#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oco n PRO 7 N 0.00 1.17 -2.01 0.00 -0.02 -1.26 -4.96 135.00 127.91 1oco n PRO 7 Ca 0.00 0.42 -0.29 0.00 -2.02 0.00 0.00 63.50 61.62 1oco n PRO 7 Cb 0.00 -2.07 0.14 0.00 -0.02 0.00 0.00 33.50 31.55 1oco n PRO 7 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 1oco s ASP 8 N 0.95 3.76 0.24 2.55 1.47 -1.26 -4.87 116.67 119.52 1oco s ASP 8 Ca 0.86 0.37 -0.06 0.00 1.18 0.00 0.00 52.55 54.91 1oco s ASP 8 Cb -0.97 -0.62 0.46 0.00 -0.34 0.00 0.00 42.92 41.45 1oco s ASP 8 CO 0.49 -2.32 1.66 0.15 0.68 0.00 0.00 175.17 175.84 1oco h PHE 9 N -1.28 0.15 0.00 2.11 3.04 -2.00 0.37 116.94 119.33 1oco h PHE 9 Ca -0.44 0.05 0.00 0.00 3.98 0.00 0.00 57.97 61.56 1oco h PHE 9 Cb 1.27 0.05 0.00 0.00 2.56 0.00 0.00 35.95 39.83 1oco h PHE 9 CO -0.53 -0.15 0.00 0.72 -2.02 0.00 0.00 178.31 176.33 1oco n HIS 10 N -5.23 0.42 0.11 0.41 -0.00 -1.26 -1.14 115.22 108.53 1oco n HIS 10 Ca 0.14 0.15 -0.20 0.00 -0.00 0.00 0.00 57.72 57.81 1oco n HIS 10 Cb 0.47 -0.75 -0.13 0.00 -0.00 0.00 0.00 29.99 29.59 1oco n HIS 10 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.34 175.90 1oco h ASP 11 N 0.00 0.72 0.31 0.41 3.32 -0.60 -2.77 116.42 117.82 1oco h ASP 11 Ca 0.00 -0.70 -0.00 0.00 0.02 0.00 0.00 57.03 56.34 1oco h ASP 11 Cb 0.39 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 1oco h ASP 11 CO 0.00 1.53 -1.69 2.29 -1.72 0.00 0.00 179.24 179.65 1oco n LYS 12 N -3.70 0.64 -0.00 3.56 2.85 -1.08 -4.61 118.16 115.81 1oco n LYS 12 Ca -0.12 -0.09 0.01 0.00 -1.05 0.00 0.00 58.31 57.05 1oco n LYS 12 Cb 1.01 -1.62 -0.02 0.00 -0.65 0.00 0.00 35.03 33.75 1oco n LYS 12 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1oco n TYR 13 N -2.40 0.00 -0.23 5.58 4.01 -0.29 -4.79 117.16 119.05 1oco n TYR 13 Ca -0.03 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.63 1oco n TYR 13 Cb 0.57 -0.05 -0.07 0.00 -0.31 0.00 0.00 39.34 39.49 1oco n TYR 13 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1oco h GLY 14 N 0.47 -1.39 1.18 2.72 0.00 -1.62 0.22 103.07 104.65 1oco h GLY 14 Ca 0.00 0.87 0.07 0.00 0.00 0.00 0.00 47.33 48.26 1oco h GLY 14 CO 0.00 -0.30 0.39 3.43 0.00 0.00 0.00 176.54 180.06 1oco h ASN 15 N -0.09 0.46 0.60 0.19 4.21 -1.88 0.16 115.58 119.23 1oco h ASN 15 Ca 0.09 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.57 1oco h ASN 15 Cb 0.32 -0.09 0.01 0.00 -1.12 0.00 0.00 38.32 37.44 1oco h ASN 15 CO -0.57 0.29 -0.29 0.00 -1.29 0.00 0.00 177.43 175.57 1oco h ALA 16 N 1.69 -1.01 -0.49 -0.83 0.00 -1.48 -1.19 119.26 115.95 1oco h ALA 16 Ca 0.25 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.08 1oco h ALA 16 Cb 0.34 0.31 -0.10 0.00 0.00 0.00 0.00 17.79 18.34 1oco h ALA 16 CO -0.07 -0.95 -0.29 0.28 0.00 0.00 0.00 179.25 178.22 1oco h VAL 17 N -0.97 0.25 0.01 0.00 2.07 -0.59 0.29 116.25 117.31 1oco h VAL 17 Ca -0.08 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.47 1oco h VAL 17 Cb 0.62 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1oco h VAL 17 CO 0.14 0.00 -0.26 0.25 0.02 0.00 0.00 177.57 177.71 1oco h LEU 18 N -0.18 -0.78 0.69 2.57 5.85 -0.71 0.37 115.31 123.13 1oco h LEU 18 Ca 0.21 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 