#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2occ n HIS 2 N 0.00 0.71 -2.61 7.33 -0.00 -1.26 -4.92 115.22 114.47 2occ n HIS 2 Ca 0.00 0.22 -0.33 0.00 -0.00 0.00 0.00 57.72 57.61 2occ n HIS 2 Cb 0.00 -0.92 -0.05 0.00 -0.00 0.00 0.00 29.99 29.03 2occ n HIS 2 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 2occ s TYR 3 N -3.18 3.22 0.62 1.57 2.02 -1.26 -5.04 117.35 115.31 2occ s TYR 3 Ca -0.04 1.57 -0.17 0.00 -0.37 0.00 0.00 57.07 58.06 2occ s TYR 3 Cb 0.10 -2.91 -0.02 0.00 -0.40 0.00 0.00 41.96 38.73 2occ s TYR 3 CO 0.82 -0.44 1.14 -1.21 -1.57 0.00 0.00 175.55 174.30 2occ s GLU 4 N -3.42 2.93 0.17 -0.62 0.41 -1.26 -5.06 118.70 111.85 2occ s GLU 4 Ca 0.63 1.55 0.02 0.00 -0.41 0.00 0.00 54.97 56.76 2occ s GLU 4 Cb -0.12 -1.95 -0.05 0.00 -1.78 0.00 0.00 34.13 30.23 2occ s GLU 4 CO 0.20 -1.18 0.00 -1.21 -0.49 0.00 0.00 175.26 172.59 2occ s GLU 5 N -3.72 1.08 0.00 1.61 2.02 -1.26 -4.64 118.70 113.79 2occ s GLU 5 Ca 0.71 -1.52 0.00 0.00 0.02 0.00 0.00 54.97 54.18 2occ s GLU 5 Cb -0.24 -0.22 0.00 0.00 0.10 0.00 0.00 34.13 33.78 2occ s GLU 5 CO 0.36 -0.14 0.00 0.41 0.02 0.00 0.00 175.26 175.91 2occ n GLY 6 N -0.22 1.26 3.64 -1.39 0.00 -1.26 -4.77 105.19 102.45 2occ n GLY 6 Ca -0.07 -2.01 -0.57 0.00 0.00 0.00 0.00 46.02 43.38 2occ n GLY 6 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2occ n PRO 7 N 1.80 0.88 -0.99 1.61 -0.02 -1.26 -1.64 135.00 135.38 2occ n PRO 7 Ca 0.00 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 2occ n PRO 7 Cb 0.00 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 2occ n PRO 7 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2occ n GLY 8 N 3.13 0.55 0.00 -1.23 0.00 -1.26 -4.86 105.19 101.53 2occ n GLY 8 Ca 0.23 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.26 2occ n GLY 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2occ n LYS 9 N -2.59 5.60 -1.24 1.61 4.76 -0.65 -4.62 118.16 121.03 2occ n LYS 9 Ca 0.00 -0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.18 2occ n LYS 9 Cb 0.03 -0.66 0.15 0.00 -1.84 0.00 0.00 35.03 32.71 2occ n LYS 9 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 2occ n ASN 10 N -1.11 4.73 -4.10 4.39 6.94 -1.25 -4.69 115.26 120.18 2occ n ASN 10 Ca 0.00 -3.67 -0.17 0.00 -0.02 0.00 0.00 54.58 50.72 2occ n ASN 10 Cb 0.04 -0.86 -0.12 0.00 -2.36 0.00 0.00 39.78 36.48 2occ n ASN 10 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 2occ s ILE 11 N -3.72 0.85 -1.77 1.53 -4.36 -1.26 -5.03 121.20 107.43 2occ s ILE 11 Ca 0.58 -1.02 0.20 0.00 -0.26 0.00 0.00 60.65 60.15 2occ s ILE 11 Cb 0.48 -0.82 0.47 0.00 1.25 0.00 0.00 42.46 43.84 2occ s ILE 11 CO 0.07 -0.17 1.58 -0.81 0.24 0.00 0.00 174.94 175.86 2occ n PRO 12 N 1.71 0.48 -4.40 0.37 -0.04 -1.26 -4.73 135.00 127.13 2occ n PRO 12 Ca -0.20 0.04 -0.25 0.00 -0.04 0.00 0.00 63.50 63.06 2occ n PRO 12 Cb 0.55 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.38 2occ n PRO 12 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2occ s PHE 13 N -2.23 1.82 0.22 0.54 -0.71 -1.26 -5.12 117.98 111.24 2occ s PHE 13 Ca 0.25 -0.40 -0.30 0.00 -1.04 0.00 0.00 56.93 55.44 2occ s PHE 13 Cb 0.13 -1.03 -0.09 