#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 7.38 -1.91 2.98 0.00 -1.26 -4.81 120.51 122.89 1bal n ALA 2 Ca 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 53.44 49.94 1bal n ALA 2 Cb 0.00 -3.20 0.00 0.00 0.00 0.00 0.00 19.45 16.25 1bal n ALA 2 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1bal n SER 3 N 3.19 0.00 -4.76 0.00 7.64 -1.26 -5.00 113.62 113.44 1bal n SER 3 Ca 0.74 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 60.20 1bal n SER 3 Cb 0.28 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.47 1bal n SER 3 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1bal s LEU 4 N 0.00 4.34 -0.95 -3.43 2.96 -1.26 -4.70 118.68 115.64 1bal s LEU 4 Ca 0.00 2.95 -0.17 0.00 -0.22 0.00 0.00 54.13 56.69 1bal s LEU 4 Cb 0.00 -3.64 -0.28 0.00 0.50 0.00 0.00 46.19 42.77 1bal s LEU 4 CO 0.00 -0.89 2.31 -0.62 -1.32 0.00 0.00 176.35 175.84 1bal n GLU 5 N 1.84 0.11 0.00 1.98 1.02 -1.26 -4.63 120.64 119.71 1bal n GLU 5 Ca 0.07 -0.11 0.11 0.00 -0.02 0.00 0.00 57.16 57.21 1bal n GLU 5 Cb 0.38 -1.55 0.08 0.00 -0.02 0.00 0.00 31.44 30.33 1bal n GLU 5 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1bal n GLU 6 N 6.71 0.39 -1.82 3.49 -0.58 -1.26 -4.93 120.64 122.64 1bal n GLU 6 Ca 0.64 -0.29 -0.42 0.00 -0.42 0.00 0.00 57.16 56.67 1bal n GLU 6 Cb 0.17 -1.49 -0.02 0.00 -0.57 0.00 0.00 31.44 29.53 1bal n GLU 6 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1bal s GLN 7 N -2.81 4.15 0.00 3.49 -0.21 -1.26 -4.81 119.66 118.21 1bal s GLN 7 Ca 0.14 2.52 0.00 0.00 0.02 0.00 0.00 55.36 58.04 1bal s GLN 7 Cb 0.17 -3.05 0.00 0.00 1.00 0.00 0.00 33.01 31.13 1bal s GLN 7 CO 0.71 -0.61 0.00 -1.71 -2.12 0.00 0.00 175.29 171.56 1bal n ASN 8 N 2.54 0.00 -1.00 5.90 2.85 -1.26 -5.15 115.26 119.13 1bal n ASN 8 Ca 0.09 0.00 0.13 0.00 -0.11 0.00 0.00 54.58 54.69 1bal n ASN 8 Cb 0.38 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.36 1bal n ASN 8 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1bal n ASN 9 N 0.00 -5.75 -4.35 1.20 4.05 -1.26 -4.38 115.26 104.77 1bal n ASN 9 Ca 0.00 0.44 -0.46 0.00 0.45 0.00 0.00 54.58 55.01 1bal n ASN 9 Cb 0.00 -3.19 -0.04 0.00 1.23 0.00 0.00 39.78 37.78 1bal n ASN 9 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 177.26 175.72 1bal s ASP 10 N -5.23 6.34 0.28 1.20 1.47 -1.26 -4.89 116.67 114.58 1bal s ASP 10 Ca 0.00 -1.86 0.00 0.00 1.18 0.00 0.00 52.55 51.87 1bal s ASP 10 Cb 0.00 -2.26 0.40 0.00 -0.34 0.00 0.00 42.92 40.72 1bal s ASP 10 CO 0.00 -0.91 1.77 0.00 0.68 0.00 0.00 175.17 176.71 1bal h ALA 11 N 8.77 1.14 -2.35 2.11 0.00 -2.06 -3.45 119.26 123.42 1bal h ALA 11 Ca -0.18 -0.28 -0.27 0.00 0.00 0.00 0.00 54.91 54.18 1bal h ALA 11 Cb 1.08 -0.17 -0.15 0.00 0.00 0.00 0.00 17.79 18.56 1bal h ALA 11 CO 1.01 0.54 -0.65 -0.51 0.00 0.00 0.00 179.25 179.65 1bal s LEU 12 N -9.02 1.87 -0.32 0.00 1.43 -1.26 -5.12 118.68 106.26 1bal s LEU 12 Ca -0.08 -1.24 -0.29 0.00 -1.03 0.00 0.00 54.13 51.49 1bal s LEU 12 Cb 0.14 0.07 0.02 0.00 0.03 0.00 0.00 46.19 46.46 1bal s LEU 12 CO 0.80 -0.66 1.08 -0.44 0.23 0.00 0.00 176.35 177.36 1bal s SER 13 N -3.17 6.92 0.00 2.29 0.01 -1.26 -4.87 113.70 113.62 1bal s SER 13 Ca 0.28 1.03 0.05 0.00 1.31 0.00 0.00 55.95 58.62 1bal s SER 13 Cb 0.07 -2.54 0.33 0.00 0.21 0.00 0.00 66.02 64.08 1bal s SER 13 CO 0.06 -0.89 0.78 -0.81 0.41 0.00 0.00 173.24 172.78 1bal n PRO 14 N 6.90 0.18 -0.02 12.44 -0.04 -1.26 -1.50 135.00 151.69 1bal n PRO 14 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1bal n PRO 14 Cb 0.47 -1.47 -0.07 0.00 -0.04 0.00 0.00 33.50 32.39 1bal n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bal n ALA 15 N -0.97 2.08 0.11 0.55 0.00 -1.26 -4.51 120.51 116.51 1bal n ALA 15 Ca 0.04 -0.40 0.03 0.00 0.00 0.00 0.00 53.44 53.11 1bal n ALA 15 Cb 0.02 -0.14 0.15 0.00 0.00 0.00 0.00 19.45 19.48 1bal n ALA 15 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1bal n ILE 16 N -2.07 0.48 0.02 0.00 3.06 -0.57 0.16 119.36 120.44 1bal n ILE 16 Ca -0.08 0.67 -0.02 0.00 -2.50 0.00 0.00 62.75 60.82 1bal n ILE 16 Cb 0.51 -1.67 -0.01 0.00 0.54 0.00 0.00 39.64 39.01 1bal n ILE 16 CO 0.00 0.00 0.00 0.03 -2.50 0.00 0.00 176.55 174.08 1bal h ARG 17 N 0.00 -0.14 0.00 9.51 3.08 -1.79 -3.37 114.38 121.67 1bal h ARG 17 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1bal h ARG 17 Cb 0.86 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.94 1bal h ARG 17 CO 0.00 -0.09 -0.40 0.00 -1.07 0.00 0.00 179.97 178.41 1bal h ARG 18 N -0.87 0.00 -1.14 0.04 2.47 -1.53 -3.32 114.38 110.03 1bal h ARG 18 Ca -0.01 0.00 0.32 0.00 -1.26 0.00 0.00 59.98 59.02 1bal h ARG 18 Cb 0.11 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 28.35 1bal h ARG 18 CO 0.02 0.00 0.77 1.25 0.56 0.00 0.00 179.97 182.57 1bal h LEU 19 N 0.00 0.24 -0.08 3.04 5.85 -0.44 1.19 115.31 125.12 1bal h LEU 19 Ca 0.00 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 1bal h LEU 19 Cb 0.78 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 1bal h LEU 19 CO 0.00 0.02 -0.13 -0.07 -0.34 0.00 0.00 178.44 177.93 1bal h LEU 20 N 0.20 0.25 -0.04 2.25 3.38 -1.76 -2.72 115.31 116.87 1bal h LEU 20 Ca 0.61 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1bal h LEU 20 Cb 1.94 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.62 