#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 3.44 0.25 0.03 -0.21 -1.26 -4.97 119.66 116.93 1krw s GLN 2 Ca 0.00 -0.37 0.17 0.00 0.02 0.00 0.00 55.36 55.18 1krw s GLN 2 Cb 0.00 -3.07 0.92 0.00 1.00 0.00 0.00 33.01 31.85 1krw s GLN 2 CO 0.00 0.65 1.54 2.89 -2.12 0.00 0.00 175.29 178.24 1krw n ARG 3 N 0.67 0.11 -0.80 2.91 1.85 -1.26 -4.88 116.66 115.26 1krw n ARG 3 Ca -0.08 0.58 0.00 0.00 -1.00 0.00 0.00 57.85 57.35 1krw n ARG 3 Cb 0.52 -1.85 0.00 0.00 -1.05 0.00 0.00 32.46 30.08 1krw n ARG 3 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1krw n GLY 4 N -1.17 -1.55 3.42 2.89 0.00 -1.26 -4.57 105.19 102.94 1krw n GLY 4 Ca -0.01 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.11 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 4.38 -0.15 -0.61 1.09 -1.26 -0.95 121.20 123.69 1krw s ILE 5 Ca 0.00 -0.44 -0.05 0.00 -1.10 0.00 0.00 60.65 59.06 1krw s ILE 5 Cb 0.00 -3.20 -0.03 0.00 -1.06 0.00 0.00 42.46 38.16 1krw s ILE 5 CO 0.00 0.12 -0.00 0.54 -0.10 0.00 0.00 174.94 175.50 1krw s VAL 6 N 1.58 4.21 0.00 2.92 0.11 0.25 0.07 120.40 129.54 1krw s VAL 6 Ca 0.04 -0.25 0.07 0.00 -2.93 0.00 0.00 61.98 58.91 1krw s VAL 6 Cb -0.17 -2.85 -0.03 0.00 -1.53 0.00 0.00 36.38 31.80 1krw s VAL 6 CO 0.05 0.50 -0.21 0.26 -3.33 0.00 0.00 175.10 172.37 1krw s TRP 7 N 0.19 2.49 0.03 1.54 0.52 -0.93 -1.51 118.94 121.26 1krw s TRP 7 Ca 0.00 -0.31 0.03 0.00 0.02 0.00 0.00 56.10 55.84 1krw s TRP 7 Cb -0.13 -1.50 -0.02 0.00 -1.15 0.00 0.00 33.47 30.67 1krw s TRP 7 CO 0.02 0.13 -0.09 0.08 0.02 0.00 0.00 176.95 177.11 1krw s VAL 8 N -0.76 0.67 -0.25 4.03 1.01 0.25 -1.32 120.40 124.02 1krw s VAL 8 Ca 0.12 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 1krw s VAL 8 Cb -0.10 -0.64 0.08 0.00 0.00 0.00 0.00 36.38 35.71 1krw s VAL 8 CO 0.02 -0.10 0.04 0.68 0.00 0.00 0.00 175.10 175.74 1krw s VAL 9 N -0.80 0.91 -0.42 2.92 -7.23 0.43 -0.20 120.40 116.01 1krw s VAL 9 Ca -0.03 -1.06 0.04 0.00 -1.81 0.00 0.00 61.98 59.12 1krw s VAL 9 Cb -0.07 -1.47 0.27 0.00 0.56 0.00 0.00 36.38 35.67 1krw s VAL 9 CO 0.00 -0.38 1.09 -0.67 -0.31 0.00 0.00 175.10 174.83 1krw n ASP 10 N 4.88 -2.18 0.00 4.85 -0.08 -1.05 -1.96 116.55 121.00 1krw n ASP 10 Ca -0.07 -2.81 0.00 0.00 -1.51 0.00 0.00 54.79 50.41 1krw n ASP 10 Cb 0.44 1.48 0.00 0.00 2.34 0.00 0.00 41.12 45.38 1krw n ASP 10 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1krw n ASP 11 N 1.24 0.00 0.00 1.67 2.03 -1.16 -4.29 116.55 116.04 1krw n ASP 11 Ca 0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.36 1krw n ASP 11 Cb 0.68 -0.41 0.00 0.00 -0.72 0.00 0.00 41.12 40.67 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 0.00 -1.27 0.00 1.67 -0.08 -1.14 -4.62 116.55 111.10 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 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 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 -3.03 0.00 0.11 1.67 2.88 -1.26 -1.20 113.62 112.79 1krw n SER 13 Ca 0.00 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.47 1krw n SER 13 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1krw n SER 13 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1krw h SER 14 N 0.00 -0.58 0.04 -3.46 0.02 -1.91 0.10 113.55 107.77 1krw h SER 14 Ca 0.00 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1krw h SER 14 Cb 0.00 0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.73 1krw h SER 14 CO 0.00 -0.27 -0.00 0.40 -1.14 0.00 0.00 176.83 175.82 1krw h ILE 15 N -0.40 0.06 0.39 3.27 1.08 -1.34 -2.75 117.51 117.81 1krw h ILE 15 Ca -0.02 -0.03 -0.02 0.00 -0.39 0.00 0.00 64.86 64.40 1krw h ILE 15 Cb 0.35 1.02 0.00 0.00 -3.07 0.00 0.00 36.82 35.13 1krw h ILE 15 CO -0.04 0.00 -0.19 -0.09 -0.69 0.00 0.00 178.15 177.15 1krw h ARG 16 N 0.00 -0.50 -0.99 2.37 2.43 -1.17 -2.88 114.38 113.64 1krw h ARG 16 Ca -0.00 0.03 0.14 0.00 -0.81 0.00 0.00 59.98 59.34 1krw h ARG 16 Cb 0.02 0.11 -0.09 0.00 -0.42 0.00 0.00 29.97 29.60 1krw h ARG 16 CO 0.00 -0.22 0.62 2.35 -1.51 0.00 0.00 179.97 181.21 1krw h TRP 17 N -1.03 1.10 0.44 2.20 7.01 -0.72 0.57 115.95 125.51 1krw h TRP 17 Ca -0.05 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.96 