#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1psm n ALA 2 N 0.00 3.95 -1.00 -1.84 0.00 -1.26 -5.01 120.51 115.34 1psm n ALA 2 Ca 0.00 -3.66 0.00 0.00 0.00 0.00 0.00 53.44 49.78 1psm n ALA 2 Cb 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 18.66 1psm n ALA 2 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1psm n TYR 3 N -0.19 0.00 -3.75 0.00 4.11 -1.26 -4.90 117.16 111.17 1psm n TYR 3 Ca 0.22 0.00 -0.29 0.00 -0.00 0.00 0.00 57.90 57.83 1psm n TYR 3 Cb 0.73 0.00 -0.15 0.00 -0.00 0.00 0.00 39.34 39.91 1psm n TYR 3 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.86 177.01 1psm s LYS 4 N 0.00 0.77 0.39 -3.48 -0.14 -1.26 -5.06 119.74 110.97 1psm s LYS 4 Ca 0.00 -0.90 -0.12 0.00 -1.36 0.00 0.00 55.97 53.59 1psm s LYS 4 Cb 0.00 -2.06 0.05 0.00 -1.68 0.00 0.00 37.83 34.14 1psm s LYS 4 CO 0.00 -0.87 0.74 0.36 -0.76 0.00 0.00 175.35 174.82 1psm n LYS 5 N 4.89 1.06 -3.00 1.68 2.85 -1.26 -5.11 118.16 119.26 1psm n LYS 5 Ca -0.05 -2.37 -0.43 0.00 -1.05 0.00 0.00 58.31 54.41 1psm n LYS 5 Cb 0.43 2.79 -0.05 0.00 -0.65 0.00 0.00 35.03 37.55 1psm n LYS 5 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1psm s ALA 6 N -2.23 3.28 -0.68 0.58 0.00 -1.26 -4.90 121.76 116.54 1psm s ALA 6 Ca 0.19 -1.39 0.24 0.00 0.00 0.00 0.00 51.96 51.00 1psm s ALA 6 Cb -0.04 -3.51 0.35 0.00 0.00 0.00 0.00 23.12 19.92 1psm s ALA 6 CO 0.14 -2.12 1.31 1.63 0.00 0.00 0.00 175.76 176.72 1psm n LYS 7 N 6.75 0.25 0.14 0.00 5.02 -1.26 -3.33 118.16 125.74 1psm n LYS 7 Ca -0.02 0.07 0.06 0.00 -2.02 0.00 0.00 58.31 56.40 1psm n LYS 7 Cb 0.47 -1.65 0.04 0.00 -0.02 0.00 0.00 35.03 33.87 1psm n LYS 7 CO 0.00 0.00 0.00 -0.56 -0.52 0.00 0.00 177.40 176.32 1psm h GLN 8 N 0.00 0.00 -3.73 1.97 3.07 -1.99 -3.40 115.11 111.03 1psm h GLN 8 Ca 0.00 0.00 -0.78 0.00 0.09 0.00 0.00 58.65 57.96 1psm h GLN 8 Cb 0.71 0.00 -0.28 0.00 0.08 0.00 0.00 27.48 27.99 1psm h GLN 8 CO 0.00 0.28 0.10 0.00 0.09 0.00 0.00 178.83 179.29 1psm s ALA 9 N -3.07 4.15 0.02 0.06 0.00 -1.21 -4.30 121.76 117.41 1psm s ALA 9 Ca 0.03 -3.43 -0.08 0.00 0.00 0.00 0.00 51.96 48.48 1psm s ALA 9 Cb 0.07 -3.40 0.03 0.00 0.00 0.00 0.00 23.12 19.82 1psm s ALA 9 CO 0.74 -2.24 0.36 0.43 0.00 0.00 0.00 175.76 175.05 1psm n SER 10 N 3.62 -0.44 0.00 0.00 7.64 -1.26 -4.85 113.62 118.32 1psm n SER 10 Ca 0.15 -1.17 0.09 0.00 1.01 0.00 0.00 58.87 58.95 1psm n SER 10 Cb 0.44 0.71 0.52 0.00 -1.01 0.00 0.00 64.21 64.87 1psm n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1psm n GLN 11 N -0.26 0.53 0.15 1.43 10.64 -1.26 -0.97 117.38 127.64 1psm n GLN 11 Ca 0.00 0.01 0.07 0.00 -1.83 0.00 0.00 57.00 55.26 1psm n GLN 11 Cb 0.18 -1.50 0.06 0.00 -0.86 0.00 0.00 30.24 28.12 1psm n GLN 11 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.06 175.45 1psm h ASP 12 N 0.00 0.00 0.12 2.61 3.58 -1.91 -1.76 116.42 119.06 1psm h ASP 12 Ca 0.00 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.38 1psm h ASP 12 Cb 0.01 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 1psm h ASP 12 CO 0.00 0.23 -1.95 0.00 -2.88 0.00 0.00 179.24 174.64 1psm n ALA 13 N -2.19 2.52 0.12 -0.78 0.00 -0.14 -4.05 120.51 115.99 1psm n ALA 13 Ca 0.01 -0.64 -0.21 0.00 0.00 0.00 0.00 53.44 52.60 1psm n ALA 13 Cb 0.64 -0.69 -0.15 0.00 0.00 0.00 0.00 19.45 19.24 1psm n ALA 13 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1psm