#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 5.66 -2.90 -3.48 0.00 -1.26 -4.93 120.51 113.59 1bal n ALA 2 Ca 0.00 -4.40 -0.44 0.00 0.00 0.00 0.00 53.44 48.60 1bal n ALA 2 Cb 0.00 -2.76 -0.06 0.00 0.00 0.00 0.00 19.45 16.63 1bal n ALA 2 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1bal s SER 3 N 0.05 6.19 -0.01 0.00 1.04 -1.26 -4.88 113.70 114.83 1bal s SER 3 Ca 0.40 -1.21 0.06 0.00 0.48 0.00 0.00 55.95 55.68 1bal s SER 3 Cb 0.11 -2.25 0.17 0.00 0.10 0.00 0.00 66.02 64.15 1bal s SER 3 CO 0.00 -0.84 1.10 0.18 0.98 0.00 0.00 173.24 174.66 1bal n LEU 4 N 5.79 1.15 -0.02 2.42 4.32 -1.26 -3.70 117.00 125.70 1bal n LEU 4 Ca -0.10 -0.57 -0.21 0.00 -0.02 0.00 0.00 56.01 55.11 1bal n LEU 4 Cb 0.44 -0.17 -0.14 0.00 -1.62 0.00 0.00 43.42 41.93 1bal n LEU 4 CO 0.52 0.26 -0.91 -0.62 -1.22 0.00 0.00 177.39 175.43 1bal n GLU 5 N 0.07 0.74 -1.63 3.23 4.71 -1.26 -4.92 120.64 121.57 1bal n GLU 5 Ca 0.06 0.24 -0.42 0.00 -0.01 0.00 0.00 57.16 57.03 1bal n GLU 5 Cb 0.20 -1.67 0.00 0.00 -1.01 0.00 0.00 31.44 28.95 1bal n GLU 5 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 1bal n GLU 6 N -3.43 1.56 -1.98 3.49 2.13 -1.24 -4.88 120.64 116.28 1bal n GLU 6 Ca -0.34 0.55 -0.40 0.00 0.66 0.00 0.00 57.16 57.63 1bal n GLU 6 Cb 1.04 -2.09 -0.00 0.00 0.27 0.00 0.00 31.44 30.66 1bal n GLU 6 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1bal s GLN 7 N -1.91 4.02 0.36 5.31 1.11 -1.26 -5.01 119.66 122.28 1bal s GLN 7 Ca 0.60 2.28 0.01 0.00 0.01 0.00 0.00 55.36 58.27 1bal s GLN 7 Cb -0.59 -2.84 -0.03 0.00 -1.01 0.00 0.00 33.01 28.55 1bal s GLN 7 CO 0.59 -0.50 0.56 0.54 0.01 0.00 0.00 175.29 176.49 1bal s ASN 8 N -0.55 6.19 0.06 5.90 2.20 -1.26 -5.07 114.94 122.40 1bal s ASN 8 Ca 0.55 0.36 -0.23 0.00 -0.94 0.00 0.00 52.86 52.61 1bal s ASN 8 Cb -0.41 -1.88 -0.06 0.00 -2.00 0.00 0.00 41.25 36.90 1bal s ASN 8 CO 0.53 -0.37 0.68 0.54 -2.94 0.00 0.00 177.10 175.54 1bal s ASN 9 N -4.08 7.14 -0.30 3.54 4.22 -1.26 -5.04 114.94 119.17 1bal s ASN 9 Ca 0.41 1.36 -0.13 0.00 -2.14 0.00 0.00 52.86 52.36 1bal s ASN 9 Cb -0.10 -2.42 0.16 0.00 1.28 0.00 0.00 41.25 40.17 1bal s ASN 9 CO 0.36 0.13 0.92 -0.62 -2.04 0.00 0.00 177.10 175.85 1bal s ASP 10 N -0.49 -0.69 0.47 3.54 -1.08 -1.26 -5.02 116.67 112.14 1bal s ASP 10 Ca 0.34 0.87 0.15 0.00 -0.52 0.00 0.00 52.55 53.38 1bal s ASP 10 Cb -0.20 1.76 1.11 0.00 -1.46 0.00 0.00 42.92 44.13 1bal s ASP 10 CO 0.21 -0.13 2.04 0.00 0.52 0.00 0.00 175.17 177.81 1bal h ALA 11 N 7.65 2.03 -1.93 3.66 0.00 -2.09 -3.42 119.26 125.17 1bal h ALA 11 Ca -0.16 -0.01 -0.46 0.00 