#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2occ s PRO 7 N 0.00 4.38 0.42 0.00 0.04 -1.26 -5.09 135.00 133.49 2occ s PRO 7 Ca 0.00 0.68 0.06 0.00 0.04 0.00 0.00 61.00 61.78 2occ s PRO 7 Cb 0.00 -3.45 0.01 0.00 0.04 0.00 0.00 34.50 31.10 2occ s PRO 7 CO 0.00 0.08 0.58 0.16 0.04 0.00 0.00 177.00 177.86 2occ s ASP 8 N 0.75 5.70 0.33 6.66 1.47 -1.26 -4.94 116.67 125.37 2occ s ASP 8 Ca 0.32 -0.24 0.10 0.00 1.18 0.00 0.00 52.55 53.91 2occ s ASP 8 Cb -0.16 -0.92 0.97 0.00 -0.34 0.00 0.00 42.92 42.47 2occ s ASP 8 CO 0.14 -0.73 1.61 0.15 0.68 0.00 0.00 175.17 177.03 2occ h PHE 9 N 0.60 0.49 -0.33 2.11 3.04 -1.99 0.12 116.94 120.98 2occ h PHE 9 Ca -0.42 0.05 -0.16 0.00 3.98 0.00 0.00 57.97 61.42 2occ h PHE 9 Cb 1.27 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 39.72 2occ h PHE 9 CO 0.41 -0.34 -0.42 0.45 -2.02 0.00 0.00 178.31 176.39 2occ h HIS 10 N 0.12 0.99 -0.72 0.41 -0.00 -1.94 -0.29 115.15 113.72 2occ h HIS 10 Ca 0.68 -0.30 -0.05 0.00 -0.00 0.00 0.00 60.37 60.69 2occ h HIS 10 Cb 1.56 -0.20 -0.03 0.00 -0.00 0.00 0.00 27.41 28.74 2occ h HIS 10 CO -0.21 1.10 0.24 -0.44 -0.00 0.00 0.00 177.93 178.62 2occ h ASP 11 N 0.66 1.04 0.16 2.45 3.32 -1.17 0.10 116.42 122.98 2occ h ASP 11 Ca 0.05 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 2occ h ASP 11 Cb 1.00 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.28 2occ h ASP 11 CO 0.10 0.96 -0.08 0.11 -1.72 0.00 0.00 179.24 178.61 2occ h LYS 12 N 1.06 -0.21 0.00 3.56 1.57 -1.31 -3.41 116.57 117.83 2occ h LYS 12 Ca 0.23 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2occ h LYS 12 Cb 0.28 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.64 2occ h LYS 12 CO -0.01 -0.14 -0.93 0.66 -0.57 0.00 0.00 179.45 178.45 2occ n TYR 13 N -3.70 0.34 -0.30 -1.35 4.01 -0.13 -4.53 117.16 111.51 2occ n TYR 13 Ca -0.03 0.10 -0.01 0.00 -0.16 0.00 0.00 57.90 57.81 2occ n TYR 13 Cb 0.09 -0.50 0.06 0.00 -0.31 0.00 0.00 39.34 38.68 2occ n TYR 13 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2occ h GLY 14 N 4.53 0.23 1.06 2.72 0.00 -0.80 0.11 103.07 110.91 2occ h GLY 14 Ca 0.00 0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.71 2occ h GLY 14 CO 0.00 -0.25 0.44 3.43 0.00 0.00 0.00 176.54 180.16 2occ h ASN 15 N -0.05 1.09 0.33 0.19 2.35 -1.80 0.10 115.58 117.80 2occ h ASN 15 Ca 0.34 -0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.96 2occ h ASN 15 Cb 0.59 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.69 2occ h ASN 15 CO -0.85 0.90 -0.16 0.00 -1.65 0.00 0.00 177.43 175.67 2occ h ALA 16 N 1.27 -0.44 -0.50 -0.83 0.00 -1.46 -2.24 119.26 115.07 2occ h ALA 16 Ca 0.30 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.12 2occ h ALA 16 Cb 0.07 0.17 -0.10 0.00 0.00 0.00 0.00 17.79 17.93 2occ h ALA 16 CO -0.04 -0.57 -0.16 0.28 0.00 0.00 0.00 179.25 178.76 2occ h VAL 17 N -0.80 0.44 0.05 0.00 2.07 -0.63 -0.61 116.25 116.77 2occ h VAL 17 Ca -0.05 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.49 2occ h VAL 17 Cb 0.52 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 2occ h VAL 17 CO 0.07 0.00 -0.11 0.25 0.02 0.00 0.00 177.57 177.81 2occ h LEU 18 N -0.04 -0.30 0.32 2.57 5.85 -0.79 -1.47 115.31 121.45 2occ h