#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bal n ALA 2 N 0.00 0.00 -0.87 -0.72 0.00 -1.26 -5.06 120.51 112.60 1bal n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1bal n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1bal n ALA 2 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1bal n SER 3 N 0.00 0.00 0.02 0.00 7.64 -1.26 -4.74 113.62 115.28 1bal n SER 3 Ca 0.00 -0.53 0.11 0.00 1.01 0.00 0.00 58.87 59.46 1bal n SER 3 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 1bal n SER 3 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1bal n LEU 4 N 0.00 0.36 -2.68 -3.43 4.32 -1.26 -4.52 117.00 109.78 1bal n LEU 4 Ca 0.00 0.01 -0.08 0.00 -0.02 0.00 0.00 56.01 55.92 1bal n LEU 4 Cb 0.13 -0.03 0.05 0.00 -1.62 0.00 0.00 43.42 41.96 1bal n LEU 4 CO 0.00 -0.00 0.03 -0.62 -1.22 0.00 0.00 177.39 175.58 1bal n GLU 5 N -2.21 1.21 -2.26 3.23 1.02 -1.26 -5.12 120.64 115.25 1bal n GLU 5 Ca -0.01 -2.95 -0.26 0.00 -0.02 0.00 0.00 57.16 53.92 1bal n GLU 5 Cb 0.52 -1.00 0.10 0.00 -0.02 0.00 0.00 31.44 31.04 1bal n GLU 5 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1bal s GLU 6 N -2.47 1.73 -0.82 3.49 2.12 -1.26 -4.81 118.70 116.68 1bal s GLU 6 Ca 0.26 -0.54 -0.04 0.00 0.36 0.00 0.00 54.97 55.01 1bal s GLU 6 Cb 0.44 -2.15 0.15 0.00 0.26 0.00 0.00 34.13 32.82 1bal s GLU 6 CO 0.00 -1.53 2.44 1.04 -0.54 0.00 0.00 175.26 176.68 1bal n GLN 7 N -3.06 3.41 -3.05 4.30 1.13 -1.26 -4.66 117.38 114.18 1bal n GLN 7 Ca 0.11 -3.10 -0.12 0.00 -1.94 0.00 0.00 57.00 51.96 1bal n GLN 7 Cb 0.60 -2.33 -0.03 0.00 0.11 0.00 0.00 30.24 28.58 1bal n GLN 7 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 1bal s ASN 8 N -0.06 -0.33 0.00 1.08 0.01 -1.26 -4.94 114.94 109.44 1bal s ASN 8 Ca 0.54 -2.02 0.00 0.00 -0.71 0.00 0.00 52.86 50.68 1bal s ASN 8 Cb 0.32 1.08 0.00 0.00 0.41 0.00 0.00 41.25 43.06 1bal s ASN 8 CO -0.21 -0.12 0.27 -0.46 -1.51 0.00 0.00 177.10 175.08 1bal n ASN 9 N 3.20 0.00 -4.15 -1.22 2.04 -1.26 -4.96 115.26 108.90 1bal n ASN 9 Ca 0.20 -1.00 -0.43 0.00 -0.44 0.00 0.00 54.58 52.91 1bal n ASN 9 Cb 0.52 0.00 -0.00 0.00 -2.53 0.00 0.00 39.78 37.77 1bal n ASN 9 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 1bal n ASP 10 N 0.00 5.80 0.00 0.53 8.00 -1.26 -4.95 116.55 124.67 1bal n ASP 10 Ca 0.00 -3.22 0.00 0.00 0.71 0.00 0.00 54.79 52.28 1bal n ASP 10 Cb 0.41 -1.29 0.00 0.00 -0.02 0.00 0.00 41.12 40.22 1bal n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bal n ALA 11 N 2.00 0.00 -1.00 2.24 0.00 -1.26 -5.17 120.51 117.32 1bal n ALA 11 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1bal n ALA 11 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 