#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 -3.51 0.23 0.03 3.00 -1.26 -4.81 117.38 111.06 1krw n GLN 2 Ca 0.00 2.76 -0.10 0.00 -0.01 0.00 0.00 57.00 59.65 1krw n GLN 2 Cb 0.00 -3.57 -0.05 0.00 0.00 0.00 0.00 30.24 26.62 1krw n GLN 2 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.06 177.13 1krw h ARG 3 N -0.24 -0.62 -0.16 -1.09 0.11 -2.06 -3.50 114.38 106.82 1krw h ARG 3 Ca -0.05 0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1krw h ARG 3 Cb 0.97 0.14 0.00 0.00 1.11 0.00 0.00 29.97 32.19 1krw h ARG 3 CO 0.02 -0.41 0.00 0.41 0.10 0.00 0.00 179.97 180.08 1krw n GLY 4 N 0.07 0.16 3.27 0.08 0.00 -1.26 -4.56 105.19 102.94 1krw n GLY 4 Ca -0.08 -0.84 -0.36 0.00 0.00 0.00 0.00 46.02 44.73 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 0.00 3.53 -0.21 -0.61 -1.09 -1.26 -1.09 121.20 120.47 1krw s ILE 5 Ca 0.00 -0.99 -0.05 0.00 -2.23 0.00 0.00 60.65 57.38 1krw s ILE 5 Cb 0.00 -2.90 -0.02 0.00 -1.58 0.00 0.00 42.46 37.96 1krw s ILE 5 CO 0.00 0.00 -0.00 0.54 -1.23 0.00 0.00 174.94 174.25 1krw s VAL 6 N 1.40 3.86 -0.10 2.92 0.11 0.94 0.77 120.40 130.28 1krw s VAL 6 Ca -0.00 -0.34 0.01 0.00 -2.93 0.00 0.00 61.98 58.71 1krw s VAL 6 Cb -0.18 -2.75 -0.02 0.00 -1.53 0.00 0.00 36.38 31.90 1krw s VAL 6 CO 0.01 0.42 -0.13 0.26 -3.33 0.00 0.00 175.10 172.33 1krw s TRP 7 N 1.13 2.79 0.06 1.54 0.52 -1.06 -1.66 118.94 122.27 1krw s TRP 7 Ca 0.03 -0.44 0.09 0.00 0.02 0.00 0.00 56.10 55.80 1krw s TRP 7 Cb -0.14 -1.77 -0.03 0.00 -1.15 0.00 0.00 33.47 30.37 1krw s TRP 7 CO 0.01 -0.05 -0.25 0.08 0.02 0.00 0.00 176.95 176.76 1krw s VAL 8 N -0.06 2.26 -0.24 4.03 1.01 0.10 -2.23 120.40 125.28 1krw s VAL 8 Ca -0.02 -1.45 0.01 0.00 0.00 0.00 0.00 61.98 60.52 1krw s VAL 8 Cb -0.14 -1.92 0.06 0.00 0.00 0.00 0.00 36.38 34.38 1krw s VAL 8 CO 0.04 0.30 -0.08 -0.69 0.00 0.00 0.00 175.10 174.67 1krw s VAL 9 N -0.88 1.72 0.00 2.92 1.01 0.23 -0.71 120.40 124.69 1krw s VAL 9 Ca 0.13 -1.30 0.00 0.00 0.00 0.00 0.00 61.98 60.80 1krw s VAL 9 Cb -0.10 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.36 1krw s VAL 9 CO 0.03 -0.04 0.00 -0.67 0.00 0.00 0.00 175.10 174.42 1krw n ASP 10 N 4.61 0.00 0.00 3.32 -0.08 -1.07 -1.67 116.55 121.66 1krw n ASP 10 Ca -0.13 -0.35 0.05 0.00 -1.51 0.00 0.00 54.79 52.86 1krw n ASP 10 Cb 0.44 0.00 0.30 0.00 2.34 0.00 0.00 41.12 44.20 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 -0.33 0.00 0.00 1.67 8.00 -1.26 -3.57 116.55 121.06 1krw n ASP 11 Ca 0.00 -0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.31 1krw n ASP 11 Cb 0.00 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 1krw n ASP 11 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1krw n ASP 12 N -1.09 0.00 0.00 -2.24 -0.08 -1.26 -4.68 116.55 107.20 1krw n ASP 12 Ca 0.07 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.35 1krw n ASP 12 Cb 0.05 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.51 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 1.09 0.00 0.05 1.67 2.88 -1.26 0.88 113.62 118.93 1krw n SER 13 Ca 0.00 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.34 1krw n SER 13 Cb 0.00 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 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 0.48 -0.09 -3.46 0.02 -2.01 -3.10 113.55 105.39 1krw h SER 14 Ca 0.00 -0.95 -0.06 0.00 -0.84 0.00 0.00 61.79 59.93 1krw h SER 14 Cb 0.00 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 1krw h SER 14 CO 0.00 1.41 -0.12 0.40 -1.14 0.00 0.00 176.83 177.37 1krw h ILE 15 N -0.36 1.22 0.20 3.27 1.08 0.16 -3.09 117.51 120.00 1krw h ILE 15 Ca -0.15 -0.96 -0.01 0.00 -0.39 0.00 0.00 64.86 63.35 1krw h ILE 15 Cb 1.66 1.16 0.00 0.00 -3.07 0.00 0.00 36.82 36.58 1krw h ILE 15 CO 0.15 0.31 -0.10 0.08 -0.69 0.00 0.00 178.15 177.90 1krw h ARG 16 N 0.39 -0.26 -0.92 2.37 -0.00 -1.66 -2.92 114.38 111.37 1krw h ARG 16 Ca 0.08 0.02 0.23 0.00 -0.00 0.00 0.00 59.98 60.30 1krw h ARG 16 Cb 0.46 0.06 -0.12 0.00 -0.00 0.00 0.00 29.97 30.37 1krw h ARG 16 CO 0.03 0.12 0.45 2.35 -0.00 0.00 0.00 179.97 182.91 1krw h TRP 17 N -0.89 0.75 0.26 4.08 7.01 -1.56 0.59 