1krw h TRP 17 Cb 0.51 -0.35 0.00 0.00 -2.10 0.00 0.00 29.16 27.23 1krw h TRP 17 CO 0.02 0.40 -0.21 0.28 -2.79 0.00 0.00 178.44 176.14 1krw h VAL 18 N 0.92 0.56 0.00 2.65 2.07 -1.58 -3.05 116.25 117.83 1krw h VAL 18 Ca 0.51 -0.19 -0.06 0.00 0.82 0.00 0.00 66.70 67.78 1krw h VAL 18 Cb 0.59 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1krw h VAL 18 CO -0.28 0.04 -0.50 0.25 0.02 0.00 0.00 177.57 177.09 1krw h LEU 19 N -0.70 0.00 0.48 2.57 5.85 -1.27 -3.20 115.31 119.05 1krw h LEU 19 Ca -0.06 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1krw h LEU 19 Cb 0.51 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1krw h LEU 19 CO 0.10 0.24 -0.23 1.05 -0.34 0.00 0.00 178.44 179.26 1krw h GLU 20 N 0.00 -0.62 -0.01 1.25 4.11 0.09 -1.66 114.58 117.74 1krw h GLU 20 Ca -0.02 0.04 -0.00 0.00 0.07 0.00 0.00 59.36 59.45 1krw h GLU 20 Cb 1.20 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.59 1krw h GLU 20 CO 0.03 -0.33 0.01 0.00 0.07 0.00 0.00 179.01 178.79 1krw h ARG 21 N -1.03 0.02 -0.32 1.06 2.47 -1.70 0.15 114.38 115.03 1krw h ARG 21 Ca -0.07 -0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.68 1krw h ARG 21 Cb 0.58 -0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.87 1krw h ARG 21 CO 0.11 0.18 0.15 0.00 0.56 0.00 0.00 179.97 180.97 1krw h ALA 22 N 0.84 0.39 0.00 0.04 0.00 -1.66 -0.58 119.26 118.28 1krw h ALA 22 Ca 0.00 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1krw h ALA 22 Cb 0.17 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1krw h ALA 22 CO -0.00 -0.24 -0.29 1.25 0.00 0.00 0.00 179.25 179.97 1krw h LEU 23 N 0.31 0.00 -0.93 0.00 5.85 -1.28 -2.36 115.31 116.90 1krw h LEU 23 Ca 0.14 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.75 1krw h LEU 23 Cb 0.07 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1krw h LEU 23 CO -0.11 0.29 -0.33 0.00 -0.34 0.00 0.00 178.44 177.95 1krw h ALA 24 N 1.71 1.10 0.00 1.25 0.00 0.42 -1.81 119.26 121.93 1krw h ALA 24 Ca -0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 1krw h ALA 24 Cb 0.78 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1krw h ALA 24 CO 0.04 0.57 -0.13 0.78 0.00 0.00 0.00 179.25 180.50 1krw h GLY 25 N 1.09 0.00 2.00 0.00 0.00 -0.59 -0.73 103.07 104.83 1krw h GLY 25 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1krw h GLY 25 CO 0.06 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.60 1krw h ALA 26 N 1.87 1.00 0.00 3.60 0.00 -1.30 -3.47 119.26 120.96 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 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 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 0.85 1.52 3.51 0.00 0.00 -0.28 -5.11 105.19 105.68 1krw n GLY 27 Ca 0.04 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 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 2.55 -0.50 0.99 1.02 -1.17 -4.76 118.68 116.80 1krw s LEU 28 Ca 0.00 -1.31 -0.19 0.00 0.02 0.00 0.00 54.13 52.65 1krw s LEU 28 Cb 0.00 -0.68 0.06 0.00 0.02 0.00 0.00 46.19 45.58 1krw s LEU 28 CO 0.00 -0.44 0.60 -0.89 0.02 0.00 0.00 176.35 175.64 1krw s THR 29 N -2.96 4.91 -0.37 5.49 2.01 -0.13 -4.24 115.64 120.36 1krw s THR 29 Ca 0.34 -0.53 -0.13 0.00 0.31 0.00 0.00 61.69 61.68 1krw s THR 29 Cb 0.07 -4.28 0.00 0.00 0.01 0.00 0.00 72.50 68.31 1krw s THR 29 CO 0.16 -0.77 0.26 0.00 -0.69 0.00 0.00 174.62 173.57 1krw s THR 31 N 1.68 2.13 0.23 0.00 -1.32 -0.57 -4.74 115.64 113.05 1krw s THR 31 Ca 0.05 -1.41 0.11 0.00 -1.21 0.00 0.00 61.69 59.23 1krw s THR 31 Cb -0.18 -1.82 -0.05 0.00 -1.51 0.00 0.00 72.50 68.94 1krw s THR 31 CO 0.10 0.34 -0.20 0.42 -2.21 0.00 0.00 174.62 173.07 1krw s THR 32 N -0.82 2.26 0.30 5.08 -4.23 -1.25 0.84 115.64 117.83 1krw s THR 32 Ca 0.12 -2.23 0.03 0.00 -1.18 0.00 0.00 61.69 58.43 1krw s THR 32 Cb -0.10 -2.16 -0.04 0.00 1.34 0.00 0.00 72.50 71.54 1krw s THR 32 CO 0.02 -0.35 0.16 -0.36 -0.54 0.00 0.00 174.62 173.56 1krw s PHE 33 N -2.31 1.58 0.38 3.99 0.40 0.72 -4.91 117.98 117.84 1krw s PHE 33 Ca 0.25 -1.38 0.08 0.00 -0.60 0.00 0.00 56.93 55.28 1krw s PHE 33 Cb -0.05 -0.84 0.78 0.00 0.51 0.00 0.00 43.02 43.42 1krw s PHE 33 CO 0.12 -0.54 1.94 1.05 