59.00 1oco h LEU 18 Cb 0.52 0.32 0.01 0.00 0.37 0.00 0.00 40.66 41.87 1oco h LEU 18 CO -0.59 -0.33 -0.33 0.00 -0.34 0.00 0.00 178.44 176.84 1oco h ALA 19 N 0.40 -1.02 -0.81 1.25 0.00 0.12 0.38 119.26 119.58 1oco h ALA 19 Ca 0.06 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.84 1oco h ALA 19 Cb 0.49 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 1oco h ALA 19 CO -0.23 -0.95 0.48 0.66 0.00 0.00 0.00 179.25 179.22 1oco h SER 20 N -1.13 0.73 -0.09 0.00 4.64 -0.50 0.31 113.55 117.51 1oco h SER 20 Ca -0.09 0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1oco h SER 20 Cb 0.71 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1oco h SER 20 CO 0.16 0.46 0.05 1.23 -0.87 0.00 0.00 176.83 177.85 1oco h GLY 21 N 0.86 0.13 1.44 -0.77 0.00 -0.21 -0.13 103.07 104.40 1oco h GLY 21 Ca 0.37 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.62 1oco h GLY 21 CO -0.20 0.06 0.23 0.00 0.00 0.00 0.00 176.54 176.63 1oco h ALA 22 N 0.98 1.44 0.05 3.60 0.00 -0.57 -2.18 119.26 122.58 1oco h ALA 22 Ca 0.03 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1oco h ALA 22 Cb 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1oco h ALA 22 CO -0.01 0.44 -0.02 1.15 0.00 0.00 0.00 179.25 180.81 1oco h THR 23 N 0.73 1.18 -0.24 0.00 2.02 -0.34 -2.44 112.91 113.82 1oco h THR 23 Ca 0.18 -0.75 -0.02 0.00 0.77 0.00 0.00 66.41 66.59 1oco h THR 23 Cb 0.10 1.67 -0.01 0.00 -1.74 0.00 0.00 68.15 68.17 1oco h THR 23 CO -0.02 0.19 0.07 0.15 0.37 0.00 0.00 175.52 176.28 1oco h PHE 24 N -0.40 0.32 0.44 3.16 3.57 -0.94 -2.62 116.94 120.48 1oco h PHE 24 Ca -0.01 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 1oco h PHE 24 Cb 0.36 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.00 1oco h PHE 24 CO 0.04 0.28 -0.21 0.00 -2.23 0.00 0.00 178.31 176.19 1oco h VAL 26 N -0.77 0.41 0.00 0.00 3.04 -1.41 -1.85 116.25 115.67 1oco h VAL 26 Ca -0.06 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.63 1oco h VAL 26 Cb 0.46 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 30.37 1oco h VAL 26 CO 0.10 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.66 1oco n ALA 27 N -2.40 -0.09 -0.40 3.17 0.00 -0.99 -2.09 120.51 117.71 1oco n ALA 27 Ca 0.09 0.00 0.36 0.00 0.00 0.00 0.00 53.44 53.89 1oco n ALA 27 Cb 0.66 0.00 0.71 0.00 0.00 0.00 0.00 19.45 20.82 1oco n ALA 27 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1oco h VAL 28 N 0.00 0.33 0.03 0.00 2.07 -1.29 0.17 116.25 117.56 1oco h VAL 28 Ca 0.00 -0.03 -0.08 0.00 0.82 0.00 0.00 66.70 67.41 1oco h VAL 28 Cb 0.00 0.24 0.01 0.00 -1.52 0.00 0.00 31.29 30.02 1oco h VAL 28 CO 0.00 0.01 -0.34 -0.50 0.02 0.00 0.00 177.57 176.76 1oco h TRP 29 N 0.08 0.28 -0.35 1.57 4.06 -1.45 -2.26 115.95 117.88 1oco h TRP 29 Ca 0.66 -0.18 0.04 0.00 2.06 0.00 0.00 58.89 61.48 1oco h TRP 29 Cb 2.42 -0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 30.54 1oco h TRP 29 CO -0.00 1.05 0.24 0.28 -3.56 0.00 0.00 178.44 176.45 1oco h VAL 30 N -0.57 0.98 -0.00 1.49 2.07 -0.16 0.04 116.25 120.10 1oco h VAL 30 Ca -0.05 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1oco h VAL 30 Cb 1.17 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1oco