#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 -0.07 -3.28 -0.72 0.00 -1.26 -5.05 120.51 110.13 1bal n ALA 2 Ca 0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.29 1bal n ALA 2 Cb 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1bal n ALA 2 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1bal s SER 3 N -1.76 -0.43 -0.23 0.00 0.15 -1.26 -5.08 113.70 105.10 1bal s SER 3 Ca 0.01 0.08 -0.18 0.00 0.70 0.00 0.00 55.95 56.56 1bal s SER 3 Cb -0.00 0.50 -0.15 0.00 -1.71 0.00 0.00 66.02 64.66 1bal s SER 3 CO 0.01 -0.77 -0.01 0.18 1.20 0.00 0.00 173.24 173.85 1bal n LEU 4 N 0.21 1.89 -2.60 3.45 4.77 -1.26 -4.39 117.00 119.07 1bal n LEU 4 Ca -0.18 0.41 -0.31 0.00 -0.03 0.00 0.00 56.01 55.90 1bal n LEU 4 Cb 0.61 -0.91 -0.01 0.00 -2.33 0.00 0.00 43.42 40.78 1bal n LEU 4 CO 0.18 0.31 1.54 1.21 -1.33 0.00 0.00 177.39 179.30 1bal n GLU 5 N -4.39 2.50 -0.49 3.23 2.13 -1.26 -3.94 120.64 118.43 1bal n GLU 5 Ca -0.37 -2.76 -0.00 0.00 0.66 0.00 0.00 57.16 54.68 1bal n GLU 5 Cb 0.72 -2.17 -0.00 0.00 0.27 0.00 0.00 31.44 30.26 1bal n GLU 5 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1bal n GLU 6 N 0.26 0.00 -1.64 5.31 2.13 -1.26 -5.10 120.64 120.34 1bal n GLU 6 Ca 0.50 -0.05 -0.43 0.00 0.66 0.00 0.00 57.16 57.85 1bal n GLU 6 Cb 0.44 0.03 -0.03 0.00 0.27 0.00 0.00 31.44 32.15 1bal n GLU 6 CO 0.00 0.00 0.00 1.14 -0.41 0.00 0.00 177.13 177.86 1bal s GLN 7 N 0.00 3.56 1.59 5.31 -2.07 -1.25 -4.73 119.66 122.07 1bal s GLN 7 Ca 0.00 2.27 0.00 0.00 -1.82 0.00 0.00 55.36 55.81 1bal s GLN 7 Cb 0.00 -4.28 0.00 0.00 -1.09 0.00 0.00 33.01 27.64 1bal s GLN 7 CO 0.00 -1.61 0.00 0.09 -1.32 0.00 0.00 175.29 172.45 1bal n ASN 8 N 9.91 -0.10 -0.87 12.60 3.02 -1.26 -4.88 115.26 133.67 1bal n ASN 8 Ca 0.25 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.80 1bal n ASN 8 Cb 0.43 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.60 1bal n ASN 8 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1bal n ASN 9 N -3.59 0.46 -3.58 6.41 4.13 -1.26 -5.18 115.26 112.64 1bal n ASN 9 Ca 0.00 -0.71 -0.11 0.00 1.68 0.00 0.00 54.58 55.44 1bal n ASN 9 Cb 0.00 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.20 1bal n ASN 9 CO 0.00 0.00 0.00 1.51 0.28 0.00 0.00 177.26 179.05 1bal s ASP 10 N -0.41 0.29 0.00 6.41 1.47 -1.26 -5.13 116.67 118.03 1bal s ASP 10 Ca 0.00 -1.16 0.00 0.00 1.18 0.00 0.00 52.55 52.57 1bal s ASP 10 Cb 0.00 0.65 0.00 0.00 -0.34 0.00 0.00 42.92 43.23 1bal s ASP 10 CO 0.00 -1.27 0.00 0.00 0.68 0.00 0.00 175.17 174.58 1bal n ALA 11 N -0.47 0.71 -1.28 2.11 0.00 -1.26 -5.11 120.51 115.21 1bal n ALA 11 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.06 1bal n ALA 11 Cb 0.61 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.12 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 0.14 -4.63 0.00 4.77 -1.26 -4.80 117.00 111.21 1bal n LEU 12 Ca 0.00 0.60 -0.43 0.00 -0.03 0.00 0.00 56.01 56.16 1bal n LEU 12 Cb 0.00 -1.16 -0.03 0.00 -2.33 0.00 0.00 43.42 39.91 1bal n LEU 12 CO 0.00 -3.37 1.53 -0.44 -1.33 0.00 0.00 177.39 173.78 1bal s SER 13 N -1.36 6.23 0.01 -1.43 0.01 -1.26 -4.82 113.70 111.09 1bal s SER 13 Ca 0.64 2.02 0.03 0.00 1.31 0.00 0.00 55.95 59.95 1bal s SER 13 Cb -0.37 -2.53 0.13 0.00 