#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abm n PRO 7 N 0.00 2.00 -1.13 0.00 -0.02 -1.26 -5.02 135.00 129.57 3abm n PRO 7 Ca 0.00 0.70 -0.05 0.00 -2.02 0.00 0.00 63.50 62.13 3abm n PRO 7 Cb 0.00 -2.26 0.02 0.00 -0.02 0.00 0.00 33.50 31.24 3abm n PRO 7 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3abm n ASP 8 N 1.02 0.34 -0.28 2.55 3.85 -1.26 -4.85 116.55 117.91 3abm n ASP 8 Ca 0.06 -1.27 0.09 0.00 -0.71 0.00 0.00 54.79 52.96 3abm n ASP 8 Cb 0.35 -0.14 0.25 0.00 -1.35 0.00 0.00 41.12 40.23 3abm n ASP 8 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.20 176.34 3abm h PHE 9 N -0.35 0.56 -0.01 2.11 3.57 -1.99 -0.58 116.94 120.26 3abm h PHE 9 Ca -0.07 0.04 -0.22 0.00 3.53 0.00 0.00 57.97 61.25 3abm h PHE 9 Cb 0.28 -0.12 0.02 0.00 2.79 0.00 0.00 35.95 38.91 3abm h PHE 9 CO 0.00 0.00 -0.84 0.45 -2.23 0.00 0.00 178.31 175.69 3abm h HIS 10 N 0.42 0.86 -0.66 0.41 3.86 -1.94 0.69 115.15 118.79 3abm h HIS 10 Ca 0.49 -0.46 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 3abm h HIS 10 Cb 0.84 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 29.18 3abm h HIS 10 CO -0.16 1.29 0.37 -0.44 0.86 0.00 0.00 177.93 179.85 3abm h ASP 11 N 0.18 0.82 -0.06 2.45 3.32 -1.85 0.17 116.42 121.45 3abm h ASP 11 Ca -0.10 -0.08 -0.24 0.00 0.02 0.00 0.00 57.03 56.62 3abm h ASP 11 Cb 1.52 -0.21 0.02 0.00 0.22 0.00 0.00 39.33 40.88 3abm h ASP 11 CO 0.17 0.66 -0.90 0.11 -1.72 0.00 0.00 179.24 177.56 3abm h LYS 12 N 0.90 0.73 0.00 3.56 1.57 -0.56 -3.41 116.57 119.36 3abm h LYS 12 Ca 0.23 -0.70 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3abm h LYS 12 Cb 0.02 0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3abm h LYS 12 CO -0.04 1.29 -0.17 0.66 -0.57 0.00 0.00 179.45 180.61 3abm n TYR 13 N -3.92 0.00 -0.24 -1.35 4.01 0.24 -4.76 117.16 111.13 3abm n TYR 13 Ca -0.10 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.67 3abm n TYR 13 Cb 0.81 -0.00 0.16 0.00 -0.31 0.00 0.00 39.34 40.00 3abm n TYR 13 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3abm h GLY 14 N 0.01 1.06 1.29 2.72 0.00 -0.75 0.10 103.07 107.50 3abm h GLY 14 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.17 3abm h GLY 14 CO 0.00 -0.03 0.44 3.43 0.00 0.00 0.00 176.54 180.38 3abm h ASN 15 N 0.48 0.83 0.05 0.19 2.35 -1.86 -0.72 115.58 116.91 3abm h ASN 15 Ca 0.37 -0.04 -0.23 0.00 -0.55 0.00 0.00 56.30 55.85 3abm h ASN 15 Cb 0.50 -0.21 0.02 0.00 0.05 0.00 0.00 38.32 38.68 3abm h ASN 15 CO -0.34 0.62 -0.95 0.00 -1.65 0.00 0.00 177.43 175.11 3abm h ALA 16 N 1.52 0.05 -0.23 -0.83 0.00 -1.61 -1.83 119.26 116.33 3abm h ALA 16 Ca 0.26 -0.68 0.05 0.00 0.00 0.00 0.00 54.91 54.53 3abm h ALA 16 Cb -0.07 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 3abm h ALA 16 CO -0.05 0.55 -0.08 0.28 0.00 0.00 0.00 179.25 179.95 3abm h VAL 17 N 0.13 0.73 0.51 0.00 2.07 -0.78 0.11 116.25 119.01 3abm h VAL 17 Ca -0.13 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 3abm h VAL 17 Cb 1.64 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 3abm h VAL 17 CO 0.18 0.00 -0.24 0.25 0.02 0.00 0.00 177.57 177.78 3abm h LEU 18 N -0.03 -0.58 -0.20 2.57 5.85 -1.14 -0.45 115.31 121.33 3abm h LEU 18 Ca 0.11 -0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.84 3abm h LEU 18 Cb 0.20 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 3abm h LEU 18 CO -0.25 -0.29 -0.20 0.00 -0.34 0.00 0.00 178.44 177.36 3abm h ALA 19 N -0.46 -0.08 0.00 1.25 0.00 -1.30 -0.54 119.26 118.13 3abm h ALA 19 Ca -0.07 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3abm h ALA 19 Cb 0.59 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3abm h ALA 19 CO 0.11 -0.63 -0.57 0.66 0.00 0.00 0.00 179.25 178.82 3abm h SER 20 N -0.21 0.00 -0.28 0.00 4.64 -1.01 -2.22 113.55 114.47 3abm h SER 20 Ca 0.12 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.43 3abm h SER 20 Cb 0.40 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 3abm h SER 20 CO -0.32 0.51 0.14 1.23 -0.87 0.00 0.00 176.83 177.52 3abm h GLY 21 N 3.51 0.43 0.93 -0.77 0.00 -0.90 -1.49 103.07 104.77 3abm h GLY 21 Ca -0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 3abm h GLY 21 CO 0.06 0.20 0.13 0.00 0.00 0.00 0.00 176.54 176.93 3abm h ALA 22 N 1.01 0.36 -0.06 3.60 0.00 -1.03 -1.83 119.26 121.31 3abm h ALA 22 Ca 0.10 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3abm h ALA 22 Cb 0.10 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3abm h ALA 22 CO -0.01 -0.07 0.03 1.15 0.00 0.00 0.00 179.25 180.36 3abm h THR 23 N 0.31 1.07 -0.77 0.00 2.02 -1.32 -1.73 112.91 112.50 3abm h THR 23 Ca 0.10 -0.21 0.04 0.00 0.77 0.00 0.00 66.41 67.10 3abm h THR 23 Cb 0.14 1.10 -0.05 0.00 -1.74 0.00 0.00 68.15 67.60 3abm h THR 23 CO -0.01 0.06 0.48 0.15 0.37 0.00 0.00 175.52 176.57 3abm h PHE 24 N 0.02 0.90 -0.21 3.16 3.57 -1.26 -0.82 116.94 122.30 3abm h PHE 24 Ca 0.02 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 3abm h PHE 24 Cb 0.07 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 3abm h PHE 24 CO -0.05 0.50 -0.03 0.00 -2.23 0.00 0.00 178.31 176.50 3abm h VAL 26 N 0.12 1.26 -0.02 0.00 2.07 -1.30 -2.10 116.25 116.28 3abm h VAL 26 Ca 0.05 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 3abm h VAL 26 Cb 0.47 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.11 3abm h VAL 26 CO 0.02 0.26 0.00 0.00 0.02 0.00 0.00 177.57 177.87 3abm h ALA 27 N 1.33 0.02 0.00 1.67 0.00 -0.82 -1.29 119.26 120.17 3abm h ALA 27 Ca 0.35 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.96 3abm h ALA 27 Cb -0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3abm h ALA 27 CO -0.07 -0.34 -0.75 -0.24 0.00 0.00 0.00 179.25 177.86 3abm h VAL 28 N -0.24 1.41 0.13 0.00 3.04 -1.18 -1.66 116.25 117.75 3abm h VAL 28 Ca 0.00 -2.66 -0.29 0.00 -1.01 0.00 0.00 66.70 62.74 3abm h VAL 28 Cb 0.28 2.48 0.02 0.00 -2.01 0.00 0.00 31.29 32.07 3abm h VAL 28 CO 0.00 0.73 -1.25 -0.50 -1.01 0.00 0.00 177.57 175.54 3abm h TRP 29 N 0.00 0.87 -0.92 3.17 4.06 -1.35 -0.64 115.95 121.14 3abm h TRP 29 Ca -0.01 -0.57 0.04 0.00 2.06 0.00 0.00 58.89 60.42 3abm h TRP 29 Cb 1.42 -0.06 -0.06 0.00 -1.00 0.00 0.00 29.16 29.46 3abm h TRP 29 CO 0.00 1.42 0.59 0.28 -3.56 0.00 0.00 178.44 177.17 3abm h VAL 30 N 0.22 1.13 -0.14 1.49 2.07 -1.07 -0.79 116.25 119.16 3abm h VAL 30 Ca -0.18 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 66.91 3abm h VAL 30 Cb 1.93 