115.95 126.19 1krw h TRP 17 Ca -0.03 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.00 1krw h TRP 17 Cb 0.50 -0.19 0.00 0.00 -2.10 0.00 0.00 29.16 27.38 1krw h TRP 17 CO 0.07 -0.02 -0.13 0.28 -2.79 0.00 0.00 178.44 175.85 1krw h VAL 18 N 0.45 0.38 -0.06 2.65 2.07 -1.63 -3.02 116.25 117.08 1krw h VAL 18 Ca 0.58 -0.88 -0.06 0.00 0.82 0.00 0.00 66.70 67.17 1krw h VAL 18 Cb 1.11 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1krw h VAL 18 CO -0.51 0.10 -0.22 -0.07 0.02 0.00 0.00 177.57 176.89 1krw h LEU 19 N -1.01 0.10 0.57 2.57 4.07 -1.29 -2.26 115.31 118.07 1krw h LEU 19 Ca -0.04 -0.02 -0.03 0.00 0.08 0.00 0.00 57.88 57.87 1krw h LEU 19 Cb 0.44 -0.03 0.01 0.00 1.08 0.00 0.00 40.66 42.15 1krw h LEU 19 CO 0.06 0.33 -0.28 1.05 -1.08 0.00 0.00 178.44 178.52 1krw h GLU 20 N 0.10 -0.74 -0.03 1.13 4.11 0.08 -1.27 114.58 117.96 1krw h GLU 20 Ca 0.02 0.05 0.02 0.00 0.07 0.00 0.00 59.36 59.52 1krw h GLU 20 Cb 0.44 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 1krw h GLU 20 CO 0.03 -0.46 -0.11 0.00 0.07 0.00 0.00 179.01 178.54 1krw h ARG 21 N -1.16 -0.16 -0.66 1.06 2.47 -1.55 0.75 114.38 115.13 1krw h ARG 21 Ca -0.08 0.01 0.02 0.00 -1.26 0.00 0.00 59.98 58.67 1krw h ARG 21 Cb 0.62 0.04 -0.04 0.00 -1.65 0.00 0.00 29.97 28.94 1krw h ARG 21 CO 0.13 -0.11 0.43 0.00 0.56 0.00 0.00 179.97 180.98 1krw h ALA 22 N 0.83 0.85 0.00 0.04 0.00 -1.51 -0.39 119.26 119.08 1krw h ALA 22 Ca 0.05 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1krw h ALA 22 Cb 0.23 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1krw h ALA 22 CO -0.13 0.23 -0.32 1.25 0.00 0.00 0.00 179.25 180.28 1krw h LEU 23 N 0.86 0.00 -0.72 0.00 5.85 -0.93 -2.81 115.31 117.56 1krw h LEU 23 Ca 0.25 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.84 1krw h LEU 23 Cb -0.06 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1krw h LEU 23 CO -0.07 0.32 -0.41 0.00 -0.34 0.00 0.00 178.44 177.94 1krw h ALA 24 N 1.68 0.90 0.00 1.25 0.00 0.16 -2.35 119.26 120.90 1krw h ALA 24 Ca -0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1krw h ALA 24 Cb 0.95 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1krw h ALA 24 CO 0.04 0.64 -0.12 0.78 0.00 0.00 0.00 179.25 180.59 1krw h GLY 25 N 1.10 0.00 2.00 0.00 0.00 -0.84 -0.74 103.07 104.59 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 0.08 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.62 1krw h ALA 26 N 1.88 1.00 0.00 3.60 0.00 -1.42 -3.47 119.26 120.85 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 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1krw h ALA 26 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 1krw n GLY 27 N 0.84 1.67 3.51 0.00 0.00 -0.28 -5.12 105.19 105.81 1krw n GLY 27 Ca 0.04 0.00 -0.24 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 2.36 -0.47 0.99 1.02 -1.17 -4.74 118.68 116.67 1krw s LEU 28 Ca 0.00 -1.41 -0.16 0.00 0.02 0.00 0.00 54.13 52.59 1krw s LEU 28 Cb 0.00 -0.52 0.06 0.00 0.02 0.00 0.00 46.19 45.76 1krw s LEU 28 CO 0.00 -0.60 0.41 -0.89 0.02 0.00 0.00 176.35 175.30 1krw s THR 29 N -3.12 5.19 -0.32 5.49 2.01 -0.25 -4.27 115.64 120.38 1krw s THR 29 Ca 0.34 -0.93 -0.14 0.00 0.31 0.00 0.00 61.69 61.28 1krw s THR 29 Cb 0.08 -4.12 -0.03 0.00 0.01 0.00 0.00 72.50 68.45 1krw s THR 29 CO 0.16 -0.57 0.29 0.00 -0.69 0.00 0.00 174.62 173.81 1krw s THR 31 N 1.89 1.35 0.32 0.00 -1.32 -0.67 -4.83 115.64 112.40 1krw s THR 31 Ca 0.10 -0.62 0.07 0.00 -1.21 0.00 0.00 61.69 60.03 1krw s THR 31 Cb -0.17 -1.21 -0.02 0.00 -1.51 0.00 0.00 72.50 69.60 1krw s THR 31 CO 0.11 0.40 0.36 0.42 -2.21 0.00 0.00 174.62 173.70 1krw s THR 32 N 0.49 3.92 0.30 5.08 -4.23 -1.25 0.03 115.64 119.98 1krw s THR 32 Ca -0.14 -1.20 0.03 0.00 -1.18 0.00 0.00 61.69 59.21 1krw s THR 32 Cb -0.15 -3.33 -0.04 0.00 1.34 0.00 0.00 72.50 70.32 1krw s THR 32 CO 0.04 -0.19 0.16 -0.36 -0.54 0.00 0.00 174.62 173.74 1krw s PHE 33 N -2.22 1.60 0.23 3.99 0.40 0.11 -4.90 117.98 117.19 1krw s PHE 33 Ca 0.42 -1.38 -0.07 0.00 -0.60 0.00 0.00 56.93 55.30 1krw s PHE 33 Cb -0.08 -0.85 0.21 0.00 0.51 0.00 0.00 43.02 42.82 