#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jy2 s TRP 36 N 0.00 2.89 0.65 1.61 0.52 -1.26 -5.01 118.94 118.34 1jy2 s TRP 36 Ca 0.00 1.49 -0.15 0.00 0.02 0.00 0.00 56.10 57.47 1jy2 s TRP 36 Cb 0.00 -2.99 -0.01 0.00 -1.15 0.00 0.00 33.47 29.32 1jy2 s TRP 36 CO 0.00 -1.39 1.09 -1.25 0.02 0.00 0.00 176.95 175.42 1jy2 s PRO 37 N -4.62 2.94 0.44 4.98 0.04 -1.26 -4.97 135.00 132.55 1jy2 s PRO 37 Ca 0.61 1.29 -0.24 0.00 0.04 0.00 0.00 61.00 62.71 1jy2 s PRO 37 Cb -0.16 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.33 1jy2 s PRO 37 CO 0.49 -1.13 1.18 -0.06 0.04 0.00 0.00 177.00 177.51 1jy2 s PHE 38 N -2.45 2.91 0.69 0.56 0.40 -1.26 -5.00 117.98 113.83 1jy2 s PHE 38 Ca 0.65 1.53 -0.12 0.00 -0.60 0.00 0.00 56.93 58.39 1jy2 s PHE 38 Cb -0.18 -3.40 0.01 0.00 0.51 0.00 0.00 43.02 39.96 1jy2 s PHE 38 CO 0.42 -1.51 1.08 0.00 0.70 0.00 0.00 175.22 175.91 1jy2 s SER 40 N -3.24 4.58 0.44 0.00 1.04 -1.26 -4.99 113.70 110.27 1jy2 s SER 40 Ca 0.62 -0.92 0.10 0.00 0.48 0.00 0.00 55.95 56.23 1jy2 s SER 40 Cb -0.17 -0.59 0.97 0.00 0.10 0.00 0.00 66.02 66.34 1jy2 s SER 40 CO 0.49 -0.45 2.07 0.44 0.98 0.00 0.00 173.24 176.77 1jy2 h ASP 41 N 1.45 0.36 0.64 7.02 3.32 -1.99 -1.00 116.42 126.21 1jy2 h ASP 41 Ca -0.43 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.59 1jy2 h ASP 41 Cb 1.25 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.71 1jy2 h ASP 41 CO 0.66 0.25 -0.10 -0.33 -1.72 0.00 0.00 179.24 178.00 1jy2 h GLU 42 N 0.42 0.00 0.00 3.56 5.08 -2.03 -2.96 114.58 118.65 1jy2 h GLU 42 Ca 0.14 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.38 1jy2 h GLU 42 Cb 0.05 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1jy2 h GLU 42 CO -0.03 0.10 -0.56 -0.44 -1.00 0.00 0.00 179.01 177.08 1jy2 h ASP 43 N 0.00 0.00 -2.98 1.42 3.32 -1.56 -3.44 116.42 113.18 1jy2 h ASP 43 Ca -0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 1jy2 h ASP 43 Cb 0.45 0.00 0.10 0.00 0.22 0.00 0.00 39.33 40.09 1jy2 h ASP 43 CO 0.01 0.56 0.54 1.87 -1.72 0.00 0.00 179.24 180.50 1jy2 n TRP 44 N -3.86 2.19 0.00 4.55 -0.00 -1.12 -1.39 117.44 117.81 1jy2 n TRP 44 Ca -0.01 0.50 0.00 0.00 -0.00 0.00 0.00 57.50 57.99 1jy2 n TRP 44 Cb 0.57 -2.43 0.00 0.00 -0.00 0.00 0.00 31.31 29.45 1jy2 n TRP 44 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 1jy2 n ASN 45 N 1.46 0.00 -0.08 5.87 3.02 -1.26 -4.72 115.26 119.55 1jy2 n ASN 45 Ca 0.08 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.54 1jy2 n ASN 45 Cb 0.34 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.39 1jy2 n ASN 45 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1jy2 n THR 46 N -2.00 1.11 -4.74 3.41 -1.04 -0.49 -4.93 114.28 105.60 