0.00 -1.21 0.00 0.00 43.02 40.83 2occ s PHE 13 CO 0.25 0.18 0.93 0.45 -1.34 0.00 0.00 175.22 175.69 2occ s SER 14 N -1.69 7.61 -0.11 1.98 0.15 -1.26 -4.96 113.70 115.41 2occ s SER 14 Ca 0.07 1.91 0.16 0.00 0.70 0.00 0.00 55.95 58.79 2occ s SER 14 Cb -0.10 -2.60 0.26 0.00 -1.71 0.00 0.00 66.02 61.87 2occ s SER 14 CO 0.04 0.14 1.13 0.55 1.20 0.00 0.00 173.24 176.30 2occ n VAL 15 N 1.63 1.63 1.95 4.45 3.14 -1.26 -4.69 118.33 125.18 2occ n VAL 15 Ca -0.02 -1.98 0.07 0.00 -2.96 0.00 0.00 64.34 59.45 2occ n VAL 15 Cb 0.47 -0.13 0.42 0.00 -1.06 0.00 0.00 33.84 33.54 2occ n VAL 15 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2occ n GLU 16 N -1.21 1.04 -3.19 1.45 -0.58 -1.26 -4.49 120.64 112.39 2occ n GLU 16 Ca 0.14 -0.06 0.01 0.00 -0.42 0.00 0.00 57.16 56.83 2occ n GLU 16 Cb 0.65 -1.23 -0.02 0.00 -0.57 0.00 0.00 31.44 30.27 2occ n GLU 16 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 2occ s ASN 17 N -1.44 -1.05 0.55 1.62 3.84 -1.26 -5.03 114.94 112.16 2occ s ASN 17 Ca 0.22 0.48 0.29 0.00 0.21 0.00 0.00 52.86 54.05 2occ s ASN 17 Cb 0.10 1.88 1.46 0.00 -0.55 0.00 0.00 41.25 44.14 2occ s ASN 17 CO 0.17 -0.29 1.93 0.07 -2.79 0.00 0.00 177.10 176.20 2occ h LYS 18 N 8.04 0.00 0.08 0.43 2.10 -1.96 -1.35 116.57 123.91 2occ h LYS 18 Ca -0.15 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.23 2occ h LYS 18 Cb 1.16 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.51 2occ h LYS 18 CO 0.23 0.00 -1.14 -1.49 -2.00 0.00 0.00 179.45 175.06 2occ h TRP 19 N 0.00 0.76 -0.12 0.07 4.06 -1.97 0.61 115.95 119.36 2occ h TRP 19 Ca 0.29 -0.47 -0.17 0.00 2.06 0.00 0.00 58.89 60.59 2occ h TRP 19 Cb 1.26 -0.06 -0.00 0.00 -1.00 0.00 0.00 29.16 29.35 2occ h TRP 19 CO 0.00 1.32 -0.66 -0.09 -3.56 0.00 0.00 178.44 175.45 2occ h ARG 20 N 0.22 0.46 -0.23 0.49 2.43 -1.81 -2.25 114.38 113.70 2occ h ARG 20 Ca -0.14 -0.34 -0.01 0.00 -0.81 0.00 0.00 59.98 58.69 2occ h ARG 20 Cb 1.81 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 31.40 2occ h ARG 20 CO 0.20 0.96 0.11 1.25 -1.51 0.00 0.00 179.97 180.99 2occ h LEU 21 N 0.33 0.30 -0.67 3.80 5.85 -1.24 0.61 115.31 124.29 2occ h LEU 21 Ca -0.02 -0.12 0.11 0.00 0.84 0.00 0.00 57.88 58.69 2occ h LEU 21 Cb 1.22 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 42.09 2occ h LEU 21 CO 0.12 0.33 0.26 0.25 -0.34 0.00 0.00 178.44 179.06 2occ h LEU 22 N 0.24 0.26 -0.16 2.25 6.46 -0.65 0.33 115.31 124.04 2occ h LEU 22 Ca 0.08 0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.92 2occ h LEU 22 Cb 0.12 0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.10 2occ h LEU 22 CO -0.01 0.13 0.06 0.00 -0.62 0.00 0.00 178.44 178.00 2occ h ALA 23 N 1.47 0.20 -0.66 1.25 0.00 -0.80 0.30 119.26 121.02 2occ h ALA 23 Ca 0.35 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 2occ h ALA 23 Cb 0.47 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2occ h ALA 23 CO -0.34 -0.21 0.30 0.52 0.00 0.00 0.00 179.25 179.52 2occ h MET 24 N 0.10 0.97 -0.27 0.00 2.86 0.07 -1.36 114.93 117.29 2occ h MET 24 Ca 0.05 -0.16 -0.08 0.00 -2.06 0.00 0.00 59.70 57.46 2occ h MET 24 Cb 0.17 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2occ h MET 24 CO -0.00 0.78 -0.16 0.52 1.06 0.00 0.00 176.91 179.11 2occ h MET 25 N 0.92 0.46 -0.29 1.72 2.07 -0.23 -0.67 114.93 118.91 2occ h MET 25 Ca 0.22 -0.14 -0.03 0.00 -2.07 0.00 0.00 59.70 57.68 2occ h MET 25 Cb 0.15 -0.05 -0.01 0.00 -1.87 0.00 0.00 31.60 29.83 2occ h MET 25 CO -0.02 0.61 0.05 1.15 1.07 0.00 0.00 176.91 179.77 2occ h THR 26 N 0.42 1.23 -0.28 2.22 2.02 -0.36 -2.10 112.91 116.06 2occ h THR 26 Ca 0.08 -0.79 -0.06 0.00 0.77 0.00 0.00 66.41 66.40 2occ h THR 26 Cb 0.53 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 2occ h THR 26 CO 0.03 0.26 -0.06 -0.07 0.37 0.00 0.00 175.52 176.06 2occ h LEU 27 N 0.31 0.53 0.06 2.58 4.07 -1.01 -0.24 115.31 121.60 2occ h LEU 27 Ca 0.09 -0.36 -0.00 0.00 0.08 0.00 0.00 57.88 57.69 2occ h LEU 27 Cb 0.34 -0.15 -0.00 0.00 1.08 0.00 0.00 40.66 41.93 2occ h LEU 27 CO 0.01 0.76 -0.05 0.15 -1.08 0.00 0.00 178.44 178.23 2occ h PHE 28 N 0.29 -0.13 -0.28 1.13 3.57 -1.03 0.79 116.94 121.27 2occ h PHE 28 Ca 0.07 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.48 2occ h PHE 28 Cb 0.52 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 2occ h PHE 28 CO 0.05 -0.07 -0.19 0.74 -2.23 0.00 0.00 178.31 176.61 2occ h PHE 29 N -0.10 0.57 -0.18 0.41 0.04 -1.51 -2.82 116.94 113.34 2occ h PHE 29 Ca -0.01 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.66 2occ h PHE 29 Cb 0.09 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.08 2occ h PHE 29 CO -0.02 0.68 0.12 0.78 -0.60 0.00 0.00 178.31 179.27 2occ h GLY 30 N 0.98 0.25 1.16 -1.45 0.00 -1.04 -1.36 103.07 101.61 2occ h GLY 30 Ca 0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 2occ h GLY 30 CO 0.04 0.09 0.45 1.48 0.00 0.00 0.00 176.54 178.61 2occ h SER 31 N 0.24 0.98 -0.64 0.19 4.64 -0.73 0.11 113.55 118.33 2occ h SER 31 Ca 0.07 -0.07 -0.07 0.00 -0.47 0.00 0.00 61.79 61.24 2occ h SER 31 Cb -0.02 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 61.80 2occ h SER 31 CO -0.01 0.78 0.14 1.23 -0.87 0.00 0.00 176.83 178.09 2occ h GLY 32 N 1.14 1.12 1.69 -0.77 0.00 -1.21 -1.76 103.07 103.29 2occ h GLY 32 Ca 0.28 -0.72 -0.14 0.00 0.00 0.00 0.00 47.33 46.75 2occ h GLY 32 CO -0.05 0.67 -0.56 -2.75 0.00 0.00 0.00 176.54 173.85 2occ h PHE 33 N 0.96 0.41 -0.13 5.60 3.57 -0.79 -3.25 116.94 123.32 2occ h PHE 33 Ca 0.20 -0.15 -0.18 0.00 3.53 0.00 0.00 57.97 61.37 2occ h PHE 33 Cb 0.39 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 2occ h PHE 33 CO 0.03 0.81 -0.67 0.00 -2.23 0.00 0.00 178.31 176.25 2occ h ALA 34 N 1.16 0.59 -0.66 2.41 0.00 -0.66 -3.38 119.26 118.73 2occ h ALA 34 Ca 0.00 -0.57 0.09 0.00 0.00 0.00 0.00 54.91 54.44 2occ h ALA 34 Cb 1.06 -0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.67 2occ h ALA 34 CO 0.09 0.72 -0.45 0.00 0.00 0.00 0.00 179.25 179.62 2occ h ALA 35 N 0.89 -0.30 -0.94 0.00 0.00 -1.36 -2.05 119.26 115.51 2occ h ALA 35 Ca -0.02 0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.12 2occ h ALA 35 Cb 1.24 1.