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 3abm h VAL 30 CO 0.23 0.21 -0.09 0.22 0.02 0.00 0.00 177.57 178.16 3abm h TYR 31 N 1.13 0.36 -0.59 1.57 5.03 -1.22 -2.62 116.97 120.63 3abm h TYR 31 Ca 0.38 -0.10 0.10 0.00 2.58 0.00 0.00 58.73 61.69 3abm h TYR 31 Cb 0.05 -0.08 -0.08 0.00 1.55 0.00 0.00 36.73 38.17 3abm h TYR 31 CO -0.01 0.66 0.18 1.98 -1.32 0.00 0.00 178.16 179.65 3abm h MET 32 N -0.04 0.33 0.00 1.82 4.05 -1.00 0.74 114.93 120.84 3abm h MET 32 Ca 0.03 -0.02 -0.07 0.00 -0.28 0.00 0.00 59.70 59.36 3abm h MET 32 Cb 0.58 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.29 3abm h MET 32 CO 0.02 0.22 -0.33 0.00 0.23 0.00 0.00 176.91 177.05 3abm h ALA 33 N 1.43 1.01 0.00 0.39 0.00 -1.08 -3.38 119.26 117.62 3abm h ALA 33 Ca 0.30 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3abm h ALA 33 Cb 0.40 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3abm h ALA 33 CO -0.33 0.41 -0.17 0.25 0.00 0.00 0.00 179.25 179.40 3abm n THR 34 N -3.50 0.00 -0.04 0.00 -2.24 -1.00 -4.82 114.28 102.69 3abm n THR 34 Ca -0.00 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 3abm n THR 34 Cb 0.49 0.87 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 3abm n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3abm n GLN 35 N -0.89 -0.60 -0.04 -0.78 1.13 0.24 -4.74 117.38 111.69 3abm n GLN 35 Ca 0.00 -0.46 0.04 0.00 -1.94 0.00 0.00 57.00 54.64 3abm n GLN 35 Cb 0.00 -0.96 0.06 0.00 0.11 0.00 0.00 30.24 29.45 3abm n GLN 35 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 3abm n ILE 36 N -0.04 1.31 -0.50 5.09 -5.35 -1.25 -4.99 119.36 113.62 3abm n ILE 36 Ca 0.00 -1.47 0.00 0.00 -0.27 0.00 0.00 62.75 61.01 3abm n ILE 36 Cb 0.01 0.21 0.00 0.00 -1.74 0.00 0.00 39.64 38.12 3abm n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3abm n GLY 37 N -0.86 0.73 3.73 3.28 0.00 -1.26 -5.04 105.19 105.76 3abm n GLY 37 Ca 0.07 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 3abm n GLY 37 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3abm n ILE 38 N -2.50 1.49 -3.27 -0.61 5.41 -1.26 -4.96 119.36 113.66 3abm n ILE 38 Ca 0.00 -0.37 -0.43 0.00 1.00 0.00 0.00 62.75 62.94 3abm n ILE 38 Cb 0.00 -1.81 -0.08 0.00 -0.71 0.00 0.00 39.64 37.04 3abm n ILE 38 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 3abm s GLU 39 N -1.23 3.09 0.04 0.38 2.56 -1.26 -4.91 118.70 117.36 3abm s GLU 39 Ca 0.60 -0.87 0.10 0.00 0.00 0.00 0.00 54.97 54.80 3abm s GLU 39 Cb -0.53 -4.03 -0.22 0.00 2.00 0.00 0.00 34.13 31.36 3abm s GLU 39 CO 0.56 -0.99 0.95 -1.49 -0.56 0.00 0.00 175.26 173.72 3abm h TRP 40 N 8.82 0.00 -5.70 5.30 4.06 -1.96 -3.49 115.95 122.97 3abm h TRP 40 Ca -0.27 0.00 -0.25 0.00 2.06 0.00 0.00 58.89 60.43 3abm h TRP 40 Cb 1.11 0.00 0.11 0.00 -1.00 0.00 0.00 29.16 29.37 3abm h TRP 40 CO 0.67 0.98 -0.68 -1.71 -3.56 0.00 0.00 178.44 174.14 3abm n ASN 41 N -3.18 -6.51 -4.75 -3.49 5.15 -1.26 -5.00 115.26 96.22 3abm n ASN 41 Ca -0.09 -0.64 -0.29 0.00 -0.60 0.00 0.00 54.58 52.95 3abm n ASN 41 Cb 0.99 -4.56 0.13 0.00 -0.53 0.00 0.00 39.78 35.82 3abm n ASN 41 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3abm s PRO 42 N -4.48 1.21 0.48 1.20 0.04 -1.26 -4.97 135.00 127.22 3abm