1krw s PHE 33 CO 0.28 -0.53 1.86 1.05 0.70 0.00 0.00 175.22 178.59 1krw h GLU 34 N 2.22 1.26 0.00 0.44 -0.00 -1.90 -2.85 114.58 113.75 1krw h GLU 34 Ca -0.33 -0.14 0.00 0.00 -0.00 0.00 0.00 59.36 58.89 1krw h GLU 34 Cb 1.25 -0.25 0.00 0.00 -0.00 0.00 0.00 28.75 29.75 1krw h GLU 34 CO 0.52 0.91 0.00 -1.71 -0.00 0.00 0.00 179.01 178.72 1krw n ASN 35 N -4.34 0.00 0.00 3.06 2.85 -1.23 -4.14 115.26 111.45 1krw n ASN 35 Ca 0.10 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.57 1krw n ASN 35 Cb 0.08 0.19 0.00 0.00 1.24 0.00 0.00 39.78 41.30 1krw n ASN 35 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1krw n GLY 36 N -1.22 -0.08 0.22 8.20 0.00 -1.26 -4.16 105.19 106.89 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 0.25 1.61 -0.00 -1.99 -3.05 115.58 112.40 1krw h ASN 37 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.30 1krw h ASN 37 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.31 1krw h ASN 37 CO 0.00 0.23 -0.18 -0.08 -0.00 0.00 0.00 177.43 177.40 1krw h GLU 38 N 0.00 -0.42 -0.46 6.67 4.22 -1.98 -2.32 114.58 120.29 1krw h GLU 38 Ca -0.00 0.03 0.09 0.00 0.08 0.00 0.00 59.36 59.56 1krw h GLU 38 Cb 0.47 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 29.73 1krw h GLU 38 CO 0.03 -0.28 -0.03 0.28 -2.18 0.00 0.00 179.01 176.83 1krw h VAL 39 N -0.43 0.61 -0.90 0.32 2.07 -1.92 -0.02 116.25 115.98 1krw h VAL 39 Ca -0.02 -0.03 0.22 0.00 0.82 0.00 0.00 66.70 67.69 1krw h VAL 39 Cb 0.37 0.52 -0.12 0.00 -1.52 0.00 0.00 31.29 30.55 1krw h VAL 39 CO 0.00 0.01 0.40 -0.07 0.02 0.00 0.00 177.57 177.94 1krw h LEU 40 N 0.08 0.35 -0.02 2.57 3.38 -1.49 0.80 115.31 120.98 1krw h LEU 40 Ca 0.23 0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.35 1krw h LEU 40 Cb 0.35 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1krw h LEU 40 CO -0.41 0.01 -0.01 0.00 0.09 0.00 0.00 178.44 178.13 1krw h ALA 41 N 1.70 0.03 0.00 1.53 0.00 -0.51 -2.88 119.26 119.14 1krw h ALA 41 Ca 0.56 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 1krw h ALA 41 Cb 1.05 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1krw h ALA 41 CO -0.52 -0.27 -0.10 0.00 0.00 0.00 0.00 179.25 178.36 1krw h ALA 42 N 0.63 1.47 0.00 0.00 0.00 0.06 -2.15 119.26 119.28 1krw h ALA 42 Ca 0.01 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1krw h ALA 42 Cb 0.40 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1krw h ALA 42 CO 0.00 0.13 -0.35 -0.07 0.00 0.00 0.00 179.25 178.96 1krw h LEU 43 N 0.00 0.00 -1.61 0.00 3.38 0.76 -3.07 115.31 114.77 1krw h LEU 43 Ca -0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1krw h LEU 43 Cb 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1krw h LEU 43 CO 0.01 0.35 0.50 0.00 0.09 0.00 0.00 178.44 179.39 1krw h ALA 44 N 1.65 1.63 0.00 1.53 0.00 -1.26 0.81 119.26 123.61 1krw h ALA 44 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1krw h ALA 44 Cb 0.75 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1krw h ALA 44 CO 0.04 -0.55 0.00 0.45 0.00 0.00 0.00 179.25 179.19 1krw n SER 45 N -2.95 1.15 -3.52 0.00 2.88 -1.16 -5.08 113.62 104.94 1krw n SER 45 Ca 0.01 -1.46 -0.10 0.00 -1.33 0.00 0.00 58.87 55.99 1krw n SER 45 Cb 0.57 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.99 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 -0.46 0.81 -0.14 -1.46 2.20 0.28 -5.15 119.74 115.82 1krw s LYS 46 Ca 0.00 -0.14 -0.04 0.00 -0.36 0.00 0.00 55.97 55.43 1krw s LYS 46 Cb 0.00 0.38 0.05 0.00 -1.51 0.00 0.00 37.83 36.75 1krw s LYS 46 CO 0.00 -0.32 0.07 0.99 -0.36 0.00 0.00 175.35 175.73 1krw s THR 47 N -2.45 0.01 0.86 3.43 2.01 -1.26 -4.01 115.64 114.22 1krw s THR 47 Ca 0.01 -0.08 -0.12 0.00 0.31 0.00 0.00 61.69 61.82 1krw s THR 47 Cb -0.01 -0.54 0.11 0.00 0.01 0.00 0.00 72.50 72.07 1krw s THR 47 CO -0.05 -0.15 1.10 -2.16 -0.69 0.00 0.00 174.62 172.67 1krw s PRO 48 N 2.10 1.55 0.40 4.92 0.04 -1.26 -4.95 135.00 137.80 1krw s PRO 48 Ca 0.02 0.74 0.22 0.00 0.04 0.00 0.00 61.00 62.02 1krw s PRO 48 Cb -0.15 -1.85 0.54 0.00 0.04 0.00 0.00 34.50 33.08 1krw s PRO 48 CO -0.07 -2.02 1.66 -0.44 0.04 0.00 0.00 177.00 176.17 