1bal h LEU 20 CO -0.19 0.74 0.00 0.00 0.09 0.00 0.00 178.44 179.08 1bal n ALA 21 N -2.42 2.11 0.03 1.53 0.00 0.77 0.53 120.51 123.06 1bal n ALA 21 Ca -0.07 -0.07 -0.19 0.00 0.00 0.00 0.00 53.44 53.11 1bal n ALA 21 Cb 0.36 -1.40 -0.13 0.00 0.00 0.00 0.00 19.45 18.28 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 0.37 -0.01 0.00 4.81 0.14 -3.34 114.58 116.55 1bal h GLU 22 Ca 0.00 -0.49 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1bal h GLU 22 Cb 0.46 0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.00 1bal h GLU 22 CO 0.00 1.18 -0.53 0.72 -0.73 0.00 0.00 179.01 179.65 1bal n HIS 23 N -4.16 0.00 -2.96 0.92 8.25 -1.04 -4.98 115.22 111.25 1bal n HIS 23 Ca -0.12 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.23 1bal n HIS 23 Cb 0.75 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.90 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 -0.79 -4.01 -4.46 0.41 2.85 0.19 -4.94 115.26 104.51 1bal n ASN 24 Ca 0.05 -0.23 -0.44 0.00 -0.11 0.00 0.00 54.58 53.84 1bal n ASN 24 Cb 0.28 -2.62 -0.01 0.00 1.24 0.00 0.00 39.78 38.67 1bal n ASN 24 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1bal s LEU 25 N -3.87 5.05 -0.16 1.20 1.43 -0.62 -4.98 118.68 116.72 1bal s LEU 25 Ca 0.26 -2.76 -0.29 0.00 -1.03 0.00 0.00 54.13 50.31 1bal s LEU 25 Cb -0.11 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 1bal s LEU 25 CO 0.32 -0.83 1.64 -1.81 0.23 0.00 0.00 176.35 175.90 1bal s ASP 26 N 3.03 6.47 0.66 2.29 1.01 -1.26 -4.80 116.67 124.07 1bal s ASP 26 Ca 0.40 1.85 0.09 0.00 0.71 0.00 0.00 52.55 55.61 1bal s ASP 26 Cb -0.03 -2.53 0.51 0.00 1.01 0.00 0.00 42.92 41.87 1bal s ASP 26 CO -0.02 -1.14 1.28 0.00 0.21 0.00 0.00 175.17 175.49 1bal h ALA 27 N 10.36 1.83 -0.70 5.23 0.00 -1.93 0.29 119.26 134.33 1bal h ALA 27 Ca -0.36 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.65 1bal h ALA 27 Cb 1.16 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.88 1bal h ALA 27 CO 0.98 -0.82 0.34 0.77 0.00 0.00 0.00 179.25 180.53 1bal h SER 28 N 0.00 0.44 0.96 0.00 0.02 -2.01 0.30 113.55 113.27 1bal h SER 28 Ca 0.01 0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 60.93 1bal h SER 28 Cb 1.62 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 64.14 1bal h SER 28 CO -0.00 0.25 -0.43 0.00 -1.14 0.00 0.00 176.83 175.51 1bal h ALA 29 N 1.43 0.91 -4.64 3.77 0.00 -0.79 -3.45 119.26 116.49 1bal h ALA 29 Ca 0.34 -0.39 -0.32 0.00 0.00 0.00 0.00 54.91 54.55 1bal h ALA 29 Cb 0.37 -0.07 0.07 0.00 0.00 0.00 0.00 17.79 18.16 1bal h ALA 29 CO -0.27 0.53 0.13 -0.89 0.00 0.00 0.00 179.25 178.76 1bal