0.70 0.00 0.00 175.22 178.49 1krw h GLU 34 N 2.24 0.36 -1.98 0.44 9.09 -1.88 -2.76 114.58 120.09 1krw h GLU 34 Ca -0.33 -0.06 0.39 0.00 0.05 0.00 0.00 59.36 59.40 1krw h GLU 34 Cb 1.25 -0.06 -0.08 0.00 -1.65 0.00 0.00 28.75 28.21 1krw h GLU 34 CO 0.52 0.40 0.97 1.21 0.05 0.00 0.00 179.01 182.16 1krw s ASN 35 N -6.82 0.00 0.66 3.06 3.84 -1.26 -3.01 114.94 111.41 1krw s ASN 35 Ca -0.07 -0.08 0.27 0.00 0.21 0.00 0.00 52.86 53.19 1krw s ASN 35 Cb 0.16 0.06 1.46 0.00 -0.55 0.00 0.00 41.25 42.38 1krw s ASN 35 CO 0.74 -0.12 1.82 1.23 -2.79 0.00 0.00 177.10 177.98 1krw h GLY 36 N 2.00 0.00 0.54 1.21 0.00 -1.88 -1.74 103.07 103.20 1krw h GLY 36 Ca -0.21 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 1krw h GLY 36 CO 0.30 0.00 -0.02 -0.57 0.00 0.00 0.00 176.54 176.25 1krw h ASN 37 N 0.00 -0.06 -0.30 0.19 -0.00 -1.94 -3.17 115.58 110.31 1krw h ASN 37 Ca 0.00 -0.41 0.07 0.00 -0.00 0.00 0.00 56.30 55.95 1krw h ASN 37 Cb 0.79 0.01 -0.07 0.00 -0.00 0.00 0.00 38.32 39.06 1krw h ASN 37 CO 0.00 0.39 -0.17 -0.08 -0.00 0.00 0.00 177.43 177.57 1krw h GLU 38 N -0.52 -0.13 -0.90 6.67 4.81 -1.70 0.58 114.58 123.38 1krw h GLU 38 Ca -0.01 0.01 0.23 0.00 -0.13 0.00 0.00 59.36 59.46 1krw h GLU 38 Cb 0.47 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.82 1krw h GLU 38 CO 0.01 -0.09 0.62 0.28 -0.73 0.00 0.00 179.01 179.10 1krw h VAL 39 N -0.14 0.61 -0.34 0.32 2.07 -1.63 0.14 116.25 117.28 1krw h VAL 39 Ca 0.16 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.63 1krw h VAL 39 Cb 0.38 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 1krw h VAL 39 CO -0.38 0.04 0.17 -0.07 0.02 0.00 0.00 177.57 177.34 1krw h LEU 40 N 0.21 0.24 -0.02 2.57 3.38 -0.85 0.87 115.31 121.71 1krw h LEU 40 Ca 0.45 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.43 1krw h LEU 40 Cb 1.43 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.15 1krw h LEU 40 CO -0.10 0.18 -0.02 0.00 0.09 0.00 0.00 178.44 178.58 1krw h ALA 41 N 1.18 0.03 -0.20 1.53 0.00 -0.70 -3.09 119.26 118.01 1krw h ALA 41 Ca 0.14 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1krw h ALA 41 Cb 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1krw h ALA 41 CO -0.10 -0.19 0.08 0.00 0.00 0.00 0.00 179.25 179.04 1krw h ALA 42 N 0.49 1.78 0.00 0.00 0.00 -0.89 -1.74 119.26 118.90 1krw h ALA 42 Ca 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1krw h ALA 42 Cb 0.55 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1krw h ALA 42 CO 0.01 0.18 -0.22 -0.07 0.00 0.00 0.00 179.25 179.15 1krw h LEU 43 N 0.27 0.00 -2.14 0.00 3.38 0.81 -2.94 115.31 114.69 1krw h LEU 43 Ca 0.07 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.05 1krw h LEU 43 Cb 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1krw h LEU 43 CO -0.01 0.22 0.29 0.00 0.09 0.00 0.00 178.44 179.04 1krw h ALA 44 N 1.78 1.34 0.00 1.53 0.00 -1.23 -0.84 119.26 121.84 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 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1krw h ALA 44 CO 0.03 -0.30 0.00 0.45 0.00 0.00 0.00 179.25 179.43 1krw n SER 45 N -2.98 1.13 -3.53 0.00 2.88 -1.12 -5.07 113.62 104.93 1krw n SER 45 Ca -0.02 -1.37 -0.10 0.00 -1.33 0.00 0.00 58.87 56.05 1krw n SER 45 Cb 0.35 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.77 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 -0.37 0.73 -0.09 -1.46 2.20 -0.32 -5.16 119.74 115.27 1krw s LYS 46 Ca 0.00 -0.10 -0.03 0.00 -0.36 0.00 0.00 55.97 55.48 1krw s LYS 46 Cb 0.00 0.34 0.04 0.00 -1.51 0.00 0.00 37.83 36.70 1krw s LYS 46 CO 0.00 -0.28 0.06 0.99 -0.36 0.00 0.00 175.35 175.75 1krw s THR 47 N -2.24 0.01 0.71 3.43 2.01 -1.26 -3.93 115.64 114.37 1krw s THR 47 Ca 0.02 0.15 -0.11 0.00 0.31 0.00 0.00 61.69 62.06 1krw s THR 47 Cb -0.01 -0.38 0.02 0.00 0.01 0.00 0.00 72.50 72.14 1krw s THR 47 CO -0.04 0.04 1.08 -2.16 -0.69 0.00 0.00 174.62 172.85 1krw s PRO 48 N 2.11 2.82 0.48 4.92 0.04 -1.26 -4.96 135.00 139.15 1krw s PRO 48 Ca 0.04 0.64 0.28 0.00 0.04 0.00 0.00 61.00 62.00 1krw s PRO 48 Cb -0.13 -2.00 0.92 0.00 0.04 0.00 0.00 34.50 33.32 1krw s PRO 48 CO -0.05 -1.11 1.82 -0.44 0.04 0.00 0.00 177.00 