1bal n ALA 11 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1bal n LEU 12 N 0.00 0.00 -4.90 0.00 4.77 -1.26 -5.05 117.00 110.56 1bal n LEU 12 Ca 0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.77 1bal n LEU 12 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1bal n LEU 12 CO 0.00 -1.02 -0.08 -0.55 -1.33 0.00 0.00 177.39 174.41 1bal s SER 13 N -1.61 5.87 0.10 -1.43 0.15 -1.26 -5.03 113.70 110.50 1bal s SER 13 Ca 0.00 -0.14 -0.17 0.00 0.70 0.00 0.00 55.95 56.34 1bal s SER 13 Cb 0.00 -1.53 -0.05 0.00 -1.71 0.00 0.00 66.02 62.72 1bal s SER 13 CO 0.00 -0.12 1.57 1.55 1.20 0.00 0.00 173.24 177.44 1bal h PRO 14 N 1.27 0.52 0.00 5.44 0.13 -2.04 -2.65 132.00 134.68 1bal h PRO 14 Ca -0.49 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 1bal h PRO 14 Cb 1.24 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1bal h PRO 14 CO 0.60 0.63 0.28 0.00 -0.23 0.00 0.00 178.00 179.28 1bal n ALA 15 N -2.34 0.61 0.51 -0.56 0.00 -1.26 -0.16 120.51 117.31 1bal n ALA 15 Ca -0.02 0.10 0.07 0.00 0.00 0.00 0.00 53.44 53.58 1bal n ALA 15 Cb 0.23 -0.74 0.32 0.00 0.00 0.00 0.00 19.45 19.25 1bal n ALA 15 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1bal n ILE 16 N -1.89 0.97 -0.09 0.00 3.06 -1.00 -2.47 119.36 117.93 1bal n ILE 16 Ca -0.01 0.24 -0.17 0.00 -2.50 0.00 0.00 62.75 60.32 1bal n ILE 16 Cb 0.30 -0.99 -0.09 0.00 0.54 0.00 0.00 39.64 39.40 1bal n ILE 16 CO 0.00 0.00 0.00 0.03 -2.50 0.00 0.00 176.55 174.08 1bal h ARG 17 N 0.00 0.00 -0.17 9.51 2.47 -0.77 -3.35 114.38 122.07 1bal h ARG 17 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1bal h ARG 17 Cb 0.25 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.57 1bal h ARG 17 CO 0.00 0.71 0.00 0.54 0.56 0.00 0.00 179.97 181.78 1bal n ARG 18 N -4.49 0.81 0.11 0.04 1.74 -1.19 -3.25 116.66 110.43 1bal n ARG 18 Ca -0.24 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.63 1bal n ARG 18 Cb 0.55 -1.09 -0.15 0.00 -1.02 0.00 0.00 32.46 30.75 1bal n ARG 18 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1bal h LEU 19 N 0.04 0.63 -0.76 0.55 5.85 -1.61 -2.49 115.31 117.51 1bal h LEU 19 Ca 0.00 -0.74 -0.10 0.00 0.84 0.00 0.00 57.88 57.88 1bal h LEU 19 Cb 0.09 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1bal h LEU 19 CO 0.00 1.59 -0.16 -0.07 -0.34 0.00 0.00 178.44 179.46 1bal h LEU 20 N 0.11 0.76 -0.30 2.25 3.38 -1.77 -2.79 115.31 116.96 1bal h LEU 20 Ca -0.24 -0.25 -0.20 0.00 0.09 0.00 0.00 57.88 57.28 1bal h LEU 20 Cb 2.09 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.62 1bal h LEU 20 CO 0.22 0.93 -0.86 0.00 0.09 0.00 0.00 178.44 178.83 1bal h ALA 21 N 1.14 0.51 -0.62 1.53 0.00 -1.75 0.18 119.26 120.25 