s PRO 42 Ca 0.32 0.51 -0.24 0.00 0.04 0.00 0.00 61.00 61.63 3abm s PRO 42 Cb -0.07 -1.83 -0.07 0.00 0.04 0.00 0.00 34.50 32.57 3abm s PRO 42 CO 0.78 -2.20 1.38 0.45 0.04 0.00 0.00 177.00 177.45 3abm s SER 43 N -3.77 5.74 0.30 6.66 0.15 -1.26 -4.90 113.70 116.62 3abm s SER 43 Ca 0.63 2.81 0.26 0.00 0.70 0.00 0.00 55.95 60.35 3abm s SER 43 Cb -0.16 -2.64 0.89 0.00 -1.71 0.00 0.00 66.02 62.39 3abm s SER 43 CO 0.55 -1.25 1.76 1.55 1.20 0.00 0.00 173.24 177.05 3abm h PRO 44 N 2.07 0.00 -6.30 5.44 0.13 -1.97 -3.42 132.00 127.95 3abm h PRO 44 Ca -0.51 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.02 3abm h PRO 44 Cb 1.27 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.42 3abm h PRO 44 CO 0.60 0.00 1.09 0.28 -0.23 0.00 0.00 178.00 179.74 3abm n VAL 45 N -2.46 0.56 -0.66 1.56 0.31 -1.26 0.50 118.33 116.88 3abm n VAL 45 Ca 0.04 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 3abm n VAL 45 Cb 0.35 -1.90 0.00 0.00 -0.91 0.00 0.00 33.84 31.39 3abm n VAL 45 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3abm n GLY 46 N 4.36 1.56 0.00 2.92 0.00 -1.26 -4.77 105.19 108.00 3abm n GLY 46 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3abm n GLY 46 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3abm n ARG 47 N -2.00 1.91 -3.82 1.61 1.85 0.18 -5.06 116.66 111.34 3abm n ARG 47 Ca 0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.48 3abm n ARG 47 Cb 0.00 -0.84 -0.06 0.00 -1.05 0.00 0.00 32.46 30.51 3abm n ARG 47 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3abm s VAL 48 N -1.68 5.44 -0.35 8.89 1.01 -0.16 -5.05 120.40 128.50 3abm s VAL 48 Ca 0.00 0.30 -0.19 0.00 0.00 0.00 0.00 61.98 62.09 3abm s VAL 48 Cb 0.00 -3.45 -0.00 0.00 0.00 0.00 0.00 36.38 32.93 3abm s VAL 48 CO 0.00 0.60 0.55 -0.89 0.00 0.00 0.00 175.10 175.36 3abm s THR 49 N -0.96 4.98 0.56 3.92 2.01 -1.26 -4.93 115.64 119.96 3abm s THR 49 Ca 0.16 0.42 -0.21 0.00 0.31 0.00 0.00 61.69 62.37 3abm s THR 49 Cb -0.13 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 3abm s THR 49 CO 0.05 -0.23 1.36 -2.84 -0.69 0.00 0.00 174.62 172.27 3abm s PRO 50 N 2.48 3.04 0.03 4.92 0.02 -1.26 -5.02 135.00 139.20 3abm s PRO 50 Ca 0.20 2.24 0.03 0.00 0.02 0.00 0.00 61.00 63.49 3abm s PRO 50 Cb -0.15 -2.20 -0.02 0.00 0.02 0.00 0.00 34.50 32.15 3abm s PRO 50 CO 0.14 -1.27 -0.10 0.21 -0.33 0.00 0.00 177.00 175.65 3abm s LYS 51 N -2.97 0.69 0.38 5.54 2.20 -1.26 -5.11 119.74 119.21 3abm s LYS 51 Ca 0.73 -0.61 -0.28 0.00 -0.36 0.00 0.00 55.97 55.46 3abm s LYS 51 Cb -0.41 -0.62 -0.11 0.00 -1.51 0.00 0.00 37.83 35.19 3abm s LYS 51 CO 0.47 0.15 1.49 -1.21 -0.36 0.00 0.00 175.35 175.90 3abm s GLU 52 N -0.99 4.07 0.00 4.03 0.41 -1.26 -4.90 118.70 120.07 3abm s GLU 52 Ca -0.02 2.59 0.00 0.00 -0.41 0.00 0.00 54.97 57.13 3abm s GLU 52 Cb -0.07 -2.95 0.00 0.00 -1.78 0.00 0.00 34.13 29.33 3abm s GLU 52 CO 0.01 -0.57 0.00 -2.67 -0.49 0.00 0.00 175.26 171.54 3abm n TRP 53 N 0.40 0.00 1.63 1.61 4.27 -1.26 -5.33 117.44 118.76 3abm n TRP 53 Ca 0.01 0.00 0.13 0.00 -3.89 0.00 0.00 57.50 53.75 3abm n TRP 53 Cb 0.39 0.00 0.77 0.00 -1.36 0.00 0.00 31.31 31.11 3abm n TRP 53 CO 0.00 0.00 0.00 -2.13 -2.29 0.00 0.00 177.69 173.27