#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 1.84 0.56 0.03 -0.21 -1.26 -4.71 119.66 115.91 1krw s GLN 2 Ca 0.00 -1.00 0.37 0.00 0.02 0.00 0.00 55.36 54.75 1krw s GLN 2 Cb 0.00 -2.58 1.52 0.00 1.00 0.00 0.00 33.01 32.95 1krw s GLN 2 CO 0.00 -0.54 1.74 0.07 -2.12 0.00 0.00 175.29 174.43 1krw h ARG 3 N 7.93 0.00 -3.03 2.91 0.11 -2.05 -3.45 114.38 116.81 1krw h ARG 3 Ca -0.21 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.87 1krw h ARG 3 Cb 1.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.15 1krw h ARG 3 CO 0.44 0.00 -0.01 0.41 0.10 0.00 0.00 179.97 180.91 1krw n GLY 4 N -1.76 -2.32 3.24 0.08 0.00 -1.26 -4.68 105.19 98.49 1krw n GLY 4 Ca 0.26 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.26 3.28 -0.20 -0.61 1.09 -1.26 -0.84 121.20 122.40 1krw s ILE 5 Ca 0.00 -1.04 -0.05 0.00 -1.10 0.00 0.00 60.65 58.46 1krw s ILE 5 Cb -0.00 -2.75 -0.03 0.00 -1.06 0.00 0.00 42.46 38.63 1krw s ILE 5 CO 0.01 0.05 0.01 0.54 -0.10 0.00 0.00 174.94 175.46 1krw s VAL 6 N 1.36 4.09 -0.09 2.92 0.11 0.23 0.50 120.40 129.52 1krw s VAL 6 Ca -0.01 -0.27 0.02 0.00 -2.93 0.00 0.00 61.98 58.79 1krw s VAL 6 Cb -0.18 -2.85 -0.02 0.00 -1.53 0.00 0.00 36.38 31.80 1krw s VAL 6 CO -0.01 0.43 -0.14 0.26 -3.33 0.00 0.00 175.10 172.31 1krw s TRP 7 N 0.92 2.75 0.03 1.54 0.52 -0.84 -2.04 118.94 121.82 1krw s TRP 7 Ca 0.02 -0.46 0.08 0.00 0.02 0.00 0.00 56.10 55.76 1krw s TRP 7 Cb -0.14 -1.75 -0.03 0.00 -1.15 0.00 0.00 33.47 30.41 1krw s TRP 7 CO 0.02 -0.06 -0.23 0.08 0.02 0.00 0.00 176.95 176.78 1krw s VAL 8 N -0.10 1.89 -0.25 4.03 1.01 0.16 -0.71 120.40 126.44 1krw s VAL 8 Ca -0.02 -1.24 0.02 0.00 0.00 0.00 0.00 61.98 60.73 1krw s VAL 8 Cb -0.14 -1.62 0.06 0.00 0.00 0.00 0.00 36.38 34.68 1krw s VAL 8 CO 0.04 0.33 -0.07 -0.69 0.00 0.00 0.00 175.10 174.70 1krw s VAL 9 N -0.76 1.74 0.21 2.92 1.01 0.17 -0.50 120.40 125.20 1krw s VAL 9 Ca 0.10 -1.38 -0.13 0.00 0.00 0.00 0.00 61.98 60.56 1krw s VAL 9 Cb -0.09 -1.97 0.05 0.00 0.00 0.00 0.00 36.38 34.37 1krw s VAL 9 CO 0.01 -0.10 0.67 -0.67 0.00 0.00 0.00 175.10 175.02 1krw n ASP 10 N 4.59 -1.47 0.02 3.32 -0.08 -0.90 -1.29 116.55 120.73 1krw n ASP 10 Ca -0.12 -1.90 0.00 0.00 -1.51 0.00 0.00 54.79 51.26 1krw n ASP 10 Cb 0.43 2.42 0.01 0.00 2.34 0.00 0.00 41.12 46.32 1krw n ASP 10 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1krw n ASP 11 N -1.24 0.01 0.00 1.67 9.92 -1.25 -4.37 116.55 121.30 1krw n ASP 11 Ca -0.04 0.15 0.00 0.00 -0.53 0.00 0.00 54.79 54.37 1krw n ASP 11 Cb 0.43 -0.13 0.00 0.00 -0.64 0.00 0.00 41.12 40.78 1krw n ASP 11 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1krw n ASP 12 N -1.19 0.00 0.00 -2.24 -0.08 -1.25 -4.73 116.55 107.06 1krw n ASP 12 Ca -0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1krw n ASP 12 Cb 0.40 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.86 1krw n ASP 12 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1krw n SER 13 N 0.99 0.00 0.22 1.67 2.88 -1.26 -0.18 113.62 117.94 1krw n SER 13 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 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 -1.28 -1.23 0.00 0.00 175.04 172.53 1krw h SER 14 N 0.00 -1.01 0.38 -3.46 0.87 -1.99 0.15 113.55 108.50 1krw h SER 14 Ca 0.00 0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.62 1krw h SER 14 Cb 0.00 0.34 -0.00 0.00 -0.44 0.00 0.00 62.40 62.30 1krw h SER 14 CO 0.00 -0.51 -0.13 0.40 -0.53 0.00 0.00 176.83 176.06 1krw h ILE 15 N -0.75 0.59 0.01 2.23 1.08 -0.90 -2.66 117.51 117.11 1krw h ILE 15 Ca -0.02 -0.56 -0.00 0.00 -0.39 0.00 0.00 64.86 63.88 1krw h ILE 15 Cb 0.68 1.36 0.00 0.00 -3.07 0.00 0.00 36.82 35.79 1krw h ILE 15 CO -0.07 0.12 -0.00 -0.09 -0.69 0.00 0.00 178.15 177.42 1krw h ARG 16 N 0.00 -0.01 -0.67 2.37 2.43 -0.83 -2.66 114.38 115.01 1krw h ARG 16 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1krw h ARG 16 Cb 0.35 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 1krw h ARG 16 CO 0.02 0.60 0.43 2.35 -1.51 0.00 0.00 179.97 181.85 1krw h TRP 17 N -0.63 0.86 -0.12 2.20 7.01 -0.56 0.41 115.95 125.11 1krw h TRP 17 Ca -0.00 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 