#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 1.81 0.00 3.17 6.02 -1.26 -5.01 117.38 122.11 1krw n GLN 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1krw n GLN 2 Cb 0.00 -0.99 0.00 0.00 1.02 0.00 0.00 30.24 30.27 1krw n GLN 2 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 1krw n ARG 3 N -2.25 0.00 0.00 -1.09 1.85 -1.26 -4.24 116.66 109.67 1krw n ARG 3 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1krw n ARG 3 Cb 0.49 -1.31 0.00 0.00 -1.05 0.00 0.00 32.46 30.59 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 -0.27 0.24 3.11 2.89 0.00 -1.26 -4.52 105.19 105.37 1krw n GLY 4 Ca 0.00 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 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 2.34 -0.23 -0.61 -1.09 -1.26 0.11 121.20 120.46 1krw s ILE 5 Ca 0.00 -1.42 -0.02 0.00 -2.23 0.00 0.00 60.65 56.98 1krw s ILE 5 Cb 0.00 -2.29 0.02 0.00 -1.58 0.00 0.00 42.46 38.60 1krw s ILE 5 CO 0.00 0.08 -0.08 0.54 -1.23 0.00 0.00 174.94 174.25 1krw s VAL 6 N 1.18 2.90 -0.13 2.92 0.11 0.64 0.94 120.40 128.95 1krw s VAL 6 Ca -0.05 -0.87 -0.04 0.00 -2.93 0.00 0.00 61.98 58.09 1krw s VAL 6 Cb -0.18 -2.40 -0.03 0.00 -1.53 0.00 0.00 36.38 32.24 1krw s VAL 6 CO -0.06 0.31 -0.01 0.26 -3.33 0.00 0.00 175.10 172.27 1krw s TRP 7 N 1.36 3.11 0.10 1.54 0.52 -1.06 -2.00 118.94 122.51 1krw s TRP 7 Ca 0.02 -0.04 0.10 0.00 0.02 0.00 0.00 56.10 56.20 1krw s TRP 7 Cb -0.15 -1.91 -0.04 0.00 -1.15 0.00 0.00 33.47 30.22 1krw s TRP 7 CO -0.05 0.20 -0.24 0.08 0.02 0.00 0.00 176.95 176.95 1krw s VAL 8 N -0.13 2.02 -0.21 4.03 1.01 0.23 -1.12 120.40 126.23 1krw s VAL 8 Ca 0.04 -1.59 0.00 0.00 0.00 0.00 0.00 61.98 60.43 1krw s VAL 8 Cb -0.13 -1.79 0.05 0.00 0.00 0.00 0.00 36.38 34.52 1krw s VAL 8 CO 0.02 0.09 -0.06 -0.69 0.00 0.00 0.00 175.10 174.46 1krw s VAL 9 N -1.03 1.46 0.00 2.92 1.01 0.35 -0.56 120.40 124.55 1krw s VAL 9 Ca 0.11 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 61.04 1krw s VAL 9 Cb -0.10 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.61 1krw s VAL 9 CO 0.05 0.00 0.00 -0.67 0.00 0.00 0.00 175.10 174.48 1krw n ASP 10 N 4.72 0.00 0.00 3.32 -0.08 -0.99 -0.66 116.55 122.86 1krw n ASP 10 Ca -0.13 -0.18 0.05 0.00 -1.51 0.00 0.00 54.79 53.03 1krw n ASP 10 Cb 0.45 0.00 0.28 0.00 2.34 0.00 0.00 41.12 44.19 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 -0.17 0.00 0.00 1.67 8.00 -1.26 -3.78 116.55 121.02 1krw n ASP 11 Ca 0.00 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.36 1krw n ASP 11 Cb 0.00 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 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 -1.11 -0.54 0.00 -2.24 2.03 -1.25 -4.75 116.55 108.69 1krw n ASP 12 Ca 0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.37 1krw n ASP 12 Cb 0.05 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.45 1krw n ASP 12 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1krw n SER 13 N -1.39 0.00 -0.04 1.67 3.41 -1.26 0.15 113.62 116.16 1krw n SER 13 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.53 1krw n SER 13 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1krw n SER 13 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1krw h SER 14 N 0.00 -0.58 0.16 4.04 0.87 -2.00 0.44 113.55 116.48 1krw h SER 14 Ca 0.00 0.11 -0.05 0.00 -1.23 0.00 0.00 61.79 60.63 1krw h SER 14 Cb 0.00 0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 1krw h SER 14 CO 0.00 -0.22 -0.19 0.40 -0.53 0.00 0.00 176.83 176.29 1krw h ILE 15 N -0.18 1.16 -0.16 2.23 1.08 -0.63 -2.09 117.51 118.92 1krw h ILE 15 Ca 0.13 -0.74 -0.18 0.00 -0.39 0.00 0.00 64.86 63.68 1krw h ILE 15 Cb 0.38 1.34 0.01 0.00 -3.07 0.00 0.00 36.82 35.47 1krw h ILE 15 CO -0.33 0.22 -0.59 -0.09 -0.69 0.00 0.00 178.15 176.67 1krw h ARG 16 N 0.06 0.68 0.27 2.37 2.43 -1.01 -2.80 114.38 116.38 1krw h ARG 16 Ca 0.01 -0.52 -0.01 0.00 -0.81 0.00 0.00 59.98 58.65 1krw h ARG 16 Cb 0.37 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1krw h ARG 16 CO 0.03 1.14 -0.13 2.35 -1.51 0.00 0.00 179.97 181.85 1krw h TRP 17 N 0.37 -0.33 -0.68 2.20 7.01 0.13 0.30 115.95 124.95 1krw h TRP 17 Ca -0.03 