177.26 1krw h ASP 49 N -0.71 0.00 -5.18 6.66 5.19 -0.74 -3.46 116.42 118.18 1krw h ASP 49 Ca -0.45 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 55.87 1krw h ASP 49 Cb 1.24 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 40.61 1krw h ASP 49 CO 0.61 0.07 -0.33 0.54 -3.12 0.00 0.00 179.24 177.01 1krw s VAL 50 N -3.50 0.12 -0.19 -1.35 0.11 -1.16 -4.68 120.40 109.76 1krw s VAL 50 Ca 0.03 -1.19 -0.11 0.00 -2.93 0.00 0.00 61.98 57.78 1krw s VAL 50 Cb 0.08 -1.46 0.06 0.00 -1.53 0.00 0.00 36.38 33.53 1krw s VAL 50 CO 0.61 -0.53 0.46 -0.22 -3.33 0.00 0.00 175.10 172.08 1krw s LEU 51 N -2.89 -0.18 -0.22 2.54 2.96 0.13 -2.19 118.68 118.82 1krw s LEU 51 Ca 0.08 0.99 -0.02 0.00 -0.22 0.00 0.00 54.13 54.96 1krw s LEU 51 Cb 0.04 1.53 0.01 0.00 0.50 0.00 0.00 46.19 48.27 1krw s LEU 51 CO -0.08 -0.20 -0.07 -0.22 -1.32 0.00 0.00 176.35 174.46 1krw s LEU 52 N 1.30 2.88 0.03 -0.68 0.20 -0.43 0.11 118.68 122.10 1krw s LEU 52 Ca -0.09 -0.62 0.07 0.00 0.69 0.00 0.00 54.13 54.19 1krw s LEU 52 Cb -0.07 -1.67 -0.03 0.00 -0.43 0.00 0.00 46.19 43.99 1krw s LEU 52 CO -0.12 -0.06 -0.20 -0.44 -0.29 0.00 0.00 176.35 175.23 1krw s SER 53 N 1.39 3.61 0.92 3.68 0.01 0.27 -0.43 113.70 123.16 1krw s SER 53 Ca 0.04 -0.46 -0.13 0.00 1.31 0.00 0.00 55.95 56.71 1krw s SER 53 Cb -0.15 -0.53 0.20 0.00 0.21 0.00 0.00 66.02 65.75 1krw s SER 53 CO -0.05 0.27 1.26 -0.62 0.41 0.00 0.00 173.24 174.51 1krw s ASP 54 N -1.30 3.24 -0.46 2.44 2.15 -0.83 -2.33 116.67 119.57 1krw s ASP 54 Ca 0.13 0.03 0.07 0.00 0.43 0.00 0.00 52.55 53.22 1krw s ASP 54 Cb -0.10 -0.09 0.26 0.00 -0.30 0.00 0.00 42.92 42.69 1krw s ASP 54 CO 0.04 -2.63 0.85 0.00 -0.17 0.00 0.00 175.17 173.25 1krw n ILE 55 N -3.60 -0.15 -1.60 4.11 3.06 -1.26 -4.72 119.36 115.20 1krw n ILE 55 Ca 0.16 -2.22 -0.27 0.00 -2.50 0.00 0.00 62.75 57.92 1krw n ILE 55 Cb 0.60 0.68 0.07 0.00 0.54 0.00 0.00 39.64 41.53 1krw n ILE 55 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1krw n ARG 56 N 1.27 2.93 -3.12 9.51 5.12 -1.20 -4.68 116.66 126.49 1krw n ARG 56 Ca 0.12 -3.60 -0.14 0.00 -1.93 0.00 0.00 57.85 52.31 1krw n ARG 56 Cb 0.62 -2.23 0.06 0.00 -1.16 0.00 0.00 32.46 29.76 1krw n ARG 56 CO 0.00 0.00 0.00 -0.12 -1.93 0.00 0.00 177.63 175.58 1krw n MET 57 N -0.87 -5.15 0.00 5.56 0.00 0.67 -4.94 117.12 112.39 1krw n MET 57 Ca 0.53 0.62 0.00 0.00 0.00 0.00 0.00 57.70 58.85 1krw n MET 57 Cb 0.86 -4.97 0.00 0.00 0.00 0.00 0.00 33.22 29.11 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 -3.44 0.00 -0.05 2.12 -0.04 -1.26 -4.56 135.00 127.77 1krw n PRO 58 Ca -0.15 0.09 -0.04 0.00 -0.04 0.00 0.00 63.50 63.37 1krw n PRO 58 Cb 0.60 -0.89 -0.11 0.00 -0.04 0.00 0.00 33.50 33.06 1krw n PRO 58 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1krw n GLY 59 N 0.63 -0.68 2.73 0.55 0.00 -1.26 -4.83 105.19 102.34 1krw n GLY 59 Ca 0.00 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.40 0.83 0.00 1.61 0.00 -1.26 -4.91 117.12 110.99 1krw n MET 60 Ca -0.18 -1.81 0.00 0.00 -0.00 0.00 0.00 57.70 55.71 1krw n MET 60 Cb 0.82 -1.38 0.00 0.00 0.00 0.00 0.00 33.22 32.66 1krw n MET 60 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1krw n ASP 61 N 1.38 0.00 0.00 6.12 2.03 -1.26 -2.22 116.55 122.60 1krw n ASP 61 Ca 0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.40 1krw n ASP 61 Cb 0.64 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 41.02 1krw n ASP 61 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1krw n GLY 62 N -0.14 1.42 0.11 0.27 0.00 -1.26 -0.24 105.19 105.35 1krw n GLY 62 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 0.61 -0.02 0.99 4.32 -0.94 -3.28 117.00 118.68 1krw n LEU 63 Ca 0.00 0.62 -0.09 0.00 -0.02 0.00 0.00 56.01 56.52 1krw n LEU 63 Cb 0.00 -0.50 -0.02 0.00 -1.62 0.00 0.00 43.42 41.27 1krw n LEU 63 CO 0.00 -0.42 0.73 0.00 -1.22 0.00 0.00 177.39 176.48 1krw h ALA 64 N 2.38 -0.10 -0.50 -1.18 0.00 -1.88 -0.72 119.26 117.26 1krw h ALA 64 Ca 0.00 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1krw h ALA 64 Cb 0.45 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1krw h ALA 64 CO 0.00 -0.63 0.34 1.37 0.00 0.00 0.00 179.25 180.33 