60.99 1krw h TRP 17 Cb 0.61 -0.29 -0.00 0.00 -2.10 0.00 0.00 29.16 27.38 1krw h TRP 17 CO 0.14 0.55 0.01 0.28 -2.79 0.00 0.00 178.44 176.63 1krw h VAL 18 N 0.91 1.24 0.00 2.65 2.07 -1.56 -2.97 116.25 118.59 1krw h VAL 18 Ca 0.24 -0.77 -0.20 0.00 0.82 0.00 0.00 66.70 66.79 1krw h VAL 18 Cb -0.08 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1krw h VAL 18 CO -0.05 0.22 -1.01 0.25 0.02 0.00 0.00 177.57 177.00 1krw h LEU 19 N -0.04 0.00 0.61 2.57 7.12 -1.41 -3.18 115.31 120.98 1krw h LEU 19 Ca 0.04 0.00 -0.03 0.00 0.13 0.00 0.00 57.88 58.02 1krw h LEU 19 Cb 0.34 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.47 1krw h LEU 19 CO 0.00 0.93 -0.29 1.05 -0.13 0.00 0.00 178.44 180.00 1krw h GLU 20 N 0.00 -0.79 0.08 1.25 4.11 -0.22 -1.56 114.58 117.45 1krw h GLU 20 Ca -0.04 0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.45 1krw h GLU 20 Cb 1.74 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 31.16 1krw h GLU 20 CO 0.12 -0.50 -0.07 0.00 0.07 0.00 0.00 179.01 178.62 1krw h ARG 21 N -1.18 -0.16 -0.46 1.06 2.47 -1.69 0.51 114.38 114.93 1krw h ARG 21 Ca -0.08 0.01 0.04 0.00 -1.26 0.00 0.00 59.98 58.68 1krw h ARG 21 Cb 0.65 0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 28.97 1krw h ARG 21 CO 0.14 -0.11 0.24 0.00 0.56 0.00 0.00 179.97 180.80 1krw h ALA 22 N 0.74 0.59 0.00 0.04 0.00 -1.65 -0.28 119.26 118.70 1krw h ALA 22 Ca 0.00 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1krw h ALA 22 Cb 0.16 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1krw h ALA 22 CO -0.01 -0.11 -0.39 1.25 0.00 0.00 0.00 179.25 179.98 1krw h LEU 23 N 0.47 0.00 -0.95 0.00 7.12 -1.11 -2.54 115.31 118.30 1krw h LEU 23 Ca 0.20 0.00 -0.09 0.00 0.13 0.00 0.00 57.88 58.12 1krw h LEU 23 Cb 0.10 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.22 1krw h LEU 23 CO -0.14 0.39 -0.24 0.00 -0.13 0.00 0.00 178.44 178.33 1krw h ALA 24 N 1.61 1.12 0.00 1.25 0.00 0.12 -1.42 119.26 121.93 1krw h ALA 24 Ca -0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1krw h ALA 24 Cb 0.91 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1krw h ALA 24 CO 0.05 0.55 -0.09 0.78 0.00 0.00 0.00 179.25 180.54 1krw h GLY 25 N 1.01 0.00 2.00 0.00 0.00 -0.65 0.37 103.07 105.79 1krw h GLY 25 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1krw h GLY 25 CO 0.05 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.59 1krw h ALA 26 N 1.91 1.00 0.00 3.60 0.00 -1.24 -3.47 119.26 121.06 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 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 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 0.92 1.45 3.47 0.00 0.00 0.12 -5.11 105.19 106.05 1krw n GLY 27 Ca 0.04 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 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 2.37 -0.34 0.99 1.02 -1.18 -4.82 118.68 116.72 1krw s LEU 28 Ca 0.00 -1.33 -0.19 0.00 0.02 0.00 0.00 54.13 52.62 1krw s LEU 28 Cb 0.00 -0.53 -0.00 0.00 0.02 0.00 0.00 46.19 45.68 1krw s LEU 28 CO 0.00 -0.52 0.59 -0.89 0.02 0.00 0.00 176.35 175.55 1krw s THR 29 N -3.13 4.95 -0.29 5.49 2.01 -0.02 -4.20 115.64 120.44 1krw s THR 29 Ca 0.35 0.54 -0.05 0.00 0.31 0.00 0.00 61.69 62.84 1krw s THR 29 Cb 0.08 -4.02 0.02 0.00 0.01 0.00 0.00 72.50 68.59 1krw s THR 29 CO 0.15 -0.24 0.04 0.00 -0.69 0.00 0.00 174.62 173.88 1krw s THR 31 N 1.42 1.92 0.31 0.00 -1.32 -0.87 -4.76 115.64 112.34 1krw s THR 31 Ca 0.00 -1.40 0.11 0.00 -1.21 0.00 0.00 61.69 59.19 1krw s THR 31 Cb -0.18 -1.67 -0.06 0.00 -1.51 0.00 0.00 72.50 69.08 1krw s THR 31 CO 0.01 0.20 -0.13 0.42 -2.21 0.00 0.00 174.62 172.90 1krw s THR 32 N -0.89 2.41 0.31 5.08 -4.23 -1.25 0.39 115.64 117.46 1krw s THR 32 Ca 0.10 -2.27 0.03 0.00 -1.18 0.00 0.00 61.69 58.36 1krw s THR 32 Cb -0.10 -2.51 -0.04 0.00 1.34 0.00 0.00 72.50 71.20 1krw s THR 32 CO 0.03 -0.30 0.13 -0.36 -0.54 0.00 0.00 174.62 173.58 1krw s PHE 33 N -2.55 1.66 0.11 3.99 0.40 0.35 -4.92 117.98 117.02 1krw s PHE 33 Ca 0.31 -1.27 -0.19 0.00 -0.60 0.00 0.00 56.93 55.19 1krw s PHE 33 Cb -0.01 -0.97 -0.06 0.00 0.51 0.00 0.00 43.02 42.49 1krw s PHE 