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.97 1krw h TRP 17 Cb 1.22 0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 28.35 1krw h TRP 17 CO 0.10 -0.04 0.44 0.28 -2.79 0.00 0.00 178.44 176.43 1krw h VAL 18 N -0.61 1.18 0.00 2.65 2.07 -1.50 -3.05 116.25 116.99 1krw h VAL 18 Ca -0.04 -0.35 -0.18 0.00 0.82 0.00 0.00 66.70 66.96 1krw h VAL 18 Cb 0.44 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 1krw h VAL 18 CO 0.06 0.18 -0.95 0.25 0.02 0.00 0.00 177.57 177.13 1krw h LEU 19 N 0.92 0.00 0.51 2.57 5.85 -1.52 -3.27 115.31 120.36 1krw h LEU 19 Ca 0.25 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 1krw h LEU 19 Cb -0.09 0.00 0.00 0.00 0.37 0.00 0.00 40.66 40.95 1krw h LEU 19 CO -0.05 0.76 -0.24 1.05 -0.34 0.00 0.00 178.44 179.62 1krw h GLU 20 N 0.00 -0.66 -0.32 1.25 4.11 -0.29 -2.33 114.58 116.34 1krw h GLU 20 Ca -0.06 0.04 0.06 0.00 0.07 0.00 0.00 59.36 59.47 1krw h GLU 20 Cb 1.63 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 30.98 1krw h GLU 20 CO 0.09 -0.44 -0.01 0.00 0.07 0.00 0.00 179.01 178.73 1krw h ARG 21 N -0.95 0.08 0.30 1.06 -0.00 -1.73 0.68 114.38 113.82 1krw h ARG 21 Ca -0.07 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.41 1krw h ARG 21 Cb 0.52 -0.02 -0.04 0.00 0.00 0.00 0.00 29.97 30.44 1krw h ARG 21 CO 0.11 0.05 -0.52 0.00 0.00 0.00 0.00 179.97 179.62 1krw h ALA 22 N 1.28 -1.07 0.00 0.04 0.00 -1.65 0.35 119.26 118.20 1krw h ALA 22 Ca 0.15 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1krw h ALA 22 Cb 0.21 0.83 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1krw h ALA 22 CO -0.27 -1.16 -0.18 -0.07 0.00 0.00 0.00 179.25 177.58 1krw h LEU 23 N -0.87 0.00 -1.16 0.00 3.38 -1.28 -0.80 115.31 114.58 1krw h LEU 23 Ca -0.03 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1krw h LEU 23 Cb 0.81 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 1krw h LEU 23 CO -0.19 0.18 -0.01 0.00 0.09 0.00 0.00 178.44 178.51 1krw h ALA 24 N 1.82 1.31 0.00 1.53 0.00 0.18 -0.72 119.26 123.38 1krw h ALA 24 Ca -0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1krw h ALA 24 Cb 0.38 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1krw h ALA 24 CO 0.02 0.47 -0.15 0.78 0.00 0.00 0.00 179.25 180.37 1krw h GLY 25 N 0.87 0.00 2.00 0.00 0.00 0.11 -1.26 103.07 104.80 1krw h GLY 25 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1krw h GLY 25 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.55 1krw h ALA 26 N 1.85 1.00 0.00 3.60 0.00 -1.02 -3.47 119.26 121.22 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 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 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 0.87 1.63 3.53 0.00 0.00 -0.47 -5.11 105.19 105.64 1krw n GLY 27 Ca 0.04 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 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 2.30 -0.47 0.99 1.02 -1.17 -4.57 118.68 116.78 1krw s LEU 28 Ca 0.00 -1.46 -0.16 0.00 0.02 0.00 0.00 54.13 52.53 1krw s LEU 28 Cb 0.00 -0.48 0.06 0.00 0.02 0.00 0.00 46.19 45.80 1krw s LEU 28 CO 0.00 -0.66 0.42 -0.89 0.02 0.00 0.00 176.35 175.24 1krw s THR 29 N -3.11 5.18 -0.39 5.49 2.01 0.30 -4.23 115.64 120.89 1krw s THR 29 Ca 0.30 -0.92 -0.14 0.00 0.31 0.00 0.00 61.69 61.24 1krw s THR 29 Cb 0.07 -4.13 0.01 0.00 0.01 0.00 0.00 72.50 68.46 1krw s THR 29 CO 0.14 -0.59 0.27 0.00 -0.69 0.00 0.00 174.62 173.75 1krw s THR 31 N 1.67 2.38 0.19 0.00 -1.32 -0.85 -4.69 115.64 113.02 1krw s THR 31 Ca 0.05 -2.18 0.05 0.00 -1.21 0.00 0.00 61.69 58.40 1krw s THR 31 Cb -0.19 -2.19 -0.05 0.00 -1.51 0.00 0.00 72.50 68.57 1krw s THR 31 CO 0.09 -0.23 -0.08 0.42 -2.21 0.00 0.00 174.62 172.61 1krw s THR 32 N -2.01 1.29 0.36 5.08 -4.23 -1.25 0.74 115.64 115.62 1krw s THR 32 Ca 0.24 -2.09 0.03 0.00 -1.18 0.00 0.00 61.69 58.70 1krw s THR 32 Cb -0.07 -2.06 -0.04 0.00 1.34 0.00 0.00 72.50 71.67 1krw s THR 32 CO 0.12 -0.57 0.09 -0.36 -0.54 0.00 0.00 174.62 173.36 1krw s PHE 33 N -3.25 1.84 0.08 3.99 0.40 0.28 -4.92 117.98 116.40 1krw s PHE 33 Ca 0.22 -1.13 -0.25 0.00 -0.60 0.00 0.00 56.93 55.16 1krw s PHE 33 Cb 0.03 -1.20 -0.16 0.00 0.51 0.00 0.00 