LEU 18 Ca 0.24 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.98 2occ h LEU 18 Cb 0.41 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.56 2occ h LEU 18 CO -0.54 -0.16 -0.15 0.00 -0.34 0.00 0.00 178.44 177.25 2occ h ALA 19 N 0.72 -0.43 -0.14 1.25 0.00 -0.74 -1.21 119.26 118.70 2occ h ALA 19 Ca 0.03 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 2occ h ALA 19 Cb 0.23 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2occ h ALA 19 CO -0.08 -0.55 -0.10 0.66 0.00 0.00 0.00 179.25 179.19 2occ h SER 20 N -0.82 0.20 -0.25 0.00 4.64 -1.21 0.09 113.55 116.20 2occ h SER 20 Ca -0.04 -0.03 -0.12 0.00 -0.47 0.00 0.00 61.79 61.12 2occ h SER 20 Cb 0.52 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2occ h SER 20 CO 0.07 0.33 -0.30 1.23 -0.87 0.00 0.00 176.83 177.29 2occ h GLY 21 N 0.65 0.70 0.93 -0.77 0.00 -1.27 -1.48 103.07 101.83 2occ h GLY 21 Ca 0.05 -0.75 -0.02 0.00 0.00 0.00 0.00 47.33 46.61 2occ h GLY 21 CO 0.02 0.68 0.14 0.00 0.00 0.00 0.00 176.54 177.37 2occ h ALA 22 N 0.67 0.43 -0.19 3.60 0.00 -0.72 -1.71 119.26 121.33 2occ h ALA 22 Ca 0.03 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2occ h ALA 22 Cb 0.88 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2occ h ALA 22 CO 0.07 0.01 0.10 1.15 0.00 0.00 0.00 179.25 180.59 2occ h THR 23 N 0.39 1.11 -0.77 0.00 2.02 -1.00 -2.47 112.91 112.19 2occ h THR 23 Ca 0.11 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 67.00 2occ h THR 23 Cb 0.16 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 2occ h THR 23 CO -0.01 0.10 0.49 0.15 0.37 0.00 0.00 175.52 176.62 2occ h PHE 24 N 0.20 0.99 0.45 3.16 3.57 -1.16 -2.52 116.94 121.63 2occ h PHE 24 Ca 0.07 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 2occ h PHE 24 Cb 0.08 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.47 2occ h PHE 24 CO -0.04 0.64 -0.34 0.00 -2.23 0.00 0.00 178.31 176.34 2occ h VAL 26 N -0.79 1.01 0.23 0.00 2.07 -1.32 -2.39 116.25 115.06 2occ h VAL 26 Ca -0.04 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 2occ h VAL 26 Cb 0.67 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 2occ h VAL 26 CO 0.00 0.19 -0.11 0.00 0.02 0.00 0.00 177.57 177.67 2occ h ALA 27 N 1.51 -0.31 -0.84 1.67 0.00 -1.29 -1.86 119.26 118.14 2occ h ALA 27 Ca 0.44 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2occ h ALA 27 Cb 0.33 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 2occ h ALA 27 CO -0.20 -0.48 0.53 0.28 0.00 0.00 0.00 179.25 179.38 2occ h VAL 28 N -0.70 1.22 -0.07 0.00 2.07 -1.38 -0.64 116.25 116.76 2occ h VAL 28 Ca -0.03 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 2occ h VAL 28 Cb 0.48 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 2occ h VAL 28 CO 0.05 0.23 0.00 -0.50 0.02 0.00 0.00 177.57 177.37 2occ h TRP 29 N 1.14 0.12 -0.78 1.57 4.06 -1.43 -0.58 115.95 120.05 2occ h TRP 29 Ca 0.30 -0.02 0.03 0.00 2.06 0.00 0.00 58.89 61.26 2occ h TRP 29 Cb -0.09 -0.03 -0.05 0.00 -1.00 0.00 0.00 29.16 28.00 2occ h TRP 29 CO 0.00 0.37 0.50 0.28 -3.56 0.00 0.00 178.44 176.03 2occ h VAL 30 N -0.16 1.13 0.41 1.49 2.07 -1.12 0.19 116.25 120.26 2occ h VAL 30 Ca 0.02 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 2occ h VAL 30 Cb 0.31 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 2occ h VAL 30 CO 0.00 0.18 -0.20 0.22 0.02 0.00 0.00 177.57 177.79 2occ h TYR 31 N 0.98 -0.51 -0.85 1.57 3.20 -0.98 -2.51 116.97 117.86 2occ h TYR 31 Ca 0.31 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.23 2occ h TYR 31 Cb -0.00 0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.38 2occ h TYR 31 CO -0.03 -0.29 0.56 1.98 -1.64 0.00 0.00 178.16 178.74 2occ h MET 32 N -0.61 0.93 0.00 1.82 4.05 -0.27 0.27 114.93 121.12 2occ h MET 32 Ca -0.06 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.31 2occ h MET 32 Cb 0.46 -0.21 0.00 0.00 -0.80 0.00 0.00 31.60 31.05 2occ h MET 32 CO 0.09 0.62 0.00 0.00 0.23 0.00 0.00 176.91 177.85 2occ n ALA 33 N -2.41 1.97 0.00 0.39 0.00 0.60 -4.13 120.51 116.93 2occ n ALA 33 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2occ n ALA 33 Cb 0.20 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.26 2occ n ALA 33 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2occ n THR 34 N -1.91 0.00 -0.04 0.00 -2.24 -0.71 -4.92 114.28 104.47 2occ n THR 34 Ca 0.04 -0.01 0.05 0.00 -2.27 0.00 0.00 64.05 61.86 2occ n THR 34 Cb 0.29 0.19 -0.17 0.00 -2.10 0.00 0.00 70.33 68.54 2occ n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2occ n GLN 35 N -0.33 0.67 -2.71 -0.78 1.13 0.86 -4.92 117.38 111.29 2occ n GLN 35 Ca 0.00 -0.14 -0.21 0.00 -1.94 0.00 0.00 57.00 54.71 2occ n GLN 35 Cb 0.00 -1.52 0.06 0.00 0.11 0.00 0.00 30.24 28.89 2occ n GLN 35 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 2occ s ILE 36 N -3.20 2.45 0.00 5.09 -4.36 -1.25 -5.00 121.20 114.93 2occ s ILE 36 Ca -0.09 -0.72 0.00 0.00 -0.26 0.00 0.00 60.65 59.58 2occ s ILE 36 Cb 0.12 -2.73 0.00 0.00 1.25 0.00 0.00 42.46 41.10 2occ s ILE 36 CO 0.88 0.00 1.38 0.61 0.24 0.00 0.00 174.94 178.05 2occ n GLY 37 N -2.44 2.17 3.70 6.27 0.00 -1.26 -4.94 105.19 108.68 2occ n GLY 37 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2occ n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2occ s ILE 38 N 0.02 2.74 -0.47 -0.61 1.01 -1.26 -4.95 121.20 117.69 2occ s ILE 38 Ca 0.00 0.34 -0.18 0.00 0.00 0.00 0.00 60.65 60.81 2occ s ILE 38 Cb 0.00 -3.22 0.04 0.00 0.01 0.00 0.00 42.46 39.29 2occ s ILE 38 CO 0.00 0.01 0.53 -1.61 0.00 0.00 0.00 174.94 173.87 2occ s GLU 39 N 2.19 3.11 0.32 2.79 0.41 -1.26 -4.88 118.70 121.38 2occ s GLU 39 Ca 0.75 -0.85 0.19 0.00 -0.41 0.00 0.00 54.97 54.64 2occ s GLU 39 Cb -0.43 -4.04 0.15 0.00 -1.78 0.00 0.00 34.13 28.02 2occ s GLU 39 CO 0.33 -1.05 1.43 -1.49 -0.49 0.00 0.00 175.26 173.99 2occ h TRP 40 N 8.86 0.00 -6.57 1.61 4.06 -1.96 -3.48 115.95 118.47 2occ h TRP 40 Ca -0.27 0.00 -0.47 0.00 2.06 0.00 0.00 58.89 60.21 2occ h TRP 40 Cb 1.10 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 29.28 2occ h TRP 40 CO 0.69 0.29 -0.94 -1.71 -3.56 0.00 0.00 178.44 173.21 2occ n ASN 41 N -3.11 -4.98 -4.71 -3.49 5.15 -1.26 -4.97 115.26 97.88 2occ n ASN 41 Ca 0.02 -1.02 -0.29 0.00 -0.60 0.00 0.00 54.58 52.68 2occ n ASN 41 Cb 0.65 -2.40 0.16 0.00 -0.53 0.00 0.00 39.78 37.66 2occ n ASN 41 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2occ s PRO 42 N -5.92 0.74 0.32 1.20 0.04 -1.26 -4.97 135.00 