#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bal s ALA 2 N 0.00 4.03 0.74 2.98 0.00 -1.26 -5.11 121.76 123.14 1bal s ALA 2 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 51.96 50.27 1bal s ALA 2 Cb 0.00 -1.88 0.14 0.00 0.00 0.00 0.00 23.12 21.38 1bal s ALA 2 CO 0.00 -1.04 1.00 -1.13 0.00 0.00 0.00 175.76 174.59 1bal n SER 3 N -2.49 1.39 -3.79 0.00 3.41 -1.26 -4.97 113.62 105.90 1bal n SER 3 Ca 0.13 -2.16 -0.42 0.00 -0.26 0.00 0.00 58.87 56.15 1bal n SER 3 Cb 0.60 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 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 0.00 6.82 0.00 1.04 4.77 -1.26 -4.29 117.00 124.08 1bal n LEU 4 Ca 0.17 -4.46 0.00 0.00 -0.03 0.00 0.00 56.01 51.69 1bal n LEU 4 Cb 0.59 -1.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.14 1bal n LEU 4 CO 0.40 1.31 0.00 1.21 -1.33 0.00 0.00 177.39 178.98 1bal n GLU 5 N 4.64 0.00 -3.59 3.23 2.13 -1.26 -5.12 120.64 120.67 1bal n GLU 5 Ca 0.46 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.92 1bal n GLU 5 Cb 0.37 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.00 1bal n GLU 5 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1bal s GLU 6 N -0.62 4.23 -1.15 5.31 2.56 -1.26 -5.02 118.70 122.76 1bal s GLU 6 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.97 54.87 1bal s GLU 6 Cb 0.00 -3.43 0.25 0.00 2.00 0.00 0.00 34.13 32.94 1bal s GLU 6 CO 0.00 0.24 1.27 1.04 -0.56 0.00 0.00 175.26 177.25 1bal n GLN 7 N 3.62 3.57 -2.75 4.30 1.13 -1.26 -4.37 117.38 121.63 1bal n GLN 7 Ca -0.13 -4.25 -0.21 0.00 -1.94 0.00 0.00 57.00 50.47 1bal n GLN 7 Cb 0.52 -2.71 0.06 0.00 0.11 0.00 0.00 30.24 28.22 1bal n GLN 7 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1bal s ASN 8 N 1.51 5.01 -1.32 1.08 3.84 -1.26 -4.48 114.94 119.32 1bal s ASN 8 Ca 0.35 -0.33 -0.08 0.00 0.21 0.00 0.00 52.86 53.01 1bal s ASN 8 Cb -0.06 -0.37 0.01 0.00 -0.55 0.00 0.00 41.25 40.28 1bal s ASN 8 CO -0.04 -1.35 1.15 -3.20 -2.79 0.00 0.00 177.10 170.87 1bal n ASN 9 N -2.41 -5.75 -2.50 -4.21 5.15 -1.26 -4.86 115.26 99.42 1bal n ASN 9 Ca 0.12 -0.54 -0.04 0.00 -0.60 0.00 0.00 54.58 53.52 1bal n ASN 9 Cb 0.60 -4.99 0.03 0.00 -0.53 0.00 0.00 39.78 34.88 1bal n ASN 9 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 1bal n ASP 10 N -2.98 -1.15 0.00 1.20 5.68 -1.26 -5.10 116.55 112.94 1bal n ASP 10 Ca -0.03 -1.76 0.00 0.00 -0.50 0.00 0.00 54.79 52.50 1bal n ASP 10 Cb 0.57 0.83 0.00 0.00 -1.14 0.00 0.00 41.12 41.39 1bal n ASP 10 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1bal n ALA 11 N -0.55 0.00 -2.33 2.12 0.00 -1.26 -5.13 120.51 113.36 1bal n ALA 11 Ca -0.18 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.07 1bal n ALA 11 Cb 0.68 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.26 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 -4.52 0.00 4.77 -1.26 -5.04 117.00 110.95 1bal n LEU 12 Ca 0.00 -1.65 -0.42 0.00 -0.03 0.00 0.00 56.01 53.90 1bal n LEU 12 Cb 0.00 -0.65 -0.08 0.00 -2.33 0.00 0.00 43.42 40.35 1bal n LEU 12 CO 0.00 -1.04 0.18 -0.55 -1.33 0.00 0.00 177.39 174.65 1bal s SER 13 N -4.72 6.25 0.10 -1.43 0.15 -1.26 -4.91 113.70 107.89 1bal s SER 13 Ca 0.60 -0.35 0.08 0.00 0.70 0.00 0.00 55.95 56.97 1bal s SER 13 Cb -0.03 -2.25 0.40 0.00 -1.71 0.00 0.00 66.02 62.44 1bal s SER 