h GLU 14 N 0.00 0.42 0.10 0.00 4.81 -1.53 -3.08 114.58 115.30 1psm h GLU 14 Ca -0.10 -0.72 -0.29 0.00 -0.13 0.00 0.00 59.36 58.12 1psm h GLU 14 Cb 1.24 0.27 -0.01 0.00 0.63 0.00 0.00 28.75 30.88 1psm h GLU 14 CO 0.01 1.34 -1.42 0.37 -0.73 0.00 0.00 179.01 178.58 1psm h GLN 15 N 0.11 0.20 0.00 1.92 -0.00 -1.54 -3.15 115.11 112.66 1psm h GLN 15 Ca -0.22 -0.34 0.00 0.00 -0.00 0.00 0.00 58.65 58.09 1psm h GLN 15 Cb 2.09 0.13 0.00 0.00 0.00 0.00 0.00 27.48 29.70 1psm h GLN 15 CO 0.24 1.07 0.00 0.00 0.00 0.00 0.00 178.83 180.14 1psm n ALA 16 N -2.59 2.26 0.26 3.38 0.00 -1.26 -1.50 120.51 121.07 1psm n ALA 16 Ca -0.13 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.36 1psm n ALA 16 Cb 1.03 -1.45 0.03 0.00 0.00 0.00 0.00 19.45 19.06 1psm n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1psm n ALA 17 N -1.60 2.74 -0.04 0.00 0.00 -1.16 -3.82 120.51 116.63 1psm n ALA 17 Ca 0.06 -0.27 -0.22 0.00 0.00 0.00 0.00 53.44 53.01 1psm n ALA 17 Cb 0.35 -1.09 -0.13 0.00 0.00 0.00 0.00 19.45 18.59 1psm n ALA 17 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1psm n LYS 18 N -2.44 0.68 -0.36 0.00 4.81 -0.56 -3.67 118.16 116.62 1psm n LYS 18 Ca 0.01 0.38 0.04 0.00 -0.87 0.00 0.00 58.31 57.87 1psm n LYS 18 Cb 0.51 -1.72 0.19 0.00 0.02 0.00 0.00 35.03 34.03 1psm n LYS 18 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1psm n ASP 19 N -3.85 2.89 -0.01 3.14 8.00 -0.78 -2.74 116.55 123.20 1psm n ASP 19 Ca -0.32 -2.30 -0.17 0.00 0.71 0.00 0.00 54.79 52.70 1psm n ASP 19 Cb 0.91 -0.47 -0.14 0.00 -0.02 0.00 0.00 41.12 41.39 1psm n ASP 19 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1psm n ALA 20 N 0.41 1.12 0.04 2.24 0.00 -1.25 -4.49 120.51 118.58 1psm n ALA 20 Ca 0.13 -0.68 -0.07 0.00 0.00 0.00 0.00 53.44 52.82 1psm n ALA 20 Cb 0.58 -0.71 -0.12 0.00 0.00 0.00 0.00 19.45 19.20 1psm n ALA 20 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1psm h GLU 21 N 0.04 0.00 0.00 0.00 4.11 -1.59 -3.39 114.58 113.76 1psm h GLU 21 Ca -0.39 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.01 1psm h GLU 21 Cb 2.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.28 1psm h GLU 21 CO 0.08 0.89 -0.12 -0.91 0.07 0.00 0.00 179.01 179.02 1psm h ASN 22 N 0.00 0.00 0.91 3.06 2.35 -1.76 -0.44 115.58 119.70 1psm h ASN 22 Ca -0.08 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.45 1psm h ASN 22 Cb 1.83 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 40.17 1psm h ASN 22 CO 0.12 0.12 -1.07 0.00 -1.65 0.00 0.00 177.43 174.95 1psm h ALA 23 N 1.88 0.32 0.00 -0.83 0.00 -1.82 -2.90 119.26 115.90 1psm h ALA 23 Ca -0.00 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 53.98 1psm h ALA 23 Cb 0.49 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1psm h ALA 23 CO 0.02 1.21 -0.68 0.43 0.00 0.00 0.00 179.25 180.23 1psm n SER 24 N -3.38 0.61 -0.05 0.00 7.64 -0.49 -0.12 113.62 117.85 1psm n SER 24 Ca -0.02 -0.09 -0.15 0.00 1.01 0.00 0.00 58.87 59.62 1psm n SER 24 Cb 0.96 0.34 -0.07 0.00 -1.01 0.00 0.00 64.21 64.43 1psm n SER 24 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1psm h LYS 25 N 0.00 0.65 0.43 1.43 1.79 -1.18 -2.67 116.57 117.01 1psm h LYS 25 Ca 0.00 -0.46 -0.02 0.00 -2.18 0.00 0.00 60.65 57.98 1psm h LYS 25 Cb 0.66 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.39 1psm h LYS 25 CO 0.00 