#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 5.07 -3.03 -0.72 0.00 -1.26 -4.77 120.51 115.80 1bal n ALA 2 Ca 0.00 -4.60 -0.15 0.00 0.00 0.00 0.00 53.44 48.69 1bal n ALA 2 Cb 0.00 -2.62 -0.03 0.00 0.00 0.00 0.00 19.45 16.80 1bal n ALA 2 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1bal n SER 3 N 2.56 -1.90 -0.09 0.00 3.41 -1.26 -5.00 113.62 111.34 1bal n SER 3 Ca 0.31 -2.75 -0.14 0.00 -0.26 0.00 0.00 58.87 56.02 1bal n SER 3 Cb 0.35 0.67 -0.06 0.00 -0.26 0.00 0.00 64.21 64.91 1bal n SER 3 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1bal n LEU 4 N 2.53 1.88 -2.16 1.04 4.77 -1.26 -4.39 117.00 119.40 1bal n LEU 4 Ca 0.21 0.47 -0.22 0.00 -0.03 0.00 0.00 56.01 56.44 1bal n LEU 4 Cb 0.54 -0.86 -0.00 0.00 -2.33 0.00 0.00 43.42 40.77 1bal n LEU 4 CO 0.05 -0.07 1.39 -1.84 -1.33 0.00 0.00 177.39 175.59 1bal n GLU 5 N -4.48 2.10 -0.01 3.23 -0.00 -1.26 -4.47 120.64 115.75 1bal n GLU 5 Ca -0.23 -1.97 -0.01 0.00 -0.00 0.00 0.00 57.16 54.96 1bal n GLU 5 Cb 0.53 -1.87 -0.00 0.00 -0.00 0.00 0.00 31.44 30.10 1bal n GLU 5 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1bal n GLU 6 N 0.53 0.06 0.00 3.44 2.13 -1.26 -4.99 120.64 120.55 1bal n GLU 6 Ca 0.40 0.24 0.00 0.00 0.66 0.00 0.00 57.16 58.45 1bal n GLU 6 Cb 0.57 -0.82 0.00 0.00 0.27 0.00 0.00 31.44 31.46 1bal n GLU 6 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1bal n GLN 7 N -2.58 3.28 0.00 5.31 6.02 -1.26 -4.85 117.38 123.29 1bal n GLN 7 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 1bal n GLN 7 Cb 0.04 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.30 1bal n GLN 7 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1bal n ASN 8 N 0.00 0.00 -2.85 1.08 5.03 -1.26 -4.87 115.26 112.39 1bal n ASN 8 Ca 0.00 0.00 -0.02 0.00 0.87 0.00 0.00 54.58 55.43 1bal n ASN 8 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 38.75 1bal n ASN 8 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1bal n ASN 9 N 6.88 -5.38 -4.56 6.41 4.13 -1.26 -4.74 115.26 116.75 1bal n ASN 9 Ca 0.00 1.12 -0.49 0.00 1.68 0.00 0.00 54.58 56.89 1bal n ASN 9 Cb 0.00 -3.87 -0.04 0.00 -1.54 0.00 0.00 39.78 34.33 1bal n ASN 9 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1bal n ASP 10 N 1.47 1.00 0.09 6.41 8.00 -1.26 -4.82 116.55 127.44 1bal n ASP 10 Ca -0.13 1.15 0.03 0.00 0.71 0.00 0.00 54.79 56.55 1bal n ASP 10 Cb 0.30 -1.18 0.42 0.00 -0.02 0.00 0.00 41.12 40.64 1bal n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bal h ALA 11 N 2.99 1.60 -3.00 2.24 0.00 -2.03 -3.43 119.26 117.64 1bal h ALA 11 Ca -0.42 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1bal h ALA 11 Cb 1.36 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1bal h ALA 11 CO 0.68 0.30 0.00 1.28 0.00 0.00 0.00 179.25 181.50 1bal n LEU 12 N -4.36 0.00 -4.91 0.00 4.77 -1.26 -5.06 117.00 106.18 1bal n LEU 12 Ca 0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.67 1bal n LEU 12 Cb 0.19 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.23 1bal n LEU 12 CO 0.37 -0.23 -0.10 -0.94 -1.33 0.00 0.00 177.39 175.16 1bal s SER 13 N -1.07 6.40 0.31 -1.43 1.04 -1.26 -5.00 113.70 112.69 1bal s SER 13 Ca 0.00 0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.81 1bal s SER 13 Cb 0.00 -2.01 0.48 0.00 0.10 0.00 0.00 66.02 64.60 1bal s SER 13 CO 0.00 0.16 1.89 1.55 0.98 0.00 0.00 173.24 