n ILE 30 N -3.48 0.00 -3.81 0.00 2.08 0.09 -5.07 119.36 109.18 1bal n ILE 30 Ca 0.00 -1.00 -0.30 0.00 0.56 0.00 0.00 62.75 62.02 1bal n ILE 30 Cb 0.57 -1.19 -0.14 0.00 -0.75 0.00 0.00 39.64 38.13 1bal n ILE 30 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 1bal s LYS 31 N -4.46 1.31 -0.18 0.38 -0.14 -1.26 -4.93 119.74 110.45 1bal s LYS 31 Ca 0.48 -1.89 -0.21 0.00 -1.36 0.00 0.00 55.97 52.99 1bal s LYS 31 Cb -0.02 -2.57 -0.03 0.00 -1.68 0.00 0.00 37.83 33.53 1bal s LYS 31 CO 0.32 -1.08 0.62 0.20 -0.76 0.00 0.00 175.35 174.65 1bal s GLY 32 N 0.61 2.12 0.00 -3.33 0.00 -1.26 -4.89 107.32 100.57 1bal s GLY 32 Ca 0.15 -0.24 0.13 0.00 0.00 0.00 0.00 44.72 44.76 1bal s GLY 32 CO -0.07 1.25 1.05 -1.30 0.00 0.00 0.00 173.10 174.03 1bal n THR 33 N 4.54 0.00 -0.68 0.90 -2.24 -1.26 -4.83 114.28 110.71 1bal n THR 33 Ca -0.02 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.25 1bal n THR 33 Cb 0.50 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 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 0.26 -0.94 3.49 3.38 0.00 -1.12 -4.67 105.19 105.58 1bal n GLY 34 Ca -0.03 -1.66 -0.45 0.00 0.00 0.00 0.00 46.02 43.87 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 -1.28 1.91 -1.31 1.61 0.31 -1.26 0.12 118.33 118.43 1bal n VAL 35 Ca 0.00 -0.50 -0.11 0.00 -0.01 0.00 0.00 64.34 63.72 1bal n VAL 35 Cb 0.00 -0.55 -0.05 0.00 -0.91 0.00 0.00 33.84 32.33 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 1.63 1.05 3.75 2.92 0.00 -1.26 0.23 105.19 113.51 1bal n GLY 36 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.20 0.52 3.61 -0.02 0.00 0.33 -4.93 105.19 104.50 1bal n GLY 37 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 1bal n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bal n ARG 38 N -2.00 0.59 -2.83 1.61 1.74 0.14 -4.11 116.66 111.80 1bal n ARG 38 Ca 0.00 0.25 -0.41 0.00 -0.77 0.00 0.00 57.85 56.92 1bal n ARG 38 Cb 0.00 -2.20 -0.04 0.00 -1.02 0.00 0.00 32.46 29.20 1bal n ARG 38 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1bal s LEU 39 N -2.81 4.35 0.00 0.55 2.96 -1.26 -2.80 118.68 119.67 1bal s LEU 39 Ca 0.74 1.49 0.01 0.00 -0.22 0.00 0.00 54.13 56.15 1bal s LEU 39 Cb -0.36 -3.40 0.02 0.00 0.50 0.00 0.00 46.19 42.96 1bal s LEU 39 CO 0.50 -0.22 0.18 0.35 -1.32 0.00 0.00 176.35 175.84 1bal n THR 40 N 3.88 0.00 -0.05 3.68 -2.24 -1.26 -5.02 114.28 113.27 1bal n THR 40 Ca 0.04 -0.35 -0.01 0.00 -2.27 0.00 0.00 64.05 61.45 1bal n THR 40 Cb 0.51 -1.07 -0.15 0.00 -2.10 0.00 0.00 70.33 67.52 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 -1.30 0.67 0.00 -0.78 0.63 -1.26 -4.10 116.66 110.51 