33 CO 0.16 -0.38 1.67 1.05 0.70 0.00 0.00 175.22 178.42 1krw h GLU 34 N 2.17 0.37 0.00 0.44 4.11 -1.90 -2.39 114.58 117.38 1krw h GLU 34 Ca -0.36 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.02 1krw h GLU 34 Cb 1.25 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1krw h GLU 34 CO 0.57 0.37 0.00 0.09 0.07 0.00 0.00 179.01 180.11 1krw n ASN 35 N -4.81 -3.48 0.00 3.06 5.03 -1.26 -3.82 115.26 109.97 1krw n ASN 35 Ca -0.03 0.77 0.00 0.00 0.87 0.00 0.00 54.58 56.19 1krw n ASN 35 Cb 0.11 3.32 0.00 0.00 -1.02 0.00 0.00 39.78 42.18 1krw n ASN 35 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1krw n GLY 36 N -1.47 -0.08 0.30 7.41 0.00 -1.26 -4.39 105.19 105.68 1krw n GLY 36 Ca 0.00 -0.06 0.04 0.00 0.00 0.00 0.00 46.02 46.00 1krw n GLY 36 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1krw h ASN 37 N 0.00 0.38 0.31 1.61 -0.26 -1.96 -2.89 115.58 112.77 1krw h ASN 37 Ca 0.00 -0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 55.72 1krw h ASN 37 Cb 0.00 -0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 37.15 1krw h ASN 37 CO 0.00 0.30 -0.28 -0.08 -1.06 0.00 0.00 177.43 176.31 1krw h GLU 38 N 0.45 -0.59 -0.92 0.81 4.81 -1.97 -2.17 114.58 114.99 1krw h GLU 38 Ca 0.12 0.04 0.16 0.00 -0.13 0.00 0.00 59.36 59.54 1krw h GLU 38 Cb -0.01 0.14 -0.08 0.00 0.63 0.00 0.00 28.75 29.43 1krw h GLU 38 CO -0.02 -0.40 0.59 0.28 -0.73 0.00 0.00 179.01 178.73 1krw h VAL 39 N -0.62 0.81 -0.62 0.32 2.07 -1.87 0.08 116.25 116.42 1krw h VAL 39 Ca -0.02 -0.24 0.06 0.00 0.82 0.00 0.00 66.70 67.32 1krw h VAL 39 Cb 0.55 0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.31 1krw h VAL 39 CO -0.04 0.13 0.32 -0.07 0.02 0.00 0.00 177.57 177.93 1krw h LEU 40 N 0.70 0.45 -0.06 2.57 3.38 -1.35 1.03 115.31 122.05 1krw h LEU 40 Ca 0.48 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.47 1krw h LEU 40 Cb 0.78 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 1krw h LEU 40 CO -0.23 0.29 -0.03 0.00 0.09 0.00 0.00 178.44 178.56 1krw h ALA 41 N 1.34 0.08 -0.13 1.53 0.00 -0.59 -3.04 119.26 118.45 1krw h ALA 41 Ca 0.28 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1krw h ALA 41 Cb 0.20 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1krw h ALA 41 CO -0.19 -0.17 -0.16 0.00 0.00 0.00 0.00 179.25 178.72 1krw h ALA 42 N 0.61 1.50 0.00 0.00 0.00 -0.87 -2.13 119.26 118.37 1krw h ALA 42 Ca 0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1krw h ALA 42 Cb 0.47 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1krw h ALA 42 CO 0.01 0.36 -0.11 -0.07 0.00 0.00 0.00 179.25 179.44 1krw h LEU 43 N 0.19 0.00 -2.27 0.00 3.38 0.12 -2.33 115.31 114.40 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 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1krw h LEU 43 CO 0.03 0.11 0.12 0.00 0.09 0.00 0.00 178.44 178.79 1krw h ALA 44 N 1.89 1.12 0.00 1.53 0.00 -1.28 -1.50 119.26 121.02 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 0.01 -0.12 0.00 0.45 0.00 0.00 0.00 179.25 179.60 1krw n SER 45 N -2.80 0.84 -3.46 0.00 2.88 -0.90 -5.08 113.62 105.11 1krw n SER 45 Ca -0.02 -1.01 -0.11 0.00 -1.33 0.00 0.00 58.87 56.40 1krw n SER 45 Cb 0.18 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.62 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 -0.01 1.14 -0.12 -1.46 2.20 -0.57 -5.16 119.74 115.78 1krw s LYS 46 Ca 0.00 -0.43 -0.03 0.00 -0.36 0.00 0.00 55.97 55.15 1krw s LYS 46 Cb 0.00 0.52 0.05 0.00 -1.51 0.00 0.00 37.83 36.89 1krw s LYS 46 CO 0.00 -0.50 0.06 0.99 -0.36 0.00 0.00 175.35 175.54 1krw s THR 47 N -3.55 0.02 0.68 3.43 2.01 -1.26 -4.05 115.64 112.93 1krw s THR 47 Ca 0.03 0.04 -0.11 0.00 0.31 0.00 0.00 61.69 61.95 1krw s THR 47 Cb -0.01 -0.47 0.00 0.00 0.01 0.00 0.00 72.50 72.03 1krw s THR 47 CO -0.11 -0.05 1.06 -2.16 -0.69 0.00 0.00 174.62 172.67 1krw s PRO 48 N 2.10 3.01 0.31 4.92 0.04 -1.26 -4.97 135.00 139.16 1krw s PRO 48 Ca 0.03 0.96 0.16 0.00 0.04 0.00 0.00 61.00 62.19 1krw s PRO 48 Cb -0.14 -2.00 0.38 0.00 0.04 0.00 0.00 34.50 32.78 1krw s PRO 48 CO -0.06 -1.04 1.59 -0.44 0.04 0.00 0.00 177.00 177.09 1krw h ASP 49 N -0.60 0.00 -3.52 6.66 3.32 -0.33 -3.45 116.42 118.50 1krw h ASP 49 Ca -0.44 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.42 1krw h ASP 49 Cb 1.21 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.47 1krw h ASP 49 CO 0.57 0.50 -0.49 0.54 -1.72 0.00 0.00 179.24 178.64 1krw s VAL 50 N -3.33 -0.03 -0.06 -1.35 0.11 -1.13 -4.61 120.40 110.00 1krw s VAL 50 Ca 0.01 0.10 0.06 0.00 -2.93 0.00 0.00 61.98 59.22 1krw s VAL 50 Cb 0.10 -0.34 -0.01 0.00 -1.53 0.00 0.00 36.38 34.60 1krw s VAL 50 CO 0.72 0.04 -0.25 -0.22 -3.33 0.00 0.00 175.10 172.07 1krw s LEU 51 N 0.85 2.07 -0.17 2.54 2.96 0.12 -1.99 118.68 125.06 1krw s LEU 51 Ca -0.06 -0.52 0.01 0.00 -0.22 0.00 0.00 54.13 53.34 1krw s LEU 51 Cb -0.07 -1.38 0.01 0.00 0.50 0.00 0.00 46.19 45.25 1krw s LEU 51 CO -0.05 0.23 -0.19 -0.22 -1.32 0.00 0.00 176.35 174.80 1krw s LEU 52 N -0.08 2.20 -0.07 -0.68 0.20 0.11 0.52 118.68 120.89 1krw s LEU 52 Ca -0.06 -0.60 0.04 0.00 0.69 0.00 0.00 54.13 54.19 1krw s LEU 52 Cb -0.14 -1.49 -0.02 0.00 -0.43 0.00 0.00 46.19 44.10 1krw s LEU 52 CO 0.05 0.03 -0.17 -0.44 -0.29 0.00 0.00 176.35 175.52 1krw s SER 53 N 1.10 3.72 0.00 3.68 0.01 0.18 0.43 113.70 122.82 1krw s SER 53 Ca 0.00 -0.32 0.31 0.00 1.31 0.00 0.00 55.95 57.25 1krw s SER 53 Cb -0.14 -0.98 1.68 0.00 0.21 0.00 0.00 66.02 66.78 1krw s SER 53 CO -0.08 0.28 2.11 -0.67 0.41 0.00 0.00 173.24 175.30 1krw n ASP 54 N 2.75 0.12 -2.01 2.44 -0.08 -0.41 -2.63 116.55 116.72 1krw n ASP 54 Ca -0.17 -0.71 0.00 0.00 -1.51 0.00 0.00 54.79 52.40 1krw n ASP 54 Cb 0.52 -0.10 0.00 0.00 2.34 0.00 0.00 41.12 43.88 1krw n ASP 54 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1krw n ILE 55 N -1.03 -0.77 -2.69 5.18 3.06 -1.26 -4.61 119.36 117.23 1krw n ILE 55 Ca 0.20 0.07 -0.06 0.00 -2.50 0.00 0.00 62.75 60.46 1krw n ILE 55 Cb 0.18 -1.66 0.12 0.00 0.54 0.00 0.00 39.64 38.82 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 1.77 1.24 -1.02 9.51 3.00 -1.03 -4.80 116.66 125.33 1krw n ARG 56 Ca 0.00 -1.78 0.00 0.00 -0.00 0.00 0.00 57.85 56.07 1krw n ARG 56 Cb 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 32.46 32.51 1krw n ARG 56 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.63 177.51 1krw n MET 57 N -0.78 0.00 0.00 -0.14 0.00 0.43 -4.95 117.12 111.68 1krw n MET 57 Ca -0.05 0.04 0.00 0.00 0.00 0.00 0.00 57.70 57.69 1krw n MET 57 Cb 0.85 -1.98 0.00 0.00 0.00 0.00 0.00 33.22 32.10 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 -1.24 0.00 -0.12 2.12 -0.04 -1.25 -4.70 135.00 129.77 1krw n PRO 58 Ca 0.00 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.24 1krw n PRO 58 Cb 0.23 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.62 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 1.11 -0.55 2.77 0.55 0.00 -1.26 -4.60 105.19 103.21 1krw n GLY 59 Ca 0.00 -0.16 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 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 -4.35 3.22 0.00 1.61 0.00 -1.26 -4.84 117.12 111.49 1krw n MET 60 Ca -0.38 -4.79 0.00 0.00 -0.00 0.00 0.00 57.70 52.52 1krw n MET 60 Cb 0.73 -2.27 0.00 0.00 0.00 0.00 0.00 33.22 31.68 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 0.13 0.00 0.00 6.12 8.00 -1.26 -1.91 116.55 127.63 1krw n ASP 61 Ca 0.32 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.82 1krw n ASP 61 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 1krw n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1krw n GLY 62 N 0.00 0.45 0.27 0.44 0.00 -1.26 -0.43 105.19 104.66 1krw n GLY 62 Ca 0.00 -0.01 0.18 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.26 0.99 4.07 -1.75 -2.62 115.31 114.74 1krw h LEU 63 Ca 0.00 0.00 0.14 0.00 0.08 0.00 0.00 57.88 58.10 1krw h LEU 63 Cb 0.00 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 41.67 1krw h LEU 63 CO 0.00 0.00 0.58 0.00 -1.08 0.00 0.00 178.44 177.94 1krw h ALA 64 N 2.03 1.79 -0.61 1.53 0.00 -1.87 -0.37 119.26 121.76 1krw h ALA 64 Ca 0.00 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1krw h ALA 64 Cb 0.34 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1krw h ALA 64 CO 0.00 -0.03 0.37 -0.07 0.00 0.00 0.00 179.25 179.52 1krw h LEU 