#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 0.68 -2.69 7.33 -0.00 -1.26 -4.92 115.22 114.36 2occ n HIS 2 Ca 0.00 0.21 -0.33 0.00 -0.00 0.00 0.00 57.72 57.60 2occ n HIS 2 Cb 0.00 -0.88 -0.06 0.00 -0.00 0.00 0.00 29.99 29.06 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 -3.25 3.26 0.61 1.57 2.02 -1.26 -5.04 117.35 115.27 2occ s TYR 3 Ca -0.04 1.58 -0.17 0.00 -0.37 0.00 0.00 57.07 58.08 2occ s TYR 3 Cb 0.10 -2.89 -0.02 0.00 -0.40 0.00 0.00 41.96 38.75 2occ s TYR 3 CO 0.83 -0.31 1.14 -1.21 -1.57 0.00 0.00 175.55 174.43 2occ s GLU 4 N -3.34 2.97 0.15 -0.62 0.41 -1.26 -5.06 118.70 111.96 2occ s GLU 4 Ca 0.63 1.56 0.02 0.00 -0.41 0.00 0.00 54.97 56.77 2occ s GLU 4 Cb -0.11 -1.96 -0.05 0.00 -1.78 0.00 0.00 34.13 30.24 2occ s GLU 4 CO 0.17 -1.14 -0.03 -1.21 -0.49 0.00 0.00 175.26 172.56 2occ s GLU 5 N -3.68 1.04 0.00 1.61 2.02 -1.26 -4.65 118.70 113.78 2occ s GLU 5 Ca 0.71 -1.48 0.00 0.00 0.02 0.00 0.00 54.97 54.22 2occ s GLU 5 Cb -0.24 -0.33 0.00 0.00 0.10 0.00 0.00 34.13 33.66 2occ s GLU 5 CO 0.35 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 175.98 2occ n GLY 6 N -0.19 1.25 3.62 -1.39 0.00 -1.26 -4.78 105.19 102.44 2occ n GLY 6 Ca -0.08 -2.02 -0.58 0.00 0.00 0.00 0.00 46.02 43.34 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 1.69 0.70 -1.00 1.61 -0.02 -1.26 -1.40 135.00 135.32 2occ n PRO 7 Ca 0.00 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 2occ n PRO 7 Cb 0.00 -1.85 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 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 2.93 0.44 0.00 -1.23 0.00 -1.26 -4.86 105.19 101.22 2occ n GLY 8 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.43 5.77 -1.23 1.61 4.76 -0.49 -4.63 118.16 121.52 2occ n LYS 9 Ca 0.00 -0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 55.17 2occ n LYS 9 Cb 0.07 -0.61 0.14 0.00 -1.84 0.00 0.00 35.03 32.79 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 -1.09 4.98 -4.08 4.39 6.94 -1.25 -4.71 115.26 120.44 2occ n ASN 10 Ca 0.00 -3.62 -0.16 0.00 -0.02 0.00 0.00 54.58 50.79 2occ n ASN 10 Cb 0.02 -0.88 -0.12 0.00 -2.36 0.00 0.00 39.78 36.43 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 -3.67 0.72 -1.74 1.53 -4.36 -1.26 -5.04 121.20 107.38 2occ s ILE 11 Ca 0.58 -1.00 0.21 0.00 -0.26 0.00 0.00 60.65 60.17 2occ s ILE 11 Cb 0.47 -0.73 0.49 0.00 1.25 0.00 0.00 42.46 43.94 2occ s ILE 11 CO 0.07 -0.23 1.63 -0.81 0.24 0.00 0.00 174.94 175.85 2occ n PRO 12 N 1.69 0.49 -4.37 0.37 -0.04 -1.26 -4.75 135.00 127.13 2occ n PRO 12 Ca -0.20 0.04 -0.25 0.00 -0.04 0.00 0.00 63.50 63.05 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 -2.26 1.92 0.23 0.54 -0.71 -1.26 -5.12 117.98 111.32 2occ s PHE 13 Ca 0.26 -0.40 -0.30 0.00 -1.04 0.00 0.00 56.93 55.45 2occ s PHE 13 Cb 0.14 -1.07 -0.09 0.00 -1.21 0.00 0.00 43.02 40.80 2occ s PHE 13 CO 0.27 0.22 0.92 0.45 -1.34 0.00 0.00 175.22 175.74 2occ s SER 14 N -1.83 7.62 -0.11 1.98 0.15 -1.26 -4.96 113.70 115.29 2occ s SER 14 Ca 0.08 1.91 0.16 0.00 0.70 0.00 0.00 55.95 58.80 2occ s SER 14 Cb -0.10 -2.60 0.24 0.00 -1.71 0.00 0.00 66.02 61.85 2occ s SER 14 CO 0.04 0.15 1.12 0.55 1.20 0.00 0.00 173.24 176.31 2occ n VAL 15 N 1.56 1.61 1.97 4.45 3.14 -1.26 -4.70 118.33 125.10 2occ n VAL 15 Ca -0.02 -1.92 0.09 0.00 -2.96 0.00 0.00 64.34 59.53 2occ n VAL 15 Cb 0.47 -0.10 0.55 0.00 -1.06 0.00 0.00 33.84 33.70 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 0.99 -3.23 1.45 -0.58 -1.26 -4.48 120.64 112.32 2occ n GLU 16 Ca 0.13 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.85 2occ n GLU 16 Cb 0.63 -1.29 -0.04 0.00 -0.57 0.00 0.00 31.44 30.17 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 -1.59 -0.67 0.55 1.62 3.84 -1.26 -5.04 114.94 112.38 2occ s ASN 17 Ca 0.28 0.33 0.29 0.00 0.21 0.00 0.00 52.86 53.97 2occ s ASN 17 Cb 0.13 1.66 1.46 0.00 -0.55 0.00 0.00 41.25 43.95 2occ s ASN 17 CO 0.21 -0.30 1.93 0.07 -2.79 0.00 0.00 177.10 176.23 2occ h LYS 18 N 8.08 0.00 0.08 0.43 2.10 -1.96 -1.58 116.57 123.71 2occ h LYS 18 Ca -0.15 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.24 2occ h LYS 18 Cb 1.16 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.50 2occ h LYS 18 CO 0.24 0.00 -1.13 -1.49 -2.00 0.00 0.00 179.45 175.07 2occ h TRP 19 N 0.00 0.73 -0.04 0.07 4.06 -1.97 0.12 115.95 118.93 2occ h TRP 19 Ca 0.32 -0.45 -0.16 0.00 2.06 0.00 0.00 58.89 60.65 2occ h TRP 19 Cb 1.36 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 29.45 2occ h TRP 19 CO 0.00 1.31 -0.71 -0.09 -3.56 0.00 0.00 178.44 175.39 2occ h ARG 20 N 0.21 0.22 -0.35 0.49 2.43 -1.84 -2.46 114.38 113.08 2occ h ARG 20 Ca -0.13 -0.18 -0.05 0.00 -0.81 0.00 0.00 59.98 58.81 2occ h ARG 20 Cb 1.80 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 31.38 2occ h ARG 20 CO 0.20 0.83 0.01 1.25 -1.51 0.00 0.00 179.97 180.76 2occ h LEU 21 N 0.15 0.59 -0.51 3.80 5.85 -1.26 -0.66 115.31 123.27 2occ h LEU 21 Ca -0.02 -0.30 0.09 0.00 0.84 0.00 0.00 57.88 58.49 2occ h LEU 21 Cb 1.26 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 42.05 2occ h LEU 21 CO 0.11 0.74 0.09 0.25 -0.34 0.00 0.00 178.44 179.29 2occ h LEU 22 N 0.42 -0.03 -0.38 2.25 6.46 -0.77 0.26 115.31 123.53 2occ h LEU 22 Ca 0.10 0.10 -0.02 0.00 -0.12 0.00 0.00 57.88 57.94 2occ h LEU 22 Cb 0.43 0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.49 2occ h LEU 22 CO 0.02 0.01 0.17 0.00 -0.62 0.00 0.00 178.44 178.01 2occ h ALA 23 N 1.41 0.50 -0.65 1.25 0.00 -1.12 -0.10 119.26 120.54 2occ h ALA 23 Ca 0.26 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 2occ h ALA 23 Cb 0.36 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2occ h ALA 23 CO -0.35 0.08 0.06 0.52 0.00 0.00 0.00 179.25 179.56 2occ h MET 24 N 0.47 1.11 -0.22 0.00 2.86 -0.23 -2.07 114.93 116.86 2occ h MET 24 Ca 0.13 -0.32 -0.09 0.00 -2.06 0.00 0.00 59.70 57.36 2occ h MET 24 Cb 0.16 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2occ h MET 24 CO -0.01 1.04 -0.26 0.52 1.06 0.00 0.00 176.91 179.26 2occ h MET 25 N 1.02 0.41 -0.22 1.72 2.07 -0.30 -1.30 114.93 118.34 2occ h MET 25 Ca 0.19 -0.15 -0.02 0.00 -2.07 0.00 0.00 59.70 57.65 2occ h MET 25 Cb 0.50 -0.03 -0.01 0.00 -1.87 0.00 0.00 31.60 30.20 2occ h MET 25 CO 0.02 0.64 0.04 1.15 1.07 0.00 0.00 176.91 179.83 2occ h THR 26 N 0.36 1.22 -0.38 2.22 2.02 -0.75 -2.21 112.91 115.40 2occ h THR 26 Ca 0.05 -0.73 -0.06 0.00 0.77 0.00 0.00 66.41 66.44 2occ h THR 26 Cb 0.65 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 2occ h THR 26 CO 0.05 0.23 -0.01 -0.07 0.37 0.00 0.00 175.52 176.09 2occ h LEU 27 N 0.16 0.67 0.07 2.58 4.07 -1.23 0.03 115.31 121.65 2occ h LEU 27 Ca 0.07 -0.31 -0.00 0.00 0.08 0.00 0.00 57.88 57.71 2occ h LEU 27 Cb 0.31 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 41.87 2occ h LEU 27 CO 0.00 0.82 -0.04 0.15 -1.08 0.00 0.00 178.44 178.30 2occ h PHE 28 N 0.50 -0.10 -0.29 1.13 3.57 -1.17 0.72 116.94 121.29 2occ h PHE 28 Ca 0.11 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.52 2occ h PHE 28 Cb 0.48 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 2occ h PHE 28 CO 0.04 -0.06 -0.17 0.74 -2.23 0.00 0.00 178.31 176.64 2occ h PHE 29 N -0.09 0.57 -0.24 0.41 0.04 -1.53 -2.82 116.94 113.28 2occ h PHE 29 Ca -0.01 -0.10 -0.01 0.00 2.80 0.00 0.00 57.97 60.66 2occ h PHE 29 Cb 0.07 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.07 2occ h PHE 29 CO 0.14 0.66 0.13 0.78 -0.60 0.00 0.00 178.31 179.42 2occ h GLY 30 N 0.96 0.36 1.35 -1.45 0.00 -1.01 -1.62 103.07 101.66 2occ h GLY 30 Ca 0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.23 2occ h GLY 30 CO 0.04 0.16 0.30 1.48 0.00 0.00 0.00 176.54 178.51 2occ h SER 31 N 0.27 0.76 -0.59 0.19 4.64 -0.73 -1.06 113.55 117.04 2occ h SER 31 Ca 0.08 -0.07 -0.10 0.00 -0.47 0.00 0.00 61.79 61.23 2occ h SER 31 Cb 0.07 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 61.95 2occ h SER 31 CO -0.01 0.64 -0.02 1.23 -0.87 0.00 0.00 176.83 177.80 2occ h GLY 32 N 0.94 1.15 1.88 -0.77 0.00 -1.20 -2.02 103.07 103.05 2occ h GLY 32 Ca 0.21 -0.87 -0.15 0.00 0.00 0.00 0.00 47.33 46.53 2occ h GLY 32 CO -0.03 0.80 -0.66 -2.75 0.00 0.00 0.00 176.54 173.90 2occ h PHE 33 N 0.96 0.16 -0.03 5.60 3.57 -0.99 -3.26 116.94 122.95 2occ h PHE 33 Ca 0.17 -0.07 -0.19 0.00 3.53 0.00 0.00 57.97 61.41 2occ h PHE 33 Cb 0.59 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 2occ h PHE 33 CO 0.04 0.74 -0.82 0.00 -2.23 0.00 0.00 178.31 176.05 2occ h ALA 34 N 1.24 0.55 -0.57 2.41 0.00 -0.95 -3.38 119.26 118.56 2occ h ALA 34 Ca -0.01 -0.67 0.09 0.00 0.00 0.00 0.00 54.91 54.32 2occ h ALA 34 Cb 1.18 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.80 2occ h ALA 34 CO 0.09 0.83 -0.43 0.00 0.00 0.00 0.00 179.25 179.74 2occ h ALA 35 N 0.95 -0.33 -0.96 0.00 0.00 -1.41 -2.22 119.26 115.28 2occ h ALA 35 Ca -0.04 0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.08 2occ h ALA 35 Cb 1.42 0.95 -0.08 0.00 0.00 0.00 0.00 17.79 20.08 2occ h ALA 35 CO 0.13 -0.83 0.60 -1.35 0.00 0.00 0.00 179.25 177.80 2occ h PRO 36 N -0.23 0.94 -0.49 0.00 0.11 -1.78 -0.60 132.00 129.94 2occ h PRO 36 Ca 0.18 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.21 