1bal h ALA 21 Ca 0.11 -0.69 0.03 0.00 0.00 0.00 0.00 54.91 54.35 1bal h ALA 21 Cb 0.65 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 1bal h ALA 21 CO 0.05 0.86 0.38 1.49 0.00 0.00 0.00 179.25 182.03 1bal h GLU 22 N 0.16 0.72 -0.03 0.00 4.81 -1.23 -2.09 114.58 116.93 1bal h GLU 22 Ca -0.05 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1bal h GLU 22 Cb 1.47 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.69 1bal h GLU 22 CO 0.14 0.48 -0.02 0.72 -0.73 0.00 0.00 179.01 179.59 1bal n HIS 23 N -4.73 0.00 -3.38 0.92 8.25 -1.07 -4.99 115.22 110.21 1bal n HIS 23 Ca 0.06 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.39 1bal n HIS 23 Cb 0.09 -0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.21 1bal n HIS 23 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1bal n ASN 24 N 1.06 -6.50 -3.94 0.41 3.02 0.48 -5.01 115.26 104.79 1bal n ASN 24 Ca 0.15 -0.51 -0.11 0.00 -0.03 0.00 0.00 54.58 54.08 1bal n ASN 24 Cb 0.55 -3.91 -0.12 0.00 -0.61 0.00 0.00 39.78 35.68 1bal n ASN 24 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1bal s LEU 25 N -4.71 2.14 -0.35 3.41 1.43 -0.28 -5.02 118.68 115.30 1bal s LEU 25 Ca 0.09 -0.29 -0.17 0.00 -1.03 0.00 0.00 54.13 52.73 1bal s LEU 25 Cb -0.03 0.04 -0.00 0.00 0.03 0.00 0.00 46.19 46.23 1bal s LEU 25 CO 0.81 -0.16 0.48 -1.81 0.23 0.00 0.00 176.35 175.90 1bal s ASP 26 N -0.83 6.28 0.63 2.29 1.11 -1.26 -4.73 116.67 120.16 1bal s ASP 26 Ca -0.09 -0.11 0.39 0.00 0.18 0.00 0.00 52.55 52.92 1bal s ASP 26 Cb -0.06 -2.25 2.15 0.00 1.07 0.00 0.00 42.92 43.83 1bal s ASP 26 CO -0.01 -0.46 2.31 0.00 1.18 0.00 0.00 175.17 178.19 1bal h ALA 27 N 8.48 1.19 -0.12 5.23 0.00 -1.96 -1.47 119.26 130.61 1bal h ALA 27 Ca -0.28 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.66 1bal h ALA 27 Cb 1.13 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1bal h ALA 27 CO 0.76 0.01 0.36 0.66 0.00 0.00 0.00 179.25 181.04 1bal h SER 28 N 0.00 0.00 1.01 0.00 4.64 -2.05 0.71 113.55 117.86 1bal h SER 28 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1bal h SER 28 Cb 0.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 1bal h SER 28 CO 0.00 0.00 -1.01 0.00 -0.87 0.00 0.00 176.83 174.95 1bal h ALA 29 N 1.39 0.56 -2.53 5.18 0.00 -1.68 -3.44 119.26 118.73 1bal h ALA 29 Ca 0.06 -0.17 -0.63 0.00 0.00 0.00 0.00 54.91 54.17 1bal h ALA 29 Cb 0.78 0.05 -0.14 0.00 0.00 0.00 0.00 17.79 18.48 1bal h ALA 29 CO -0.00 0.18 -0.06 0.42 0.00 0.00 0.00 179.25 179.80 1bal s ILE 30 N -3.27 5.05 -0.25 0.00 -1.09 0.25 -5.04 121.20 116.85 1bal s ILE 30 Ca -0.00 0.58 -0.18 0.00 -2.23 0.00 0.00 60.65 58.82 1bal s ILE 30 Cb 0.09 -3.88 -0.03 0.00 -1.58 0.00 0.00 