65 N 0.73 0.59 -0.57 0.00 3.38 -1.80 -2.21 115.31 115.43 1krw h LEU 65 Ca 0.45 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.49 1krw h LEU 65 Cb 0.67 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.25 1krw h LEU 65 CO -0.21 0.40 0.27 -0.07 0.09 0.00 0.00 178.44 178.92 1krw h LEU 66 N 0.71 0.35 -0.44 1.67 3.38 -1.23 -0.22 115.31 119.53 1krw h LEU 66 Ca 0.25 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.35 1krw h LEU 66 Cb 0.05 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.72 1krw h LEU 66 CO -0.12 0.23 0.03 0.11 0.09 0.00 0.00 178.44 178.78 1krw h LYS 67 N 0.50 0.14 -0.27 1.13 1.57 -1.18 -0.70 116.57 117.76 1krw h LYS 67 Ca 0.27 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.96 1krw h LYS 67 Cb 0.24 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1krw h LYS 67 CO -0.22 0.09 -0.18 1.96 -0.57 0.00 0.00 179.45 180.53 1krw h GLN 68 N 0.15 0.49 -0.76 3.15 1.08 -1.10 -2.77 115.11 115.35 1krw h GLN 68 Ca 0.22 -0.16 -0.01 0.00 -1.45 0.00 0.00 58.65 57.25 1krw h GLN 68 Cb 0.31 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.66 1krw h GLN 68 CO -0.34 0.66 0.43 0.82 -0.95 0.00 0.00 178.83 179.45 1krw h ILE 69 N 0.45 1.22 0.00 2.54 2.04 0.36 -2.04 117.51 122.08 1krw h ILE 69 Ca 0.07 -0.54 -0.10 0.00 1.00 0.00 0.00 64.86 65.30 1krw h ILE 69 Cb 0.58 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1krw h ILE 69 CO 0.04 0.24 -0.47 0.07 0.00 0.00 0.00 178.15 178.04 1krw h LYS 70 N 1.05 0.00 -0.16 2.37 2.10 -1.10 0.50 116.57 121.33 1krw h LYS 70 Ca 0.27 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.72 1krw h LYS 70 Cb 0.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 1krw h LYS 70 CO -0.05 0.47 -0.70 1.96 -2.00 0.00 0.00 179.45 179.13 1krw h GLN 71 N 0.00 0.67 0.03 0.07 4.20 -1.15 -3.37 115.11 115.57 1krw h GLN 71 Ca -0.00 -0.51 -0.39 0.00 0.06 0.00 0.00 58.65 57.81 1krw h GLN 71 Cb 0.93 0.09 -0.06 0.00 0.30 0.00 0.00 27.48 28.75 1krw h GLN 71 CO 0.06 1.13 -2.31 0.54 -0.67 0.00 0.00 178.83 177.57 1krw n ARG 72 N -3.92 0.67 -4.47 1.46 1.74 -0.82 -4.93 116.66 106.39 1krw n ARG 72 Ca -0.06 0.21 -0.34 0.00 -0.77 0.00 0.00 57.85 56.89 1krw n ARG 72 Cb 0.70 -1.57 -0.10 0.00 -1.02 0.00 0.00 32.46 30.46 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 -2.52 3.07 0.15 -1.55 0.09 0.18 -5.04 115.29 109.66 1krw s HIS 73 Ca -0.32 0.10 -0.05 0.00 -0.00 0.00 0.00 55.06 54.79 1krw s HIS 73 Cb 0.09 -1.77 -0.03 0.00 -0.00 0.00 0.00 32.58 30.88 1krw s HIS 73 CO 0.63 0.39 1.37 -1.00 -0.00 0.00 0.00 174.74 176.13 1krw h PRO 74 N 5.29 0.50 -0.00 8.40 0.13 -1.78 -3.37 132.00 141.16 1krw h PRO 74 Ca -0.49 -0.43 -0.14 0.00 -0.87 0.00 0.00 66.00 64.07 1krw h PRO 74 Cb 1.18 0.10 -0.13 0.00 0.13 0.00 0.00 31.00 32.28 1krw h PRO 74 CO 0.54 1.07 -0.29 -1.33 -0.23 0.00 0.00 178.00 177.76 1krw n MET 75 N -3.84 0.17 -1.86 0.86 2.81 -1.17 -4.69 117.12 109.39 1krw n MET 75 Ca -0.06 -1.04 -0.42 0.00 -1.81 0.00 0.00 57.70 54.38 1krw n MET 75 Cb 0.75 0.49 -0.03 0.00 -0.71 0.00 0.00 33.22 33.71 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 -0.50 4.26 0.09 4.03 0.20 -1.26 -4.58 118.68 120.92 1krw s LEU 76 Ca 0.01 2.31 -0.31 0.00 0.69 0.00 0.00 54.13 56.84 1krw s LEU 76 Cb 0.06 -3.53 -0.09 0.00 -0.43 0.00 0.00 46.19 42.20 1krw s LEU 76 CO -0.02 -1.08 1.71 -2.84 -0.29 0.00 0.00 176.35 173.83 1krw s PRO 77 N 4.43 4.18 0.05 0.98 0.02 -1.20 -4.10 135.00 139.35 1krw s PRO 77 Ca 0.81 2.41 0.09 0.00 0.02 0.00 0.00 61.00 64.33 1krw s PRO 77 Cb -0.36 -3.60 -0.03 0.00 0.02 0.00 0.00 34.50 30.53 1krw s PRO 77 CO 0.34 -0.77 -0.25 0.08 -0.33 0.00 0.00 177.00 176.08 1krw s VAL 78 N 2.67 2.27 -0.21 3.83 1.01 -1.22 -0.70 120.40 128.05 1krw s VAL 78 Ca 0.76 -1.40 0.01 0.00 0.00 0.00 0.00 61.98 61.35 1krw s VAL 78 Cb -0.42 -1.91 0.05 0.00 0.00 0.00 0.00 36.38 34.10 1krw s VAL 78 CO 0.34 0.33 -0.08 -0.63 0.00 0.00 0.00 175.10 175.06 1krw s ILE 79 N -0.86 1.50 -0.06 2.22 1.01 0.18 0.63 121.20 125.82 1krw s ILE 79 Ca 0.13 -1.01 -0.07 0.00 0.00 0.00 0.00 60.65 59.69 1krw s ILE 79 Cb -0.10 -1.66 -0.04 0.00 0.01 0.00 0.00 42.46 40.66 1krw s ILE 79 CO 0.03 0.06 0.20 -0.63 0.00 0.00 0.00 174.94 174.61 1krw s ILE 80 N 1.44 5.40 0.08 2.92 -1.09 -1.11 0.48 121.20 129.32 1krw s ILE 80 Ca -0.03 0.23 -0.14 0.00 -2.23 0.00 0.00 60.65 58.48 1krw s ILE 80 Cb -0.17 -3.49 -0.17 0.00 -1.58 0.00 0.00 42.46 37.05 1krw s ILE 80 CO -0.07 0.52 1.27 0.00 -1.23 0.00 0.00 174.94 175.43 1krw h MET 81 N 4.59 0.72 -4.67 2.79 -0.00 -1.76 -1.23 114.93 115.37 1krw h MET 81 Ca -0.53 -0.60 -0.26 0.00 -0.00 0.00 0.00 59.70 58.31 1krw h MET 81 Cb 1.22 0.13 -0.18 0.00 -0.00 0.00 0.00 31.60 32.77 1krw h MET 81 CO 0.62 1.21 -0.72 0.99 -0.00 0.00 0.00 176.91 179.01 1krw s THR 82 N -3.70 0.68 -0.15 -0.10 2.01 -1.25 -3.49 115.64 109.64 1krw s THR 82 Ca -0.11 -1.56 0.18 0.00 0.31 0.00 0.00 61.69 60.51 1krw s THR 82 Cb 0.08 -1.22 0.34 0.00 0.01 0.00 0.00 72.50 71.71 1krw s THR 82 CO 0.89 -0.63 1.20 0.00 -0.69 0.00 0.00 174.62 175.38 1krw n ALA 83 N 0.63 2.51 -0.29 7.40 0.00 -1.26 -4.81 120.51 124.70 1krw n ALA 83 Ca -0.17 -2.64 0.00 0.00 0.00 0.00 0.00 53.44 50.63 1krw n ALA 83 Cb 0.58 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.60 1krw n ALA 83 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1krw n HIS 84 N -1.27 0.00 0.00 0.00 8.25 -1.26 -4.30 115.22 116.64 1krw n HIS 84 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 1krw n HIS 84 Cb 0.69 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.80 1krw n HIS 84 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1krw n SER 85 N 0.00 0.00 -2.73 0.41 2.88 -1.26 -4.31 113.62 108.61 1krw n SER 85 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 1krw n SER 85 Cb 0.00 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.54 1krw n SER 85 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1krw n ASP 86 N -0.11 0.20 0.18 -3.46 9.92 -1.26 -4.80 116.55 117.23 1krw n ASP 86 Ca 0.00 -2.32 0.16 0.00 -0.53 0.00 0.00 54.79 52.10 1krw n ASP 86 Cb 0.00 0.05 0.60 0.00 -0.64 0.00 0.00 41.12 41.13 1krw n ASP 86 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1krw h LEU 87 N 2.22 0.00 -0.62 0.64 6.46 -1.75 -1.96 115.31 120.30 1krw h LEU 87 Ca -0.23 0.00 0.13 0.00 -0.12 0.00 0.00 57.88 57.66 1krw h LEU 87 Cb 1.26 0.00 -0.11 0.00 -0.73 0.00 0.00 40.66 41.08 1krw h LEU 87 CO 0.13 0.00 -0.10 0.44 -0.62 0.00 0.00 178.44 178.29 1krw h ASP 88 N 0.00 -0.48 0.67 1.25 5.19 -1.95 0.51 116.42 121.62 1krw h ASP 88 Ca 0.13 0.18 -0.01 0.00 -0.62 0.00 0.00 57.03 56.71 1krw h ASP 88 Cb 1.35 0.35 -0.00 0.00 0.18 0.00 0.00 39.33 41.21 1krw h ASP 88 CO -0.00 -0.18 -0.04 0.00 -3.12 0.00 0.00 179.24 175.90 1krw h ALA 89 N 1.60 1.05 -0.26 3.45 0.00 -1.73 -2.72 119.26 120.65 1krw h ALA 89 Ca 0.31 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.04 1krw h ALA 89 Cb 0.49 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1krw h ALA 89 CO -0.60 0.05 -0.38 0.00 0.00 0.00 0.00 179.25 178.31 1krw h ALA 90 N 1.96 0.39 -0.33 0.00 0.00 -0.13 -2.72 119.26 118.44 1krw h ALA 90 Ca -0.00 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1krw h ALA 90 Cb 0.39 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1krw h ALA 90 CO 0.01 0.49 0.15 0.28 0.00 0.00 0.00 179.25 180.17 1krw h VAL 91 N 0.45 1.17 0.00 0.00 2.07 -1.06 -1.50 116.25 117.38 1krw h VAL 91 Ca 0.03 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 1krw h VAL 91 Cb 0.98 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1krw h VAL 91 CO 0.09 0.18 -0.03 0.28 0.02 0.00 0.00 177.57 178.10 1krw h SER 92 N 0.39 0.00 -0.16 0.57 0.02 -1.56 -1.83 113.55 110.99 1krw h SER 92 Ca 0.11 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 1krw h SER 92 Cb 0.14 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1krw h SER 92 CO -0.01 0.03 0.04 0.00 -1.14 0.00 0.00 176.83 175.75 1krw h ALA 93 N 1.97 0.21 -0.15 3.77 0.00 -0.94 -1.94 119.26 122.17 1krw h ALA 93 Ca -0.00 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.81 1krw h ALA 93 Cb 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1krw h ALA 93 CO 0.00 -0.15 0.12 1.88 0.00 0.00 0.00 179.25 181.10 1krw h TYR 94 N 0.06 0.00 -0.09 0.00 0.05 -1.09 0.34 116.97 116.24 1krw h TYR 94 Ca 0.05 