43.02 42.20 1krw s PHE 33 CO 0.05 -0.17 1.71 1.05 0.70 0.00 0.00 175.22 178.56 1krw h GLU 34 N 1.97 -0.21 0.00 0.44 -0.00 -1.90 -2.63 114.58 112.25 1krw h GLU 34 Ca -0.38 0.01 0.00 0.00 -0.00 0.00 0.00 59.36 58.99 1krw h GLU 34 Cb 1.26 0.05 0.00 0.00 -0.00 0.00 0.00 28.75 30.06 1krw h GLU 34 CO 0.63 -0.14 0.00 -1.71 -0.00 0.00 0.00 179.01 177.79 1krw n ASN 35 N -5.18 0.00 0.00 3.06 2.85 -1.25 -4.04 115.26 110.70 1krw n ASN 35 Ca -0.09 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.38 1krw n ASN 35 Cb 0.11 0.22 0.00 0.00 1.24 0.00 0.00 39.78 41.35 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 -0.08 0.05 0.19 8.20 0.00 -1.26 -3.97 105.19 108.31 1krw n GLY 36 Ca 0.00 -0.08 0.01 0.00 0.00 0.00 0.00 46.02 45.96 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 0.08 0.19 1.61 -0.26 -1.98 -3.22 115.58 112.00 1krw h ASN 37 Ca 0.00 -0.03 0.01 0.00 -0.56 0.00 0.00 56.30 55.72 1krw h ASN 37 Cb 0.00 -0.02 -0.04 0.00 -1.06 0.00 0.00 38.32 37.19 1krw h ASN 37 CO 0.00 0.44 -0.52 -0.08 -1.06 0.00 0.00 177.43 176.21 1krw h GLU 38 N 0.07 -0.77 -0.89 0.81 4.57 -1.98 -0.04 114.58 116.35 1krw h GLU 38 Ca 0.01 0.05 0.10 0.00 -1.18 0.00 0.00 59.36 58.33 1krw h GLU 38 Cb 0.68 0.18 -0.07 0.00 -0.16 0.00 0.00 28.75 29.37 1krw h GLU 38 CO 0.05 -0.51 0.53 0.28 -1.18 0.00 0.00 179.01 178.18 1krw h VAL 39 N -0.80 0.94 -0.90 0.32 2.07 -1.94 0.72 116.25 116.67 1krw h VAL 39 Ca -0.01 -0.31 0.13 0.00 0.82 0.00 0.00 66.70 67.33 1krw h VAL 39 Cb 0.78 -0.03 -0.09 0.00 -1.52 0.00 0.00 31.29 30.43 1krw h VAL 39 CO -0.25 0.16 0.52 -0.07 0.02 0.00 0.00 177.57 177.95 1krw h LEU 40 N 0.90 0.69 -0.13 2.57 3.38 -1.36 1.69 115.31 123.04 1krw h LEU 40 Ca 0.42 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.45 1krw h LEU 40 Cb 0.36 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1krw h LEU 40 CO -0.24 0.33 0.03 0.00 0.09 0.00 0.00 178.44 178.66 1krw h ALA 41 N 1.54 0.18 0.00 1.53 0.00 0.98 -2.61 119.26 120.88 1krw h ALA 41 Ca 0.47 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 55.17 1krw h ALA 41 Cb 0.58 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1krw h ALA 41 CO -0.32 -0.19 -0.37 0.00 0.00 0.00 0.00 179.25 178.37 1krw h ALA 42 N 0.84 1.07 0.00 0.00 0.00 -0.03 -2.80 119.26 118.33 1krw h ALA 42 Ca 0.04 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1krw h ALA 42 Cb 0.25 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1krw h ALA 42 CO 0.00 0.46 -0.12 -0.07 0.00 0.00 0.00 179.25 179.52 1krw h LEU 43 N 0.00 0.00 -2.14 0.00 3.38 0.27 -2.10 115.31 114.73 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 0.83 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 1krw h LEU 43 CO 0.05 0.12 0.30 0.00 0.09 0.00 0.00 178.44 179.00 1krw h ALA 44 N 1.88 1.54 0.00 1.53 0.00 -1.19 -1.62 119.26 121.40 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 0.59 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1krw h ALA 44 CO 0.02 -0.36 0.00 0.43 0.00 0.00 0.00 179.25 179.33 1krw n SER 45 N -3.23 0.59 -4.14 0.00 7.64 -1.08 -5.08 113.62 108.32 1krw n SER 45 Ca 0.00 -1.12 -0.09 0.00 1.01 0.00 0.00 58.87 58.67 1krw n SER 45 Cb 0.39 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.49 1krw n SER 45 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1krw s LYS 46 N -0.12 0.80 -0.16 1.43 2.47 -0.61 -5.14 119.74 118.41 1krw s LYS 46 Ca 0.00 -1.33 -0.04 0.00 -1.56 0.00 0.00 55.97 53.03 1krw s LYS 46 Cb 0.00 0.03 0.06 0.00 -1.46 0.00 0.00 37.83 36.45 1krw s LYS 46 CO 0.00 -0.11 0.08 0.99 0.16 0.00 0.00 175.35 176.47 1krw s THR 47 N -3.82 -0.02 0.48 3.43 2.01 -1.26 -4.32 115.64 112.13 1krw s THR 47 Ca 0.14 -0.13 -0.17 0.00 0.31 0.00 0.00 61.69 61.84 1krw s THR 47 Cb 0.07 -0.57 -0.08 0.00 0.01 0.00 0.00 72.50 71.92 1krw s THR 47 CO -0.05 -0.21 0.95 -2.16 -0.69 0.00 0.00 174.62 172.46 1krw s PRO 48 N 2.11 4.00 0.22 4.92 0.04 -1.26 -4.98 135.00 140.05 1krw s PRO 48 Ca 0.02 0.93 0.07 0.00 0.04 0.00 0.00 61.00 62.07 1krw s PRO 48 Cb -0.16 -2.18 0.17 0.00 0.04 0.00 0.00 34.50 32.37 1krw s PRO 48 CO -0.08 -0.18 1.50 -0.44 0.04 0.00 0.00 177.00 177.84 1krw h ASP 49 N 1.23 0.09 -1.85 6.66 5.19 0.17 -3.43 116.42 124.48 1krw h ASP 49 Ca -0.47 -0.06 -0.20 0.00 -0.62 0.00 0.00 57.03 55.67 1krw h ASP 49 Cb 1.18 -0.03 -0.30 0.00 0.18 0.00 0.00 39.33 40.37 1krw h ASP 49 CO 0.62 0.79 -0.53 0.54 -3.12 0.00 0.00 179.24 177.54 1krw s VAL 50 N -3.39 -0.58 -0.05 -1.35 0.11 -1.08 -4.79 120.40 109.27 1krw s VAL 50 Ca -0.02 -0.24 -0.22 0.00 -2.93 0.00 0.00 61.98 58.57 1krw s VAL 50 Cb 0.12 -0.92 -0.04 0.00 -1.53 0.00 0.00 36.38 34.00 1krw s VAL 50 CO 0.79 -0.25 0.65 -0.22 -3.33 0.00 0.00 175.10 172.74 1krw s LEU 51 N 2.51 4.34 -0.14 2.54 2.96 -1.08 -2.57 118.68 127.23 1krw s LEU 51 Ca 0.11 1.15 -0.00 0.00 -0.22 0.00 0.00 54.13 55.16 1krw s LEU 51 Cb -0.14 -3.01 -0.01 0.00 0.50 0.00 0.00 46.19 43.54 1krw s LEU 51 CO -0.25 -0.05 -0.14 -0.22 -1.32 0.00 0.00 176.35 174.37 1krw s LEU 52 N 0.53 2.60 -0.11 -0.68 0.20 -0.28 -1.42 118.68 119.52 1krw s LEU 52 Ca 0.35 -0.40 -0.02 0.00 0.69 0.00 0.00 54.13 54.75 1krw s LEU 52 Cb -0.18 -1.59 -0.03 0.00 -0.43 0.00 0.00 46.19 43.96 1krw s LEU 52 CO 0.17 0.12 -0.03 -0.44 -0.29 0.00 0.00 176.35 175.88 1krw s SER 53 N 0.62 4.94 0.40 3.68 0.01 0.16 -0.50 113.70 123.02 1krw s SER 53 Ca -0.08 0.01 0.21 0.00 1.31 0.00 0.00 55.95 57.41 1krw s SER 53 Cb -0.16 -1.50 0.31 0.00 0.21 0.00 0.00 66.02 64.89 1krw s SER 53 CO 0.03 0.30 1.58 -2.24 0.41 0.00 0.00 173.24 173.33 1krw h ASP 54 N 5.71 0.00 -6.13 2.44 2.03 -1.14 -2.82 116.42 116.51 1krw h ASP 54 Ca -0.44 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 55.77 1krw h ASP 54 Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 1krw h ASP 54 CO 0.57 0.13 -1.02 0.00 -1.03 0.00 0.00 179.24 177.89 1krw n ILE 55 N -3.14 -4.79 -2.89 4.15 3.06 -1.26 -4.60 119.36 109.88 1krw n ILE 55 Ca 0.03 0.66 -0.12 0.00 -2.50 0.00 0.00 62.75 60.82 1krw n ILE 55 Cb 0.57 -4.10 0.03 0.00 0.54 0.00 0.00 39.64 36.69 1krw n ILE 55 CO 0.00 0.00 0.00 -2.11 -2.50 0.00 0.00 176.55 171.94 1krw n ARG 56 N 0.74 1.05 -3.24 9.51 1.85 -1.23 -4.79 116.66 120.54 1krw n ARG 56 Ca -0.01 -2.77 -0.15 0.00 -1.00 0.00 0.00 57.85 53.92 1krw n ARG 56 Cb 0.46 -1.21 0.08 0.00 -1.05 0.00 0.00 32.46 30.73 1krw n ARG 56 CO 0.00 0.00 0.00 -0.12 -0.01 0.00 0.00 177.63 177.50 1krw n MET 57 N 0.11 -5.69 0.00 2.89 0.00 -0.76 -4.93 117.12 108.74 1krw n MET 57 Ca 0.13 0.74 0.00 0.00 -0.00 0.00 0.00 57.70 58.57 1krw n MET 57 Cb 0.73 -5.44 0.00 0.00 0.00 0.00 0.00 33.22 28.51 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 -3.71 0.00 -0.00 2.12 -0.04 -1.26 -4.76 135.00 127.34 1krw n PRO 58 Ca -0.25 0.15 0.01 0.00 -0.04 0.00 0.00 63.50 63.37 1krw n PRO 58 Cb 0.65 -0.72 -0.02 0.00 -0.04 0.00 0.00 33.50 33.37 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 1.91 -0.10 2.74 0.55 0.00 -1.26 -4.88 105.19 104.15 1krw n GLY 59 Ca 0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.63 0.78 0.00 1.61 0.00 -1.26 -4.92 117.12 111.70 1krw n MET 60 Ca -0.01 -1.70 0.00 0.00 -0.00 0.00 0.00 57.70 56.00 1krw n MET 60 Cb 0.11 -1.28 0.00 0.00 0.00 0.00 0.00 33.22 32.06 1krw n MET 60 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1krw n ASP 61 N 1.34 0.00 0.00 6.12 8.00 -1.26 -2.30 116.55 128.45 1krw n ASP 61 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.58 1krw n ASP 61 Cb 0.65 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 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 -1.03 1.30 0.25 0.44 0.00 -1.26 -1.83 105.19 103.05 1krw n GLY 62 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1krw n GLY 62 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1krw h LEU 63 N 0.00 0.00 -1.65 0.99 4.07 -1.80 -2.95 115.31 113.97 1krw h LEU 63 Ca 0.00 0.00 0.17 0.00 0.08 0.00 0.00 57.88 58.13 1krw h LEU 63 Cb 0.00 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 41.69 1krw h LEU 63 CO 0.00 0.11 0.51 0.00 -1.08 0.00 0.00 178.44 177.98 1krw h ALA 64 N 1.89 2.23 -0.28 1.53 0.00 -1.89 -1.01 119.26 121.73 1krw h ALA 64 Ca -0.00 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1krw h ALA 64 Cb 0.66 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1krw h ALA 64 CO 0.01 -0.45 0.07 -0.07 0.00 0.00 0.00 179.25 178.82 1krw h