125.15 2occ s PRO 42 Ca 0.30 0.48 -0.29 0.00 0.04 0.00 0.00 61.00 61.52 2occ s PRO 42 Cb -0.14 -1.78 -0.10 0.00 0.04 0.00 0.00 34.50 32.52 2occ s PRO 42 CO 0.90 -2.51 1.42 -1.54 0.04 0.00 0.00 177.00 175.31 2occ s SER 43 N -3.63 6.59 0.46 6.66 1.04 -1.26 -4.89 113.70 118.67 2occ s SER 43 Ca 0.65 2.80 0.26 0.00 0.48 0.00 0.00 55.95 60.14 2occ s SER 43 Cb -0.17 -2.65 0.94 0.00 0.10 0.00 0.00 66.02 64.24 2occ s SER 43 CO 0.56 -0.71 1.83 1.55 0.98 0.00 0.00 173.24 177.45 2occ h PRO 44 N 3.89 0.00 -6.20 4.02 0.13 -1.96 -3.42 132.00 128.47 2occ h PRO 44 Ca -0.48 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.01 2occ h PRO 44 Cb 1.23 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.37 2occ h PRO 44 CO 0.70 0.17 1.15 1.55 -0.23 0.00 0.00 178.00 181.34 2occ n VAL 45 N -3.29 0.48 0.00 1.56 3.14 -1.26 -0.16 118.33 118.80 2occ n VAL 45 Ca 0.01 -0.15 0.00 0.00 -2.96 0.00 0.00 64.34 61.24 2occ n VAL 45 Cb 0.42 -1.81 0.00 0.00 -1.06 0.00 0.00 33.84 31.39 2occ n VAL 45 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2occ n GLY 46 N 4.79 2.61 0.21 7.55 0.00 -1.26 -4.79 105.19 114.31 2occ n GLY 46 Ca 0.26 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.15 2occ n GLY 46 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2occ n ARG 47 N -2.00 0.49 -3.29 1.61 0.63 0.78 -5.02 116.66 109.86 2occ n ARG 47 Ca 0.00 0.20 -0.39 0.00 -0.92 0.00 0.00 57.85 56.74 2occ n ARG 47 Cb 0.00 -1.34 -0.06 0.00 0.45 0.00 0.00 32.46 31.51 2occ n ARG 47 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2occ s VAL 48 N -2.70 4.78 -0.42 5.15 1.01 0.06 -5.06 120.40 123.23 2occ s VAL 48 Ca -0.28 1.18 -0.20 0.00 0.00 0.00 0.00 61.98 62.67 2occ s VAL 48 Cb 0.07 -3.88 0.02 0.00 0.00 0.00 0.00 36.38 32.58 2occ s VAL 48 CO 0.40 0.55 0.63 -0.89 0.00 0.00 0.00 175.10 175.78 2occ s THR 49 N -1.03 4.86 0.05 3.92 2.01 -1.26 -4.87 115.64 119.31 2occ s THR 49 Ca 0.28 0.20 -0.36 0.00 0.31 0.00 0.00 61.69 62.13 2occ s THR 49 Cb -0.19 -4.16 -0.15 0.00 0.01 0.00 0.00 72.50 68.01 2occ s THR 49 CO 0.18 -0.51 1.57 -2.65 -0.69 0.00 0.00 174.62 172.52 2occ n PRO 50 N 6.17 1.73 -4.90 4.92 -0.02 -1.26 -4.98 135.00 136.66 2occ n PRO 50 Ca -0.02 0.63 -0.33 0.00 -2.02 0.00 0.00 63.50 61.76 2occ n PRO 50 Cb 0.48 -2.36 -0.15 0.00 -0.02 0.00 0.00 33.50 31.45 2occ n PRO 50 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2occ s LYS 51 N 1.59 3.24 0.08 -0.52 2.20 -1.26 -5.09 119.74 119.98 2occ s LYS 51 Ca 0.85 -0.74 -0.37 0.00 -0.36 0.00 0.00 55.97 55.35 2occ s LYS 51 Cb -0.81 -2.53 -0.17 0.00 -1.51 0.00 0.00 37.83 32.81 2occ s LYS 51 CO 0.46 0.23 1.27 -1.91 -0.36 0.00 0.00 175.35 175.05 2occ n GLU 52 N 3.44 0.94 -0.00 4.03 4.07 -1.26 -4.91 120.64 126.94 2occ n GLU 52 Ca -0.18 0.34 0.10 0.00 -0.06 0.00 0.00 57.16 57.35 2occ n GLU 52 Cb 0.53 -1.94 -0.13 0.00 -0.06 0.00 0.00 31.44 29.84 2occ n GLU 52 CO 0.00 0.00 0.00 -2.67 -0.06 0.00 0.00 177.13 174.40 2occ n TRP 53 N 2.24 0.00 0.00 4.31 4.27 -1.26 -5.33 117.44 121.67 2occ n TRP 53 Ca 0.18 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.79 2occ n TRP 53 Cb 0.18 -0.21 0.00 0.00 -1.36 0.00 0.00 31.31 29.92 2occ n TRP 53 CO 0.00 0.00 0.00 -2.13 -2.29 0.00 0.00 177.69 173.27