116.55 107.67 1krw n ASP 100 Ca -0.08 0.00 -0.11 0.00 -0.50 0.00 0.00 54.79 54.10 1krw n ASP 100 Cb 0.26 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.13 1krw n ASP 100 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 1krw s TYR 101 N -3.00 0.02 -0.27 2.11 1.51 -1.26 -2.89 117.35 113.57 1krw s TYR 101 Ca 0.00 -0.03 -0.10 0.00 -1.01 0.00 0.00 57.07 55.93 1krw s TYR 101 Cb 0.00 -0.04 -0.04 0.00 -0.11 0.00 0.00 41.96 41.77 1krw s TYR 101 CO 0.00 -0.18 0.15 -0.51 -1.11 0.00 0.00 175.55 173.90 1krw s LEU 102 N -0.82 3.83 0.03 -1.29 1.02 -1.00 -4.99 118.68 115.47 1krw s LEU 102 Ca -0.09 -0.10 -0.14 0.00 0.02 0.00 0.00 54.13 53.82 1krw s LEU 102 Cb -0.05 -2.05 -0.07 0.00 0.02 0.00 0.00 46.19 44.03 1krw s LEU 102 CO 0.01 -0.05 1.21 -0.65 0.02 0.00 0.00 176.35 176.88 1krw h PRO 103 N 8.33 -0.46 0.00 1.29 0.11 -1.93 -3.25 132.00 136.09 1krw h PRO 103 Ca -0.36 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1krw h PRO 103 Cb 1.18 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1krw h PRO 103 CO 0.56 -0.30 0.00 1.63 -0.21 0.00 0.00 178.00 179.68 1krw n LYS 104 N -3.41 0.00 -0.79 1.05 5.02 -1.26 -4.59 118.16 114.18 1krw n LYS 104 Ca -0.06 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.91 1krw n LYS 104 Cb 0.19 -0.36 0.14 0.00 -0.02 0.00 0.00 35.03 34.99 1krw n LYS 104 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1krw n PRO 105 N -3.43 -0.30 0.00 1.97 -0.04 -1.26 -4.94 135.00 126.99 1krw n PRO 105 Ca 0.00 -0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1krw n PRO 105 Cb 0.00 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 1krw n PRO 105 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1krw n PHE 106 N -3.85 0.00 -0.33 0.54 7.35 -1.26 -4.82 117.46 115.08 1krw n PHE 106 Ca 0.10 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.82 1krw n PHE 106 Cb 0.52 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.35 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 -1.15 -0.13 -2.13 5.68 -1.26 -1.71 116.55 115.86 1krw n ASP 107 Ca 0.00 0.17 -0.12 0.00 -0.50 0.00 0.00 54.79 54.35 1krw n ASP 107 Cb 0.00 -0.80 -0.02 0.00 -1.14 0.00 0.00 41.12 39.15 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 -0.21 2.12 5.03 -1.99 -0.10 117.51 123.50 1krw h ILE 108 Ca 0.00 -1.24 0.05 0.00 -0.12 0.00 0.00 64.86 63.55 1krw h ILE 108 Cb 0.14 1.31 -0.07 0.00 -3.03 0.00 0.00 36.82 35.17 1krw h ILE 108 CO 0.00 0.41 -0.44 0.44 -0.68 0.00 0.00 178.15 177.88 1krw h ASP 109 N 0.54 -1.41 0.67 1.72 5.19 -1.98 1.01 116.42 122.16 1krw h ASP 109 Ca 0.09 0.19 -0.20 0.00 -0.62 0.00 0.00 57.03 56.49 1krw h ASP 109 Cb 0.67 0.58 -0.01 0.00 0.18 0.00 0.00 39.33 40.75 1krw h ASP 109 CO 0.05 -0.42 -0.92 -0.33 -3.12 0.00 0.00 179.24 174.49 1krw h GLU 110 N -0.46 0.15 0.51 3.56 4.39 -1.38 -1.85 114.58 119.50 1krw h GLU 110 Ca 0.09 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 1krw h GLU 110 Cb 0.62 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1krw h GLU 110 CO -0.45 0.97 -0.24 0.00 -1.16 0.00 0.00 179.01 178.12 1krw h ALA 111 N 0.96 -0.85 -0.26 3.43 0.00 -0.50 -0.69 119.26 121.35 1krw h ALA 111 Ca -0.04 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.78 1krw h ALA 111 Cb 1.58 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 1krw h ALA 111 CO 0.14 -0.80 0.19 0.28 0.00 0.00 0.00 179.25 179.05 1krw h VAL 112 N -0.92 0.89 -0.22 0.00 2.07 0.93 -0.06 116.25 118.93 1krw