1krw h ASP 49 N -1.38 0.00 -5.31 6.66 5.19 -0.03 -3.47 116.42 118.08 1krw h ASP 49 Ca -0.49 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 55.80 1krw h ASP 49 Cb 1.28 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 40.66 1krw h ASP 49 CO 0.57 0.22 -0.41 0.54 -3.12 0.00 0.00 179.24 177.04 1krw s VAL 50 N -3.31 0.07 -0.18 -1.35 0.11 -1.15 -4.27 120.40 110.32 1krw s VAL 50 Ca 0.04 -1.54 -0.14 0.00 -2.93 0.00 0.00 61.98 57.41 1krw s VAL 50 Cb 0.08 -1.92 0.05 0.00 -1.53 0.00 0.00 36.38 33.06 1krw s VAL 50 CO 0.67 -0.33 0.45 -0.22 -3.33 0.00 0.00 175.10 172.35 1krw s LEU 51 N -2.99 0.08 -0.18 2.54 2.96 -0.43 -2.56 118.68 118.09 1krw s LEU 51 Ca 0.20 0.94 0.01 0.00 -0.22 0.00 0.00 54.13 55.06 1krw s LEU 51 Cb 0.04 1.54 0.03 0.00 0.50 0.00 0.00 46.19 48.30 1krw s LEU 51 CO 0.01 -0.17 -0.14 -0.22 -1.32 0.00 0.00 176.35 174.50 1krw s LEU 52 N 0.68 2.16 -0.13 -0.68 0.20 -0.95 0.74 118.68 120.70 1krw s LEU 52 Ca -0.04 -0.75 -0.04 0.00 0.69 0.00 0.00 54.13 53.99 1krw s LEU 52 Cb -0.05 -1.31 -0.03 0.00 -0.43 0.00 0.00 46.19 44.37 1krw s LEU 52 CO -0.05 -0.08 0.02 -0.44 -0.29 0.00 0.00 176.35 175.51 1krw s SER 53 N 1.37 5.36 -0.02 3.68 0.01 0.12 -0.60 113.70 123.62 1krw s SER 53 Ca 0.02 0.09 0.03 0.00 1.31 0.00 0.00 55.95 57.39 1krw s SER 53 Cb -0.15 -1.75 0.12 0.00 0.21 0.00 0.00 66.02 64.45 1krw s SER 53 CO -0.10 0.27 0.85 -0.67 0.41 0.00 0.00 173.24 174.00 1krw n ASP 54 N 2.88 1.29 0.00 2.44 2.03 -0.67 -2.86 116.55 121.67 1krw n ASP 54 Ca -0.18 -2.09 0.00 0.00 0.52 0.00 0.00 54.79 53.04 1krw n ASP 54 Cb 0.53 -0.35 0.00 0.00 -0.72 0.00 0.00 41.12 40.58 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 -0.01 0.00 -3.81 5.18 3.06 -1.26 -4.80 119.36 117.72 1krw n ILE 55 Ca 0.04 0.00 -0.27 0.00 -2.50 0.00 0.00 62.75 60.02 1krw n ILE 55 Cb 0.28 0.00 0.03 0.00 0.54 0.00 0.00 39.64 40.49 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 0.00 -5.57 -3.66 9.51 0.63 -1.25 -3.26 116.66 113.06 1krw n ARG 56 Ca 0.00 0.63 -0.27 0.00 -0.92 0.00 0.00 57.85 57.29 1krw n ARG 56 Cb 0.00 -5.43 0.03 0.00 0.45 0.00 0.00 32.46 27.51 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 -4.58 -1.19 0.00 -0.14 0.00 -0.29 -4.95 117.12 105.97 1krw n MET 57 Ca -0.08 0.64 0.00 0.00 0.00 0.00 0.00 57.70 58.26 1krw n MET 57 Cb 0.58 -3.78 0.00 0.00 0.00 0.00 0.00 33.22 30.02 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 -3.56 0.00 -0.05 2.12 -0.04 -1.20 -4.64 135.00 127.63 1krw n PRO 58 Ca -0.13 0.09 -0.04 0.00 -0.04 0.00 0.00 63.50 63.38 1krw n PRO 58 Cb 0.60 -0.74 -0.08 0.00 -0.04 0.00 0.00 33.50 33.23 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 1.49 -0.52 2.53 0.55 0.00 -1.26 -4.82 105.19 103.16 1krw n GLY 59 Ca 0.00 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 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 0.87 0.00 1.61 0.00 -1.26 -4.94 117.12 111.09 1krw n MET 60 Ca -0.15 -2.38 0.00 0.00 -0.00 0.00 0.00 57.70 55.17 1krw n MET 60 Cb 0.76 -1.33 0.00 0.00 0.00 0.00 0.00 33.22 32.65 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 0.97 0.00 0.00 6.12 8.00 -1.26 -2.23 116.55 128.15 1krw n ASP 61 Ca 0.13 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.63 1krw n ASP 61 Cb 0.64 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 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 -0.66 2.01 0.19 0.44 0.00 -1.26 -1.14 105.19 104.77 1krw n GLY 62 Ca 0.00 -0.14 0.14 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.08 0.99 4.07 -1.83 -2.82 115.31 114.64 1krw h LEU 63 Ca 0.00 0.00 0.15 0.00 0.08 0.00 0.00 57.88 58.11 1krw h LEU 63 Cb 0.00 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 41.65 1krw h LEU 63 CO 0.00 0.00 0.62 0.00 -1.08 0.00 0.00 178.44 177.98 1krw h ALA 64 N 2.17 1.65 -0.79 1.53 0.00 -1.89 0.90 119.26 122.82 1krw h ALA 64 Ca 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1krw h ALA 64 Cb 0.44 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1krw h ALA 64 CO 0.00 0.07 0.38 -0.07 0.00 0.00 0.00 179.25 179.63 1krw h LEU 65 N 0.86 1.03 -0.61 0.00 3.38 -1.83 -2.34 115.31 115.79 1krw h LEU 