177.82 1bal h PRO 14 N 3.15 0.83 -0.33 4.02 0.13 -1.97 -1.92 132.00 135.92 1bal h PRO 14 Ca -0.46 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 1bal h PRO 14 Cb 1.17 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1bal h PRO 14 CO 0.74 0.68 0.00 0.00 -0.23 0.00 0.00 178.00 179.18 1bal n ALA 15 N -2.45 2.10 0.13 -0.56 0.00 -1.26 -3.07 120.51 115.39 1bal n ALA 15 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.50 1bal n ALA 15 Cb 0.16 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.61 1bal n ALA 15 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1bal h ILE 16 N 0.00 0.90 -0.00 0.00 2.10 -1.75 -3.07 117.51 115.69 1bal h ILE 16 Ca 0.00 -2.30 -0.00 0.00 1.08 0.00 0.00 64.86 63.64 1bal h ILE 16 Cb 0.16 2.43 0.00 0.00 -1.09 0.00 0.00 36.82 38.32 1bal h ILE 16 CO 0.00 0.52 -0.01 0.03 -1.08 0.00 0.00 178.15 177.60 1bal h ARG 17 N 0.00 0.01 0.00 2.19 3.08 -1.77 -3.18 114.38 114.71 1bal h ARG 17 Ca -0.02 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1bal h ARG 17 Cb 1.43 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.48 1bal h ARG 17 CO 0.07 0.68 -0.11 0.00 -1.07 0.00 0.00 179.97 179.54 1bal h ARG 18 N -0.65 0.00 -0.99 0.04 3.08 -1.80 -2.23 114.38 111.84 1bal h ARG 18 Ca -0.00 0.00 0.18 0.00 0.07 0.00 0.00 59.98 60.23 1bal h ARG 18 Cb 0.68 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.63 1bal h ARG 18 CO 0.00 0.11 0.61 1.25 -1.07 0.00 0.00 179.97 180.87 1bal h LEU 19 N 0.00 0.74 0.03 3.04 5.85 -1.51 0.17 115.31 123.63 1bal h LEU 19 Ca -0.00 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1bal h LEU 19 Cb 0.20 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1bal h LEU 19 CO 0.01 0.29 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.32 1bal h LEU 20 N 0.74 -0.04 0.00 2.25 3.38 -1.50 -3.04 115.31 117.09 1bal h LEU 20 Ca 0.55 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1bal h LEU 20 Cb 0.89 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1bal h LEU 20 CO -0.33 0.74 0.00 0.00 0.09 0.00 0.00 178.44 178.94 1bal n ALA 21 N -2.60 1.48 -0.09 1.53 0.00 -0.91 0.20 120.51 120.11 1bal n ALA 21 Ca -0.08 -0.02 -0.23 0.00 0.00 0.00 0.00 53.44 53.11 1bal n ALA 21 Cb 0.33 -1.05 -0.12 0.00 0.00 0.00 0.00 19.45 18.62 1bal n ALA 21 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1bal n GLU 22 N -1.13 0.63 0.00 0.00 2.13 0.53 -4.36 120.64 118.44 1bal n GLU 22 Ca 0.02 0.35 0.12 0.00 0.66 0.00 0.00 57.16 58.31 1bal n GLU 22 Cb 0.02 -1.63 0.19 0.00 0.27 0.00 0.00 31.44 30.28 1bal n GLU 22 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1bal n HIS 23 N -3.97 0.00 -3.07 4.31 8.25 -0.81 -5.02 115.22 114.90 1bal n HIS 23 Ca -0.40 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.04 1bal n HIS 23 Cb 0.87 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.97 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 0.55 -6.94 -4.37 0.41 3.02 0.13 -4.98 115.26 103.08 1bal n ASN 24 Ca 0.14 0.66 -0.29 0.00 -0.03 0.00 0.00 54.58 55.05 1bal n ASN 24 Cb 0.49 -2.63 -0.14 0.00 -0.61 0.00 0.00 39.78 36.89 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 -1.25 2.26 -0.39 3.41 1.43 -1.25 -5.08 118.68 117.81 1bal s LEU 25 Ca 0.02 -0.68 -0.17 0.00 -1.03 0.00 0.00 54.13 52.27 1bal s LEU 25 Cb -0.00 -1.23 0.01 0.00 0.03 0.00 0.00 46.19 44.99 1bal s LEU 25 CO 0.25 0.21 