0.00 0.00 0.00 54.91 54.28 1bal h ALA 11 Cb 1.12 -0.06 0.10 0.00 0.00 0.00 0.00 17.79 18.95 1bal h ALA 11 CO 0.08 -0.11 0.22 -0.51 0.00 0.00 0.00 179.25 178.92 1bal s LEU 12 N -9.21 2.87 0.14 0.00 1.43 -1.26 -5.07 118.68 107.58 1bal s LEU 12 Ca -0.07 0.14 -0.10 0.00 -1.03 0.00 0.00 54.13 53.07 1bal s LEU 12 Cb 0.19 -2.58 -0.06 0.00 0.03 0.00 0.00 46.19 43.76 1bal s LEU 12 CO 0.72 -1.90 0.47 -0.55 0.23 0.00 0.00 176.35 175.32 1bal s SER 13 N -4.66 6.66 0.55 2.29 0.15 -1.26 -4.95 113.70 112.48 1bal s SER 13 Ca 0.65 0.87 0.37 0.00 0.70 0.00 0.00 55.95 58.54 1bal s SER 13 Cb -0.08 -2.21 1.97 0.00 -1.71 0.00 0.00 66.02 64.00 1bal s SER 13 CO 0.46 0.07 2.13 1.55 1.20 0.00 0.00 173.24 178.65 1bal h PRO 14 N 3.24 0.00 0.00 5.44 0.13 -1.98 -0.23 132.00 138.61 1bal h PRO 14 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1bal h PRO 14 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1bal h PRO 14 CO 0.68 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.45 1bal n ALA 15 N -1.99 2.28 -0.12 -0.56 0.00 -1.26 -3.52 120.51 115.34 1bal n ALA 15 Ca -0.02 -0.05 0.22 0.00 0.00 0.00 0.00 53.44 53.59 1bal n ALA 15 Cb 0.08 -1.46 0.65 0.00 0.00 0.00 0.00 19.45 18.71 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 0.68 0.00 0.00 2.10 -1.42 0.66 117.51 119.53 1bal h ILE 16 Ca 0.00 -0.04 -0.04 0.00 1.08 0.00 0.00 64.86 65.86 1bal h ILE 16 Cb 0.64 0.54 -0.01 0.00 -1.09 0.00 0.00 36.82 36.90 1bal h ILE 16 CO 0.00 0.02 -0.18 0.03 -1.08 0.00 0.00 178.15 176.94 1bal h ARG 17 N 0.13 0.00 0.00 2.19 3.08 -1.78 -2.90 114.38 115.10 1bal h ARG 17 Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.41 1bal h ARG 17 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1bal h ARG 17 CO -0.05 0.18 -0.92 0.54 -1.07 0.00 0.00 179.97 178.66 1bal n ARG 18 N -3.26 0.11 -0.14 0.04 1.74 0.21 -4.25 116.66 111.11 1bal n ARG 18 Ca 0.01 -0.01 -0.08 0.00 -0.77 0.00 0.00 57.85 57.00 1bal n ARG 18 Cb 0.46 -1.53 0.01 0.00 -1.02 0.00 0.00 32.46 30.38 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 0.00 0.51 -0.97 0.55 5.85 -0.77 -1.68 115.31 118.80 1bal h LEU 19 Ca 0.00 -0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.74 1bal h LEU 19 Cb 0.59 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.42 1bal h LEU 19 CO 0.00 0.40 0.63 -0.07 -0.34 0.00 0.00 178.44 179.06 1bal h LEU 20 N 0.58 1.01 -0.03 2.25 3.38 -1.74 0.24 115.31 120.99 1bal h LEU 20 Ca 0.16 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1bal h LEU 20 Cb -0.02 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.52 1bal h LEU 20 CO -0.03 