LEU 65 N 0.33 0.04 -0.98 0.00 4.07 -1.85 -1.92 115.31 115.00 1krw h LEU 65 Ca 0.38 0.04 0.10 0.00 0.08 0.00 0.00 57.88 58.47 1krw h LEU 65 Cb 0.99 0.05 -0.08 0.00 1.08 0.00 0.00 40.66 42.70 1krw h LEU 65 CO -0.11 0.06 0.62 -0.07 -1.08 0.00 0.00 178.44 177.87 1krw h LEU 66 N 0.18 0.94 -0.44 1.67 4.07 -1.38 -0.53 115.31 119.83 1krw h LEU 66 Ca 0.13 0.03 0.08 0.00 0.08 0.00 0.00 57.88 58.20 1krw h LEU 66 Cb 0.12 -0.16 -0.06 0.00 1.08 0.00 0.00 40.66 41.64 1krw h LEU 66 CO -0.16 0.55 0.06 0.50 -1.08 0.00 0.00 178.44 178.30 1krw h LYS 67 N 1.04 0.18 0.00 1.13 3.64 -1.23 -0.62 116.57 120.72 1krw h LYS 67 Ca 0.46 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.71 1krw h LYS 67 Cb 0.35 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 1krw h LYS 67 CO -0.23 0.12 -0.56 1.96 -2.27 0.00 0.00 179.45 178.47 1krw h GLN 68 N 0.18 0.00 -0.77 1.90 1.08 -1.11 -2.95 115.11 113.44 1krw h GLN 68 Ca 0.22 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.38 1krw h GLN 68 Cb 0.29 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.69 1krw h GLN 68 CO -0.31 0.56 0.35 0.82 -0.95 0.00 0.00 178.83 179.30 1krw h ILE 69 N 0.00 1.25 0.00 2.54 2.04 0.34 0.53 117.51 124.21 1krw h ILE 69 Ca -0.01 -0.74 -0.15 0.00 1.00 0.00 0.00 64.86 64.97 1krw h ILE 69 Cb 1.00 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 1krw h ILE 69 CO 0.07 0.31 -0.70 0.07 0.00 0.00 0.00 178.15 177.90 1krw h LYS 70 N 1.10 0.00 0.15 2.37 2.10 -1.21 0.25 116.57 121.33 1krw h LYS 70 Ca 0.26 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.58 1krw h LYS 70 Cb 0.16 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.49 1krw h LYS 70 CO -0.03 0.70 -1.71 1.96 -2.00 0.00 0.00 179.45 178.37 1krw h GLN 71 N 0.00 0.32 0.00 0.07 4.20 -1.30 -3.39 115.11 115.00 1krw h GLN 71 Ca -0.01 -0.54 -0.24 0.00 0.06 0.00 0.00 58.65 57.92 1krw h GLN 71 Cb 1.28 0.20 -0.04 0.00 0.30 0.00 0.00 27.48 29.21 1krw h GLN 71 CO 0.09 1.21 -1.92 0.54 -0.67 0.00 0.00 178.83 178.08 1krw n ARG 72 N -3.51 0.65 -4.35 1.46 1.74 0.18 -4.91 116.66 107.92 1krw n ARG 72 Ca -0.23 0.09 -0.34 0.00 -0.77 0.00 0.00 57.85 56.60 1krw n ARG 72 Cb 1.06 -1.65 -0.11 0.00 -1.02 0.00 0.00 32.46 30.74 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 -2.79 3.11 -1.12 -1.55 0.09 0.89 -4.86 115.29 109.05 1krw s HIS 73 Ca -0.07 -0.02 -0.25 0.00 -0.00 0.00 0.00 55.06 54.72 1krw s HIS 73 Cb 0.08 -1.89 -0.18 0.00 -0.00 0.00 0.00 32.58 30.59 1krw s HIS 73 CO 0.83 0.23 2.05 -2.30 -0.00 0.00 0.00 174.74 175.55 1krw n PRO 74 N 2.86 0.66 -3.98 8.40 -0.02 -1.26 -3.71 135.00 137.95 1krw n PRO 74 Ca -0.18 -1.99 -0.30 0.00 -2.02 0.00 0.00 63.50 59.01 1krw n PRO 74 Cb 0.53 -3.86 0.00 0.00 -0.02 0.00 0.00 33.50 30.15 1krw n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1krw n MET 75 N 8.18 -4.41 -2.16 -0.52 0.00 -1.26 -4.90 117.12 112.05 1krw n MET 75 Ca 0.43 0.50 -0.41 0.00 0.00 0.00 0.00 57.70 58.22 1krw n MET 75 Cb 0.47 -5.17 -0.03 0.00 0.00 0.00 0.00 33.22 28.49 1krw n MET 75 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 1krw s LEU 76 N -7.14 4.43 0.04 3.17 2.96 -1.24 -4.65 118.68 116.24 1krw s LEU 76 Ca 0.48 2.55 -0.30 0.00 -0.22 0.00 0.00 54.13 56.63 1krw s LEU 76 Cb -0.25 -3.63 -0.07 0.00 0.50 0.00 0.00 46.19 42.74 1krw s LEU 76 CO 0.87 -0.53 1.54 -2.16 -1.32 0.00 0.00 176.35 174.75 1krw s PRO 77 N -0.90 4.23 -0.01 0.98 0.04 -1.26 -4.58 135.00 133.50 1krw s PRO 77 Ca 0.53 2.17 0.03 0.00 0.04 0.00 0.00 61.00 63.77 1krw s PRO 77 Cb -0.38 -3.59 -0.03 0.00 0.04 0.00 0.00 34.50 30.54 1krw s PRO 77 CO 0.45 -0.67 -0.07 0.08 0.04 0.00 0.00 177.00 176.83 1krw s VAL 78 N 2.54 3.64 -0.17 -0.36 1.01 -1.26 -2.64 120.40 123.17 1krw s VAL 78 Ca 0.69 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 1krw s VAL 78 Cb -0.36 -2.57 0.05 0.00 0.00 0.00 0.00 36.38 33.50 1krw s VAL 78 CO 0.30 0.43 0.00 -0.63 0.00 0.00 0.00 175.10 175.20 1krw s ILE 79 N -0.96 0.69 -0.07 2.22 1.09 -0.51 0.11 121.20 123.76 1krw s ILE 79 Ca 0.16 -0.48 -0.05 0.00 -1.10 0.00 0.00 60.65 59.19 1krw s ILE 79 Cb -0.11 -1.04 -0.04 0.00 -1.06 0.00 0.00 42.46 40.21 1krw s ILE 79 CO 0.06 -0.03 0.13 -0.63 -0.10 0.00 0.00 174.94 174.37 1krw s ILE 80 N 1.80 5.28 -0.33 2.92 -1.09 -1.06 0.37 121.20 129.09 1krw s ILE 80 Ca 0.00 -0.00 0.21 0.00 -2.23 0.00 0.00 60.65 58.63 1krw s ILE 80 Cb -0.16 -3.35 0.19 0.00 -1.58 0.00 0.00 42.46 37.56 1krw s ILE 80 CO -0.07 0.51 1.41 0.00 -1.23 0.00 0.00 174.94 175.56 1krw h MET 81 N 4.60 0.00 -3.66 2.79 -0.00 -1.75 -0.88 114.93 116.03 1krw h MET 81 Ca -0.52 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.09 1krw h MET 81 Cb 1.21 0.00 -0.15 0.00 -0.00 0.00 0.00 31.60 32.66 1krw h MET 81 CO 0.61 0.11 -0.34 0.99 -0.00 0.00 0.00 176.91 178.27 1krw s THR 82 N -3.18 0.12 -0.40 -0.10 2.01 -1.21 -3.99 115.64 108.89 1krw s THR 82 Ca 0.04 -1.01 0.09 0.00 0.31 0.00 0.00 61.69 61.12 1krw s THR 82 Cb 0.07 -1.17 0.29 0.00 0.01 0.00 0.00 72.50 71.69 1krw s THR 82 CO 0.72 -0.56 0.61 0.00 -0.69 0.00 0.00 174.62 174.70 1krw n ALA 83 N 0.20 2.42 -2.60 7.40 0.00 -1.24 -4.69 120.51 122.00 1krw n ALA 83 Ca -0.17 -3.50 -0.38 0.00 0.00 0.00 0.00 53.44 49.40 1krw n ALA 83 Cb 0.61 -0.85 -0.10 0.00 0.00 0.00 0.00 19.45 19.11 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 -1.72 3.24 0.44 0.00 -3.43 -1.26 -4.87 115.29 107.70 1krw s HIS 84 Ca 0.37 0.18 0.00 0.00 -0.80 0.00 0.00 55.06 54.82 1krw s HIS 84 Cb 0.23 -2.40 0.00 0.00 -1.43 0.00 0.00 32.58 28.98 1krw s HIS 84 CO -0.10 -0.14 0.00 0.43 -2.00 0.00 0.00 174.74 172.93 1krw n SER 85 N 5.01 -6.75 -2.11 7.38 7.64 -1.26 -4.73 113.62 118.80 1krw n SER 85 Ca -0.13 0.99 -0.14 0.00 1.01 0.00 0.00 58.87 60.60 1krw n SER 85 Cb 0.52 -4.21 -0.02 0.00 -1.01 0.00 0.00 64.21 59.49 1krw n SER 85 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1krw n ASP 86 N -4.22 -4.00 0.21 6.43 -0.08 -1.26 -4.79 116.55 108.85 1krw n ASP 86 Ca -0.05 0.22 0.18 0.00 -1.51 0.00 0.00 54.79 53.63 1krw n ASP 86 Cb 0.61 -3.48 0.83 0.00 2.34 0.00 0.00 41.12 41.42 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 0.00 0.00 -1.41 -2.67 7.12 -1.89 -1.96 115.31 114.50 1krw h LEU 87 Ca -0.31 0.00 0.23 0.00 0.13 0.00 0.00 57.88 57.93 1krw h LEU 87 Cb 1.13 0.00 -0.08 0.00 -0.53 0.00 0.00 40.66 41.18 1krw h LEU 87 CO 0.39 0.00 0.64 0.44 -0.13 0.00 0.00 178.44 179.77 1krw h ASP 88 N 0.00 0.45 0.80 1.25 3.32 -2.01 0.42 116.42 120.66 1krw h ASP 88 Ca 0.09 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 1krw h ASP 88 Cb 0.69 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.22 1krw h ASP 88 CO -0.00 0.14 -0.16 0.00 -1.72 0.00 0.00 179.24 177.50 1krw h ALA 89 N 1.61 1.07 -0.02 3.45 0.00 -1.72 -2.77 119.26 120.89 1krw h ALA 89 Ca 0.53 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 55.17 1krw h ALA 89 Cb 1.30 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1krw h ALA 89 CO -0.24 0.20 -0.61 0.00 0.00 0.00 0.00 179.25 178.60 1krw h ALA 90 N 1.84 0.96 -0.19 0.00 0.00 -0.33 -3.10 119.26 118.44 1krw h ALA 90 Ca -0.00 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 1krw h ALA 90 Cb 0.60 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1krw h ALA 90 CO 0.02 0.75 -0.02 0.28 0.00 0.00 0.00 179.25 180.29 1krw h VAL 91 N 0.04 1.27 -0.83 0.00 2.07 -1.40 -2.90 116.25 114.49 1krw h VAL 91 Ca -0.01 -0.92 0.05 0.00 0.82 0.00 0.00 66.70 66.64 1krw h VAL 91 Cb 1.08 1.49 -0.05 0.00 -1.52 0.00 0.00 31.29 32.30 1krw h VAL 91 CO 0.08 0.28 0.54 0.28 0.02 0.00 0.00 177.57 178.78 1krw h SER 92 N 0.09 0.84 -0.88 0.57 0.02 -1.60 -1.61 113.55 110.98 1krw h SER 92 Ca 0.05 -0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.07 1krw h SER 92 Cb 0.43 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 62.72 1krw h SER 92 CO 0.01 0.56 0.54 0.00 -1.14 0.00 0.00 176.83 176.81 1krw h ALA 93 N 1.53 1.22 -0.02 3.77 0.00 -1.44 0.16 119.26 124.47 1krw h ALA 93 Ca 0.34 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.25 1krw h ALA 93 Cb 0.13 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1krw h ALA 93 CO -0.11 0.28 0.05 1.88 0.00 0.00 0.00 179.25 181.35 1krw h TYR 94 N 0.98 0.00 -0.07 0.00 0.05 -1.10 0.18 116.97 117.01 1krw h TYR 94 Ca 0.39 0.00 -0.25 0.00 0.05 0.00 0.00 58.73 58.92 1krw h TYR 94 Cb 0.20 0.00 0.02 0.00 1.01 0.00 0.00 