0.42 1.51 0.23 0.00 0.00 176.35 178.97 1bal s ASP 26 N -1.71 6.20 0.00 2.29 1.47 -1.26 -4.91 116.67 118.76 1bal s ASP 26 Ca 0.13 -0.45 0.11 0.00 1.18 0.00 0.00 52.55 53.52 1bal s ASP 26 Cb -0.10 -2.22 0.59 0.00 -0.34 0.00 0.00 42.92 40.85 1bal s ASP 26 CO 0.04 -0.49 1.20 0.00 0.68 0.00 0.00 175.17 176.60 1bal n ALA 27 N 5.55 1.75 0.23 2.11 0.00 -1.26 -2.13 120.51 126.76 1bal n ALA 27 Ca -0.08 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.42 1bal n ALA 27 Cb 0.48 -1.18 0.45 0.00 0.00 0.00 0.00 19.45 19.21 1bal n ALA 27 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1bal h SER 28 N 0.00 0.00 0.01 0.00 0.02 -2.05 -2.77 113.55 108.76 1bal h SER 28 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1bal h SER 28 Cb 0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1bal h SER 28 CO 0.00 0.19 -0.42 0.00 -1.14 0.00 0.00 176.83 175.46 1bal n ALA 29 N -2.19 3.43 -2.79 3.77 0.00 -0.91 -4.93 120.51 116.89 1bal n ALA 29 Ca 0.01 -0.62 -0.28 0.00 0.00 0.00 0.00 53.44 52.55 1bal n ALA 29 Cb 0.43 -0.83 -0.06 0.00 0.00 0.00 0.00 19.45 18.99 1bal n ALA 29 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1bal s ILE 30 N -2.44 4.50 -0.59 0.00 -1.09 -1.05 -5.07 121.20 115.46 1bal s ILE 30 Ca 0.20 -0.97 -0.15 0.00 -2.23 0.00 0.00 60.65 57.50 1bal s ILE 30 Cb 0.18 -3.25 0.15 0.00 -1.58 0.00 0.00 42.46 37.96 1bal s ILE 30 CO 0.55 -0.02 0.54 -0.75 -1.23 0.00 0.00 174.94 174.02 1bal s LYS 31 N -2.84 3.08 -0.98 2.79 2.47 -1.26 -4.95 119.74 118.04 1bal s LYS 31 Ca 0.30 -1.86 -0.25 0.00 -1.56 0.00 0.00 55.97 52.61 1bal s LYS 31 Cb -0.11 -4.30 -0.21 0.00 -1.46 0.00 0.00 37.83 31.74 1bal s LYS 31 CO 0.23 -1.32 2.09 0.41 0.16 0.00 0.00 175.35 176.92 1bal n GLY 32 N 4.99 -0.41 1.22 5.54 0.00 -1.26 -4.56 105.19 110.71 1bal n GLY 32 Ca -0.08 0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.15 1bal n GLY 32 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bal n THR 33 N 8.77 0.84 0.00 2.61 -2.24 -1.24 -3.47 114.28 119.55 1bal n THR 33 Ca 0.39 -0.87 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 1bal n THR 33 Cb 0.46 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 1bal n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bal n GLY 34 N 1.56 -2.79 3.59 3.38 0.00 0.22 -4.63 105.19 106.53 1bal n GLY 34 Ca 0.22 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 1bal n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bal s VAL 35 N -0.62 3.46 0.00 1.61 1.01 -1.26 -2.80 120.40 121.81 1bal s VAL 35 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.44 1bal s VAL 35 Cb 0.00 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1bal s VAL 35 CO 0.00 -0.45 0.00 0.61 0.00 0.00 0.00 175.10 175.26 1bal n GLY 36 N 5.44 0.54 2.29 4.51 0.00 -1.26 -3.83 105.19 112.89 1bal n GLY 36 Ca 0.23 -0.37 -0.05 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.66 -0.33 3.96 -0.02 0.00 -1.12 -4.89 105.19 102.13 1bal n GLY 37 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1bal n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bal s ARG 38 N -4.57 3.20 -0.18 1.61 3.52 -1.23 -4.71 118.95 116.59 1bal s ARG 38 Ca 0.00 -0.62 -0.19 0.00 -0.13 0.00 0.00 55.73 54.79 1bal s ARG 38 Cb 0.00 -2.68 -0.03 0.00 -1.56 0.00 0.00 34.95 30.67 1bal s ARG 38 CO 0.00 -0.03 0.52 -1.17 -0.81 0.00 0.00 175.30 173.81 1bal s LEU 39 N -4.35 