0.65 0.00 0.00 0.09 0.00 0.00 178.44 179.15 1bal n ALA 21 N -2.36 2.63 0.24 1.53 0.00 -0.89 -0.32 120.51 121.34 1bal n ALA 21 Ca 0.14 -0.15 0.11 0.00 0.00 0.00 0.00 53.44 53.54 1bal n ALA 21 Cb 0.16 -1.36 -0.11 0.00 0.00 0.00 0.00 19.45 18.15 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 -0.82 0.50 0.00 0.00 2.13 0.81 -4.48 120.64 118.79 1bal n GLU 22 Ca 0.17 -0.10 0.00 0.00 0.66 0.00 0.00 57.16 57.89 1bal n GLU 22 Cb 0.08 -1.57 0.00 0.00 0.27 0.00 0.00 31.44 30.23 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 -2.16 0.00 -2.91 4.31 8.25 -1.09 -5.09 115.22 116.52 1bal n HIS 23 Ca -0.01 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.43 1bal n HIS 23 Cb 0.51 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.61 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 -0.13 -5.14 -4.01 0.41 4.13 0.57 -5.03 115.26 106.07 1bal n ASN 24 Ca 0.00 1.07 -0.08 0.00 1.68 0.00 0.00 54.58 57.25 1bal n ASN 24 Cb 0.10 -2.96 -0.10 0.00 -1.54 0.00 0.00 39.78 35.28 1bal n ASN 24 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1bal s LEU 25 N -0.38 2.17 -0.69 3.41 1.43 -1.25 -5.08 118.68 118.28 1bal s LEU 25 Ca -0.10 -0.81 -0.19 0.00 -1.03 0.00 0.00 54.13 52.01 1bal s LEU 25 Cb 0.01 0.40 0.12 0.00 0.03 0.00 0.00 46.19 46.74 1bal s LEU 25 CO 0.30 -0.57 0.83 -1.81 0.23 0.00 0.00 176.35 175.32 1bal s ASP 26 N -2.61 6.34 0.28 2.29 1.11 -1.26 -4.88 116.67 117.93 1bal s ASP 26 Ca 0.02 -1.65 -0.03 0.00 0.18 0.00 0.00 52.55 51.07 1bal s ASP 26 Cb 0.04 -2.32 0.39 0.00 1.07 0.00 0.00 42.92 42.09 1bal s ASP 26 CO -0.08 -1.08 1.92 0.00 1.18 0.00 0.00 175.17 177.11 1bal h ALA 27 N 9.00 1.32 0.00 5.23 0.00 -1.99 -0.76 119.26 132.06 1bal h ALA 27 Ca -0.16 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1bal h ALA 27 Cb 1.07 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1bal h ALA 27 CO 1.07 0.57 0.33 0.77 0.00 0.00 0.00 179.25 182.00 1bal h SER 28 N 1.10 0.00 0.00 0.00 0.02 -2.04 -1.42 113.55 111.21 1bal h SER 28 Ca 0.28 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 61.04 1bal h SER 28 Cb -0.02 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 1bal h SER 28 CO -0.05 0.00 -1.20 0.00 -1.14 0.00 0.00 176.83 174.44 1bal n ALA 29 N -1.69 0.75 -1.15 3.77 0.00 -0.30 -4.93 120.51 116.96 1bal n ALA 29 Ca -0.01 -0.54 -0.34 0.00 0.00 0.00 0.00 53.44 52.55 1bal n ALA 29 Cb 0.36 -0.34 0.11 0.00 0.00 0.00 0.00 19.45 19.58 1bal n ALA 29 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1bal n ILE 30 N -4.46 1.98 -2.75 0.00 2.08 -0.54 -4.89 119.36 110.78 1bal n ILE 30 Ca -0.28 -0.26 -0.43 0.00 0.56 0.00 0.00 62.75 62.34 1bal n ILE 30 Cb 0.60 -1.07 -0.04 0.00 -0.75 0.00 0.00 39.64 38.39 1bal n ILE 30 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 1bal s LYS 31 N -3.73 3.34 -0.02 0.38 2.20 -1.26 -4.87 119.74 115.78 1bal s LYS 31 Ca 0.71 -0.20 0.00 0.00 -0.36 0.00 0.00 55.97 56.12 1bal s LYS 31 Cb -0.30 -4.07 0.03 0.00 -1.51 0.00 0.00 37.83 31.97 1bal s LYS 31 CO 0.53 -1.63 0.99 0.41 -0.36 0.00 0.00 175.35 175.29 1bal n GLY 32 N 5.15 2.04 1.06 5.54 0.00 -1.26 -4.34 105.19 113.38 1bal n GLY 32 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.40 0.91 -0.28 2.61 -2.24 -1.26 -0.79 114.28 113.63 1bal n THR 33 Ca 0.02 -0.04 -0.30 0.00 -2.27 0.00 0.00 64.05 61.46 1bal n THR 33 Cb 0.52 -0.96 0.29 0.00 -2.10 0.00 0.00 70.33 68.07 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 0.69 -3.58 3.66 3.38 0.00 -0.21 -4.50 105.19 104.64 1bal n GLY 34 Ca 0.00 -1.58 -0.50 0.00 0.00 0.00 0.00 46.02 43.93 1bal n GLY 34 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1bal n VAL 35 N -5.66 0.48 -0.72 1.61 0.31 -1.26 0.56 118.33 113.65 1bal n VAL 35 Ca 0.11 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1bal n VAL 35 Cb 0.58 -1.76 0.00 0.00 -0.91 0.00 0.00 33.84 31.75 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 4.68 0.60 2.75 2.92 0.00 -1.26 -4.15 105.19 110.73 1bal n GLY 36 Ca 0.26 -0.33 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.72 -0.67 3.16 -0.02 0.00 0.19 -5.05 105.19 100.08 1bal n GLY 37 Ca 0.00 0.34 -0.09 0.00 0.00 0.00 0.00 46.02 46.27 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 -3.83 0.71 -1.28 1.61 0.52 0.03 -4.79 118.95 111.94 1bal s ARG 38 Ca 0.27 -0.87 -0.19 0.00 -0.52 0.00 0.00 55.73 54.42 1bal s ARG 38 Cb -0.04 0.28 0.03 0.00 0.52 0.00 0.00 34.95 35.74 1bal s ARG 38 CO 0.54 -0.20 1.84 -0.11 0.02 0.00 0.00 175.30 177.39 1bal n LEU 39 N 0.33 4.76 0.00 2.53 7.94 -1.24 -1.04 117.00 130.28 1bal n LEU 39 Ca -0.17 -3.76 -0.05 0.00 -1.11 0.00 0.00 56.01 50.93 1bal n LEU 39 Cb 0.60 -1.71 0.04 0.00 0.53 0.00 0.00 43.42 42.88 1bal n LEU 39 CO 0.23 -0.15 0.10 0.35 -1.11 0.00 0.00 177.39 176.81 1bal n THR 40 N 6.51 0.00 0.05 1.96 -2.24 -1.26 -4.92 114.28 114.38 1bal n THR 40 Ca 0.49 -0.08 -0.07 0.00 -2.27 0.00 0.00 64.05 62.12 1bal n THR 40 Cb 0.45 -1.05 -0.12 0.00 -2.10 0.00 0.00 70.33 67.52 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 -0.90 -0.78 2.43 -2.01 -3.26 114.38 109.86 1bal h ARG 41 Ca -0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1bal h ARG 41 Cb 0.