1jy2 n THR 46 Ca 0.00 -0.63 -0.26 0.00 -2.04 0.00 0.00 64.05 61.12 1jy2 n THR 46 Cb 0.00 -0.70 -0.16 0.00 -1.82 0.00 0.00 70.33 67.65 1jy2 n THR 46 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1jy2 s LYS 47 N -2.39 1.85 0.15 -2.82 1.02 -0.49 -5.14 119.74 111.92 1jy2 s LYS 47 Ca -0.12 -0.53 0.02 0.00 0.02 0.00 0.00 55.97 55.37 1jy2 s LYS 47 Cb 0.05 -1.53 -0.04 0.00 -0.52 0.00 0.00 37.83 35.78 1jy2 s LYS 47 CO 0.62 0.12 -0.02 0.00 -0.92 0.00 0.00 175.35 175.15 1jy2 s PRO 49 N -3.89 1.59 0.37 0.00 0.02 -1.26 -4.97 135.00 126.86 1jy2 s PRO 49 Ca 0.21 1.05 -0.28 0.00 0.02 0.00 0.00 61.00 62.00 1jy2 s PRO 49 Cb 0.06 -1.83 -0.10 0.00 0.02 0.00 0.00 34.50 32.65 1jy2 s PRO 49 CO 0.02 -2.08 1.37 0.45 -0.33 0.00 0.00 177.00 176.43 1jy2 s SER 50 N -3.30 6.48 0.46 2.53 0.15 -1.26 -4.90 113.70 113.85 1jy2 s SER 50 Ca 0.63 2.81 0.17 0.00 0.70 0.00 0.00 55.95 60.26 1jy2 s SER 50 Cb -0.18 -2.65 1.08 0.00 -1.71 0.00 0.00 66.02 62.55 1jy2 s SER 50 CO 0.57 -0.75 2.00 1.23 1.20 0.00 0.00 173.24 177.49 1jy2 h GLY 51 N 3.04 0.00 1.43 9.45 0.00 -1.99 -1.28 103.07 113.72 1jy2 h GLY 51 Ca -0.50 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.69 1jy2 h GLY 51 CO 0.64 0.00 -0.40 0.00 0.00 0.00 0.00 176.54 176.78 1jy2 h ARG 53 N 0.52 0.57 -0.64 0.00 9.65 -1.79 -1.63 114.38 121.06 1jy2 h ARG 53 Ca 0.04 -0.23 -0.08 0.00 -1.10 0.00 0.00 59.98 58.61 1jy2 h ARG 53 Cb 0.92 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.45 1jy2 h ARG 53 CO 0.08 0.79 0.08 0.52 2.80 0.00 0.00 179.97 184.24 1jy2 h MET 54 N 0.33 1.06 -0.82 0.20 2.86 -1.10 -0.94 114.93 116.52 1jy2 h MET 54 Ca 0.07 -0.29 -0.03 0.00 -2.06 0.00 0.00 59.70 57.39 1jy2 h MET 54 Cb 0.59 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 32.09 1jy2 h MET 54 CO 0.03 0.99 0.39 -0.22 1.06 0.00 0.00 176.91 179.16 1jy2 h LYS 55 N 0.99 1.18 -0.70 1.72 1.63 -1.05 0.86 116.57 121.21 1jy2 h LYS 55 Ca 0.19 -0.17 0.01 0.00 -0.85 0.00 0.00 60.65 59.83 1jy2 h LYS 55 Cb 0.46 -0.21 -0.04 0.00 -0.60 0.00 0.00 32.23 31.84 1jy2 h LYS 55 CO 0.02 0.91 0.46 0.78 -3.45 0.00 0.00 179.45 178.16 1jy2 h GLY 56 N 1.18 0.99 1.21 5.01 0.00 -0.64 -0.05 103.07 110.78 1jy2 h GLY 56 Ca 0.28 -0.36 -0.14 0.00 0.00 0.00 0.00 47.33 47.11 1jy2 h GLY 56 CO -0.04 0.34 -0.32 1.41 0.00 0.00 0.00 176.54 177.93 1jy2 h LEU 57 N 0.93 0.92 -0.50 3.11 3.38 -0.73 -1.68 115.31 120.74 1jy2 h LEU 57 Ca 0.26 -0.39 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1jy2 h LEU 57 Cb -0.08 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 1jy2 h LEU 57 CO -0.07 1.16 0.09 0.40 0.09 0.00 0.00 178.44 180.11 1jy2 h ILE 58 N 0.74 1.25 -0.66 1.22 2.04 -0.62 -1.53 117.51 119.94 1jy2 h ILE 