h VAL 30 CO 0.07 0.05 -0.01 0.22 0.02 0.00 0.00 177.57 177.92 1oco h TYR 31 N 0.29 0.01 -0.74 1.57 5.03 -1.17 -2.84 116.97 119.12 1oco h TYR 31 Ca 0.15 -0.00 0.08 0.00 2.58 0.00 0.00 58.73 61.54 1oco h TYR 31 Cb 0.23 -0.00 -0.07 0.00 1.55 0.00 0.00 36.73 38.44 1oco h TYR 31 CO -0.00 0.62 0.41 1.98 -1.32 0.00 0.00 178.16 179.85 1oco h MET 32 N -0.60 0.69 0.00 1.82 4.05 -0.76 0.92 114.93 121.04 1oco h MET 32 Ca -0.00 -0.04 -0.05 0.00 -0.28 0.00 0.00 59.70 59.33 1oco h MET 32 Cb 0.62 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.26 1oco h MET 32 CO 0.00 0.45 -0.22 0.00 0.23 0.00 0.00 176.91 177.38 1oco h ALA 33 N 1.41 1.55 0.00 0.39 0.00 -1.05 -3.37 119.26 118.19 1oco h ALA 33 Ca 0.35 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1oco h ALA 33 Cb 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1oco h ALA 33 CO -0.23 0.28 -0.99 0.25 0.00 0.00 0.00 179.25 178.55 1oco n THR 34 N -4.15 0.00 0.97 0.00 -2.24 -0.78 -4.81 114.28 103.27 1oco n THR 34 Ca -0.02 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.86 1oco n THR 34 Cb 0.29 -0.72 0.51 0.00 -2.10 0.00 0.00 70.33 68.30 1oco n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1oco n GLN 35 N -2.60 0.32 -4.30 -0.78 1.13 0.31 -4.86 117.38 106.59 1oco n GLN 35 Ca 0.00 0.09 -0.28 0.00 -1.94 0.00 0.00 57.00 54.87 1oco n GLN 35 Cb 0.49 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 29.29 1oco n GLN 35 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 1oco n ILE 36 N -1.26 0.00 0.83 5.09 -5.35 -1.25 -5.02 119.36 112.40 1oco n ILE 36 Ca 0.10 -2.09 0.02 0.00 -0.27 0.00 0.00 62.75 60.50 1oco n ILE 36 Cb 0.15 0.39 0.10 0.00 -1.74 0.00 0.00 39.64 38.54 1oco n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1oco n GLY 37 N -0.34 -0.41 3.65 3.28 0.00 -1.26 -4.88 105.19 105.23 1oco n GLY 37 Ca -0.18 -0.02 -0.49 0.00 0.00 0.00 0.00 46.02 45.33 1oco n GLY 37 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1oco n ILE 38 N -0.63 0.12 -3.58 -0.61 5.41 -1.26 -4.94 119.36 113.87 1oco n ILE 38 Ca 0.03 -0.02 -0.40 0.00 1.00 0.00 0.00 62.75 63.35 1oco n ILE 38 Cb 0.01 -1.36 -0.08 0.00 -0.71 0.00 0.00 39.64 37.50 1oco n ILE 38 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1oco s GLU 39 N 1.53 2.57 0.01 0.38 -6.30 -1.26 -4.92 118.70 110.72 1oco s GLU 39 Ca 0.84 -1.99 0.27 0.00 -2.50 0.00 0.00 54.97 51.60 1oco s GLU 39 Cb -0.79 -3.91 1.13 0.00 0.00 0.00 0.00 34.13 30.55 1oco s GLU 39 CO 0.45 -1.19 1.86 0.91 0.02 0.00 0.00 175.26 177.31 1oco n TRP 40 N 4.52 0.06 -3.89 5.30 7.02 -1.26 -4.94 117.44 124.25 1oco n TRP 40 Ca -0.02 0.02 -0.39 0.00 -1.02 0.00 0.00 57.50 56.09 1oco n TRP 40 Cb 0.41 -0.53 0.03 0.00 -2.42 0.00 0.00 31.31 28.80 1oco n TRP 40 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 1oco n ASN 41 N -1.55 -4.51 -4.57 -0.99 5.15 -1.26 -4.92 115.26 102.61 1oco n ASN 41 Ca 0.06 -1.16 -0.28 0.00 -0.60 0.00 0.00 54.58 52.60 1oco n ASN 41 Cb 0.32 -2.50 0.22 0.00 -0.53 0.00 0.00 39.78 37.29 1oco n ASN 41 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1oco s PRO 42 N -6.74 -0.39 0.30 1.20 0.04 -1.26 -4.94 135.00 123.21 1oco s PRO 42 Ca 0.47 0.65 -0.29 0.00 