0.21 0.00 0.00 66.02 63.47 1bal s SER 13 CO 0.59 -1.31 1.09 -0.81 0.41 0.00 0.00 173.24 173.21 1bal n PRO 14 N 7.80 0.01 -0.33 12.44 -0.05 -1.26 -0.45 135.00 153.16 1bal n PRO 14 Ca 0.21 0.47 0.11 0.00 -0.05 0.00 0.00 63.50 64.24 1bal n PRO 14 Cb 0.44 -1.52 0.29 0.00 -0.05 0.00 0.00 33.50 32.66 1bal n PRO 14 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1bal n ALA 15 N -1.51 2.40 0.09 0.55 0.00 -1.26 -4.29 120.51 116.49 1bal n ALA 15 Ca 0.00 -1.15 0.03 0.00 0.00 0.00 0.00 53.44 52.32 1bal n ALA 15 Cb 0.03 -0.94 0.41 0.00 0.00 0.00 0.00 19.45 18.94 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 3.94 1.15 -0.19 0.00 2.10 -1.14 -1.27 117.51 122.10 1bal h ILE 16 Ca 0.00 -0.57 -0.14 0.00 1.08 0.00 0.00 64.86 65.23 1bal h ILE 16 Cb 0.90 1.00 -0.01 0.00 -1.09 0.00 0.00 36.82 37.62 1bal h ILE 16 CO 0.00 0.19 -0.47 0.03 -1.08 0.00 0.00 178.15 176.82 1bal h ARG 17 N 0.31 0.48 0.00 2.19 3.08 -1.80 -2.61 114.38 116.03 1bal h ARG 17 Ca 0.07 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.86 1bal h ARG 17 Cb 0.23 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1bal h ARG 17 CO 0.01 0.85 0.00 0.54 -1.07 0.00 0.00 179.97 180.30 1bal n ARG 18 N -3.99 0.23 0.06 0.04 3.00 -0.76 -3.65 116.66 111.60 1bal n ARG 18 Ca -0.02 0.22 -0.03 0.00 -0.01 0.00 0.00 57.85 58.01 1bal n ARG 18 Cb 0.55 -1.78 -0.02 0.00 0.00 0.00 0.00 32.46 31.21 1bal n ARG 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1bal h LEU 19 N 0.00 -0.18 -1.68 0.55 5.85 -0.87 -2.65 115.31 116.34 1bal h LEU 19 Ca 0.00 0.01 0.29 0.00 0.84 0.00 0.00 57.88 59.02 1bal h LEU 19 Cb 0.67 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 1bal h LEU 19 CO 0.00 0.07 0.92 -0.07 -0.34 0.00 0.00 178.44 179.02 1bal h LEU 20 N -0.61 0.00 -0.16 2.25 3.38 -1.66 1.18 115.31 119.70 1bal h LEU 20 Ca -0.02 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.72 1bal h LEU 20 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1bal h LEU 20 CO 0.04 0.00 -0.95 0.00 0.09 0.00 0.00 178.44 177.62 1bal h ALA 21 N 1.09 0.34 -0.65 1.53 0.00 -1.62 1.45 119.26 121.40 1bal h ALA 21 Ca 0.47 -0.71 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1bal h ALA 21 Cb 2.32 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 20.07 1bal h ALA 21 CO -0.00 0.80 0.16 1.49 0.00 0.00 0.00 179.25 181.70 1bal h GLU 22 N 0.25 1.01 0.00 0.00 4.81 0.18 -2.98 114.58 117.85 1bal h GLU 22 Ca -0.08 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1bal h GLU 22 Cb 1.58 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.82 1bal h GLU 22 CO 0.17 0.90 -1.65 0.72 -0.73 0.00 0.00 179.01 178.41 1bal n HIS 23 N -4.25 0.14 -3.30 0.92 8.25 -0.94 -5.03 115.22 111.02 1bal n HIS 23 Ca 0.05 0.04 -0.17 0.00 -0.26 0.00 0.00 57.72 57.38 1bal n HIS 23 Cb 0.24 -0.48 0.01 0.00 1.12 0.00 0.00 29.99 30.88 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 -2.18 -6.59 -4.58 0.41 4.05 0.50 -5.01 115.26 101.87 1bal n ASN 24 Ca -0.02 -0.18 -0.25 0.00 0.45 0.00 0.00 54.58 54.58 1bal n ASN 24 Cb 0.52 -3.61 -0.10 0.00 1.23 0.00 0.00 39.78 37.83 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 -3.59 2.84 -0.36 1.20 1.43 -1.17 -5.04 118.68 113.99 1bal s LEU 25 Ca 0.14 -1.10 -0.21 0.00 -1.03 0.00 0.00 54.13 51.93 1bal s LEU 25 Cb -0.03 -1.17 0.01 0.00 0.03 0.00 0.00 46.19 45.03 1bal s LEU 25 CO 0.82 -0.21 0.69 -0.62 0.23 0.00 0.00 176.35 177.27 1bal s ASP 26 N -3.65 6.47 0.00 2.29 -1.08 -1.26 -4.89 116.67 114.55 1bal s ASP 26 Ca 0.33 0.22 0.22 0.00 -0.52 0.00 0.00 52.55 52.80 1bal s ASP 26 Cb 0.01 -2.35 1.01 0.00 -1.46 0.00 0.00 42.92 40.12 1bal s ASP 26 CO 0.18 -0.65 1.72 0.00 0.52 0.00 0.00 175.17 176.93 1bal n ALA 27 N 6.19 2.06 0.48 3.66 0.00 -1.26 -2.54 120.51 129.10 1bal n ALA 27 Ca 0.00 -0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.48 1bal n ALA 27 Cb 0.48 -1.36 0.30 0.00 0.00 0.00 0.00 19.45 18.87 1bal n ALA 27 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1bal h SER 28 N 0.00 0.00 0.24 0.00 4.64 -2.04 -3.13 113.55 113.26 1bal h SER 28 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1bal h SER 28 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1bal h SER 28 CO 0.00 0.01 -0.65 0.00 -0.87 0.00 0.00 176.83 175.32 1bal n ALA 29 N -1.90 3.94 -2.35 5.18 0.00 -1.05 -4.91 120.51 119.41 1bal n ALA 29 Ca 0.05 -0.48 -0.31 0.00 0.00 0.00 0.00 53.44 52.70 1bal n ALA 29 Cb 0.47 -0.96 -0.05 0.00 0.00 0.00 0.00 19.45 18.91 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 -2.89 4.88 -0.06 0.00 -1.09 -1.18 -4.94 121.20 115.92 1bal s ILE 30 Ca 0.12 0.49 -0.06 0.00 -2.23 0.00 0.00 60.65 58.98 1bal s ILE 30 Cb 0.17 -3.65 -0.24 0.00 -1.58 0.00 0.00 42.46 37.16 1bal s ILE 30 CO 0.73 -0.21 3.31 1.17 -1.23 0.00 0.00 174.94 178.72 1bal n LYS 31 N -0.50 1.87 -1.51 2.79 4.81 -1.26 -4.89 118.16 119.47 1bal n LYS 31 Ca 0.01 -0.95 -0.43 0.00 -0.87 0.00 0.00 58.31 56.07 1bal n LYS 31 Cb 0.53 -1.98 -0.06 0.00 0.02 0.00 0.00 35.03 33.53 1bal n LYS 31 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1bal n GLY 32 N 2.59 0.32 0.00 3.14 0.00 -1.26 -4.80 105.19 105.17 1bal n GLY 32 Ca 0.40 0.86 0.00 0.00 0.00 0.00 0.00 46.02 47.28 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 7.59 0.00 -1.37 2.61 -2.24 -0.41 -3.97 114.28 116.49 1bal n THR 33 Ca 0.42 0.29 0.00 0.00 -2.27 0.00 0.00 64.05 62.50 1bal n THR 33 Cb 0.33 -1.21 0.00 0.00 -2.10 0.00 0.00 70.33 67.35 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 1.97 0.57 3.54 3.38 0.00 -0.88 0.16 105.19 113.94 1bal n GLY 34 Ca 0.00 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 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 4.88 0.00 1.61 1.01 -1.26 -3.75 120.40 122.89 1bal s VAL 35 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1bal s VAL 35 Cb 0.00 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.26 1bal s VAL 35 CO 0.00 -0.43 0.00 0.61 0.00 0.00 0.00 175.10 175.28 1bal n GLY 36 N 4.87 0.75 1.05 4.51 0.00 -1.26 -3.93 105.19 111.17 1bal n GLY 36 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.48 1.12 3.89 -0.02 0.00 -0.11 -5.07 105.19 102.51 1bal n GLY 37 Ca 0.00 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.61 3.35 -0.39 1.61 3.52 0.43 -4.59 118.95 120.27 1bal s ARG 38 Ca 0.00 0.41 -0.17 0.00 -0.13 0.00 0.00 55.73 55.84 1bal s ARG 38 Cb 0.00 -2.19 0.01 0.00 -1.56 0.00 0.00 34.95 31.21 1bal s ARG 38 CO 0.00 -0.56 0.46 -1.17 -0.81 0.00 0.00 175.30 173.22 1bal s LEU 39 N -5.05 4.62 0.00 -0.88 