42.46 37.06 1bal s ILE 30 CO 0.79 -0.05 0.51 -1.59 -1.23 0.00 0.00 174.94 173.36 1bal s LYS 31 N 2.33 4.08 0.08 2.79 -2.85 -1.26 -4.95 119.74 119.96 1bal s LYS 31 Ca 0.19 0.31 -0.30 0.00 -1.00 0.00 0.00 55.97 55.17 1bal s LYS 31 Cb -0.16 -3.64 -0.06 0.00 -2.06 0.00 0.00 37.83 31.92 1bal s LYS 31 CO 0.11 -0.32 1.13 0.20 0.10 0.00 0.00 175.35 176.57 1bal s GLY 32 N 1.50 2.62 -0.11 0.59 0.00 -1.26 -4.90 107.32 105.76 1bal s GLY 32 Ca 0.21 0.78 0.03 0.00 0.00 0.00 0.00 44.72 45.74 1bal s GLY 32 CO 0.09 1.87 1.09 -1.30 0.00 0.00 0.00 173.10 174.85 1bal n THR 33 N 3.50 1.28 -0.54 0.90 -2.24 -1.26 -4.13 114.28 111.79 1bal n THR 33 Ca 0.07 -0.53 -0.31 0.00 -2.27 0.00 0.00 64.05 61.01 1bal n THR 33 Cb 0.47 -0.61 0.28 0.00 -2.10 0.00 0.00 70.33 68.37 1bal n THR 33 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1bal s GLY 34 N -0.02 1.45 0.00 3.38 0.00 -1.22 -4.85 107.32 106.06 1bal s GLY 34 Ca 0.18 -0.93 0.19 0.00 0.00 0.00 0.00 44.72 44.16 1bal s GLY 34 CO 0.04 0.08 1.59 -0.62 0.00 0.00 0.00 173.10 174.19 1bal n VAL 35 N -5.49 0.59 -2.42 1.40 0.31 -1.26 -3.29 118.33 108.16 1bal n VAL 35 Ca 0.14 0.15 -0.00 0.00 -0.01 0.00 0.00 64.34 64.61 1bal n VAL 35 Cb 0.60 -0.83 0.01 0.00 -0.91 0.00 0.00 33.84 32.71 1bal n VAL 35 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bal n GLY 36 N 0.36 1.07 2.22 2.92 0.00 -1.26 -4.95 105.19 105.55 1bal n GLY 36 Ca 0.07 -0.57 -0.02 0.00 0.00 0.00 0.00 46.02 45.49 1bal n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bal n GLY 37 N 0.00 0.55 3.76 -0.02 0.00 -1.21 -4.97 105.19 103.30 1bal n GLY 37 Ca -0.06 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 1bal n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bal s ARG 38 N -1.34 4.23 -0.33 1.61 0.52 -1.26 -4.20 118.95 118.18 1bal s ARG 38 Ca 0.00 2.38 -0.20 0.00 -0.52 0.00 0.00 55.73 57.39 1bal s ARG 38 Cb 0.00 -3.06 -0.01 0.00 0.52 0.00 0.00 34.95 32.40 1bal s ARG 38 CO 0.00 -0.43 0.59 -1.17 0.02 0.00 0.00 175.30 174.32 1bal s LEU 39 N -1.00 4.22 0.74 2.53 2.96 -1.26 -3.45 118.68 123.42 1bal s LEU 39 Ca 0.57 0.23 -0.00 0.00 -0.22 0.00 0.00 54.13 54.71 1bal s LEU 39 Cb -0.43 -2.74 0.14 0.00 0.50 0.00 0.00 46.19 43.66 1bal s LEU 39 CO 0.50 -0.50 1.02 0.42 -1.32 0.00 0.00 176.35 176.46 1bal s THR 40 N 2.56 2.04 -1.50 3.68 -4.23 -1.26 -4.99 115.64 111.94 1bal s THR 40 Ca 0.23 -0.62 0.26 0.00 -1.18 0.00 0.00 61.69 60.38 1bal s THR 40 Cb -0.15 -2.42 0.17 0.00 1.34 0.00 0.00 72.50 71.44 1bal s THR 40 CO 0.13 0.00 1.49 -1.14 -0.54 0.00 0.00 174.62 174.56 1bal n ARG 41 N -2.87 0.56 0.00 3.99 0.63 -1.26 -3.65 116.66 114.06 1bal n ARG 41 Ca 0.16 -0.34 0.13 0.00 -0.92 0.00 0.00 57.85 56.88 