1bal n ARG 41 Ca 0.03 -0.04 0.09 0.00 -0.92 0.00 0.00 57.85 57.01 1bal n ARG 41 Cb 0.12 -1.56 0.46 0.00 0.45 0.00 0.00 32.46 31.93 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 -2.60 0.26 -0.10 -0.14 1.02 -1.26 -2.82 120.64 115.00 1bal n GLU 42 Ca -0.20 0.11 -0.15 0.00 -0.02 0.00 0.00 57.16 56.90 1bal n GLU 42 Cb 0.91 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.78 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 -1.29 1.89 0.13 1.62 9.92 -1.26 -4.19 116.55 123.37 1bal n ASP 43 Ca 0.09 0.44 0.18 0.00 -0.53 0.00 0.00 54.79 54.97 1bal n ASP 43 Cb 0.15 -0.84 0.77 0.00 -0.64 0.00 0.00 41.12 40.56 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 -1.00 0.51 0.65 2.53 2.07 -1.71 -2.14 116.25 117.16 1bal h VAL 44 Ca -0.23 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 1bal h VAL 44 Cb 1.06 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1bal h VAL 44 CO -0.14 0.00 -0.36 -0.08 0.02 0.00 0.00 177.57 177.01 1bal h GLU 45 N 0.00 -0.91 0.00 1.57 4.81 -1.70 -0.56 114.58 117.79 1bal h GLU 45 Ca 0.15 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1bal h GLU 45 Cb 0.76 0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.35 1bal h GLU 45 CO -0.00 -0.60 0.32 1.63 -0.73 0.00 0.00 179.01 179.63 1bal n LYS 46 N -5.51 0.04 -0.08 1.92 5.02 -0.81 -0.92 118.16 117.82 1bal n LYS 46 Ca -0.13 0.40 -0.13 0.00 -2.02 0.00 0.00 58.31 56.43 1bal n LYS 46 Cb 0.39 -1.95 -0.07 0.00 -0.02 0.00 0.00 35.03 33.38 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 0.00 -2.25 2.13 2.76 -1.17 -3.48 115.15 113.14 1bal h HIS 47 Ca 0.00 0.00 -0.30 0.00 -2.20 0.00 0.00 60.37 57.87 1bal h HIS 47 Cb 0.65 0.00 0.17 0.00 1.55 0.00 0.00 27.41 29.78 1bal h HIS 47 CO 0.00 0.80 -0.39 1.28 -1.30 0.00 0.00 177.93 178.32 1bal n LEU 48 N -4.55 -1.34 -4.74 0.26 4.77 -0.10 -4.89 117.00 106.42 1bal n LEU 48 Ca -0.18 -0.43 -0.41 0.00 -0.03 0.00 0.00 56.01 54.96 1bal n LEU 48 Cb 0.45 -0.86 -0.05 0.00 -2.33 0.00 0.00 43.42 40.63 1bal n LEU 48 CO 0.16 -3.50 0.67 0.00 -1.33 0.00 0.00 177.39 173.40 1bal s ALA 49 N -2.12 3.28 -0.92 -1.18 0.00 -1.26 -4.96 121.76 114.60 1bal s ALA 49 Ca 0.47 0.61 -0.24 0.00 0.00 0.00 0.00 51.96 52.80 1bal s ALA 49 Cb -0.09 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.78 1bal s ALA 49 CO 0.45 0.02 1.56 0.15 0.00 0.00 0.00 175.76 177.95 1bal s LYS 50 N -0.39 3.23 0.00 0.00 1.02 -1.26 -5.10 119.74 117.24 1bal s LYS 50 Ca 0.45 -0.68 0.28 0.00 0.02 0.00 0.00 55.97 56.04 1bal s LYS 50 Cb -0.25 -5.05 1.06 0.00 -0.52 0.00 0.00 37.83 33.07 1bal s LYS 50 CO 0.31 -2.50 1.75 0.00 -0.92 0.00 0.00 175.35 173.99