36.73 37.95 1krw h TYR 94 CO -0.03 0.00 -0.92 -0.56 -1.05 0.00 0.00 178.16 175.60 1krw h GLN 95 N 0.00 0.74 0.00 4.88 3.07 -0.67 -3.13 115.11 120.00 1krw h GLN 95 Ca 0.01 -0.70 0.00 0.00 0.09 0.00 0.00 58.65 58.05 1krw h GLN 95 Cb 0.12 0.18 0.00 0.00 0.08 0.00 0.00 27.48 27.85 1krw h GLN 95 CO -0.00 1.29 0.00 0.00 0.09 0.00 0.00 178.83 180.21 1krw n GLN 96 N -3.89 0.06 0.00 0.06 10.64 -0.28 -4.88 117.38 119.09 1krw n GLN 96 Ca -0.09 0.07 0.00 0.00 -1.83 0.00 0.00 57.00 55.15 1krw n GLN 96 Cb 0.82 -1.57 0.00 0.00 -0.86 0.00 0.00 30.24 28.63 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 1.34 1.79 3.75 2.61 0.00 -0.71 -4.29 105.19 109.67 1krw n GLY 97 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1krw n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1krw s ALA 98 N -2.00 2.90 -0.03 4.61 0.00 -0.11 -4.17 121.76 122.96 1krw s ALA 98 Ca 0.00 1.34 -0.23 0.00 0.00 0.00 0.00 51.96 53.07 1krw s ALA 98 Cb 0.00 -3.56 -0.17 0.00 0.00 0.00 0.00 23.12 19.39 1krw s ALA 98 CO 0.00 -1.31 1.01 0.35 0.00 0.00 0.00 175.76 175.81 1krw h PHE 99 N 1.63 -0.22 0.00 0.00 3.57 0.53 -3.44 116.94 119.01 1krw h PHE 99 Ca -0.51 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 60.99 1krw h PHE 99 Cb 1.29 0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.10 1krw h PHE 99 CO 0.47 0.20 0.00 -0.40 -2.23 0.00 0.00 178.31 176.35 1krw n ASP 100 N -4.96 0.00 -4.13 0.41 5.68 -1.13 -5.03 116.55 107.39 1krw n ASP 100 Ca -0.08 0.00 -0.14 0.00 -0.50 0.00 0.00 54.79 54.06 1krw n ASP 100 Cb 0.26 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.13 1krw n ASP 100 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 1krw s TYR 101 N -3.00 0.92 -0.27 2.11 1.51 -1.26 -2.56 117.35 114.80 1krw s TYR 101 Ca 0.00 -0.57 -0.08 0.00 -1.01 0.00 0.00 57.07 55.40 1krw s TYR 101 Cb 0.00 -0.53 -0.03 0.00 -0.11 0.00 0.00 41.96 41.30 1krw s TYR 101 CO 0.00 -0.03 0.11 -0.51 -1.11 0.00 0.00 175.55 174.00 1krw s LEU 102 N -1.99 3.69 -0.00 -1.29 1.02 -0.33 -4.96 118.68 114.80 1krw s LEU 102 Ca -0.02 -0.25 -0.06 0.00 0.02 0.00 0.00 54.13 53.83 1krw s LEU 102 Cb -0.07 -1.97 -0.03 0.00 0.02 0.00 0.00 46.19 44.14 1krw s LEU 102 CO 0.00 -0.07 0.69 -0.65 0.02 0.00 0.00 176.35 176.34 1krw h PRO 103 N 8.28 -0.20 0.00 1.29 0.11 -1.91 -3.20 132.00 136.37 1krw h PRO 103 Ca -0.36 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1krw h PRO 103 Cb 1.17 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1krw h PRO 103 CO 0.58 -0.13 0.00 1.63 -0.21 0.00 0.00 178.00 179.87 1krw n LYS 104 N -2.83 0.00 -0.85 1.05 5.02 -1.26 -4.70 118.16 114.60 1krw n LYS 104 Ca -0.03 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.93 1krw n LYS 104 Cb 0.08 -0.37 0.11 0.00 -0.02 0.00 0.00 35.03 34.83 1krw n LYS 104 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1krw n PRO 105 N -3.30 -0.22 0.00 1.97 -0.04 -1.26 -4.95 135.00 127.20 1krw n PRO 105 Ca 0.00 -0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1krw n PRO 105 Cb 0.00 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 31.75 1krw n PRO 105 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1krw n PHE 106 N -3.37 0.00 -0.42 0.54 7.35 -1.26 -4.90 117.46 115.39 1krw n PHE 106 Ca 0.05 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.77 1krw n PHE 106 Cb 0.54 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.36 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 -1.37 -0.16 -2.13 5.68 -1.26 -1.92 116.55 115.40 1krw n ASP 107 Ca 0.00 0.12 -0.11 0.00 -0.50 0.00 0.00 54.79 54.30 1krw n ASP 107 Cb 0.00 -1.53 -0.00 0.00 -1.14 0.00 0.00 41.12 38.45 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 -0.61 1.27 -0.08 2.12 5.03 -1.97 0.53 117.51 123.81 1krw h ILE 108 Ca -0.00 -1.27 0.03 0.00 -0.12 0.00 0.00 64.86 63.50 1krw h ILE 108 Cb 1.06 1.12 -0.06 0.00 -3.03 0.00 0.00 36.82 35.90 1krw h ILE 108 CO 0.00 0.44 -0.47 0.44 -0.68 0.00 0.00 178.15 177.89 1krw h ASP 109 N 0.77 -1.45 0.71 1.72 3.32 -1.98 0.92 116.42 120.42 1krw h ASP 109 Ca 0.12 0.18 -0.20 0.00 0.02 0.00 0.00 57.03 57.14 1krw h ASP 109 Cb 0.69 0.57 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 