65 Ca 0.51 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.38 1krw h LEU 65 Cb 0.67 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 1krw h LEU 65 CO -0.28 0.87 0.39 -0.07 0.09 0.00 0.00 178.44 179.44 1krw h LEU 66 N 1.13 0.64 -0.67 1.67 -0.00 -0.98 0.66 115.31 117.75 1krw h LEU 66 Ca 0.27 -0.00 0.04 0.00 -0.00 0.00 0.00 57.88 58.19 1krw h LEU 66 Cb 0.12 -0.14 -0.05 0.00 -0.00 0.00 0.00 40.66 40.59 1krw h LEU 66 CO -0.03 0.45 0.40 0.50 -0.00 0.00 0.00 178.44 179.76 1krw h LYS 67 N 0.77 0.75 -0.11 1.13 3.11 -0.92 0.71 116.57 122.02 1krw h LYS 67 Ca 0.24 -0.05 -0.22 0.00 -2.81 0.00 0.00 60.65 57.82 1krw h LYS 67 Cb -0.01 -0.17 0.01 0.00 -1.00 0.00 0.00 32.23 31.06 1krw h LYS 67 CO -0.09 0.50 -0.81 1.96 -2.81 0.00 0.00 179.45 178.20 1krw h GLN 68 N 0.78 0.66 -0.47 1.90 1.08 -0.94 -2.83 115.11 115.29 1krw h GLN 68 Ca 0.28 -0.57 -0.05 0.00 -1.45 0.00 0.00 58.65 56.87 1krw h GLN 68 Cb 0.08 0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 1krw h GLN 68 CO -0.13 1.18 0.11 0.82 -0.95 0.00 0.00 178.83 179.86 1krw h ILE 69 N 0.44 1.21 0.00 2.54 2.04 0.81 0.21 117.51 124.76 1krw h ILE 69 Ca -0.06 -0.76 -0.11 0.00 1.00 0.00 0.00 64.86 64.94 1krw h ILE 69 Cb 1.43 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 1krw h ILE 69 CO 0.16 0.28 -0.51 0.07 0.00 0.00 0.00 178.15 178.14 1krw h LYS 70 N 0.69 0.00 0.05 2.37 5.09 -0.88 0.28 116.57 124.17 1krw h LYS 70 Ca 0.16 0.00 -0.28 0.00 0.09 0.00 0.00 60.65 60.61 1krw h LYS 70 Cb 0.27 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 32.57 1krw h LYS 70 CO -0.00 0.51 -1.53 0.37 -2.09 0.00 0.00 179.45 176.71 1krw h GLN 71 N 0.00 0.10 0.00 0.07 -0.00 -1.15 -3.37 115.11 110.76 1krw h GLN 71 Ca -0.01 -0.17 -0.11 0.00 -0.00 0.00 0.00 58.65 58.36 1krw h GLN 71 Cb 1.16 0.06 -0.02 0.00 0.00 0.00 0.00 27.48 28.69 1krw h GLN 71 CO 0.07 0.85 -1.72 0.54 0.00 0.00 0.00 178.83 178.56 1krw n ARG 72 N -3.27 0.64 -4.62 1.69 1.74 0.70 -4.91 116.66 108.63 1krw n ARG 72 Ca -0.14 0.01 -0.34 0.00 -0.77 0.00 0.00 57.85 56.61 1krw n ARG 72 Cb 1.03 -1.66 -0.12 0.00 -1.02 0.00 0.00 32.46 30.69 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 -3.14 2.92 0.08 -1.55 3.76 0.98 -4.91 115.29 113.42 1krw s HIS 73 Ca -0.06 -0.21 -0.29 0.00 -0.15 0.00 0.00 55.06 54.35 1krw s HIS 73 Cb 0.10 -1.80 -0.17 0.00 1.11 0.00 0.00 32.58 31.82 1krw s HIS 73 CO 0.85 0.11 1.66 -1.35 -0.85 0.00 0.00 174.74 175.16 1krw h PRO 74 N 5.95 -0.58 -0.05 8.40 0.11 -1.84 -3.41 132.00 140.57 1krw h PRO 74 Ca -0.39 0.04 -0.17 0.00 0.11 0.00 0.00 66.00 65.59 1krw h PRO 74 Cb 1.18 0.13 -0.19 0.00 0.11 0.00 0.00 31.00 32.24 1krw h PRO 74 CO 0.56 -0.38 -0.42 -1.33 -0.21 0.00 0.00 178.00 176.21 1krw n MET 75 N -5.35 0.97 -2.23 1.05 2.81 -1.26 -4.87 117.12 108.24 1krw n MET 75 Ca -0.11 -1.47 -0.42 0.00 -1.81 0.00 0.00 57.70 53.88 1krw n MET 75 Cb 0.26 0.18 -0.03 0.00 -0.71 0.00 0.00 33.22 32.92 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 -2.74 4.27 -0.04 4.03 0.20 -1.26 -4.71 118.68 118.43 1krw s LEU 76 Ca 0.10 2.00 -0.30 0.00 0.69 0.00 0.00 54.13 56.63 1krw s LEU 76 Cb 0.31 -3.54 -0.05 0.00 -0.43 0.00 0.00 46.19 42.47 1krw s LEU 76 CO -0.09 -0.80 1.55 -2.84 -0.29 0.00 0.00 176.35 173.88 1krw s PRO 77 N 3.29 4.21 -0.09 0.98 0.02 -1.25 -4.21 135.00 137.95 1krw s PRO 77 Ca 0.64 2.09 -0.07 0.00 0.02 0.00 0.00 61.00 63.67 1krw s PRO 77 Cb -0.29 -3.81 -0.04 0.00 0.02 0.00 0.00 34.50 30.38 1krw s PRO 77 CO 0.23 -0.75 0.18 0.08 -0.33 0.00 0.00 177.00 176.41 1krw s VAL 78 N 3.41 5.44 -0.22 3.83 1.01 -1.26 -1.32 120.40 131.29 1krw s VAL 78 Ca 0.69 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.89 1krw s VAL 78 Cb -0.32 -3.46 0.06 0.00 0.00 0.00 0.00 36.38 32.66 1krw s VAL 78 CO 0.27 0.56 -0.04 -0.63 0.00 0.00 0.00 175.10 175.26 1krw s ILE 79 N -1.09 1.37 -0.08 2.22 1.01 0.23 -0.79 121.20 124.07 1krw s ILE 79 Ca 0.18 -1.07 -0.05 0.00 0.00 0.00 0.00 60.65 59.71 1krw s ILE 79 Cb -0.13 -1.65 -0.04 0.00 0.01 0.00 0.00 42.46 40.66 1krw s ILE 79 CO 0.07 -0.08 0.13 -0.63 0.00 0.00 0.00 174.94 174.43 1krw s ILE 80 N 1.48 5.29 0.01 2.92 -1.09 -1.13 