2.96 -1.26 -1.28 118.68 117.79 1bal s LEU 39 Ca 0.53 -0.40 0.00 0.00 -0.22 0.00 0.00 54.13 54.04 1bal s LEU 39 Cb -0.11 -2.46 0.00 0.00 0.50 0.00 0.00 46.19 44.12 1bal s LEU 39 CO 0.49 -0.53 0.00 0.35 -1.32 0.00 0.00 176.35 175.34 1bal n THR 40 N 5.44 0.00 0.01 3.68 -2.24 -1.26 -4.98 114.28 114.93 1bal n THR 40 Ca -0.06 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.74 1bal n THR 40 Cb 0.48 -1.31 -0.11 0.00 -2.10 0.00 0.00 70.33 67.29 1bal n THR 40 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1bal n ARG 41 N -0.55 0.64 0.00 -0.78 0.63 -1.26 -4.09 116.66 111.25 1bal n ARG 41 Ca 0.00 0.07 0.00 0.00 -0.92 0.00 0.00 57.85 57.00 1bal n ARG 41 Cb 0.00 -1.69 0.00 0.00 0.45 0.00 0.00 32.46 31.22 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 -2.69 0.94 0.06 -0.14 4.07 -1.26 -3.59 120.64 118.03 1bal n GLU 42 Ca -0.12 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.98 1bal n GLU 42 Cb 0.80 -1.06 0.00 0.00 -0.06 0.00 0.00 31.44 31.12 1bal n GLU 42 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1bal n ASP 43 N 0.50 0.29 0.05 4.31 8.00 -1.26 -4.79 116.55 123.65 1bal n ASP 43 Ca 0.00 0.21 0.12 0.00 0.71 0.00 0.00 54.79 55.82 1bal n ASP 43 Cb 0.45 0.03 0.58 0.00 -0.02 0.00 0.00 41.12 42.16 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 0.00 0.92 -0.72 2.53 2.07 -1.74 -2.16 116.25 117.15 1bal h VAL 44 Ca 0.00 -0.07 0.16 0.00 0.82 0.00 0.00 66.70 67.60 1bal h VAL 44 Cb 0.18 0.69 -0.13 0.00 -1.52 0.00 0.00 31.29 30.52 1bal h VAL 44 CO 0.00 0.04 -0.06 -0.08 0.02 0.00 0.00 177.57 177.49 1bal h GLU 45 N 0.21 0.06 -2.06 1.57 4.81 -1.87 0.18 114.58 117.48 1bal h GLU 45 Ca 0.17 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.32 1bal h GLU 45 Cb 0.40 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 1bal h GLU 45 CO -0.03 0.04 -0.11 1.63 -0.73 0.00 0.00 179.01 179.81 1bal n LYS 46 N -5.38 1.22 0.04 1.92 4.76 -0.81 -3.52 118.16 116.39 1bal n LYS 46 Ca 0.11 -0.37 0.00 0.00 -2.87 0.00 0.00 58.31 55.19 1bal n LYS 46 Cb 0.42 -1.44 0.00 0.00 -1.84 0.00 0.00 35.03 32.17 1bal n LYS 46 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 1bal n HIS 47 N 2.00 -1.28 -1.22 2.13 -0.00 0.61 -5.11 115.22 112.35 1bal n HIS 47 Ca 0.16 0.19 -0.36 0.00 0.46 0.00 0.00 57.72 58.16 1bal n HIS 47 Cb 0.58 0.75 0.07 0.00 -0.12 0.00 0.00 29.99 31.27 1bal n HIS 47 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1bal n LEU 48 N -2.73 0.05 -4.29 0.27 4.77 -1.13 -4.92 117.00 109.02 1bal n LEU 48 Ca 0.00 0.56 -0.43 0.00 -0.03 0.00 0.00 56.01 56.11 1bal n LEU 48 Cb 0.00 -1.16 -0.08 0.00 -2.33 0.00 0.00 43.42 39.85 1bal n LEU 48 CO 0.00 -3.43 0.01 0.00 -1.33 0.00 0.00 177.39 172.64 1bal s ALA 49 N -1.95 3.47 0.23 -1.18 0.00 -1.26 -5.05 121.76 116.02 1bal s ALA 49 Ca 0.63 -2.33 -0.31 0.00 0.00 0.00 0.00 51.96 49.95 1bal s ALA 49 Cb -0.34 -2.94 -0.14 0.00 0.00 0.00 0.00 23.12 19.69 1bal s ALA 49 CO 0.60 -1.82 1.31 1.17 0.00 0.00 0.00 175.76 177.02 1bal n LYS 50 N 5.06 1.75 0.00 0.00 3.00 -1.26 -5.29 118.16 121.42 1bal n LYS 50 Ca -0.11 0.62 0.00 0.00 -0.00 0.00 0.00 58.31 58.82 1bal n LYS 50 Cb 0.42 -2.21 0.00 0.00 0.00 0.00 0.00 35.03 33.24 1bal n LYS 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40