h VAL 112 Ca -0.07 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 1krw h VAL 112 Cb 0.52 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1krw h VAL 112 CO 0.11 0.01 0.07 0.00 0.02 0.00 0.00 177.57 177.78 1krw h ALA 113 N 1.87 0.29 0.00 1.67 0.00 -1.25 -1.35 119.26 120.49 1krw h ALA 113 Ca 0.12 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1krw h ALA 113 Cb 0.44 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1krw h ALA 113 CO -0.01 -0.08 -0.15 1.25 0.00 0.00 0.00 179.25 180.26 1krw h LEU 114 N 0.20 0.00 0.01 0.00 5.85 0.16 -2.59 115.31 118.93 1krw h LEU 114 Ca 0.07 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1krw h LEU 114 Cb 0.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.26 1krw h LEU 114 CO -0.00 0.15 -0.06 1.62 -0.34 0.00 0.00 178.44 179.81 1krw h VAL 115 N 0.00 1.76 0.35 1.05 3.04 -0.73 -2.92 116.25 118.79 1krw h VAL 115 Ca -0.00 -2.31 -0.02 0.00 -1.01 0.00 0.00 66.70 63.36 1krw h VAL 115 Cb 0.75 3.33 0.00 0.00 -2.01 0.00 0.00 31.29 33.36 1krw h VAL 115 CO 0.02 0.61 -0.17 -0.33 -1.01 0.00 0.00 177.57 176.69 1krw h GLU 116 N -0.93 -0.45 -0.18 4.17 5.08 -1.31 -2.13 114.58 118.83 1krw h GLU 116 Ca -0.01 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.43 1krw h GLU 116 Cb 1.03 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 1krw h GLU 116 CO 0.01 -0.16 0.18 0.00 -1.00 0.00 0.00 179.01 178.04 1krw h ARG 117 N -0.75 0.00 -0.02 2.33 3.08 -1.64 -1.52 114.38 115.87 1krw h ARG 117 Ca -0.05 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1krw h ARG 117 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1krw h ARG 117 CO 0.08 0.00 -0.08 0.00 -1.07 0.00 0.00 179.97 178.90 1krw h ALA 118 N 1.81 0.03 -0.07 0.04 0.00 -1.30 -1.19 119.26 118.58 1krw h ALA 118 Ca 0.09 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1krw h ALA 118 Cb 0.44 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1krw h ALA 118 CO -0.00 -0.08 -0.14 0.82 0.00 0.00 0.00 179.25 179.85 1krw h ILE 119 N -0.54 1.14 -0.02 0.00 2.04 -0.72 0.18 117.51 119.59 1krw h ILE 119 Ca -0.00 -0.63 -0.02 0.00 1.00 0.00 0.00 64.86 65.20 1krw h ILE 119 Cb 0.74 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 38.06 1krw h ILE 119 CO 0.02 0.19 -0.08 -1.28 0.00 0.00 0.00 178.15 176.99 1krw h SER 120 N 0.10 0.10 0.95 1.72 0.87 -1.31 -2.98 113.55 113.00 1krw h SER 120 Ca 0.02 -0.65 -0.04 0.00 -1.23 0.00 0.00 61.79 59.89 1krw h SER 120 Cb 0.31 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 1krw h SER 120 CO 0.02 0.74 -0.19 0.45 -0.53 0.00 0.00 176.83 177.32 1krw h HIS 121 N -0.52 0.00 -0.15 2.24 3.86 -0.99 -3.14 115.15 116.45 1krw h HIS 121 Ca -0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.16 1krw h HIS 121 Cb 0.73 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.20 1krw h HIS 121 CO 0.15 0.19 -0.08 -0.92 0.86 0.00 0.00 177.93 178.13 1krw h TYR 122 N 0.00 0.37 -2.60 2.45 3.20 -0.66 -3.45 116.97 116.28 1krw h TYR 122 Ca -0.00 -0.09 -0.18 0.00 3.14 0.00 0.00 58.73 61.59 1krw h TYR 122 Cb 0.72 -0.08 0.08 0.00 1.54 0.00 0.00 36.73 38.99 1krw h TYR 122 CO 0.00 0.65 0.13 0.00 -1.64 0.00 0.00 178.16 177.30 1krw n GLN 123 N -4.63 -1.17 0.00 1.82 10.64 -1.13 -5.09 117.38 117.82 1krw n GLN 123 Ca -0.06 -0.85 0.14 0.00 -1.83 0.00 0.00 57.00 54.40 1krw n GLN 123 Cb 0.31 -0.65 0.43 0.00 -0.86 0.00 0.00 30.24 29.46 1krw n GLN 123 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62