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.61 1krw h TYR 94 Cb 0.26 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.00 1krw h TYR 94 CO 0.01 0.00 -0.83 -0.56 -1.05 0.00 0.00 178.16 175.73 1krw h GLN 95 N 0.00 0.63 0.00 4.88 -0.00 -1.31 -3.06 115.11 116.26 1krw h GLN 95 Ca 0.07 -0.56 0.00 0.00 -0.00 0.00 0.00 58.65 58.17 1krw h GLN 95 Cb 0.32 0.13 0.00 0.00 -0.00 0.00 0.00 27.48 27.93 1krw h GLN 95 CO -0.00 1.17 -0.29 0.00 -0.00 0.00 0.00 178.83 179.71 1krw n GLN 96 N -3.87 0.14 0.00 0.06 10.64 -0.28 -4.89 117.38 119.18 1krw n GLN 96 Ca -0.07 0.07 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1krw n GLN 96 Cb 0.77 -1.62 0.00 0.00 -0.86 0.00 0.00 30.24 28.53 1krw n GLN 96 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1krw n GLY 97 N 1.41 0.85 3.78 2.61 0.00 0.85 -3.01 105.19 111.69 1krw n GLY 97 Ca 0.05 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 s ALA 98 N -0.85 3.14 -0.10 4.61 0.00 0.63 -3.28 121.76 125.92 1krw s ALA 98 Ca 0.00 0.60 -0.20 0.00 0.00 0.00 0.00 51.96 52.37 1krw s ALA 98 Cb 0.00 -3.23 -0.16 0.00 0.00 0.00 0.00 23.12 19.73 1krw s ALA 98 CO 0.00 -0.02 0.63 0.35 0.00 0.00 0.00 175.76 176.73 1krw h PHE 99 N 2.75 -0.06 0.00 0.00 3.57 -0.09 -3.40 116.94 119.71 1krw h PHE 99 Ca -0.48 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.02 1krw h PHE 99 Cb 1.20 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.96 1krw h PHE 99 CO 0.60 0.51 0.00 -3.47 -2.23 0.00 0.00 178.31 173.72 1krw n ASP 100 N -4.75 0.00 -4.16 0.41 -0.08 -1.14 -5.01 116.55 101.81 1krw n ASP 100 Ca -0.07 0.00 -0.16 0.00 -1.51 0.00 0.00 54.79 53.05 1krw n ASP 100 Cb 0.29 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.64 1krw n ASP 100 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1krw s TYR 101 N -3.00 1.08 -0.23 -0.67 1.51 -1.26 -2.75 117.35 112.03 1krw s TYR 101 Ca 0.00 -0.56 -0.09 0.00 -1.01 0.00 0.00 57.07 55.41 1krw s TYR 101 Cb 0.00 -0.60 -0.04 0.00 -0.11 0.00 0.00 41.96 41.21 1krw s TYR 101 CO 0.00 0.02 0.10 -0.51 -1.11 0.00 0.00 175.55 174.05 1krw s LEU 102 N -2.10 3.79 0.00 -1.29 1.02 -0.46 -4.97 118.68 114.66 1krw s LEU 102 Ca 0.01 -0.02 0.00 0.00 0.02 0.00 0.00 54.13 54.14 1krw s LEU 102 Cb -0.06 -2.00 0.00 0.00 0.02 0.00 0.00 46.19 44.14 1krw s LEU 102 CO 0.01 0.05 0.16 -0.81 0.02 0.00 0.00 176.35 175.78 1krw n PRO 103 N 4.36 0.00 -0.05 1.29 -0.04 -1.26 -3.80 135.00 135.49 1krw n PRO 103 Ca -0.16 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.22 1krw n PRO 103 Cb 0.52 -0.56 -0.03 0.00 -0.04 0.00 0.00 33.50 33.39 1krw n PRO 103 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1krw n LYS 104 N -0.27 0.36 -0.71 0.54 5.02 -1.26 -4.82 118.16 117.02 1krw n LYS 104 Ca 0.00 0.15 -0.32 0.00 -2.02 0.00 0.00 58.31 56.12 1krw n LYS 104 Cb 0.00 -1.13 0.16 0.00 -0.02 0.00 0.00 35.03 34.04 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 -4.08 -0.47 0.00 1.97 -0.04 -1.26 -4.96 135.00 126.16 1krw n PRO 105 Ca -0.15 -0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.23 1krw n PRO 105 Cb 0.43 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 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 -4.07 0.00 -0.21 0.54 7.35 -1.26 -4.88 117.46 114.92 1krw n PHE 106 Ca 0.10 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.81 1krw n PHE 106 Cb 0.53 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 -1.07 -0.13 -2.13 5.68 -1.26 -1.95 116.55 115.70 1krw n ASP 107 Ca 0.00 0.19 -0.11 0.00 -0.50 0.00 0.00 54.79 54.36 1krw n ASP 107 Cb 0.00 -0.94 -0.02 0.00 -1.14 0.00 0.00 41.12 39.02 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 -0.16 1.28 -0.12 2.12 5.03 -1.98 0.58 117.51 124.26 1krw h ILE 108 Ca 0.00 -1.20 0.04 0.00 -0.12 0.00 0.00 64.86 63.58 1krw h ILE 108 Cb 0.16 1.28 -0.07 0.00 -3.03 0.00 0.00 36.82 35.16 1krw h ILE 108 CO 0.00 0.40 -0.45 0.44 -0.68 0.00 0.00 178.15 177.86 1krw h ASP 109 N 0.54 -1.42 0.70 1.72 5.19 -1.98 1.11 116.42 122.27 1krw h ASP 109 Ca 0.09 0.18 -0.20 0.00 -0.62 0.00 0.00 57.03 56.48 1krw h ASP 109 Cb 0.63 0.57 -0.02 0.00 0.18 0.00 0.00 39.33 40.70 1krw h ASP 109 CO 0.04 -0.45 -0.91 -0.33 -3.12 0.00 