1krw h LEU 65 N -0.22 0.34 0.01 0.00 8.10 -1.89 -2.26 115.31 119.39 1krw h LEU 65 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.11 1krw h LEU 65 Cb 0.39 -0.07 -0.01 0.00 -0.44 0.00 0.00 40.66 40.53 1krw h LEU 65 CO -0.30 0.22 -0.03 -0.07 -4.11 0.00 0.00 178.44 174.15 1krw h LEU 66 N 0.38 -0.08 -0.94 0.17 -0.00 -1.29 -2.03 115.31 111.52 1krw h LEU 66 Ca 0.22 0.01 0.12 0.00 -0.00 0.00 0.00 57.88 58.23 1krw h LEU 66 Cb 0.39 0.03 -0.08 0.00 -0.00 0.00 0.00 40.66 41.00 1krw h LEU 66 CO -0.06 -0.04 0.57 0.11 -0.00 0.00 0.00 178.44 179.02 1krw h LYS 67 N -0.06 0.88 0.00 1.13 1.57 -1.04 0.98 116.57 120.04 1krw h LYS 67 Ca 0.01 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 1krw h LYS 67 Cb 0.07 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1krw h LYS 67 CO -0.02 0.58 -0.23 1.96 -0.57 0.00 0.00 179.45 181.17 1krw h GLN 68 N 0.91 0.00 0.31 3.15 1.08 -1.30 -2.86 115.11 116.40 1krw h GLN 68 Ca 0.47 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.65 1krw h GLN 68 Cb 0.47 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 1krw h GLN 68 CO -0.27 0.23 -0.15 0.82 -0.95 0.00 0.00 178.83 178.52 1krw h ILE 69 N 0.00 0.72 0.00 2.54 2.04 -0.09 -3.02 117.51 119.70 1krw h ILE 69 Ca -0.00 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 1krw h ILE 69 Cb 0.47 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1krw h ILE 69 CO 0.03 0.09 -0.12 0.07 0.00 0.00 0.00 178.15 178.22 1krw h LYS 70 N -0.65 0.00 0.14 2.37 5.09 -1.46 0.31 116.57 122.37 1krw h LYS 70 Ca -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.69 1krw h LYS 70 Cb 0.46 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.79 1krw h LYS 70 CO 0.07 0.12 -0.07 1.96 -2.09 0.00 0.00 179.45 179.44 1krw h GLN 71 N 0.00 -0.18 0.00 0.07 4.20 -1.38 -3.33 115.11 114.49 1krw h GLN 71 Ca -0.00 0.01 -0.22 0.00 0.06 0.00 0.00 58.65 58.51 1krw h GLN 71 Cb 0.32 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.11 1krw h GLN 71 CO 0.02 0.04 -1.92 0.54 -0.67 0.00 0.00 178.83 176.83 1krw n ARG 72 N -5.08 0.66 -4.61 1.46 3.00 -1.17 -4.93 116.66 105.98 1krw n ARG 72 Ca -0.09 0.05 -0.34 0.00 -0.01 0.00 0.00 57.85 57.47 1krw n ARG 72 Cb 0.17 -1.64 -0.11 0.00 0.00 0.00 0.00 32.46 30.88 1krw n ARG 72 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1krw s HIS 73 N -2.87 2.95 0.00 -1.55 3.76 0.11 -5.07 115.29 112.61 1krw s HIS 73 Ca -0.07 0.00 0.00 0.00 -0.15 0.00 0.00 55.06 54.85 1krw s HIS 73 Cb 0.09 -1.73 0.00 0.00 1.11 0.00 0.00 32.58 32.05 1krw s HIS 73 CO 0.84 0.31 0.67 -2.30 -0.85 0.00 0.00 174.74 173.41 1krw n PRO 74 N 2.30 0.00 -2.85 8.40 -0.02 -1.26 -3.93 135.00 137.64 1krw n PRO 74 Ca -0.18 0.31 -0.12 0.00 -2.02 0.00 0.00 63.50 61.49 1krw n PRO 74 Cb 0.53 -1.17 0.03 0.00 -0.02 0.00 0.00 33.50 32.87 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 -1.19 1.08 -1.83 -0.52 2.81 -1.26 -4.68 117.12 111.53 1krw n MET 75 Ca 0.00 -3.01 -0.43 0.00 -1.81 0.00 0.00 57.70 52.46 1krw n MET 75 Cb 0.00 -1.24 -0.03 0.00 -0.71 0.00 0.00 33.22 31.24 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 -2.82 3.98 -0.09 4.03 0.20 -1.26 -4.56 118.68 118.16 1krw s LEU 76 Ca 0.30 2.08 -0.32 0.00 0.69 0.00 0.00 54.13 56.88 1krw s LEU 76 Cb 0.40 -3.53 -0.10 0.00 -0.43 0.00 0.00 46.19 42.53 1krw s LEU 76 CO -0.02 -1.36 1.98 -2.65 -0.29 0.00 0.00 176.35 174.01 1krw n PRO 77 N 7.88 2.26 -4.51 0.98 -0.02 -1.15 -3.41 135.00 137.03 1krw n PRO 77 Ca 0.22 0.80 -0.25 0.00 -2.02 0.00 0.00 63.50 62.25 1krw n PRO 77 Cb 0.44 -2.81 -0.14 0.00 -0.02 0.00 0.00 33.50 30.97 1krw n PRO 77 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1krw s VAL 78 N 4.98 1.66 -0.16 -1.45 1.01 -1.22 0.19 120.40 125.40 1krw s VAL 78 Ca 0.94 -1.30 -0.00 0.00 0.00 0.00 0.00 61.98 61.61 1krw s VAL 78 Cb -0.59 -1.47 0.04 0.00 0.00 0.00 0.00 36.38 34.36 1krw s VAL 78 CO 0.47 0.11 -0.07 -0.63 0.00 0.00 0.00 175.10 174.98 1krw s ILE 79 N -0.92 1.21 0.01 2.22 1.09 0.31 0.95 121.20 126.07 1krw s ILE 79 Ca 0.07 -0.63 -0.10 0.00 -1.10 0.00 0.00 60.65 58.88 1krw s ILE 79 Cb -0.09 -1.33 -0.05 0.00 -1.06 0.00 0.00 42.46 39.93 1krw s ILE 79 CO 0.03 0.20 0.34 -0.63 -0.10 