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1bal h ARG 41 CO 0.05 0.86 0.00 0.39 -1.51 0.00 0.00 179.97 179.75 1bal n GLU 42 N -3.27 0.72 0.00 0.20 4.71 -1.26 -2.21 120.64 119.53 1bal n GLU 42 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.12 1bal n GLU 42 Cb 0.95 -1.29 0.00 0.00 -1.01 0.00 0.00 31.44 30.09 1bal n GLU 42 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1bal n ASP 43 N 0.30 1.91 -0.00 1.62 9.92 -1.23 -4.68 116.55 124.39 1bal n ASP 43 Ca 0.00 0.00 -0.21 0.00 -0.53 0.00 0.00 54.79 54.05 1bal n ASP 43 Cb 0.24 0.01 -0.14 0.00 -0.64 0.00 0.00 41.12 40.59 1bal n ASP 43 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1bal n VAL 44 N -1.95 1.76 0.20 2.53 0.31 -1.18 -3.93 118.33 116.07 1bal n VAL 44 Ca 0.00 -0.66 -0.09 0.00 -0.01 0.00 0.00 64.34 63.58 1bal n VAL 44 Cb 0.24 -1.68 -0.04 0.00 -0.91 0.00 0.00 33.84 31.44 1bal n VAL 44 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1bal h GLU 45 N 0.07 -0.55 -0.25 5.55 5.08 -1.75 -2.96 114.58 119.77 1bal h GLU 45 Ca -0.42 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.05 1bal h GLU 45 Cb 2.03 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 31.39 1bal h GLU 45 CO 0.08 -0.37 0.80 -0.22 -1.00 0.00 0.00 179.01 178.31 1bal h LYS 46 N -1.08 0.00 0.11 2.33 3.11 -1.70 1.30 116.57 120.64 1bal h LYS 46 Ca -0.06 0.00 -0.28 0.00 -2.81 0.00 0.00 60.65 57.50 1bal h LYS 46 Cb 0.44 0.00 0.02 0.00 -1.00 0.00 0.00 32.23 31.69 1bal h LYS 46 CO 0.10 0.00 -1.20 1.25 -2.81 0.00 0.00 179.45 176.78 1bal h HIS 47 N 0.00 0.86 -0.03 1.91 2.76 -1.65 -3.33 115.15 115.68 1bal h HIS 47 Ca 0.12 -0.55 -0.01 0.00 -2.20 0.00 0.00 60.37 57.73 1bal h HIS 47 Cb 1.72 -0.07 -0.00 0.00 1.55 0.00 0.00 27.41 30.61 1bal h HIS 47 CO 0.00 1.39 -0.03 -0.07 -1.30 0.00 0.00 177.93 177.92 1bal h LEU 48 N 0.23 0.07 0.00 0.26 3.38 0.18 -3.48 115.31 115.96 1bal h LEU 48 Ca -0.16 -0.52 -0.03 0.00 0.09 0.00 0.00 57.88 57.26 1bal h LEU 48 Cb 1.88 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.60 1bal h LEU 48 CO 0.22 0.58 0.02 0.00 0.09 0.00 0.00 178.44 179.35 1bal n ALA 49 N -2.38 -0.26 -2.67 1.53 0.00 -0.80 -5.13 120.51 110.80 1bal n ALA 49 Ca -0.08 -0.31 -0.40 0.00 0.00 0.00 0.00 53.44 52.66 1bal n ALA 49 Cb 0.29 0.24 -0.06 0.00 0.00 0.00 0.00 19.45 19.92 1bal n ALA 49 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1bal s LYS 50 N -2.08 4.24 0.00 0.00 1.02 -1.26 -4.03 119.74 117.63 1bal s LYS 50 Ca 0.05 0.61 0.00 0.00 0.02 0.00 0.00 55.97 56.65 1bal s LYS 50 Cb -0.01 -3.55 0.00 0.00 -0.52 0.00 0.00 37.83 33.75 1bal s LYS 50 CO 0.03 -0.17 0.00 0.00 -0.92 0.00 0.00 175.35 174.30