#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 -0.19 0.00 -0.72 0.00 -1.26 -4.91 121.76 114.68 1bal s ALA 2 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 50.69 1bal s ALA 2 Cb 0.00 -2.02 0.00 0.00 0.00 0.00 0.00 23.12 21.10 1bal s ALA 2 CO 0.00 -2.13 0.00 0.45 0.00 0.00 0.00 175.76 174.08 1bal n SER 3 N 3.79 0.00 -0.03 0.00 2.88 -1.26 -4.93 113.62 114.07 1bal n SER 3 Ca 0.16 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.56 1bal n SER 3 Cb 0.46 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.83 1bal n SER 3 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1bal h LEU 4 N 0.00 0.17 -8.60 2.46 3.38 -2.09 -3.40 115.31 107.23 1bal h LEU 4 Ca 0.00 -0.55 -0.67 0.00 0.09 0.00 0.00 57.88 56.75 1bal h LEU 4 Cb 0.00 -0.05 -0.16 0.00 0.09 0.00 0.00 40.66 40.54 1bal h LEU 4 CO 0.00 0.69 -0.01 -0.70 0.09 0.00 0.00 178.44 178.51 1bal s GLU 5 N -4.02 3.26 0.11 1.13 2.56 -1.26 -5.05 118.70 115.43 1bal s GLU 5 Ca -0.15 -0.47 -0.06 0.00 0.00 0.00 0.00 54.97 54.28 1bal s GLU 5 Cb 0.03 -3.94 -0.05 0.00 2.00 0.00 0.00 34.13 32.16 1bal s GLU 5 CO 0.71 -0.91 0.36 -2.00 -0.56 0.00 0.00 175.26 172.87 1bal s GLU 6 N 2.53 3.64 -0.57 4.30 2.12 -1.26 -4.95 118.70 124.51 1bal s GLU 6 Ca 0.19 -0.04 -0.25 0.00 0.36 0.00 0.00 54.97 55.23 1bal s GLU 6 Cb -0.15 -2.92 0.04 0.00 0.26 0.00 0.00 34.13 31.36 1bal s GLU 6 CO 0.16 0.52 0.99 -0.65 -0.54 0.00 0.00 175.26 175.74 1bal s GLN 7 N -2.35 3.33 0.00 4.30 1.11 -1.26 -4.51 119.66 120.27 1bal s GLN 7 Ca 0.37 -0.25 0.00 0.00 0.01 0.00 0.00 55.36 55.49 1bal s GLN 7 Cb -0.13 -4.07 0.00 0.00 -1.01 0.00 0.00 33.01 27.80 1bal s GLN 7 CO 0.22 -1.57 0.00 -1.71 0.01 0.00 0.00 175.29 172.24 1bal n ASN 8 N 7.68 0.00 -3.84 5.90 5.15 -1.26 -4.99 115.26 123.89 1bal n ASN 8 Ca 0.02 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.58 1bal n ASN 8 Cb 0.48 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.72 1bal n ASN 8 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1bal n ASN 9 N -0.11 3.96 0.03 1.20 4.13 -1.26 -4.53 115.26 118.68 1bal n ASN 9 Ca 0.00 -2.84 0.12 0.00 1.68 0.00 0.00 54.58 53.53 1bal n ASN 9 Cb 0.00 -1.65 0.14 0.00 -1.54 0.00 0.00 39.78 36.72 1bal n ASN 9 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 1bal n ASP 10 N 6.50 0.63 0.00 6.41 5.75 -1.26 -4.71 116.55 129.87 1bal n ASP 10 Ca 0.51 -0.09 0.00 0.00 -0.01 0.00 0.00 54.79 55.20 1bal n ASP 10 Cb 0.40 0.40 0.00 0.00 -1.03 0.00 0.00 41.12 40.89 1bal n ASP 10 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1bal n ALA 11 N -1.75 0.17 -1.18 2.12 0.00 -1.26 -5.07 120.51 113.54 