13 CO 0.40 -0.55 1.24 -2.65 1.20 0.00 0.00 173.24 172.88 1bal n PRO 14 N 5.73 0.05 0.00 5.44 -0.02 -1.26 -0.01 135.00 144.93 1bal n PRO 14 Ca -0.06 0.53 0.10 0.00 -2.02 0.00 0.00 63.50 62.06 1bal n PRO 14 Cb 0.48 -1.65 -0.05 0.00 -0.02 0.00 0.00 33.50 32.27 1bal n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bal n ALA 15 N -1.59 4.41 -0.30 3.55 0.00 -1.26 -4.31 120.51 121.01 1bal n ALA 15 Ca -0.00 -0.57 0.25 0.00 0.00 0.00 0.00 53.44 53.11 1bal n ALA 15 Cb 0.02 -0.82 0.57 0.00 0.00 0.00 0.00 19.45 19.21 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 0.38 0.53 0.01 0.00 2.10 -0.83 1.79 117.51 121.49 1bal h ILE 16 Ca 0.00 -0.10 -0.11 0.00 1.08 0.00 0.00 64.86 65.72 1bal h ILE 16 Cb 0.54 0.20 0.01 0.00 -1.09 0.00 0.00 36.82 36.48 1bal h ILE 16 CO 0.00 0.05 -0.45 0.03 -1.08 0.00 0.00 178.15 176.70 1bal h ARG 17 N 0.30 0.28 -0.00 2.19 3.08 -1.76 -3.18 114.38 115.30 1bal h ARG 17 Ca 0.56 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 60.28 1bal h ARG 17 Cb 1.60 0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.75 1bal h ARG 17 CO -0.21 1.04 -0.00 0.54 -1.07 0.00 0.00 179.97 180.27 1bal n ARG 18 N -4.34 0.54 0.00 0.04 5.12 -0.00 -3.50 116.66 114.51 1bal n ARG 18 Ca -0.10 -0.01 0.06 0.00 -1.93 0.00 0.00 57.85 55.87 1bal n ARG 18 Cb 0.61 -1.50 0.46 0.00 -1.16 0.00 0.00 32.46 30.87 1bal n ARG 18 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1bal h LEU 19 N 0.02 0.42 -1.06 0.55 5.85 0.27 0.19 115.31 121.54 1bal h LEU 19 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1bal h LEU 19 Cb 0.24 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1bal h LEU 19 CO 0.00 0.29 0.00 -0.07 -0.34 0.00 0.00 178.44 178.32 1bal h LEU 20 N 0.49 0.00 0.00 2.25 3.38 -1.74 -2.53 115.31 117.16 1bal h LEU 20 Ca 0.17 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.93 1bal h LEU 20 Cb 0.07 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 1bal h LEU 20 CO -0.04 0.00 -1.87 0.00 0.09 0.00 0.00 178.44 176.62 1bal n ALA 21 N -1.87 1.96 -0.10 1.53 0.00 0.57 -1.53 120.51 121.06 1bal n ALA 21 Ca 0.01 -0.81 -0.12 0.00 0.00 0.00 0.00 53.44 52.52 1bal n ALA 21 Cb 0.23 -0.65 -0.04 0.00 0.00 0.00 0.00 19.45 18.99 1bal n ALA 21 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1bal h GLU 22 N 0.00 0.61 0.00 0.00 4.81 -0.86 -3.27 114.58 115.87 1bal h GLU 22 Ca -0.26 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 1bal h GLU 22 Cb 1.70 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.07 1bal h GLU 22 CO 0.03 0.86 -1.95 0.72 -0.73 0.00 0.00 179.01 177.94 1bal n HIS 23 N -4.40 0.00 -2.63 0.92 8.25 -1.11 -5.00 115.22 111.25 1bal n HIS 23 Ca -0.03 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.38 1bal n HIS 23 Cb 0.38 -0.48 0.02 0.00 1.12 0.00 0.00 29.99 31.03 1bal n HIS 23 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1bal n ASN 24 N -2.22 -2.70 -4.85 0.41 4.05 -0.58 -5.04 115.26 104.33 1bal n ASN 24 Ca -0.04 -0.11 -0.37 0.00 0.45 0.00 0.00 54.58 54.52 1bal n ASN 24 Cb 0.56 -1.39 -0.06 0.00 1.23 0.00 0.00 39.78 40.11 1bal n ASN 24 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1bal s LEU 25 N -2.36 4.36 -0.34 1.20 1.43 -0.84 -5.00 118.68 117.12 1bal s LEU 25 Ca 0.09 0.44 -0.16 0.00 -1.03 0.00 0.00 54.13 53.47 1bal s LEU 25 Cb -0.04 -2.09 -0.01 0.00 0.03 0.00 0.00 46.19 44.08 1bal s LEU 25 CO 0.14 0.36 0.41 -1.81 0.23 0.00 0.00 176.35 175.68 1bal s ASP 26 N -0.75 6.22 0.55 2.29 1.11 -1.26 -4.75 116.67 120.09 1bal s ASP 26 Ca 0.14 -0.14 0.30 0.00 0.18 0.00 0.00 52.55 53.03 1bal s ASP 26 Cb -0.12 -2.22 1.47 0.00 1.07 0.00 0.00 42.92 43.12 1bal s ASP 26 CO 0.03 -0.37 1.90 0.00 1.18 0.00 0.00 175.17 177.91 1bal h ALA 27 N 8.44 2.67 -1.01 5.23 0.00 -1.97 0.15 119.26 132.77 1bal h ALA 27 Ca -0.29 -0.03 0.29 0.00 0.00 0.00 0.00 54.91 54.88 1bal h ALA 27 Cb 1.14 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 1bal h ALA 27 CO 0.71 -0.97 0.75 0.77 0.00 0.00 0.00 179.25 180.51 1bal h SER 28 N 0.00 0.00 0.80 0.00 0.02 -2.05 0.62 113.55 112.94 1bal h SER 28 Ca 0.36 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 61.07 1bal h SER 28 Cb 1.52 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.05 1bal h SER 28 CO -0.00 0.00 -1.14 0.00 -1.14 0.00 0.00 176.83 174.55 1bal h ALA 29 N 1.45 0.23 -2.28 3.77 0.00 -1.11 -3.45 119.26 117.86 1bal h ALA 29 Ca 0.48 -0.91 -0.46 0.00 0.00 0.00 0.00 54.91 54.02 1bal h ALA 29 Cb 1.98 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.69 1bal h ALA 29 CO -0.01 1.12 0.33 0.42 0.00 0.00 0.00 179.25 181.11 1bal s ILE 30 N -2.68 4.31 -1.17 0.00 -1.09 0.21 -4.98 121.20 115.81 1bal s ILE 30 Ca -0.02 1.65 -0.08 0.00 -2.23 0.00 0.00 60.65 59.97 1bal s ILE 30 Cb 0.08 -3.82 0.24 0.00 -1.58 0.00 0.00 42.46 37.38 1bal s ILE 30 CO 0.85 -0.06 1.52 2.29 -1.23 0.00 0.00 174.94 178.31 1bal n LYS 31 N 0.04 3.84 -1.50 2.79 2.85 -1.26 -4.94 118.16 119.97 1bal n LYS 31 Ca 0.04 -4.10 -0.15 0.00 -1.05 0.00 0.00 58.31 53.05 1bal n LYS 31 Cb 0.52 -2.74 -0.12 0.00 -0.65 0.00 0.00 35.03 32.04 1bal n LYS 31 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1bal n GLY 32 N 2.54 -0.28 0.00 2.58 0.00 -1.26 -4.75 105.19 104.01 1bal n GLY 32 Ca 0.32 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 7.61 0.00 -2.03 2.61 -2.24 -1.26 -4.20 114.28 114.78 1bal n THR 33 Ca 0.48 0.74 0.00 0.00 -2.27 0.00 0.00 64.05 63.00 1bal n THR 33 Cb 0.36 -1.46 0.00 0.00 -2.10 0.00 0.00 70.33 67.13 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 0.68 0.55 3.43 3.38 0.00 -1.11 -0.54 105.19 111.57 1bal n GLY 34 Ca 0.00 -0.81 -0.44 0.00 0.00 0.00 0.00 46.02 44.77 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 0.00 4.76 0.00 1.61 1.01 -1.26 -4.02 120.40 122.50 1bal s VAL 35 Ca 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 61.98 60.59 1bal s VAL 35 Cb 0.00 -4.69 0.00 0.00 0.00 0.00 0.00 36.38 31.69 1bal s VAL 35 CO 0.00 -1.40 0.00 0.61 0.00 0.00 0.00 175.10 174.31 1bal n GLY 36 N 5.28 2.54 0.00 4.51 0.00 -1.25 -3.97 105.19 112.30 1bal n GLY 36 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.00 0.03 3.43 -0.02 0.00 0.30 -5.06 105.19 101.87 1bal n GLY 37 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1bal n GLY 37 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1bal n ARG 38 N 0.00 0.48 -3.82 1.61 3.00 -1.15 -4.47 116.66 112.30 1bal n ARG 38 Ca 0.00 0.18 -0.31 0.00 -0.00 0.00 0.00 57.85 57.72 1bal n ARG 38 Cb 0.00 -1.49 -0.04 0.00 0.00 0.00 0.00 32.46 30.93 1bal n ARG 38 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1bal s LEU 39 N 1.90 4.32 0.12 6.15 2.96 -1.26 -2.76 