0.00 0.00 174.94 174.77 1krw s ILE 80 N 1.60 5.17 0.34 2.92 -1.09 -1.18 0.95 121.20 129.91 1krw s ILE 80 Ca 0.01 0.49 0.08 0.00 -2.23 0.00 0.00 60.65 59.00 1krw s ILE 80 Cb -0.15 -3.62 0.10 0.00 -1.58 0.00 0.00 42.46 37.22 1krw s ILE 80 CO -0.08 0.45 1.81 0.00 -1.23 0.00 0.00 174.94 175.89 1krw h MET 81 N 4.27 0.26 -3.95 2.79 -0.00 -1.75 -1.61 114.93 114.94 1krw h MET 81 Ca -0.51 -0.09 -0.11 0.00 -0.00 0.00 0.00 59.70 58.99 1krw h MET 81 Cb 1.21 -0.02 -0.11 0.00 -0.00 0.00 0.00 31.60 32.68 1krw h MET 81 CO 0.63 0.50 -0.28 0.99 -0.00 0.00 0.00 176.91 178.76 1krw s THR 82 N -4.47 0.00 -0.37 -0.10 2.01 -1.23 -4.19 115.64 107.30 1krw s THR 82 Ca -0.05 -1.59 0.13 0.00 0.31 0.00 0.00 61.69 60.48 1krw s THR 82 Cb 0.14 -2.30 0.38 0.00 0.01 0.00 0.00 72.50 70.74 1krw s THR 82 CO 0.75 -0.00 0.91 0.00 -0.69 0.00 0.00 174.62 175.59 1krw n ALA 83 N -0.35 1.96 -2.02 7.40 0.00 -1.24 -4.64 120.51 121.62 1krw n ALA 83 Ca -0.00 -2.85 -0.19 0.00 0.00 0.00 0.00 53.44 50.39 1krw n ALA 83 Cb 0.63 -0.97 0.05 0.00 0.00 0.00 0.00 19.45 19.16 1krw n ALA 83 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1krw s HIS 84 N -2.01 1.77 0.00 0.00 -3.43 -1.26 -4.19 115.29 106.17 1krw s HIS 84 Ca 0.32 -0.60 0.00 0.00 -0.80 0.00 0.00 55.06 53.98 1krw s HIS 84 Cb 0.38 -2.32 0.00 0.00 -1.43 0.00 0.00 32.58 29.20 1krw s HIS 84 CO -0.04 -1.03 0.00 0.45 -2.00 0.00 0.00 174.74 172.12 1krw n SER 85 N -2.21 0.00 -3.42 7.38 2.88 -1.26 -4.00 113.62 112.99 1krw n SER 85 Ca 0.14 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.41 1krw n SER 85 Cb 0.61 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.99 1krw n SER 85 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1krw n ASP 86 N 2.36 3.70 0.26 -3.46 -0.08 -1.26 -4.89 116.55 113.17 1krw n ASP 86 Ca 0.00 -3.43 0.18 0.00 -1.51 0.00 0.00 54.79 50.03 1krw n ASP 86 Cb 0.00 -0.67 0.86 0.00 2.34 0.00 0.00 41.12 43.65 1krw n ASP 86 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1krw h LEU 87 N 4.19 0.00 -0.06 -2.67 7.12 -1.73 -2.63 115.31 119.53 1krw h LEU 87 Ca 0.20 0.00 0.04 0.00 0.13 0.00 0.00 57.88 58.24 1krw h LEU 87 Cb 0.67 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 40.74 1krw h LEU 87 CO 0.83 0.00 -0.37 -0.78 -0.13 0.00 0.00 178.44 177.99 1krw h ASP 88 N 0.00 -1.14 -0.00 1.25 1.82 -1.92 0.10 116.42 116.52 1krw h ASP 88 Ca 0.06 0.15 0.00 0.00 -0.39 0.00 0.00 57.03 56.85 1krw h ASP 88 Cb 0.62 0.46 -0.00 0.00 0.68 0.00 0.00 39.33 41.09 1krw h ASP 88 CO -0.00 -0.41 0.03 0.00 -1.61 0.00 0.00 179.24 177.24 1krw h ALA 89 N 0.18 1.08 0.43 -0.78 0.00 -1.85 -2.47 119.26 115.84 1krw h ALA 89 Ca 0.07 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1krw h ALA 89 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1krw h ALA 89 CO -0.33 -0.03 -0.21 0.00 0.00 0.00 0.00 179.25 178.68 1krw h ALA 90 N 1.95 -0.70 -0.70 0.00 0.00 -0.92 -1.99 119.26 116.90 1krw h ALA 90 Ca 0.00 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 54.89 1krw h ALA 90 Cb 0.06 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 1krw h ALA 90 CO -0.00 -0.66 0.31 0.28 0.00 0.00 0.00 179.25 179.18 1krw h VAL 91 N -0.94 0.78 0.00 0.00 2.07 -1.19 0.62 116.25 117.59 1krw h VAL 91 Ca -0.06 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 1krw h VAL 91 Cb 0.45 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1krw h VAL 91 CO 0.10 0.09 -0.01 0.28 0.02 0.00 0.00 177.57 178.06 1krw h SER 92 N 0.52 0.00 -0.00 0.57 0.02 -1.52 0.49 113.55 113.63 1krw h SER 92 Ca 0.36 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.29 1krw h SER 92 Cb 0.44 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1krw h SER 92 CO -0.31 0.01 -0.05 0.00 -1.14 0.00 0.00 176.83 175.33 1krw h ALA 93 N 1.99 0.01 0.00 3.77 0.00 0.97 -1.47 119.26 124.52 1krw h ALA 93 Ca -0.00 -0.41 -0.13 0.00 0.00 0.00 0.00 54.91 54.37 1krw h ALA 93 Cb 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1krw h ALA 93 CO 0.00 -0.06 -0.62 0.10 0.00 0.00 0.00 179.25 178.67 1krw h TYR 94 N -0.73 0.00 0.07 0.00 -0.00 -0.47 0.82 116.97 116.65 1krw h TYR 94 Ca -0.01 0.00 -0.27 0.00 0.00 0.00 0.00 58.73 58.46 1krw h TYR 94 Cb 