1bal n ALA 11 Ca 0.03 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.43 1bal n ALA 11 Cb 0.41 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.90 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 -0.12 0.00 -3.80 0.00 4.77 -1.26 -5.08 117.00 111.51 1bal n LEU 12 Ca 0.00 -0.29 -0.10 0.00 -0.03 0.00 0.00 56.01 55.59 1bal n LEU 12 Cb 0.00 -0.21 -0.05 0.00 -2.33 0.00 0.00 43.42 40.83 1bal n LEU 12 CO 0.00 -0.70 0.13 -0.55 -1.33 0.00 0.00 177.39 174.93 1bal s SER 13 N -1.99 -0.13 0.15 -1.43 0.15 -1.26 -4.83 113.70 104.37 1bal s SER 13 Ca 0.15 -0.59 -0.16 0.00 0.70 0.00 0.00 55.95 56.05 1bal s SER 13 Cb -0.00 0.49 0.02 0.00 -1.71 0.00 0.00 66.02 64.82 1bal s SER 13 CO 0.11 -0.94 1.81 1.55 1.20 0.00 0.00 173.24 176.97 1bal h PRO 14 N 2.38 0.54 0.00 5.44 0.13 -1.99 -1.73 132.00 136.78 1bal h PRO 14 Ca -0.31 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1bal h PRO 14 Cb 1.24 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1bal h PRO 14 CO 0.44 0.36 0.42 0.00 -0.23 0.00 0.00 178.00 178.99 1bal h ALA 15 N 1.15 1.29 0.00 -0.56 0.00 -1.99 0.46 119.26 119.60 1bal h ALA 15 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1bal h ALA 15 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1bal h ALA 15 CO -0.03 -0.29 0.00 1.51 0.00 0.00 0.00 179.25 180.44 1bal n ILE 16 N -2.03 0.13 -0.14 0.00 3.06 -0.65 -2.84 119.36 116.89 1bal n ILE 16 Ca -0.01 0.03 -0.25 0.00 -2.50 0.00 0.00 62.75 60.03 1bal n ILE 16 Cb 0.44 -0.75 -0.11 0.00 0.54 0.00 0.00 39.64 39.76 1bal n ILE 16 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1bal n ARG 17 N -1.07 0.61 0.00 9.51 1.74 0.16 -4.24 116.66 123.37 1bal n ARG 17 Ca 0.12 0.21 0.00 0.00 -0.77 0.00 0.00 57.85 57.41 1bal n ARG 17 Cb 0.08 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 1bal n ARG 17 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1bal n ARG 18 N -3.81 0.92 -0.10 5.56 1.74 -1.16 -3.55 116.66 116.27 1bal n ARG 18 Ca -0.51 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.38 1bal n ARG 18 Cb 0.93 -1.09 -0.10 0.00 -1.02 0.00 0.00 32.46 31.18 1bal n ARG 18 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1bal n LEU 19 N -0.39 1.86 0.00 0.55 7.94 -1.13 -3.41 117.00 122.41 1bal n LEU 19 Ca 0.00 0.45 0.11 0.00 -1.11 0.00 0.00 56.01 55.46 1bal n LEU 19 Cb 0.05 -0.94 0.53 0.00 0.53 0.00 0.00 43.42 43.58 1bal n LEU 19 CO 0.00 0.17 0.88 0.18 -1.11 0.00 0.00 177.39 177.51 1bal n LEU 20 N -4.45 0.00 0.00 -1.96 4.77 -1.23 -2.56 117.00 111.57 1bal n LEU 20 Ca -0.30 0.45 0.11 0.00 -0.03 0.00 0.00 56.01 56.24 1bal n LEU 20 Cb 0.63 -0.45 -0.01 0.00 -2.33 0.00 0.00 43.42 41.26 1bal n LEU 20 CO 0.16 -0.09 0.07 0.00 -1.33 0.00 0.00 177.39 176.21 1bal n ALA 21 N -1.45 4.28 -0.09 -1.18 0.00 -1.24 -2.22 120.51 118.61 1bal n ALA 21 Ca 0.07 -0.52 -0.21 0.00 0.00 0.00 0.00 53.44 52.79 1bal n ALA 21 Cb 0.26 -0.88 -0.12 0.00 0.00 0.00 0.00 19.45 18.70 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 -1.56 0.67 -0.10 0.00 2.13 -1.06 -4.64 120.64 116.08 1bal n GLU 22 Ca 0.04 0.22 -0.12 0.00 0.66 0.00 0.00 57.16 57.96 1bal n GLU 22 Cb 0.35 -1.58 -0.13 0.00 0.27 0.00 0.00 31.44 30.35 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 -3.51 0.00 -2.54 4.31 -0.00 -1.12 -5.09 115.22 107.28 1bal n HIS 23 Ca -0.42 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.25 1bal n HIS 23 Cb 0.98 -0.88 -0.04 0.00 -0.00 0.00 0.00 29.99 30.04 1bal n HIS 23 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 1bal n ASN 24 N -2.89 -1.14 -3.62 0.41 4.05 -0.94 -5.07 115.26 106.07 1bal n ASN 24 Ca -0.34 1.37 -0.17 0.00 0.45 0.00 0.00 54.58 55.89 1bal n ASN 24 Cb 1.01 -5.18 -0.09 0.00 1.23 0.00 0.00 39.78 36.76 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 -0.64 1.57 -0.05 1.20 1.43 -1.26 -5.08 118.68 115.84 1bal s LEU 25 Ca -0.26 -1.65 -0.10 0.00 -1.03 0.00 0.00 54.13 51.10 1bal s LEU 25 Cb 0.02 0.50 -0.05 0.00 0.03 0.00 0.00 46.19 46.69 1bal s LEU 25 CO 0.71 -0.99 0.27 -1.81 0.23 0.00 0.00 176.35 174.75 1bal s ASP 26 N -3.31 6.57 -0.02 2.29 1.01 -1.26 -5.00 116.67 116.95 1bal s ASP 26 Ca 0.40 0.67 -0.10 0.00 0.71 0.00 0.00 52.55 54.24 1bal s ASP 26 Cb 0.04 -2.14 -0.31 0.00 1.01 0.00 0.00 42.92 41.52 1bal s ASP 26 CO 0.23 0.34 0.77 0.00 0.21 0.00 0.00 175.17 176.72 1bal h ALA 27 N 4.66 0.13 -0.59 5.23 0.00 -2.01 -3.30 119.26 123.39 1bal h ALA 27 Ca -0.53 -1.09 0.17 0.00 0.00 0.00 0.00 54.91 53.46 1bal h ALA 27 Cb 1.22 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 1bal h ALA 27 CO 0.61 1.00 0.46 0.66 0.00 0.00 0.00 179.25 181.98 1bal h SER 28 N 0.10 0.00 1.08 0.00 4.64 -2.05 0.55 113.55 117.87 1bal h SER 28 Ca -0.31 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.93 1bal h SER 28 Cb 2.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 64.17 1bal h SER 28 CO 0.19 0.00 -0.39 0.00 -0.87 0.00 0.00 176.83 175.76 1bal h ALA 29 N 1.62 0.89 -2.67 5.18 0.00 -1.99 -3.43 119.26 118.86 1bal h ALA 29 Ca 0.28 -0.35 -0.55 0.00 0.00 0.00 0.00 54.91 54.29 1bal h ALA 29 Cb 1.20 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1bal h ALA 29 CO -0.00 0.48 0.13 0.42 0.00 0.00 0.00 179.25 180.28 1bal s ILE 30 N -3.40 4.82 -0.89 0.00 -1.09 