118.68 130.10 1bal s LEU 39 Ca 0.64 0.38 -0.04 0.00 -0.22 0.00 0.00 54.13 54.89 1bal s LEU 39 Cb -0.55 -3.09 -0.03 0.00 0.50 0.00 0.00 46.19 43.02 1bal s LEU 39 CO 0.58 0.11 0.12 0.42 -1.32 0.00 0.00 176.35 176.26 1bal s THR 40 N -1.60 0.12 0.23 3.68 -4.23 -1.26 -4.99 115.64 107.59 1bal s THR 40 Ca 0.37 -1.67 0.13 0.00 -1.18 0.00 0.00 61.69 59.34 1bal s THR 40 Cb -0.12 -1.81 0.02 0.00 1.34 0.00 0.00 72.50 71.92 1bal s THR 40 CO 0.27 -0.54 1.64 -0.09 -0.54 0.00 0.00 174.62 175.35 1bal h ARG 41 N 2.82 0.00 -1.11 3.99 9.65 -2.01 -3.00 114.38 124.72 1bal h ARG 41 Ca -0.34 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.54 1bal h ARG 41 Cb 1.20 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.78 1bal h ARG 41 CO 0.57 0.56 0.00 -1.91 2.80 0.00 0.00 179.97 181.99 1bal n GLU 42 N -3.70 0.81 0.00 0.20 2.13 -1.26 -2.42 120.64 116.40 1bal n GLU 42 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 1bal n GLU 42 Cb 0.60 -1.16 0.00 0.00 0.27 0.00 0.00 31.44 31.14 1bal n GLU 42 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1bal n ASP 43 N 0.49 2.09 0.09 4.31 9.92 -1.13 -4.78 116.55 127.53 1bal n ASP 43 Ca 0.00 0.00 0.12 0.00 -0.53 0.00 0.00 54.79 54.38 1bal n ASP 43 Cb 0.36 0.04 0.02 0.00 -0.64 0.00 0.00 41.12 40.90 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 -1.88 0.54 0.33 2.53 0.31 -1.17 -4.19 118.33 114.79 1bal n VAL 44 Ca 0.00 -0.49 -0.17 0.00 -0.01 0.00 0.00 64.34 63.67 1bal n VAL 44 Cb 0.25 -0.26 -0.09 0.00 -0.91 0.00 0.00 33.84 32.83 1bal n VAL 44 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1bal h GLU 45 N 0.00 -0.79 0.00 5.55 4.22 -1.78 -1.26 114.58 120.52 1bal h GLU 45 Ca 0.00 0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.49 1bal h GLU 45 Cb 0.95 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1bal h GLU 45 CO 0.00 -0.50 0.01 1.17 -2.18 0.00 0.00 179.01 177.51 1bal n LYS 46 N -5.41 0.00 0.02 1.92 3.00 -1.26 -0.08 118.16 116.35 1bal n LYS 46 Ca -0.13 0.46 0.11 0.00 -0.00 0.00 0.00 58.31 58.76 1bal n LYS 46 Cb 0.34 -1.51 -0.04 0.00 0.00 0.00 0.00 35.03 33.83 1bal n LYS 46 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 1bal n HIS 47 N -1.46 0.26 -2.07 5.64 -0.00 -0.54 -4.78 115.22 112.27 1bal n HIS 47 Ca 0.00 0.08 -0.32 0.00 0.46 0.00 0.00 57.72 57.94 1bal n HIS 47 Cb 0.01 -0.47 -0.04 0.00 -0.12 0.00 0.00 29.99 29.37 1bal n HIS 47 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1bal s LEU 48 N -4.13 3.22 -0.50 0.27 1.43 0.89 -4.92 118.68 114.95 1bal s LEU 48 Ca 0.01 -0.33 -0.19 0.00 -1.03 0.00 0.00 54.13 52.58 1bal s LEU 48 Cb 0.14 -2.55 0.05 0.00 0.03 0.00 0.00 46.19 43.86 1bal s LEU 48 CO 0.83 -2.56 0.63 0.00 0.23 0.00 0.00 176.35 175.48 1bal s ALA 49 N 9.51 3.37 0.00 4.21 0.00 -1.26 -5.00 121.76 132.59 1bal s ALA 49 Ca 0.68 -1.64 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1bal s ALA 49 Cb -0.09 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.68 1bal s ALA 49 CO 0.07 -1.98 0.00 1.63 0.00 0.00 0.00 175.76 175.48 1bal n LYS 50 N 6.22 0.00 0.00 0.00 4.01 -1.26 -5.27 118.16 121.85 1bal n LYS 50 Ca -0.06 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.74 1bal n LYS 50 Cb 0.46 -0.12 0.00 0.00 -0.51 0.00 0.00 35.03 34.85 1bal n LYS 50 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29