0.84 0.00 0.01 0.00 0.00 0.00 0.00 36.73 37.58 1krw h TYR 94 CO 0.20 0.62 -1.12 -0.56 -0.00 0.00 0.00 178.16 177.30 1krw h GLN 95 N 0.00 0.50 0.00 0.10 -0.00 -0.14 -3.15 115.11 112.43 1krw h GLN 95 Ca -0.01 -0.63 0.00 0.00 -0.00 0.00 0.00 58.65 58.02 1krw h GLN 95 Cb 1.14 0.20 0.00 0.00 -0.00 0.00 0.00 27.48 28.82 1krw h GLN 95 CO 0.08 1.25 0.00 -0.56 -0.00 0.00 0.00 178.83 179.60 1krw h GLN 96 N 0.24 0.00 0.00 0.06 3.07 -1.20 -3.45 115.11 113.83 1krw h GLN 96 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.61 1krw h GLN 96 Cb 1.78 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.34 1krw h GLN 96 CO 0.20 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.53 1krw n GLY 97 N 0.43 0.73 3.65 0.06 0.00 -0.90 -4.05 105.19 105.11 1krw n GLY 97 Ca 0.03 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1krw n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1krw n ALA 98 N 0.00 -0.31 0.10 4.61 0.00 0.28 -2.91 120.51 122.28 1krw n ALA 98 Ca 0.00 -0.32 -0.12 0.00 0.00 0.00 0.00 53.44 52.99 1krw n ALA 98 Cb 0.00 -2.18 -0.08 0.00 0.00 0.00 0.00 19.45 17.19 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 -0.82 -0.27 0.00 0.00 3.57 0.36 -3.37 116.94 116.41 1krw h PHE 99 Ca -0.46 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.03 1krw h PHE 99 Cb 1.31 0.09 0.00 0.00 2.79 0.00 0.00 35.95 40.13 1krw h PHE 99 CO 0.44 0.12 0.00 -0.40 -2.23 0.00 0.00 178.31 176.24 1krw n ASP 100 N -5.02 0.00 -4.10 0.41 5.75 -1.14 -4.91 116.55 107.54 1krw n ASP 100 Ca -0.09 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 54.57 1krw n ASP 100 Cb 0.26 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.24 1krw n ASP 100 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1krw s TYR 101 N -3.00 0.74 -0.27 2.11 1.51 -1.26 -3.13 117.35 114.04 1krw s TYR 101 Ca 0.00 -0.64 -0.09 0.00 -1.01 0.00 0.00 57.07 55.33 1krw s TYR 101 Cb 0.00 -0.44 -0.03 0.00 -0.11 0.00 0.00 41.96 41.38 1krw s TYR 101 CO 0.00 -0.11 0.13 -1.17 -1.11 0.00 0.00 175.55 173.29 1krw s LEU 102 N -2.07 3.78 0.00 -1.29 2.96 -0.61 -4.96 118.68 116.50 1krw s LEU 102 Ca -0.03 -0.22 0.00 0.00 -0.22 0.00 0.00 54.13 53.67 1krw s LEU 102 Cb -0.05 -2.01 0.00 0.00 0.50 0.00 0.00 46.19 44.64 1krw s LEU 102 CO -0.01 -0.08 0.30 -0.81 -1.32 0.00 0.00 176.35 174.43 1krw n PRO 103 N 4.98 0.00 -0.04 0.98 -0.04 -1.26 -3.47 135.00 136.15 1krw n PRO 103 Ca -0.15 0.23 -0.08 0.00 -0.04 0.00 0.00 63.50 63.46 1krw n PRO 103 Cb 0.51 -0.94 -0.03 0.00 -0.04 0.00 0.00 33.50 33.00 1krw n PRO 103 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1krw n LYS 104 N -1.19 0.30 -1.23 0.54 4.81 -1.26 -4.71 118.16 115.42 1krw n LYS 104 Ca 0.00 0.12 -0.36 0.00 -0.87 0.00 0.00 58.31 57.21 1krw n LYS 104 Cb 0.00 -1.02 0.08 0.00 0.02 0.00 0.00 35.03 34.10 1krw n LYS 104 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1krw n PRO 105 N -3.93 0.28 0.00 1.64 -0.02 -1.26 -4.96 135.00 126.75 1krw n PRO 105 Ca -0.14 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1krw n PRO 105 Cb 0.41 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 1krw n PRO 105 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1krw n PHE 106 N -2.52 0.00 -0.26 6.00 7.35 -1.26 -4.88 117.46 121.89 1krw n PHE 106 Ca 0.10 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.83 1krw n PHE 106 Cb 0.50 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.32 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 -1.40 -0.11 -2.13 5.68 -1.26 -2.22 116.55 115.11 1krw n ASP 107 Ca 0.00 0.10 -0.12 0.00 -0.50 0.00 0.00 54.79 54.27 1krw n ASP 107 Cb 0.00 -1.18 -0.03 0.00 -1.14 0.00 0.00 41.12 38.77 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 -0.26 1.29 -0.15 2.12 5.03 -2.00 0.16 117.51 123.69 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 1.06 1.41 -0.07 0.00 -3.03 0.00 0.00 36.82 36.19 1krw h ILE 108 CO 0.00 0.39 -0.47 0.44 -0.68 0.00 0.00 178.15 177.83 1krw h ASP 109 N 0.40 -1.50 0.64 1.72 3.32 -1.99 1.38 116.42 120.40 1krw h ASP 109 Ca 0.07 0.19 -0.19 0.00 0.02 0.00 0.00 57.03 57.13 1krw h ASP 109 Cb 0.63 0.60 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 