0.19 -5.00 121.20 115.84 1bal s ILE 30 Ca 0.01 1.56 -0.18 0.00 -2.23 0.00 0.00 60.65 59.82 1bal s ILE 30 Cb 0.10 -4.08 0.15 0.00 -1.58 0.00 0.00 42.46 37.04 1bal s ILE 30 CO 0.70 0.34 1.03 -0.54 -1.23 0.00 0.00 174.94 175.24 1bal s LYS 31 N 0.14 3.57 -0.59 2.79 1.02 -1.26 -4.97 119.74 120.44 1bal s LYS 31 Ca 0.38 -1.88 -0.26 0.00 0.02 0.00 0.00 55.97 54.23 1bal s LYS 31 Cb -0.20 -4.78 -0.07 0.00 -0.52 0.00 0.00 37.83 32.26 1bal s LYS 31 CO 0.21 -1.66 2.30 0.20 -0.92 0.00 0.00 175.35 175.48 1bal s GLY 32 N 3.32 -0.39 0.00 -3.33 0.00 -1.26 -4.74 107.32 100.92 1bal s GLY 32 Ca 0.29 -0.33 0.18 0.00 0.00 0.00 0.00 44.72 44.86 1bal s GLY 32 CO -0.08 4.01 1.59 -1.30 0.00 0.00 0.00 173.10 177.31 1bal n THR 33 N 8.02 0.65 -0.91 0.90 -2.24 -1.26 -4.19 114.28 115.25 1bal n THR 33 Ca 0.36 0.16 -0.35 0.00 -2.27 0.00 0.00 64.05 61.95 1bal n THR 33 Cb 0.52 -0.85 0.08 0.00 -2.10 0.00 0.00 70.33 67.98 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 0.37 -3.44 3.65 3.38 0.00 -1.26 -4.71 105.19 103.18 1bal n GLY 34 Ca 0.06 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.15 3.46 0.00 1.61 1.01 -1.26 -1.23 120.40 121.84 1bal s VAL 35 Ca 0.47 0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.99 1bal s VAL 35 Cb -0.16 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.82 1bal s VAL 35 CO 0.75 -0.11 0.00 0.61 0.00 0.00 0.00 175.10 176.35 1bal n GLY 36 N 4.50 0.92 0.68 4.51 0.00 -1.26 -3.84 105.19 110.70 1bal n GLY 36 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 0.80 3.61 -0.02 0.00 -0.36 -5.02 105.19 102.20 1bal n GLY 37 Ca 0.00 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.67 3.55 0.67 1.61 0.52 -1.25 -4.70 118.95 118.68 1bal s ARG 38 Ca 0.00 1.24 -0.17 0.00 -0.52 0.00 0.00 55.73 56.28 1bal s ARG 38 Cb 0.00 -4.07 -0.02 0.00 0.52 0.00 0.00 34.95 31.38 1bal s ARG 38 CO 0.00 -1.59 1.02 -0.11 0.02 0.00 0.00 175.30 174.64 1bal n LEU 39 N 9.17 4.06 0.00 2.53 7.94 -1.26 -4.06 117.00 135.37 1bal n LEU 39 Ca 0.19 0.74 0.00 0.00 -1.11 0.00 0.00 56.01 55.83 1bal n LEU 39 Cb 0.47 -1.43 0.00 0.00 0.53 0.00 0.00 43.42 42.99 1bal n LEU 39 CO 0.68 -1.80 0.00 0.35 -1.11 0.00 0.00 177.39 175.52 1bal n THR 40 N -2.13 0.00 -0.04 1.96 -2.24 -1.26 -5.01 114.28 105.55 1bal n THR 40 Ca 0.14 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.86 1bal n THR 40 Cb 0.48 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.58 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 0.00 0.65 0.00 -0.78 0.63 -1.26 -3.95 116.66 111.96 1bal n ARG 41 Ca 0.00 0.13 0.00 0.00 -0.92 0.00 0.00 57.85 57.06 1bal n ARG 41 