1.08 -0.21 0.93 -1.08 0.00 0.00 179.45 180.18 1psm h GLU 26 N 0.33 -0.55 -1.75 3.15 5.08 -1.55 -3.36 114.58 115.92 1psm h GLU 26 Ca -0.01 0.04 -0.40 0.00 -1.00 0.00 0.00 59.36 57.99 1psm h GLU 26 Cb 1.12 0.13 -0.15 0.00 0.50 0.00 0.00 28.75 30.35 1psm h GLU 26 CO 0.11 -0.33 0.37 0.00 -1.00 0.00 0.00 179.01 178.16 1psm n ALA 27 N -2.71 5.77 0.01 3.43 0.00 0.83 -3.30 120.51 124.54 1psm n ALA 27 Ca -0.08 -2.29 -0.21 0.00 0.00 0.00 0.00 53.44 50.86 1psm n ALA 27 Cb 0.25 -1.76 -0.14 0.00 0.00 0.00 0.00 19.45 17.80 1psm n ALA 27 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1psm n GLU 28 N 0.67 0.76 0.00 0.00 2.13 -1.01 -4.77 120.64 118.41 1psm n GLU 28 Ca 0.39 0.26 0.05 0.00 0.66 0.00 0.00 57.16 58.53 1psm n GLU 28 Cb 0.58 -1.72 0.24 0.00 0.27 0.00 0.00 31.44 30.82 1psm n GLU 28 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1psm n GLU 29 N -3.47 0.03 0.06 5.31 2.13 -1.21 -0.49 120.64 123.00 1psm n GLU 29 Ca -0.31 0.29 0.05 0.00 0.66 0.00 0.00 57.16 57.85 1psm n GLU 29 Cb 1.05 -1.50 -0.05 0.00 0.27 0.00 0.00 31.44 31.21 1psm n GLU 29 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1psm n ALA 30 N -1.46 2.18 -0.02 4.31 0.00 -1.26 -4.50 120.51 119.76 1psm n ALA 30 Ca 0.03 -0.41 -0.01 0.00 0.00 0.00 0.00 53.44 53.05 1psm n ALA 30 Cb 0.12 -1.02 -0.00 0.00 0.00 0.00 0.00 19.45 18.54 1psm n ALA 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1psm n ALA 31 N -2.30 0.13 -1.30 0.00 0.00 0.36 -5.10 120.51 112.29 1psm n ALA 31 Ca -0.06 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1psm n ALA 31 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.17 1psm n ALA 31 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1psm n LYS 32 N -2.87 0.00 -0.61 0.00 3.00 -0.12 -4.83 118.16 112.73 1psm n LYS 32 Ca -0.02 0.32 -0.09 0.00 -0.00 0.00 0.00 58.31 58.52 1psm n LYS 32 Cb 0.08 -1.30 0.03 0.00 0.00 0.00 0.00 35.03 33.84 1psm n LYS 32 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1psm n GLU 33 N -0.98 1.44 -0.02 1.64 1.02 -1.26 -0.70 120.64 121.77 1psm n GLU 33 Ca 0.00 -0.90 -0.18 0.00 -0.02 0.00 0.00 57.16 56.05 1psm n GLU 33 Cb 0.43 -1.35 -0.14 0.00 -0.02 0.00 0.00 31.44 30.36 1psm n GLU 33 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1psm n ALA 34 N 0.57 1.07 -0.21 0.62 0.00 -1.26 -4.68 120.51 116.62 1psm n ALA 34 Ca 0.18 -0.70 0.03 0.00 0.00 0.00 0.00 53.44 52.94 1psm n ALA 34 Cb 0.64 -0.63 0.07 0.00 0.00 0.00 0.00 19.45 19.53 1psm n ALA 34 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1psm n VAL 35 N -3.36 1.16 -3.89 0.00 0.24 0.12 -4.86 118.33 107.74 1psm n VAL 35 Ca -0.31 -1.18 -0.11 0.00 -2.04 0.00 0.00 64.34 60.70 1psm n VAL 35 Cb 1.05 0.38 -0.11 0.00 -1.47 0.00 0.00 33.84 33.69 1psm n VAL 35 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1psm s ASN 36 N -1.25 0.05 -0.35 -1.34 2.47 -1.15 -5.05 114.94 108.31 1psm s ASN 36 Ca 0.11 -0.18 0.12 0.00 0.42 0.00 0.00 52.86 53.33 1psm s ASN 36 Cb 0.08 0.19 0.41 0.00 -1.45 0.00 0.00 41.25 40.47 1psm s ASN 36 CO 0.05 -0.28 1.48 0.18 -3.72 0.00 0.00 177.10 174.81 1psm n LEU 37 N 1.83 -1.47 0.00 3.21 7.99 -1.26 -4.35 117.00 122.95 1psm n LEU 37 Ca -0.21 -3.28 0.00 0.00 -0.01 0.00 0.00 56.01 52.51 1psm n LEU 37 Cb 0.56 0.09 0.00 0.00 -0.11 0.00 0.00 43.42 43.96 1psm n LEU 37 CO 0.21 1.75 0.00 0.29 -1.51 0.00 0.00 177.39 178.13