#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1baz s PRO 8 N 0.00 1.78 0.16 2.12 0.04 -1.26 -5.07 135.00 132.77 1baz s PRO 8 Ca 0.00 0.89 0.09 0.00 0.04 0.00 0.00 61.00 62.01 1baz s PRO 8 Cb 0.00 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 1baz s PRO 8 CO 0.00 -1.90 -0.12 -1.14 0.04 0.00 0.00 177.00 173.89 1baz s GLN 9 N -4.97 2.00 -0.13 4.56 0.74 -1.26 -5.13 119.66 115.48 1baz s GLN 9 Ca 0.62 -1.22 -0.06 0.00 0.05 0.00 0.00 55.36 54.75 1baz s GLN 9 Cb -0.17 -2.17 0.06 0.00 1.10 0.00 0.00 33.01 31.83 1baz s GLN 9 CO 0.56 0.45 0.29 0.54 -0.55 0.00 0.00 175.29 176.58 1baz s VAL 10 N -1.52 -0.16 -0.23 1.34 0.11 -1.26 -5.15 120.40 113.53 1baz s VAL 10 Ca 0.23 0.17 -0.12 0.00 -2.93 0.00 0.00 61.98 59.33 1baz s VAL 10 Cb -0.09 -0.45 -0.05 0.00 -1.53 0.00 0.00 36.38 34.25 1baz s VAL 10 CO 0.14 0.07 0.21 0.54 -3.33 0.00 0.00 175.10 172.72 1baz s ASN 11 N 1.64 6.18 0.21 3.54 4.22 -1.26 -5.10 114.94 124.37 1baz s ASN 11 Ca -0.06 0.20 0.06 0.00 -2.14 0.00 0.00 52.86 50.91 1baz s ASN 11 Cb -0.10 -2.13 -0.04 0.00 1.28 0.00 0.00 41.25 40.26 1baz s ASN 11 CO -0.10 0.04 0.18 -0.76 -2.04 0.00 0.00 177.10 174.43 1baz s LEU 12 N 1.06 3.85 -0.23 3.54 1.43 -1.26 -5.10 118.68 121.97 1baz s LEU 12 Ca 0.10 -0.17 -0.00 0.00 -1.03 0.00 0.00 54.13 53.03 1baz s LEU 12 Cb -0.14 -2.41 0.06 0.00 0.03 0.00 0.00 46.19 43.73 1baz s LEU 12 CO 0.05 0.01 -0.02 -0.60 0.23 0.00 0.00 176.35 176.02 1baz s ARG 13 N -3.49 1.31 0.13 1.70 6.06 -1.26 -5.12 118.95 118.28 1baz s ARG 13 Ca 0.32 -0.87 0.06 0.00 -2.50 0.00 0.00 55.73 52.74 1baz s ARG 13 Cb -0.09 -2.45 -0.04 0.00 0.06 0.00 0.00 34.95 32.43 1baz s ARG 13 CO 0.24 -0.64 -0.15 -1.58 -2.50 0.00 0.00 175.30 170.68 1baz s TRP 14 N 1.52 1.49 0.36 5.12 0.52 -1.26 -5.12 118.94 121.57 1baz s TRP 14 Ca -0.03 -0.55 -0.28 0.00 0.02 0.00 0.00 56.10 55.26 1baz s TRP 14 Cb -0.18 -0.77 -0.12 0.00 -1.15 0.00 0.00 33.47 31.25 1baz s TRP 14 CO -0.08 0.19 1.37 -2.30 0.02 0.00 0.00 176.95 176.15 1baz n PRO 15 N 0.43 2.34 -0.24 4.98 -0.02 -1.26 -4.83 135.00 136.41 1baz n PRO 15 Ca -0.15 0.82 0.04 0.00 -2.02 0.00 0.00 63.50 62.20 1baz n PRO 15 Cb 0.57 -2.48 0.16 0.00 -0.02 0.00 0.00 33.50 31.74 1baz n PRO 15 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1baz h ARG 16 N 2.67 0.30 -0.70 -0.52 9.65 -2.00 -2.25 114.38 121.54 1baz h ARG 16 Ca -0.48 -0.02 0.05 0.00 -1.10 0.00 0.00 59.98 58.43 1baz h ARG 16 Cb 1.27 -0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 29.73 1baz h ARG 16 CO 0.63 0.20 0.42 0.93 2.80 0.00 0.00 179.97 184.94 1baz h GLU 17 N 0.31 0.77 -0.25 0.20 3.07 -1.99 0.15 114.58 116.84 1baz h GLU 17 Ca 0.38 -0.05 -0.06 0.00 -0.50 0.00 0.00 59.36 59.14 1baz h GLU 17 Cb 0.62 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.35 1baz h GLU 17 CO -0.45 0.51 -0.09 0.28 -1.40 0.00 0.00 179.01 177.86 1baz h VAL 18 N 0.79 1.29 -0.69 3.13 2.07 -1.79 -2.40 116.25 118.65 1baz h VAL 18 Ca 0.30 -1.13 -0.06 0.00 0.82 0.00 0.00 66.70 66.63 1baz h VAL 18 Cb 0.11 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 1baz h VAL 18 CO -0.15 0.35 0.21 0.25 0.02 0.00 