Cb 0.00 -1.67 0.00 0.00 0.45 0.00 0.00 32.46 31.24 1bal n ARG 41 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1bal n GLU 42 N -2.85 0.73 0.00 -0.14 1.02 -1.26 -2.36 120.64 115.79 1bal n GLU 42 Ca -0.21 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.93 1bal n GLU 42 Cb 1.02 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 31.25 1bal n GLU 42 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1bal n ASP 43 N -0.16 1.36 -0.10 1.62 8.00 -1.26 -4.61 116.55 121.40 1bal n ASP 43 Ca 0.00 -0.11 -0.12 0.00 0.71 0.00 0.00 54.79 55.27 1bal n ASP 43 Cb 0.10 0.50 -0.12 0.00 -0.02 0.00 0.00 41.12 41.57 1bal n ASP 43 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1bal n VAL 44 N -0.63 1.24 0.12 2.53 0.31 -1.04 -3.63 118.33 117.22 1bal n VAL 44 Ca 0.00 -0.62 -0.23 0.00 -0.01 0.00 0.00 64.34 63.48 1bal n VAL 44 Cb 0.00 -0.89 -0.14 0.00 -0.91 0.00 0.00 33.84 31.90 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 0.56 0.00 5.55 4.22 -1.78 -3.24 114.58 119.89 1bal h GLU 45 Ca -0.49 -0.84 0.00 0.00 0.08 0.00 0.00 59.36 58.11 1bal h GLU 45 Cb 1.93 0.30 0.00 0.00 0.50 0.00 0.00 28.75 31.48 1bal h GLU 45 CO -0.02 1.39 -0.18 1.63 -2.18 0.00 0.00 179.01 179.65 1bal n LYS 46 N -3.74 0.04 0.07 1.92 5.02 -1.26 -3.53 118.16 116.68 1bal n LYS 46 Ca -0.15 0.03 -0.05 0.00 -2.02 0.00 0.00 58.31 56.12 1bal n LYS 46 Cb 1.04 -1.54 0.13 0.00 -0.02 0.00 0.00 35.03 34.65 1bal n LYS 46 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1bal h HIS 47 N 0.00 0.40 -1.39 2.13 2.76 -1.62 -3.44 115.15 113.99 1bal h HIS 47 Ca 0.00 -0.14 -0.78 0.00 -2.20 0.00 0.00 60.37 57.26 1bal h HIS 47 Cb 0.54 -0.08 0.01 0.00 1.55 0.00 0.00 27.41 29.43 1bal h HIS 47 CO 0.00 0.78 0.82 1.28 -1.30 0.00 0.00 177.93 179.51 1bal n LEU 48 N -3.94 2.00 -4.75 0.26 4.77 -1.23 -4.85 117.00 109.26 1bal n LEU 48 Ca -0.02 1.11 -0.41 0.00 -0.03 0.00 0.00 56.01 56.66 1bal n LEU 48 Cb 0.57 -1.07 -0.03 0.00 -2.33 0.00 0.00 43.42 40.56 1bal n LEU 48 CO 0.44 -0.58 0.93 0.00 -1.33 0.00 0.00 177.39 176.85 1bal s ALA 49 N 3.26 3.48 0.07 -1.18 0.00 -1.26 -5.02 121.76 121.12 1bal s ALA 49 Ca 1.00 1.10 -0.04 0.00 0.00 0.00 0.00 51.96 54.02 1bal s ALA 49 Cb -1.19 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 18.44 1bal s ALA 49 CO 0.70 -0.47 0.28 0.15 0.00 0.00 0.00 175.76 176.42 1bal s LYS 50 N -1.00 3.54 0.00 0.00 -0.14 -1.26 -5.23 119.74 115.65 1bal s LYS 50 Ca 0.51 -0.21 0.31 0.00 -1.36 0.00 0.00 55.97 55.23 1bal s LYS 50 Cb -0.36 -2.99 1.80 0.00 -1.68 0.00 0.00 37.83 34.60 1bal s LYS 50 CO 0.44 0.57 2.17 0.00 -0.76 0.00 0.00 175.35 177.77