2occ h PRO 36 Cb 0.56 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.44 2occ h PRO 36 CO -0.68 0.62 0.23 0.74 -0.21 0.00 0.00 178.00 178.71 2occ h PHE 37 N 0.97 0.68 0.00 0.65 0.04 -1.64 -0.59 116.94 117.04 2occ h PHE 37 Ca 0.47 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 61.21 2occ h PHE 37 Cb 0.42 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 38.35 2occ h PHE 37 CO -0.02 0.51 -0.14 0.74 -0.60 0.00 0.00 178.31 178.79 2occ h PHE 38 N 0.69 0.00 0.02 -0.55 0.04 -0.82 -2.28 116.94 114.04 2occ h PHE 38 Ca 0.17 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.70 2occ h PHE 38 Cb 0.08 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.25 2occ h PHE 38 CO 0.01 0.04 -0.95 0.82 -0.60 0.00 0.00 178.31 177.63 2occ h ILE 39 N 0.00 1.32 -0.82 -0.55 2.04 0.12 -1.93 117.51 117.69 2occ h ILE 39 Ca -0.00 -2.24 -0.03 0.00 1.00 0.00 0.00 64.86 63.59 2occ h ILE 39 Cb 1.03 2.51 -0.04 0.00 -0.74 0.00 0.00 36.82 39.59 2occ h ILE 39 CO 0.01 0.68 0.40 0.58 0.00 0.00 0.00 178.15 179.81 2occ h VAL 40 N 0.22 1.25 -0.42 1.67 2.07 -1.16 -0.75 116.25 119.13 2occ h VAL 40 Ca -0.13 -0.71 -0.05 0.00 0.82 0.00 0.00 66.70 66.64 2occ h VAL 40 Cb 1.63 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 2occ h VAL 40 CO 0.19 0.31 0.08 -0.09 0.02 0.00 0.00 177.57 178.07 2occ h ARG 41 N 1.17 0.69 -0.49 1.57 2.43 -1.39 -1.66 114.38 116.71 2occ h ARG 41 Ca 0.28 -0.18 -0.04 0.00 -0.81 0.00 0.00 59.98 59.24 2occ h ARG 41 Cb 0.11 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 2occ h ARG 41 CO -0.04 0.72 0.15 1.25 -1.51 0.00 0.00 179.97 180.55 2occ h HIS 42 N 0.55 0.73 -0.10 2.20 2.76 -0.86 -1.23 115.15 119.21 2occ h HIS 42 Ca 0.13 -0.05 -0.16 0.00 -2.20 0.00 0.00 60.37 58.10 2occ h HIS 42 Cb 0.36 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.09 2occ h HIS 42 CO 0.02 0.60 -0.61 1.96 -1.30 0.00 0.00 177.93 178.60 2occ h GLN 43 N 0.71 0.34 -0.02 5.26 1.08 -0.86 -3.05 115.11 118.57 2occ h GLN 43 Ca 0.16 -0.24 -0.12 0.00 -1.45 0.00 0.00 58.65 57.01 2occ h GLN 43 Cb 0.21 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.66 2occ h GLN 43 CO -0.01 0.85 -0.55 -0.07 -0.95 0.00 0.00 178.83 178.09 2occ h LEU 44 N 0.25 0.05 -1.28 1.46 4.07 -0.84 -3.25 115.31 115.78 2occ h LEU 44 Ca -0.01 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.92 2occ h LEU 44 Cb 1.14 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.86 2occ h LEU 44 CO 0.10 0.60 0.00 0.18 -1.08 0.00 0.00 178.44 178.24 2occ n LEU 45 N -3.89 1.78 -0.09 1.67 4.77 -0.51 -3.93 117.00 116.82 2occ n LEU 45 Ca -0.01 -0.90 -0.10 0.00 -0.03 0.00 0.00 56.01 54.97 2occ n LEU 45 Cb 0.56 -0.35 -0.12 0.00 -2.33 0.00 0.00 43.42 41.19 2occ n LEU 45 CO 0.42 0.33 -1.06 0.29 -1.33 0.00 0.00 177.39 176.03 2occ n LYS 46 N 0.16 1.13 0.00 3.23 5.02 -1.22 -5.06 118.16 121.43 2occ n LYS 46 Ca 0.08 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 2occ n LYS 46 Cb 0.36 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 2occ n LYS 46 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05