1bal n ARG 41 Cb 0.61 -1.49 0.28 0.00 0.45 0.00 0.00 32.46 32.31 1bal n ARG 41 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 1bal n GLU 42 N -0.93 1.74 -0.10 -0.14 0.00 -1.26 -3.85 120.64 116.10 1bal n GLU 42 Ca 0.10 -1.26 -0.17 0.00 0.00 0.00 0.00 57.16 55.82 1bal n GLU 42 Cb 0.35 -1.47 -0.07 0.00 0.00 0.00 0.00 31.44 30.24 1bal n GLU 42 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1bal n ASP 43 N 0.47 1.89 -0.14 4.31 8.00 -1.24 -3.97 116.55 125.87 1bal n ASP 43 Ca 0.15 0.43 -0.06 0.00 0.71 0.00 0.00 54.79 56.02 1bal n ASP 43 Cb 0.46 -0.86 0.03 0.00 -0.02 0.00 0.00 41.12 40.73 1bal n ASP 43 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1bal h VAL 44 N -1.00 1.02 -0.84 2.53 2.07 -1.76 -1.37 116.25 116.90 1bal h VAL 44 Ca -0.29 -0.17 0.17 0.00 0.82 0.00 0.00 66.70 67.23 1bal h VAL 44 Cb 1.14 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 31.33 1bal h VAL 44 CO -0.18 0.09 0.56 -0.08 0.02 0.00 0.00 177.57 177.98 1bal h GLU 45 N 0.50 0.43 -0.12 1.57 4.57 -1.78 0.16 114.58 119.91 1bal h GLU 45 Ca 0.18 -0.03 -0.14 0.00 -1.18 0.00 0.00 59.36 58.19 1bal h GLU 45 Cb 0.04 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 1bal h GLU 45 CO -0.10 0.28 -0.55 -0.22 -1.18 0.00 0.00 179.01 177.24 1bal h LYS 46 N 0.44 0.35 0.00 1.92 3.64 -1.39 -2.72 116.57 118.80 1bal h LYS 46 Ca 0.43 -0.22 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 1bal h LYS 46 Cb 0.99 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1bal h LYS 46 CO -0.15 0.81 -0.09 1.25 -2.27 0.00 0.00 179.45 178.99 1bal h HIS 47 N 0.27 0.00 0.00 1.91 2.76 -0.24 -3.26 115.15 116.58 1bal h HIS 47 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1bal h HIS 47 Cb 1.05 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.01 1bal h HIS 47 CO 0.03 0.09 -0.02 -0.07 -1.30 0.00 0.00 177.93 176.65 1bal h LEU 48 N 0.00 0.00 -8.08 0.26 3.38 -1.15 -3.49 115.31 106.22 1bal h LEU 48 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 1bal h LEU 48 Cb 0.41 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.04 1bal h LEU 48 CO 0.01 0.33 -0.30 0.00 0.09 0.00 0.00 178.44 178.56 1bal s ALA 49 N -2.73 -0.02 0.29 1.53 0.00 -1.10 -5.14 121.76 114.58 1bal s ALA 49 Ca -0.01 -0.87 -0.17 0.00 0.00 0.00 0.00 51.96 50.91 1bal s ALA 49 Cb 0.00 0.88 -0.09 0.00 0.00 0.00 0.00 23.12 23.91 1bal s ALA 49 CO 0.01 -0.66 0.73 0.15 0.00 0.00 0.00 175.76 176.00 1bal s LYS 50 N -3.97 4.10 0.00 0.00 1.02 -1.26 -4.38 119.74 115.24 1bal s LYS 50 Ca 0.17 0.75 0.00 0.00 0.02 0.00 0.00 55.97 56.91 1bal s LYS 50 Cb 0.03 -2.59 0.00 0.00 -0.52 0.00 0.00 37.83 34.75 1bal s LYS 50 CO 0.00 0.24 0.00 0.00 -0.92 0.00 0.00 175.35 174.67