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.96 2occ h ALA 35 CO 0.12 -0.82 0.60 -1.35 0.00 0.00 0.00 179.25 177.80 2occ h PRO 36 N -0.18 0.91 -0.50 0.00 0.11 -1.78 -0.92 132.00 129.64 2occ h PRO 36 Ca 0.19 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.21 2occ h PRO 36 Cb 0.55 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.43 2occ h PRO 36 CO -0.74 0.60 0.13 0.74 -0.21 0.00 0.00 178.00 178.52 2occ h PHE 37 N 0.94 0.77 0.00 0.65 0.04 -1.61 -0.74 116.94 116.98 2occ h PHE 37 Ca 0.44 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 61.15 2occ h PHE 37 Cb 0.43 -0.23 -0.00 0.00 2.20 0.00 0.00 35.95 38.35 2occ h PHE 37 CO -0.00 0.64 -0.03 0.74 -0.60 0.00 0.00 178.31 179.06 2occ h PHE 38 N 0.73 0.00 0.09 -0.55 0.04 -0.84 -2.15 116.94 114.26 2occ h PHE 38 Ca 0.17 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.67 2occ h PHE 38 Cb 0.25 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.43 2occ h PHE 38 CO 0.01 0.03 -1.10 0.82 -0.60 0.00 0.00 178.31 177.47 2occ h ILE 39 N 0.00 1.32 -0.75 -0.55 2.04 -0.49 -1.37 117.51 117.71 2occ h ILE 39 Ca -0.00 -2.38 -0.02 0.00 1.00 0.00 0.00 64.86 63.46 2occ h ILE 39 Cb 0.99 2.69 -0.04 0.00 -0.74 0.00 0.00 36.82 39.72 2occ h ILE 39 CO 0.00 0.72 0.39 0.58 0.00 0.00 0.00 178.15 179.84 2occ h VAL 40 N 0.18 1.23 -0.21 1.67 2.07 -1.14 -0.34 116.25 119.72 2occ h VAL 40 Ca -0.16 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 2occ h VAL 40 Cb 1.78 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 2occ h VAL 40 CO 0.21 0.26 0.00 -0.09 0.02 0.00 0.00 177.57 177.97 2occ h ARG 41 N 1.05 0.36 -0.53 1.57 2.43 -1.35 -1.71 114.38 116.20 2occ h ARG 41 Ca 0.26 -0.12 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 2occ h ARG 41 Cb 0.06 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 2occ h ARG 41 CO -0.04 0.56 0.32 1.25 -1.51 0.00 0.00 179.97 180.55 2occ h HIS 42 N 0.12 0.69 -0.09 2.20 2.76 -0.78 -1.08 115.15 118.98 2occ h HIS 42 Ca 0.06 0.01 -0.16 0.00 -2.20 0.00 0.00 60.37 58.07 2occ h HIS 42 Cb 0.39 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.12 2occ h HIS 42 CO 0.03 0.46 -0.64 1.96 -1.30 0.00 0.00 177.93 178.44 2occ h GLN 43 N 0.73 0.34 -0.06 5.26 1.08 -0.88 -3.12 115.11 118.45 2occ h GLN 43 Ca 0.19 -0.25 -0.12 0.00 -1.45 0.00 0.00 58.65 57.03 2occ h GLN 43 Cb -0.03 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 2occ h GLN 43 CO -0.04 0.87 -0.50 -0.07 -0.95 0.00 0.00 178.83 178.14 2occ h LEU 44 N 0.25 0.18 -1.72 1.46 4.07 -0.51 -3.24 115.31 115.80 2occ h LEU 44 Ca -0.01 -0.09 0.00 0.00 0.08 0.00 0.00 57.88 57.86 2occ h LEU 44 Cb 1.18 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.86 2occ h LEU 44 CO 0.11 0.65 0.00 0.18 -1.08 0.00 0.00 178.44 178.30 2occ n LEU 45 N -3.95 2.43 -0.08 1.67 4.77 -0.48 -3.86 117.00 117.48 2occ n LEU 45 Ca -0.02 -1.23 -0.10 0.00 -0.03 0.00 0.00 56.01 54.64 2occ n LEU 45 Cb 0.53 -0.49 -0.11 0.00 -2.33 0.00 0.00 43.42 41.02 2occ n LEU 45 CO 0.42 0.38 -1.06 0.29 -1.33 0.00 0.00 177.39 176.09 2occ n LYS 46 N 0.23 1.14 0.00 3.23 5.02 -1.22 -5.05 118.16 121.51 2occ n LYS 46 Ca 0.10 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 2occ n LYS 46 Cb 0.51 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 2occ n LYS 46 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05