0.14 121.20 128.82 1krw s ILE 80 Ca -0.04 0.00 -0.25 0.00 -2.23 0.00 0.00 60.65 58.13 1krw s ILE 80 Cb -0.18 -3.35 -0.16 0.00 -1.58 0.00 0.00 42.46 37.19 1krw s ILE 80 CO -0.07 0.52 1.18 0.00 -1.23 0.00 0.00 174.94 175.34 1krw h MET 81 N 4.61 -0.57 -5.25 2.79 -0.00 -1.83 0.38 114.93 115.05 1krw h MET 81 Ca -0.52 0.04 -0.39 0.00 -0.00 0.00 0.00 59.70 58.83 1krw h MET 81 Cb 1.21 0.13 -0.20 0.00 -0.00 0.00 0.00 31.60 32.74 1krw h MET 81 CO 0.61 -0.27 -0.76 0.99 -0.00 0.00 0.00 176.91 177.48 1krw s THR 82 N -4.64 1.11 -0.45 -0.10 2.01 -1.25 -1.92 115.64 110.40 1krw s THR 82 Ca -0.14 -1.46 0.04 0.00 0.31 0.00 0.00 61.69 60.44 1krw s THR 82 Cb 0.02 -1.22 0.43 0.00 0.01 0.00 0.00 72.50 71.73 1krw s THR 82 CO 0.49 -0.35 1.29 0.00 -0.69 0.00 0.00 174.62 175.37 1krw n ALA 83 N 0.96 5.28 -1.04 7.40 0.00 -1.26 -4.86 120.51 126.99 1krw n ALA 83 Ca -0.19 -4.08 -0.26 0.00 0.00 0.00 0.00 53.44 48.91 1krw n ALA 83 Cb 0.56 -0.70 -0.07 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 -0.59 1.39 -2.08 0.00 1.44 -1.26 -4.75 115.22 109.37 1krw n HIS 84 Ca 0.44 -2.25 0.00 0.00 -2.01 0.00 0.00 57.72 53.89 1krw n HIS 84 Cb 0.72 -1.97 0.00 0.00 0.12 0.00 0.00 29.99 28.86 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 3.37 0.00 -4.56 4.39 7.64 -1.26 -5.07 113.62 118.13 1krw n SER 85 Ca 0.58 -0.06 -0.23 0.00 1.01 0.00 0.00 58.87 60.17 1krw n SER 85 Cb 0.40 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.54 1krw n SER 85 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1krw s ASP 86 N 1.79 4.75 0.65 6.43 -1.08 -1.26 -4.78 116.67 123.17 1krw s ASP 86 Ca 0.00 -0.45 0.14 0.00 -0.52 0.00 0.00 52.55 51.73 1krw s ASP 86 Cb 0.00 -2.56 0.69 0.00 -1.46 0.00 0.00 42.92 39.59 1krw s ASP 86 CO 0.00 -3.10 1.36 0.25 0.52 0.00 0.00 175.17 174.20 1krw h LEU 87 N 19.33 0.00 -0.44 -1.34 7.12 -1.98 -2.25 115.31 135.74 1krw h LEU 87 Ca 0.07 0.00 0.09 0.00 0.13 0.00 0.00 57.88 58.16 1krw h LEU 87 Cb 1.00 0.00 -0.10 0.00 -0.53 0.00 0.00 40.66 41.04 1krw h LEU 87 CO 1.15 0.00 -0.30 0.44 -0.13 0.00 0.00 178.44 179.60 1krw h ASP 88 N 0.00 -0.99 0.58 1.25 5.19 -2.00 0.27 116.42 120.72 1krw h ASP 88 Ca 0.10 0.19 -0.01 0.00 -0.62 0.00 0.00 57.03 56.68 1krw h ASP 88 Cb 1.74 0.49 -0.00 0.00 0.18 0.00 0.00 39.33 41.73 1krw h ASP 88 CO -0.00 -0.30 -0.07 0.00 -3.12 0.00 0.00 179.24 175.76 1krw h ALA 89 N 0.92 1.10 0.05 3.45 0.00 -1.79 -2.50 119.26 120.48 1krw h ALA 89 Ca 0.19 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.84 1krw h ALA 89 Cb 0.52 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.32 1krw h ALA 89 CO -0.56 0.08 -0.82 0.00 0.00 0.00 0.00 179.25 177.95 1krw h ALA 90 N 1.93 0.04 -0.63 0.00 0.00 -0.73 -2.75 119.26 117.12 1krw h ALA 90 Ca -0.00 -0.65 -0.06 0.00 0.00 0.00 0.00 54.91 54.20 1krw h ALA 90 Cb 0.37 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1krw h ALA 90 CO 0.01 0.46 0.14 0.28 0.00 0.00 0.00 179.25 180.15 1krw h VAL 91 N -0.01 1.26 -0.57 0.00 2.07 -0.61 -2.29 116.25 116.09 1krw h VAL 91 Ca -0.12 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.45 1krw h VAL 91 Cb 1.54 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 1krw h VAL 91 CO 0.16 0.35 0.32 0.28 0.02 0.00 0.00 177.57 178.70 1krw h SER 92 N 0.93 0.70 -0.58 0.57 0.02 -1.53 -2.23 113.55 111.43 1krw h SER 92 Ca 0.20 -0.05 0.07 0.00 -0.84 0.00 0.00 61.79 61.17 1krw h SER 92 Cb 0.37 -0.18 -0.06 0.00 0.14 0.00 0.00 62.40 62.68 1krw h SER 92 CO 0.00 0.56 0.26 0.00 -1.14 0.00 0.00 176.83 176.52 1krw h ALA 93 N 1.56 0.75 -0.24 3.77 0.00 -1.10 0.14 119.26 124.13 1krw h ALA 93 Ca 0.20 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.23 1krw h ALA 93 Cb 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1krw h ALA 93 CO -0.03 -0.11 0.30 1.88 0.00 0.00 0.00 179.25 181.28 1krw h TYR 94 N 0.49 0.00 -0.22 0.00 0.05 -1.24 0.13 116.97 116.18 1krw h TYR 94 Ca 0.27 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.86 1krw h TYR 94 Cb 0.24 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.99 1krw h TYR 94 CO -0.12 0.00 -0.60 -0.56 -1.05 0.00 0.00 178.16 175.83 1krw h GLN 