1krw h ASP 109 CO 0.04 -0.45 -0.85 -0.33 -1.72 0.00 0.00 179.24 175.93 1krw h GLU 110 N -0.52 0.14 0.52 3.56 4.39 -1.53 -1.60 114.58 119.54 1krw h GLU 110 Ca 0.06 -0.16 -0.03 0.00 0.34 0.00 0.00 59.36 59.58 1krw h GLU 110 Cb 0.65 0.04 0.01 0.00 -0.10 0.00 0.00 28.75 29.35 1krw h GLU 110 CO -0.43 0.91 -0.25 0.00 -1.16 0.00 0.00 179.01 178.08 1krw h ALA 111 N 1.04 -0.70 -0.31 3.43 0.00 -0.41 -0.35 119.26 121.95 1krw h ALA 111 Ca -0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1krw h ALA 111 Cb 1.48 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 19.52 1krw h ALA 111 CO 0.13 -0.74 0.09 0.28 0.00 0.00 0.00 179.25 179.01 1krw h VAL 112 N -1.02 1.14 -0.32 0.00 2.07 0.17 -0.12 116.25 118.17 1krw h VAL 112 Ca -0.07 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 1krw h VAL 112 Cb 0.62 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1krw h VAL 112 CO 0.12 0.17 0.16 0.00 0.02 0.00 0.00 177.57 178.04 1krw h ALA 113 N 1.67 0.42 0.00 1.67 0.00 -1.20 -1.75 119.26 120.06 1krw h ALA 113 Ca 0.11 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1krw h ALA 113 Cb 0.14 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1krw h ALA 113 CO -0.01 -0.03 -0.16 1.25 0.00 0.00 0.00 179.25 180.31 1krw h LEU 114 N 0.39 0.00 0.18 0.00 5.85 -0.51 -3.08 115.31 118.14 1krw h LEU 114 Ca 0.11 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.55 1krw h LEU 114 Cb 0.11 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.17 1krw h LEU 114 CO -0.01 0.16 -1.20 1.62 -0.34 0.00 0.00 178.44 178.66 1krw h VAL 115 N 0.00 1.35 -0.43 1.05 3.04 -0.69 -3.14 116.25 117.42 1krw h VAL 115 Ca -0.00 -2.56 -0.07 0.00 -1.01 0.00 0.00 66.70 63.06 1krw h VAL 115 Cb 0.91 2.97 -0.02 0.00 -2.01 0.00 0.00 31.29 33.15 1krw h VAL 115 CO 0.02 0.76 -0.01 -0.33 -1.01 0.00 0.00 177.57 177.00 1krw h GLU 116 N 0.03 0.76 0.00 4.17 5.08 -1.39 -2.30 114.58 120.93 1krw h GLU 116 Ca -0.20 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1krw h GLU 116 Cb 1.92 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 31.11 1krw h GLU 116 CO 0.23 0.84 -0.02 0.00 -1.00 0.00 0.00 179.01 179.06 1krw h ARG 117 N 0.60 0.00 -0.04 2.33 3.08 -1.65 -0.73 114.38 117.97 1krw h ARG 117 Ca 0.12 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 1krw h ARG 117 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1krw h ARG 117 CO 0.02 0.02 -0.10 0.00 -1.07 0.00 0.00 179.97 178.84 1krw h ALA 118 N 1.98 0.06 -0.05 0.04 0.00 -1.37 -1.25 119.26 118.67 1krw h ALA 118 Ca -0.00 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 1krw h ALA 118 Cb 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1krw h ALA 118 CO 0.00 -0.06 -0.47 0.82 0.00 0.00 0.00 179.25 179.55 1krw h ILE 119 N -0.42 1.34 0.03 0.00 2.04 -1.21 -2.79 117.51 116.51 1krw h ILE 119 Ca -0.00 -1.64 -0.00 0.00 1.00 0.00 0.00 64.86 64.22 1krw h ILE 119 Cb 0.71 1.82 0.00 0.00 -0.74 0.00 0.00 36.82 38.61 1krw h ILE 119 CO 0.02 0.48 -0.02 -1.28 0.00 0.00 0.00 178.15 177.35 1krw h SER 120 N 0.10 -0.04 0.02 1.72 0.87 -1.18 -3.14 113.55 111.90 1krw h SER 120 Ca 0.00 -0.55 -0.00 0.00 -1.23 0.00 0.00 61.79 60.02 1krw h SER 120 Cb 0.87 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.84 1krw h SER 120 CO 0.07 0.54 -0.00 0.45 -0.53 0.00 0.00 176.83 177.36 1krw h HIS 121 N -0.64 0.00 -0.29 2.24 3.86 -1.23 -2.16 115.15 116.92 1krw h HIS 121 Ca -0.00 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 1krw h HIS 121 Cb 0.58 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.04 1krw h HIS 121 CO 0.12 0.00 -0.04 -0.92 0.86 0.00 0.00 177.93 177.96 1krw h TYR 122 N 0.00 0.61 -4.23 2.45 3.20 -1.44 -3.44 116.97 114.11 1krw h TYR 122 Ca -0.00 -0.12 -0.46 0.00 3.14 0.00 0.00 58.73 61.29 1krw h TYR 122 Cb 0.02 -0.15 0.13 0.00 1.54 0.00 0.00 36.73 38.27 1krw h TYR 122 CO 0.00 0.72 0.30 -1.14 -1.64 0.00 0.00 178.16 176.40 1krw s GLN 123 N -4.86 1.11 0.00 1.82 0.74 -0.81 -5.13 119.66 112.53 1krw s GLN 123 Ca -0.13 0.26 0.28 0.00 0.05 0.00 0.00 55.36 55.82 1krw s GLN 123 Cb 0.08 -1.84 1.12 0.00 1.10 0.00 0.00 33.01 33.48 1krw s GLN 123 CO 0.77 -2.21 1.79 -0.85 -0.55 0.00 0.00 175.29 174.23