0.00 179.24 174.47 1krw h GLU 110 N -0.52 0.13 0.60 3.56 4.39 -1.44 -1.98 114.58 119.32 1krw h GLU 110 Ca 0.06 -0.16 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 1krw h GLU 110 Cb 0.65 0.05 0.01 0.00 -0.10 0.00 0.00 28.75 29.35 1krw h GLU 110 CO -0.40 0.95 -0.29 0.00 -1.16 0.00 0.00 179.01 178.11 1krw h ALA 111 N 0.99 -0.81 -0.21 3.43 0.00 -0.24 -0.89 119.26 121.54 1krw h ALA 111 Ca -0.04 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1krw h ALA 111 Cb 1.57 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 1krw h ALA 111 CO 0.13 -0.76 0.14 0.28 0.00 0.00 0.00 179.25 179.04 1krw h VAL 112 N -1.19 1.00 -0.29 0.00 2.07 0.11 0.12 116.25 118.08 1krw h VAL 112 Ca -0.08 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1krw h VAL 112 Cb 0.64 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1krw h VAL 112 CO 0.14 0.03 0.11 0.00 0.02 0.00 0.00 177.57 177.87 1krw h ALA 113 N 1.88 0.37 0.00 1.67 0.00 -1.28 -0.93 119.26 120.98 1krw h ALA 113 Ca 0.08 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1krw h ALA 113 Cb 0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1krw h ALA 113 CO -0.02 -0.02 -0.18 1.25 0.00 0.00 0.00 179.25 180.28 1krw h LEU 114 N 0.31 0.00 0.13 0.00 5.85 -0.05 -2.93 115.31 118.62 1krw h LEU 114 Ca 0.10 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.61 1krw h LEU 114 Cb 0.20 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.25 1krw h LEU 114 CO -0.01 0.18 -0.88 1.62 -0.34 0.00 0.00 178.44 179.02 1krw h VAL 115 N 0.00 1.46 -0.37 1.05 3.04 -0.48 -3.12 116.25 117.84 1krw h VAL 115 Ca -0.00 -2.48 -0.04 0.00 -1.01 0.00 0.00 66.70 63.16 1krw h VAL 115 Cb 0.91 3.07 -0.01 0.00 -2.01 0.00 0.00 31.29 33.25 1krw h VAL 115 CO 0.02 0.71 0.07 -0.33 -1.01 0.00 0.00 177.57 177.03 1krw h GLU 116 N -0.24 0.60 0.00 4.17 5.08 -1.23 -2.33 114.58 120.63 1krw h GLU 116 Ca -0.15 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.05 1krw h GLU 116 Cb 1.67 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.84 1krw h GLU 116 CO 0.17 0.66 -0.03 0.00 -1.00 0.00 0.00 179.01 178.81 1krw h ARG 117 N 0.45 0.00 -0.12 2.33 3.08 -1.64 -1.18 114.38 117.29 1krw h ARG 117 Ca 0.11 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.08 1krw h ARG 117 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1krw h ARG 117 CO 0.01 0.03 -0.23 0.00 -1.07 0.00 0.00 179.97 178.70 1krw h ALA 118 N 1.97 0.19 -0.06 0.04 0.00 -1.35 -1.35 119.26 118.71 1krw h ALA 118 Ca -0.00 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.42 1krw h ALA 118 Cb 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1krw h ALA 118 CO 0.00 0.16 -0.47 0.82 0.00 0.00 0.00 179.25 179.77 1krw h ILE 119 N -0.04 1.34 -0.09 0.00 2.04 -1.16 -2.56 117.51 117.02 1krw h ILE 119 Ca 0.01 -1.64 -0.04 0.00 1.00 0.00 0.00 64.86 64.18 1krw h ILE 119 Cb 0.81 1.81 -0.00 0.00 -0.74 0.00 0.00 36.82 38.70 1krw h ILE 119 CO 0.05 0.48 -0.12 -1.28 0.00 0.00 0.00 178.15 177.29 1krw h SER 120 N 0.12 0.26 0.27 1.72 0.87 -1.21 -2.19 113.55 113.39 1krw h SER 120 Ca 0.01 -0.51 -0.02 0.00 -1.23 0.00 0.00 61.79 60.03 1krw h SER 120 Cb 0.87 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.76 1krw h SER 120 CO 0.07 0.72 -0.11 0.45 -0.53 0.00 0.00 176.83 177.43 1krw h HIS 121 N -0.19 0.00 0.06 2.24 3.86 -1.20 -2.89 115.15 117.03 1krw h HIS 121 Ca 0.01 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1krw h HIS 121 Cb 0.66 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.13 1krw h HIS 121 CO 0.10 0.11 -0.03 -0.92 0.86 0.00 0.00 177.93 178.05 1krw h TYR 122 N 0.00 -0.08 -0.61 2.45 3.20 -1.33 -3.46 116.97 117.13 1krw h TYR 122 Ca -0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1krw h TYR 122 Cb 0.28 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.57 1krw h TYR 122 CO 0.00 0.52 0.00 0.94 -1.64 0.00 0.00 178.16 177.98 1krw n GLN 123 N -4.81 1.50 0.00 1.82 7.27 -0.83 -5.11 117.38 117.22 1krw n GLN 123 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.99 1krw n GLN 123 Cb 0.31 -0.61 0.00 0.00 2.41 0.00 0.00 30.24 32.35 1krw n GLN 123 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22