58 Ca 0.08 -0.91 0.01 0.00 1.00 0.00 0.00 64.86 65.03 1jy2 h ILE 58 Cb 0.89 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 1jy2 h ILE 58 CO 0.08 0.33 0.44 0.44 0.00 0.00 0.00 178.15 179.44 1jy2 h ASP 59 N 0.70 0.76 -0.32 1.72 3.45 -0.87 -0.89 116.42 120.97 1jy2 h ASP 59 Ca 0.15 -0.02 -0.03 0.00 0.43 0.00 0.00 57.03 57.57 1jy2 h ASP 59 Cb 0.38 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.95 1jy2 h ASP 59 CO 0.01 0.55 0.10 -0.08 -1.57 0.00 0.00 179.24 178.25 1jy2 h GLU 60 N 0.90 0.49 -0.36 3.56 4.81 -1.08 -1.14 114.58 121.77 1jy2 h GLU 60 Ca 0.24 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1jy2 h GLU 60 Cb -0.10 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 1jy2 h GLU 60 CO -0.05 0.53 0.21 0.28 -0.73 0.00 0.00 179.01 179.25 1jy2 h VAL 61 N 0.36 1.12 -0.54 0.32 2.07 -0.98 -1.72 116.25 116.88 1jy2 h VAL 61 Ca 0.10 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 1jy2 h VAL 61 Cb 0.25 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1jy2 h VAL 61 CO -0.00 0.12 0.18 -0.78 0.02 0.00 0.00 177.57 177.11 1jy2 h ASP 62 N 0.46 0.73 -0.59 0.57 3.58 -0.99 -0.47 116.42 119.72 1jy2 h ASP 62 Ca 0.13 -0.11 -0.08 0.00 0.42 0.00 0.00 57.03 57.39 1jy2 h ASP 62 Cb 0.01 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 40.85 1jy2 h ASP 62 CO -0.02 0.69 0.05 -0.61 -2.88 0.00 0.00 179.24 176.47 1jy2 h GLN 63 N 0.78 1.03 -0.02 0.28 -0.00 -0.94 -0.20 115.11 116.04 1jy2 h GLN 63 Ca 0.18 -0.29 -0.00 0.00 -0.00 0.00 0.00 58.65 58.54 1jy2 h GLN 63 Cb 0.22 -0.11 -0.00 0.00 0.00 0.00 0.00 27.48 27.58 1jy2 h GLN 63 CO -0.01 0.98 0.01 0.22 0.00 0.00 0.00 178.83 180.02 1jy2 h ASP 64 N 0.96 0.03 -0.49 -0.69 -0.00 -0.74 -1.17 116.42 114.31 1jy2 h ASP 64 Ca 0.18 -0.20 -0.11 0.00 -0.00 0.00 0.00 57.03 56.90 1jy2 h ASP 64 Cb 0.48 -0.01 -0.02 0.00 -0.00 0.00 0.00 39.33 39.79 1jy2 h ASP 64 CO 0.02 0.22 -0.13 -0.26 -0.00 0.00 0.00 179.24 179.09 1jy2 h PHE 65 N -0.16 1.08 -0.42 0.28 0.05 -1.01 -0.65 116.94 116.11 1jy2 h PHE 65 Ca 0.01 -0.23 0.00 0.00 3.82 0.00 0.00 57.97 61.56 1jy2 h PHE 65 Cb 0.20 -0.26 -0.02 0.00 2.00 0.00 0.00 35.95 37.87 1jy2 h PHE 65 CO -0.01 1.03 0.27 1.15 -0.18 0.00 0.00 178.31 180.58 1jy2 h THR 66 N 0.81 1.11 -0.48 -1.55 2.02 -0.99 -0.23 112.91 113.60 1jy2 h THR 66 Ca 0.12 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 1jy2 h THR 66 Cb 0.69 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 1jy2 h THR 66 CO 0.05 0.11 0.22 -1.28 0.37 0.00 0.00 175.52 174.99 1jy2 h SER 67 N 0.56 0.64 -0.43 4.18 0.87 -0.99 -1.59 113.55 116.79 1jy2 h SER 67 Ca 0.15 -0.14 -0.10 0.00 -1.23 0.00 0.00 61.79 60.47 1jy2 h SER 67 Cb -0.05 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.72 