0.00 177.57 178.26 1baz h LEU 19 N 0.24 1.00 -1.21 2.57 5.85 -1.01 -1.23 115.31 121.52 1baz h LEU 19 Ca 0.06 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.55 1baz h LEU 19 Cb 0.58 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1baz h LEU 19 CO 0.03 0.94 0.02 0.44 -0.34 0.00 0.00 178.44 179.52 1baz h ASP 20 N 1.03 0.52 -0.23 1.25 3.32 -0.68 -0.24 116.42 121.39 1baz h ASP 20 Ca 0.23 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 1baz h ASP 20 Cb 0.30 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1baz h ASP 20 CO -0.01 0.58 0.04 0.25 -1.72 0.00 0.00 179.24 178.38 1baz h LEU 21 N 0.53 0.37 -0.94 1.55 5.85 -0.81 -2.38 115.31 119.48 1baz h LEU 21 Ca 0.12 -0.25 -0.08 0.00 0.84 0.00 0.00 57.88 58.50 1baz h LEU 21 Cb 0.32 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1baz h LEU 21 CO 0.01 0.53 -0.06 0.58 -0.34 0.00 0.00 178.44 179.16 1baz h VAL 22 N 0.19 1.24 -0.69 1.05 2.07 -0.73 -1.96 116.25 117.42 1baz h VAL 22 Ca 0.07 -1.04 -0.03 0.00 0.82 0.00 0.00 66.70 66.51 1baz h VAL 22 Cb 0.31 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 1baz h VAL 22 CO 0.00 0.36 0.30 0.03 0.02 0.00 0.00 177.57 178.28 1baz h ARG 23 N 0.65 1.00 -0.08 1.57 3.08 -0.90 0.47 114.38 120.17 1baz h ARG 23 Ca 0.12 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1baz h ARG 23 Cb 0.49 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 1baz h ARG 23 CO 0.03 0.80 -0.00 -0.22 -1.07 0.00 0.00 179.97 179.50 1baz h LYS 24 N 0.99 0.14 -0.67 0.04 3.11 -1.02 -0.44 116.57 118.72 1baz h LYS 24 Ca 0.24 -0.05 -0.04 0.00 -2.81 0.00 0.00 60.65 57.99 1baz h LYS 24 Cb 0.15 -0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.34 1baz h LYS 24 CO -0.02 0.41 0.27 0.28 -2.81 0.00 0.00 179.45 177.58 1baz h VAL 25 N -0.15 1.24 0.03 2.00 2.07 -1.22 -1.36 116.25 118.86 1baz h VAL 25 Ca 0.02 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 1baz h VAL 25 Cb 0.35 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1baz h VAL 25 CO 0.00 0.30 -0.02 0.00 0.02 0.00 0.00 177.57 177.87 1baz h ALA 26 N 1.12 -0.05 -0.41 1.67 0.00 -0.80 -1.48 119.26 119.31 1baz h ALA 26 Ca 0.22 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1baz h ALA 26 Cb 0.20 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1baz h ALA 26 CO -0.02 -0.53 0.16 1.05 0.00 0.00 0.00 179.25 179.92 1baz h GLU 27 N -0.05 0.58 0.00 0.00 4.11 -0.85 -0.67 114.58 117.70 1baz h GLU 27 Ca -0.00 -0.07 -0.06 0.00 0.07 0.00 0.00 59.36 59.29 1baz h GLU 27 Cb 0.04 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1baz h GLU 27 CO 0.00 0.48 -0.28 0.93 0.07 0.00 0.00 179.01 180.22 1baz h GLU 28 N 0.58 0.00 -0.21 1.06 5.08 -0.55 -2.33 114.58 118.21 1baz h GLU 28 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1baz h GLU 28 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1baz h GLU 28 CO -0.01 0.28 0.00 0.09 -1.00 0.00 0.00 179.01 178.36 1baz n ASN 29 N -3.65 2.66 -2.14 1.42 5.03 -0.42 -4.95 115.26 113.20 1baz n ASN 29 Ca -0.01 -1.86 -0.15 0.00 0.87 0.00 0.00 54.58 53.43 1baz n ASN 29 Cb 0.40 -0.13 0.03 0.00 -1.02 0.00 0.00 39.78 