95 N 0.00 0.79 0.00 4.88 3.07 -0.72 -3.09 115.11 120.03 1krw h GLN 95 Ca 0.12 -0.56 0.00 0.00 0.09 0.00 0.00 58.65 58.30 1krw h GLN 95 Cb 0.71 0.09 0.00 0.00 0.08 0.00 0.00 27.48 28.35 1krw h GLN 95 CO -0.00 1.18 0.00 -0.56 0.09 0.00 0.00 178.83 179.54 1krw h GLN 96 N 0.53 0.00 0.00 0.06 3.07 -0.66 -3.46 115.11 114.65 1krw h GLN 96 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.73 1krw h GLN 96 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.78 1krw h GLN 96 CO 0.13 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.46 1krw n GLY 97 N 0.71 0.64 3.42 0.06 0.00 -0.61 -4.06 105.19 105.35 1krw n GLY 97 Ca 0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.05 -0.06 4.61 0.00 -0.25 -3.85 120.51 118.91 1krw n ALA 98 Ca 0.00 0.24 -0.08 0.00 0.00 0.00 0.00 53.44 53.60 1krw n ALA 98 Cb 0.00 -1.69 -0.07 0.00 0.00 0.00 0.00 19.45 17.69 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 0.87 0.00 0.00 0.00 3.57 -1.23 -3.40 116.94 116.75 1krw h PHE 99 Ca -0.36 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.14 1krw h PHE 99 Cb 1.41 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.15 1krw h PHE 99 CO 0.37 0.56 0.00 -0.25 -2.23 0.00 0.00 178.31 176.76 1krw n ASP 100 N -4.68 0.00 -4.46 0.41 9.92 -1.18 -5.03 116.55 111.54 1krw n ASP 100 Ca -0.06 0.00 -0.28 0.00 -0.53 0.00 0.00 54.79 53.92 1krw n ASP 100 Cb 0.27 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.64 1krw n ASP 100 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1krw s TYR 101 N -3.00 2.41 -0.03 1.24 1.51 -1.26 -2.83 117.35 115.39 1krw s TYR 101 Ca 0.00 -0.32 -0.02 0.00 -1.01 0.00 0.00 57.07 55.72 1krw s TYR 101 Cb 0.00 -1.23 -0.04 0.00 -0.11 0.00 0.00 41.96 40.58 1krw s TYR 101 CO 0.00 0.45 0.12 -1.17 -1.11 0.00 0.00 175.55 173.84 1krw s LEU 102 N -2.48 4.09 0.00 -1.29 2.96 0.12 -4.97 118.68 117.12 1krw s LEU 102 Ca 0.20 0.25 0.00 0.00 -0.22 0.00 0.00 54.13 54.36 1krw s LEU 102 Cb -0.09 -2.33 0.00 0.00 0.50 0.00 0.00 46.19 44.27 1krw s LEU 102 CO 0.10 0.29 0.00 -0.81 -1.32 0.00 0.00 176.35 174.61 1krw n PRO 103 N 1.27 0.97 -0.32 0.98 -0.04 -1.26 -3.92 135.00 132.68 1krw n PRO 103 Ca -0.14 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.30 1krw n PRO 103 Cb 0.53 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.02 1krw n PRO 103 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1krw h LYS 104 N 0.00 -0.06 -7.17 0.54 6.56 -2.00 -3.42 116.57 111.02 1krw h LYS 104 Ca 0.00 0.00 -0.53 0.00 -1.06 0.00 0.00 60.65 59.06 1krw h LYS 104 Cb 0.00 0.01 0.19 0.00 -0.57 0.00 0.00 32.23 31.86 1krw h LYS 104 CO 0.00 -0.04 0.24 -0.35 -2.06 0.00 0.00 179.45 177.24 1krw n PRO 105 N -5.46 0.05 0.00 3.15 -0.04 -1.26 -4.98 135.00 126.46 1krw n PRO 105 Ca 0.08 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 1krw n PRO 105 Cb 0.39 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 1krw n PRO 105 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1krw n PHE 106 N -3.44 0.00 -0.39 0.54 3.72 -1.26 -4.92 117.46 111.70 1krw n PHE 106 Ca 0.13 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.57 1krw n PHE 106 Cb 0.51 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.04 1krw n PHE 106 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1krw n ASP 107 N 0.00 -2.04 0.16 4.37 5.68 -1.26 -1.67 116.55 121.80 1krw n ASP 107 Ca 0.00 0.36 -0.14 0.00 -0.50 0.00 0.00 54.79 54.51 1krw n ASP 107 Cb 0.00 -1.36 -0.08 0.00 -1.14 0.00 0.00 41.12 38.54 1krw n ASP 107 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1krw h ILE 108 N -0.31 0.74 -0.41 2.12 6.09 -1.98 0.24 117.51 124.01 1krw h ILE 108 Ca 0.01 -0.38 0.08 0.00 -1.37 0.00 0.00 64.86 63.20 1krw h ILE 108 Cb 0.30 0.95 -0.09 0.00 0.47 0.00 0.00 36.82 38.45 1krw h ILE 108 CO 0.00 0.08 -0.25 0.44 -3.07 0.00 0.00 178.15 175.35 1krw h ASP 109 N -0.60 -0.85 1.13 2.19 5.19 -1.98 0.87 116.42 122.36 1krw h ASP 109 Ca -0.04 0.17 -0.17 0.00 -0.62 0.00 0.00 57.03 56.37 1krw h ASP 109 Cb 0.43 0.43 -0.03 0.00 0.18 0.00 0.00 39.33 40.35 1krw h ASP 109 CO 0.07 -0.27 -0.89 -0.33 -3.12 0.00 0.00 179.24 174.69 1krw h GLU 110 