1jy2 h SER 67 CO -0.03 0.60 -0.10 0.03 -0.53 0.00 0.00 176.83 176.81 1jy2 h ARG 68 N 0.64 0.89 -0.65 2.24 3.08 -0.84 -1.28 114.38 118.46 1jy2 h ARG 68 Ca 0.16 -0.30 -0.08 0.00 0.07 0.00 0.00 59.98 59.83 1jy2 h ARG 68 Cb 0.14 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 1jy2 h ARG 68 CO -0.02 0.94 0.09 0.82 -1.07 0.00 0.00 179.97 180.74 1jy2 h ILE 69 N 0.80 1.26 -0.55 2.04 2.04 -0.90 -1.13 117.51 121.08 1jy2 h ILE 69 Ca 0.13 -1.05 -0.08 0.00 1.00 0.00 0.00 64.86 64.87 1jy2 h ILE 69 Cb 0.61 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 1jy2 h ILE 69 CO 0.04 0.39 0.03 0.78 0.00 0.00 0.00 178.15 179.39 1jy2 h ASN 70 N 1.01 0.89 -0.36 1.72 2.35 -0.93 -1.11 115.58 119.15 1jy2 h ASN 70 Ca 0.20 -0.22 -0.12 0.00 -0.55 0.00 0.00 56.30 55.61 1jy2 h ASN 70 Cb 0.45 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.57 1jy2 h ASN 70 CO 0.01 0.94 -0.21 0.11 -1.65 0.00 0.00 177.43 176.64 1jy2 h LYS 71 N 0.86 0.85 -0.61 0.81 1.57 -1.01 -1.08 116.57 117.95 1jy2 h LYS 71 Ca 0.17 -0.34 -0.06 0.00 -1.87 0.00 0.00 60.65 58.55 1jy2 h LYS 71 Cb 0.47 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 1jy2 h LYS 71 CO 0.02 0.97 0.16 -0.07 -0.57 0.00 0.00 179.45 179.97 1jy2 h LEU 72 N 0.74 0.92 -0.66 2.94 3.38 -0.91 -2.01 115.31 119.70 1jy2 h LEU 72 Ca 0.10 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1jy2 h LEU 72 Cb 0.74 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1jy2 h LEU 72 CO 0.06 0.90 0.35 0.03 0.09 0.00 0.00 178.44 179.87 1jy2 h ARG 73 N 0.89 0.93 0.00 1.13 3.08 -0.96 -2.48 114.38 116.98 1jy2 h ARG 73 Ca 0.19 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 1jy2 h ARG 73 Cb 0.33 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 1jy2 h ARG 73 CO -0.00 0.71 -0.09 -0.44 -1.07 0.00 0.00 179.97 179.08 1jy2 h ASP 74 N 0.91 0.00 1.55 7.04 3.32 -0.80 -1.85 116.42 126.59 1jy2 h ASP 74 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1jy2 h ASP 74 Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1jy2 h ASP 74 CO -0.04 0.09 -0.18 0.77 -1.72 0.00 0.00 179.24 178.17 1jy2 h SER 75 N 0.00 0.00 0.15 6.45 4.64 -0.92 -3.32 113.55 120.55 1jy2 h SER 75 Ca -0.00 -0.03 -0.35 0.00 -0.47 0.00 0.00 61.79 60.94 1jy2 h SER 75 Cb 0.20 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.22 1jy2 h SER 75 CO 0.01 0.01 -2.18 0.18 -0.87 0.00 0.00 176.83 173.98 1jy2 n LEU 76 N -2.61 0.48 0.00 5.97 4.77 -0.87 -5.11 117.00 119.63 1jy2 n LEU 76 Ca 0.04 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1jy2 n LEU 76 Cb 0.48 0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.86 1jy2 n LEU 76 CO 0.34 0.50 0.00 2.22 -1.33 0.00 0.00 177.39 179.11