39.06 1baz n ASN 29 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1baz n GLY 30 N 1.34 -0.05 3.34 7.41 0.00 -0.72 -5.02 105.19 111.48 1baz n GLY 30 Ca 0.17 -0.17 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 1baz n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1baz s ARG 31 N -5.45 1.34 0.60 1.61 0.52 -0.39 -5.03 118.95 112.15 1baz s ARG 31 Ca 0.25 -1.65 -0.05 0.00 -0.52 0.00 0.00 55.73 53.76 1baz s ARG 31 Cb -0.11 -0.81 0.02 0.00 0.52 0.00 0.00 34.95 34.57 1baz s ARG 31 CO 0.31 0.00 0.90 -1.54 0.02 0.00 0.00 175.30 174.99 1baz s SER 32 N -3.32 5.40 0.30 0.23 1.04 -1.26 -3.80 113.70 112.30 1baz s SER 32 Ca 0.26 0.57 0.00 0.00 0.48 0.00 0.00 55.95 57.26 1baz s SER 32 Cb 0.04 -1.49 0.52 0.00 0.10 0.00 0.00 66.02 65.19 1baz s SER 32 CO 0.08 -1.17 1.93 0.58 0.98 0.00 0.00 173.24 175.63 1baz h VAL 33 N -0.22 1.10 -0.41 5.02 2.07 -1.93 -1.61 116.25 120.27 1baz h VAL 33 Ca -0.45 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 66.74 1baz h VAL 33 Cb 1.27 -0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1baz h VAL 33 CO 0.60 0.19 0.24 -1.13 0.02 0.00 0.00 177.57 177.48 1baz h ASN 34 N 1.03 0.38 1.04 0.57 -1.24 -1.99 -1.41 115.58 113.96 1baz h ASN 34 Ca 0.36 0.01 -0.16 0.00 0.71 0.00 0.00 56.30 57.22 1baz h ASN 34 Cb 0.12 -0.07 -0.02 0.00 0.73 0.00 0.00 38.32 39.08 1baz h ASN 34 CO -0.12 0.27 -0.76 0.28 -1.29 0.00 0.00 177.43 175.81 1baz h SER 35 N 0.48 0.00 -0.15 1.15 0.02 -1.86 -1.60 113.55 111.58 1baz h SER 35 Ca 0.17 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.09 1baz h SER 35 Cb 0.02 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 1baz h SER 35 CO -0.08 0.76 -0.02 -0.08 -1.14 0.00 0.00 176.83 176.27 1baz h GLU 36 N 0.00 0.29 -0.54 3.45 4.57 -1.08 -0.14 114.58 121.13 1baz h GLU 36 Ca -0.01 -0.10 -0.08 0.00 -1.18 0.00 0.00 59.36 58.00 1baz h GLU 36 Cb 1.49 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 30.03 1baz h GLU 36 CO 0.10 0.54 0.04 0.82 -1.18 0.00 0.00 179.01 179.33 1baz h ILE 37 N 0.01 1.26 -0.30 2.32 2.04 -1.29 -2.31 117.51 119.23 1baz h ILE 37 Ca 0.04 -1.03 0.01 0.00 1.00 0.00 0.00 64.86 64.88 1baz h ILE 37 Cb 0.42 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1baz h ILE 37 CO 0.01 0.37 0.17 0.22 0.00 0.00 0.00 178.15 178.93 1baz h TYR 38 N 0.80 0.32 -0.40 1.37 3.20 -1.20 -1.19 116.97 119.87 1baz h TYR 38 Ca 0.16 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.06 1baz h TYR 38 Cb 0.47 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.61 1baz h TYR 38 CO 0.03 0.19 0.23 0.37 -1.64 0.00 0.00 178.16 177.34 1baz h GLN 39 N 0.36 0.45 -0.62 1.82 5.75 -0.83 0.35 115.11 122.38 1baz h GLN 39 Ca 0.12 -0.03 -0.06 0.00 -0.15 0.00 0.00 58.65 58.53 1baz h GLN 39 Cb 0.00 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.43 1baz h GLN 39 CO -0.06 0.30 0.15 0.00 -2.65 0.00 0.00 178.83 176.57 1baz h ARG 40 N 0.46 0.97 -0.15 1.69 3.08 -1.23 -1.02 114.38 118.19 1baz h ARG 40 Ca 0.16 -0.22 -0.07 0.00 0.07 0.00 0.00 59.98 59.92 1baz h ARG 40 Cb 0.02 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 1baz h ARG 40 CO -0.08 0.87 -0.20 0.28 -1.07 0.00 0.00 179.97 179.77 1baz h VAL 41 N 0.93 1.35 -0.73 2.04 2.07 -0.69 -2.76 116.25 118.46 1baz h VAL 41 Ca 0.20 -1.40 -0.02 0.00 0.82 0.00 0.00 66.70 66.29 1baz h VAL 41 Cb 0.34 1.92 -0.03 0.00 -1.52 0.00 0.00 31.29 32.00 1baz h VAL 41 CO 0.00 0.42 0.37 0.24 0.02 0.00 0.00 177.57 178.62 1baz h MET 42 N 0.02 1.02 -0.86 1.57 2.86 -0.89 -1.94 114.93 116.71 1baz h MET 42 Ca 0.02 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 1baz h MET 42 Cb 0.76 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 32.18 1baz h MET 42 CO 0.05 0.77 0.49 0.93 1.06 0.00 0.00 176.91 180.20 1baz h GLU 43 N 1.02 1.18 -0.01 1.72 3.07 -1.16 -1.38 114.58 119.03 1baz h GLU 43 Ca 0.25 -0.13 -0.08 0.00 -0.50 0.00 0.00 59.36 58.91 1baz h GLU 43 Cb 0.07 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 27.73 1baz h GLU 43 CO -0.04 0.86 -0.37 0.66 -1.40 0.00 0.00 179.01 178.72 1baz h SER 44 N 1.19 0.03 0.01 1.42 4.64 -1.07 -1.05 113.55 118.71 1baz h SER 44 Ca 0.30 -0.01 -0.22 0.00 -0.47 0.00 0.00 61.79 61.39 1baz h SER 44 Cb 0.00 -0.01 0.01 0.00 -0.31 0.00 0.00 62.40 62.09 1baz h SER 44 CO -0.05 0.39 -0.82 -0.26 -0.87 0.00 0.00 176.83 175.22 1baz h PHE 45 N 0.02 0.91 -0.14 4.77 0.04 -0.86 -1.72 116.94 119.97 1baz h PHE 45 Ca 0.00 -0.42 -0.02 0.00 2.80 0.00 0.00 57.97 60.32 1baz h PHE 45 Cb 0.66 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 38.67 1baz h PHE 45 CO 0.00 1.24 -0.00 0.87 -0.60 0.00 0.00 178.31 179.82 1baz h LYS 46 N 0.43 0.25 -0.89 1.51 1.57 -1.04 0.16 116.57 118.57 1baz h LYS 46 Ca -0.06 -0.08 0.12 0.00 -1.87 0.00 0.00 60.65 58.76 1baz h LYS 46 Cb 1.44 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 33.66 1baz h LYS 46 CO 0.16 0.49 0.57 -0.22 -0.57 0.00 0.00 179.45 179.88 1baz h LYS 47 N -0.02 0.77 -0.00 3.15 1.63 -1.21 0.28 116.57 121.16 1baz h LYS 47 Ca 0.04 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1baz h LYS 47 Cb 0.38 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.84 1baz h LYS 47 CO 0.01 0.51 -0.18 0.39 -3.45 0.00 0.00 179.45 176.73 1baz n GLU 48 N -4.55 0.44 -2.97 1.90 1.02 -0.65 -4.95 120.64 110.89 1baz n GLU 48 Ca 0.16 -0.17 -0.13 0.00 -0.02 0.00 0.00 57.16 57.00 1baz n GLU 48 Cb 0.38 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.34 1baz n GLU 48 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1baz n GLY 49 N 1.37 0.05 0.04 0.62 0.00 0.97 -4.94 105.19 103.30 1baz n GLY 49 Ca 0.11 -0.18 0.11 0.00 0.00 0.00 0.00 46.02 46.06 1baz n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1baz n ARG 50 N -2.93 0.36 -3.72 1.61 5.12 0.40 -4.98 116.66 112.51 1baz n ARG 50 Ca -0.02 0.01 -0.11 0.00 -1.93 0.00 0.00 57.85 55.80 1baz n ARG 50 Cb 0.55 -1.63 -0.06 0.00 -1.16 0.00 0.00 32.46 30.16 1baz n ARG 50 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 1baz s ILE 51 N -3.24 0.09 -2.95 0.55 2.07 -1.26 -5.04 121.20 111.43 1baz s ILE 51 Ca 0.02 -0.72 0.24 0.00 -1.41 0.00 0.00 60.65 58.79 1baz s ILE 51 Cb 0.14 -1.10 0.23 0.00 0.13 0.00 0.00 42.46 41.85 1baz s ILE 51 CO 0.80 -0.40 1.31 0.61 -1.91 0.00 0.00 174.94 175.36