4.17 0.00 -0.88 2.96 -1.26 -0.61 118.68 118.71 1bal s LEU 39 Ca 0.44 0.71 0.01 0.00 -0.22 0.00 0.00 54.13 55.07 1bal s LEU 39 Cb -0.10 -2.72 -0.00 0.00 0.50 0.00 0.00 46.19 43.87 1bal s LEU 39 CO 0.35 -0.15 0.02 0.35 -1.32 0.00 0.00 176.35 175.60 1bal n THR 40 N 4.40 0.00 0.14 3.68 -2.24 -1.26 -4.96 114.28 114.04 1bal n THR 40 Ca -0.05 -0.35 0.02 0.00 -2.27 0.00 0.00 64.05 61.40 1bal n THR 40 Cb 0.51 0.13 0.06 0.00 -2.10 0.00 0.00 70.33 68.93 1bal n THR 40 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1bal h ARG 41 N 0.00 0.00 -0.64 -0.78 2.43 -1.97 -3.12 114.38 110.29 1bal h ARG 41 Ca -0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1bal h ARG 41 Cb 0.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1bal h ARG 41 CO 0.07 0.54 0.00 0.39 -1.51 0.00 0.00 179.97 179.46 1bal n GLU 42 N -3.29 0.74 0.00 0.20 -0.58 -1.26 -2.25 120.64 114.21 1bal n GLU 42 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 1bal n GLU 42 Cb 0.72 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 30.27 1bal n GLU 42 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1bal n ASP 43 N 0.04 1.94 0.08 1.62 9.92 -1.18 -4.81 116.55 124.17 1bal n ASP 43 Ca 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.16 1bal n ASP 43 Cb 0.16 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.55 1bal n ASP 43 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 1bal h VAL 44 N 0.00 1.58 -0.31 2.53 2.07 -1.55 -3.21 116.25 117.36 1bal h VAL 44 Ca 0.00 -3.07 0.09 0.00 0.82 0.00 0.00 66.70 64.54 1bal h VAL 44 Cb 0.49 2.77 -0.01 0.00 -1.52 0.00 0.00 31.29 33.02 1bal h VAL 44 CO 0.00 0.89 0.82 1.05 0.02 0.00 0.00 177.57 180.35 1bal h GLU 45 N 0.05 0.00 -1.00 1.57 -0.00 -1.76 1.29 114.58 114.75 1bal h GLU 45 Ca -0.06 0.00 -0.33 0.00 -0.00 0.00 0.00 59.36 58.96 1bal h GLU 45 Cb 1.76 0.00 -0.20 0.00 -0.00 0.00 0.00 28.75 30.31 1bal h GLU 45 CO 0.16 0.00 0.42 1.17 -0.00 0.00 0.00 179.01 180.76 1bal n LYS 46 N -2.93 1.83 0.00 1.06 4.81 -1.21 -4.05 118.16 117.67 1bal n LYS 46 Ca 0.06 -1.95 0.00 0.00 -0.87 0.00 0.00 58.31 55.55 1bal n LYS 46 Cb 0.94 -1.77 0.00 0.00 0.02 0.00 0.00 35.03 34.22 1bal n LYS 46 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 1bal n HIS 47 N -0.56 0.00 0.32 5.64 -0.00 0.44 -4.78 115.22 116.30 1bal n HIS 47 Ca 0.39 0.00 0.06 0.00 0.46 0.00 0.00 57.72 58.62 1bal n HIS 47 Cb 1.26 0.00 0.31 0.00 -0.12 0.00 0.00 29.99 31.44 1bal n HIS 47 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 1bal h LEU 48 N 0.00 0.00 -7.18 0.27 3.38 -1.68 -3.31 115.31 106.79 1bal h LEU 48 Ca 0.00 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.57 1bal h LEU 48 Cb 0.08 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 40.44 1bal h LEU 48 CO 0.00 0.00 -0.73 0.00 0.09 0.00 0.00 178.44 177.80 1bal s ALA 49 N -3.99 0.25 -0.47 1.53 0.00 -1.26 -5.08 121.76 112.74 1bal s ALA 49 Ca -0.01 0.03 -0.26 0.00 0.00 0.00 0.00 51.96 51.72 1bal s ALA 49 Cb 0.03 -0.83 -0.07 0.00 0.00 0.00 0.00 23.12 22.26 1bal s ALA 49 CO 0.10 -0.79 2.41 0.36 0.00 0.00 0.00 175.76 177.84 1bal n LYS 50 N 5.30 1.11 0.00 0.00 0.00 -1.25 -4.98 118.16 118.34 1bal n LYS 50 Ca -0.05 0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 1bal n LYS 50 Cb 0.50 -3.43 0.00 0.00 -0.00 0.00 0.00 35.03 32.09 1bal n LYS 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40