N -0.18 0.00 0.10 3.56 4.39 -1.47 -2.70 114.58 118.28 1krw h GLU 110 Ca 0.19 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.89 1krw h GLU 110 Cb 0.49 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1krw h GLU 110 CO -0.51 0.72 -0.05 0.00 -1.16 0.00 0.00 179.01 178.01 1krw h ALA 111 N 1.22 -0.13 -0.14 3.43 0.00 0.42 -2.70 119.26 121.36 1krw h ALA 111 Ca -0.04 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.68 1krw h ALA 111 Cb 1.63 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 1krw h ALA 111 CO 0.10 -0.17 0.10 0.28 0.00 0.00 0.00 179.25 179.56 1krw h VAL 112 N -0.95 0.96 -0.30 0.00 2.07 0.60 -1.13 116.25 117.50 1krw h VAL 112 Ca -0.01 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1krw h VAL 112 Cb 0.48 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1krw h VAL 112 CO 0.02 0.01 0.15 0.00 0.02 0.00 0.00 177.57 177.78 1krw h ALA 113 N 1.92 0.38 0.00 1.67 0.00 -1.51 -0.21 119.26 121.52 1krw h ALA 113 Ca 0.06 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1krw h ALA 113 Cb 0.18 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1krw h ALA 113 CO -0.01 -0.07 -0.38 1.25 0.00 0.00 0.00 179.25 180.04 1krw h LEU 114 N 0.35 0.00 0.22 0.00 5.85 -0.90 -2.59 115.31 118.24 1krw h LEU 114 Ca 0.10 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.50 1krw h LEU 114 Cb 0.09 0.00 0.04 0.00 0.37 0.00 0.00 40.66 41.16 1krw h LEU 114 CO -0.01 0.38 -1.41 1.62 -0.34 0.00 0.00 178.44 178.67 1krw h VAL 115 N 0.00 1.28 -0.33 1.05 3.04 -0.96 -3.24 116.25 117.09 1krw h VAL 115 Ca -0.00 -2.63 -0.07 0.00 -1.01 0.00 0.00 66.70 62.99 1krw h VAL 115 Cb 0.86 2.94 -0.01 0.00 -2.01 0.00 0.00 31.29 33.08 1krw h VAL 115 CO 0.05 0.79 -0.07 -0.33 -1.01 0.00 0.00 177.57 177.00 1krw h GLU 116 N 0.19 0.63 0.00 4.17 5.08 -1.02 -2.65 114.58 120.97 1krw h GLU 116 Ca -0.24 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1krw h GLU 116 Cb 2.10 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 31.31 1krw h GLU 116 CO 0.27 0.80 -0.00 0.07 -1.00 0.00 0.00 179.01 179.15 1krw h ARG 117 N 0.41 0.00 0.00 2.33 0.11 -1.59 0.15 114.38 115.80 1krw h ARG 117 Ca 0.08 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.16 1krw h ARG 117 Cb 0.56 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.64 1krw h ARG 117 CO 0.03 0.00 -0.00 0.00 0.10 0.00 0.00 179.97 180.10 1krw h ALA 118 N 2.00 -0.01 -0.18 0.08 0.00 -1.50 -2.20 119.26 117.46 1krw h ALA 118 Ca -0.00 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.48 1krw h ALA 118 Cb 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1krw h ALA 118 CO 0.00 -0.20 -0.43 0.82 0.00 0.00 0.00 179.25 179.44 1krw h ILE 119 N -0.61 1.31 -0.70 0.00 2.04 -1.26 -3.01 117.51 115.28 1krw h ILE 119 Ca -0.00 -1.61 -0.05 0.00 1.00 0.00 0.00 64.86 64.20 1krw h ILE 119 Cb 0.61 1.65 -0.03 0.00 -0.74 0.00 0.00 36.82 38.30 1krw h ILE 119 CO 0.00 0.49 0.24 -1.28 0.00 0.00 0.00 178.15 177.61 1krw h SER 120 N 0.35 0.99 0.11 1.72 0.87 -0.76 -2.20 113.55 114.62 1krw h SER 120 Ca 0.03 -0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 60.40 1krw h SER 120 Cb 0.91 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.61 1krw h SER 120 CO 0.08 0.91 -0.10 0.45 -0.53 0.00 0.00 176.83 177.63 1krw h HIS 121 N 1.03 0.00 0.07 2.24 3.86 -1.25 -2.99 115.15 118.11 1krw h HIS 121 Ca 0.23 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.44 1krw h HIS 121 Cb 0.25 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.73 1krw h HIS 121 CO 0.02 0.10 -0.03 1.88 0.86 0.00 0.00 177.93 180.76 1krw h TYR 122 N 0.00 -0.08 -4.26 2.45 0.05 -1.42 -3.46 116.97 110.25 1krw h TYR 122 Ca -0.00 -0.00 -0.46 0.00 0.05 0.00 0.00 58.73 58.32 1krw h TYR 122 Cb 0.18 0.03 0.13 0.00 1.01 0.00 0.00 36.73 38.08 1krw h TYR 122 CO 0.00 0.48 0.31 -1.14 -1.05 0.00 0.00 178.16 176.76 1krw s GLN 123 N -2.85 1.17 0.00 4.88 2.00 -0.90 -5.14 119.66 118.82 1krw s GLN 123 Ca -0.13 0.27 0.00 0.00 -2.00 0.00 0.00 55.36 53.50 1krw s GLN 123 Cb -0.01 -1.84 0.00 0.00 0.80 0.00 0.00 33.01 31.96 1krw s GLN 123 CO 0.50 -2.17 0.00 0.39 -0.50 0.00 0.00 175.29 173.51