1krw h ASP 109 CO 0.05 -0.46 -0.93 -0.33 -1.72 0.00 0.00 179.24 175.84 1krw h GLU 110 N -0.56 0.13 0.55 3.56 4.39 -1.50 -1.92 114.58 119.23 1krw h GLU 110 Ca 0.05 -0.17 -0.03 0.00 0.34 0.00 0.00 59.36 59.56 1krw h GLU 110 Cb 0.66 0.05 0.01 0.00 -0.10 0.00 0.00 28.75 29.37 1krw h GLU 110 CO -0.38 0.97 -0.26 0.00 -1.16 0.00 0.00 179.01 178.17 1krw h ALA 111 N 0.97 -0.73 -0.23 3.43 0.00 -0.18 -0.72 119.26 121.79 1krw h ALA 111 Ca -0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1krw h ALA 111 Cb 1.60 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 1krw h ALA 111 CO 0.14 -0.73 0.11 0.28 0.00 0.00 0.00 179.25 179.05 1krw h VAL 112 N -1.10 1.09 -0.46 0.00 2.07 0.74 0.10 116.25 118.69 1krw h VAL 112 Ca -0.07 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 1krw h VAL 112 Cb 0.62 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1krw h VAL 112 CO 0.12 0.10 0.23 0.00 0.02 0.00 0.00 177.57 178.05 1krw h ALA 113 N 1.80 0.59 0.00 1.67 0.00 -1.27 0.28 119.26 122.32 1krw h ALA 113 Ca 0.08 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1krw h ALA 113 Cb 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1krw h ALA 113 CO -0.01 0.13 -0.28 1.25 0.00 0.00 0.00 179.25 180.35 1krw h LEU 114 N 0.60 0.00 0.17 0.00 5.85 -0.04 -3.13 115.31 118.75 1krw h LEU 114 Ca 0.16 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.64 1krw h LEU 114 Cb 0.09 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.15 1krw h LEU 114 CO -0.02 0.28 -1.05 1.62 -0.34 0.00 0.00 178.44 178.93 1krw h VAL 115 N 0.00 1.42 0.19 1.05 3.04 -0.33 -3.24 116.25 118.38 1krw h VAL 115 Ca -0.00 -2.55 -0.01 0.00 -1.01 0.00 0.00 66.70 63.12 1krw h VAL 115 Cb 0.96 3.08 0.00 0.00 -2.01 0.00 0.00 31.29 33.32 1krw h VAL 115 CO 0.04 0.74 -0.09 -0.33 -1.01 0.00 0.00 177.57 176.92 1krw h GLU 116 N -0.14 -0.25 -0.11 4.17 5.08 -1.00 -1.93 114.58 120.40 1krw h GLU 116 Ca -0.18 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1krw h GLU 116 Cb 1.81 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 31.12 1krw h GLU 116 CO 0.20 -0.15 0.16 0.07 -1.00 0.00 0.00 179.01 178.28 1krw h ARG 117 N -0.27 0.00 -0.15 2.33 0.11 -1.69 0.14 114.38 114.84 1krw h ARG 117 Ca -0.03 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.98 1krw h ARG 117 Cb 0.21 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.29 1krw h ARG 117 CO 0.04 0.00 -0.20 0.00 0.10 0.00 0.00 179.97 179.91 1krw h ALA 118 N 1.78 0.23 0.03 0.08 0.00 -1.38 -1.94 119.26 118.06 1krw h ALA 118 Ca 0.05 -0.36 -0.23 0.00 0.00 0.00 0.00 54.91 54.38 1krw h ALA 118 Cb 0.37 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1krw h ALA 118 CO -0.00 0.17 -1.00 0.82 0.00 0.00 0.00 179.25 179.24 1krw h ILE 119 N 0.04 1.48 -0.20 0.00 2.04 -0.91 -2.57 117.51 117.38 1krw h ILE 119 Ca 0.02 -2.72 -0.02 0.00 1.00 0.00 0.00 64.86 63.13 1krw h ILE 119 Cb 0.76 2.59 -0.01 0.00 -0.74 0.00 0.00 36.82 39.42 1krw h ILE 119 CO 0.05 0.80 0.03 0.28 0.00 0.00 0.00 178.15 179.31 1krw h SER 120 N 0.13 0.32 0.54 1.72 0.02 -0.82 0.59 113.55 116.05 1krw h SER 120 Ca -0.08 -0.26 -0.11 0.00 -0.84 0.00 0.00 61.79 60.51 1krw h SER 120 Cb 1.66 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 64.10 1krw h SER 120 CO 0.16 0.50 -0.51 0.45 -1.14 0.00 0.00 176.83 176.29 1krw h HIS 121 N 0.13 0.00 0.16 3.45 3.86 -1.43 -3.13 115.15 118.18 1krw h HIS 121 Ca 0.06 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.99 1krw h HIS 121 Cb 0.31 0.00 0.03 0.00 1.06 0.00 0.00 27.41 28.81 1krw h HIS 121 CO 0.02 0.51 -1.18 -0.92 0.86 0.00 0.00 177.93 177.21 1krw h TYR 122 N 0.00 0.88 -3.57 2.45 3.20 -1.26 -3.46 116.97 115.21 1krw h TYR 122 Ca -0.01 -0.60 -0.40 0.00 3.14 0.00 0.00 58.73 60.87 1krw h TYR 122 Cb 0.92 -0.06 0.18 0.00 1.54 0.00 0.00 36.73 39.31 1krw h TYR 122 CO 0.00 1.45 0.28 0.94 -1.64 0.00 0.00 178.16 179.18 1krw n GLN 123 N -3.87 -2.08 0.00 1.82 7.27 0.20 -5.08 117.38 115.64 1krw n GLN 123 Ca -0.15 -1.86 0.00 0.00 0.07 0.00 0.00 57.00 55.07 1krw n GLN 123 Cb 0.97 -1.44 0.00 0.00 2.41 0.00 0.00 30.24 32.17 1krw n GLN 123 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22