0.04 0.00 0.00 61.00 61.87 1oco s PRO 42 Cb -0.21 -1.63 -0.10 0.00 0.04 0.00 0.00 34.50 32.60 1oco s PRO 42 CO 0.92 -3.32 1.20 0.45 0.04 0.00 0.00 177.00 176.30 1oco s SER 43 N -2.96 7.02 0.30 6.66 0.15 -1.26 -4.94 113.70 118.67 1oco s SER 43 Ca 0.67 2.48 0.12 0.00 0.70 0.00 0.00 55.95 59.92 1oco s SER 43 Cb -0.22 -2.64 0.47 0.00 -1.71 0.00 0.00 66.02 61.92 1oco s SER 43 CO 0.61 -0.34 1.67 1.55 1.20 0.00 0.00 173.24 177.94 1oco h PRO 44 N 3.62 0.00 -6.27 5.44 0.13 -1.96 -3.42 132.00 129.54 1oco h PRO 44 Ca -0.48 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.02 1oco h PRO 44 Cb 1.22 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.37 1oco h PRO 44 CO 0.66 0.54 1.06 1.55 -0.23 0.00 0.00 178.00 181.59 1oco n VAL 45 N -3.85 0.53 0.00 1.56 3.14 -1.26 0.18 118.33 118.63 1oco n VAL 45 Ca -0.01 -0.09 0.00 0.00 -2.96 0.00 0.00 64.34 61.27 1oco n VAL 45 Cb 0.56 -1.78 0.00 0.00 -1.06 0.00 0.00 33.84 31.56 1oco n VAL 45 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1oco n GLY 46 N 4.34 2.89 0.03 7.55 0.00 -1.26 -4.75 105.19 113.99 1oco n GLY 46 Ca 0.23 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.26 1oco n GLY 46 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1oco n ARG 47 N -0.40 1.12 -4.38 1.61 1.85 0.26 -5.00 116.66 111.72 1oco n ARG 47 Ca 0.00 -0.07 -0.34 0.00 -1.00 0.00 0.00 57.85 56.44 1oco n ARG 47 Cb 0.00 -1.30 -0.11 0.00 -1.05 0.00 0.00 32.46 30.00 1oco n ARG 47 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1oco s VAL 48 N -2.62 4.09 -0.48 8.89 1.01 0.13 -5.07 120.40 126.35 1oco s VAL 48 Ca -0.05 -0.30 -0.19 0.00 0.00 0.00 0.00 61.98 61.43 1oco s VAL 48 Cb 0.06 -2.76 0.04 0.00 0.00 0.00 0.00 36.38 33.72 1oco s VAL 48 CO 0.51 0.54 0.60 -0.89 0.00 0.00 0.00 175.10 175.86 1oco s THR 49 N -0.17 4.89 0.31 3.92 2.01 -1.26 -4.85 115.64 120.49 1oco s THR 49 Ca 0.04 -0.31 -0.29 0.00 0.31 0.00 0.00 61.69 61.44 1oco s THR 49 Cb -0.13 -4.24 -0.11 0.00 0.01 0.00 0.00 72.50 68.04 1oco s THR 49 CO 0.02 -0.70 1.50 -2.16 -0.69 0.00 0.00 174.62 172.59 1oco s PRO 50 N 2.62 4.17 0.13 4.92 0.04 -1.26 -5.01 135.00 140.61 1oco s PRO 50 Ca 0.17 2.48 0.05 0.00 0.04 0.00 0.00 61.00 63.73 1oco s PRO 50 Cb -0.17 -3.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.30 1oco s PRO 50 CO 0.14 -0.51 0.08 0.15 0.04 0.00 0.00 177.00 176.91 1oco s LYS 51 N -1.12 2.78 0.22 4.56 1.02 -1.26 -5.09 119.74 120.84 1oco s LYS 51 Ca 0.58 -0.85 -0.30 0.00 0.02 0.00 0.00 55.97 55.41 1oco s LYS 51 Cb -0.45 -2.61 -0.10 0.00 -0.52 0.00 0.00 37.83 34.14 1oco s LYS 51 CO 0.52 0.51 1.47 -2.00 -0.92 0.00 0.00 175.35 174.93 1oco s GLU 52 N -2.77 4.25 0.00 1.68 2.56 -1.26 -4.91 118.70 118.26 1oco s GLU 52 Ca 0.29 2.31 0.17 0.00 0.00 0.00 0.00 54.97 57.74 1oco s GLU 52 Cb -0.11 -3.13 -0.09 0.00 2.00 0.00 0.00 34.13 32.81 1oco s GLU 52 CO 0.22 -0.47 0.82 -2.67 -0.56 0.00 0.00 175.26 172.60 1oco n TRP 53 N 2.80 0.00 -0.37 5.30 4.27 -1.26 -5.34 117.44 122.84 1oco n TRP 53 Ca 0.09 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.70 1oco n TRP 53 Cb 0.40 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.35 1oco n TRP 53 CO 0.00 0.00 0.00 -2.13 -2.29 0.00 0.00 177.69 173.27