#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ywi n MET 16 N 0.00 -1.31 -4.39 1.43 2.81 -1.26 -4.76 117.12 109.64 1ywi n MET 16 Ca 0.00 1.24 -0.20 0.00 -1.81 0.00 0.00 57.70 56.93 1ywi n MET 16 Cb 0.00 -5.21 -0.10 0.00 -0.71 0.00 0.00 33.22 27.19 1ywi n MET 16 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1ywi s TRP 17 N -3.07 1.80 -0.02 2.03 0.52 -1.26 -1.98 118.94 116.95 1ywi s TRP 17 Ca 0.08 -0.78 0.04 0.00 0.02 0.00 0.00 56.10 55.46 1ywi s TRP 17 Cb -0.01 -1.03 -0.01 0.00 -1.15 0.00 0.00 33.47 31.27 1ywi s TRP 17 CO 0.65 0.16 -0.14 0.95 0.02 0.00 0.00 176.95 178.59 1ywi s THR 18 N -3.17 1.13 -0.18 2.01 -4.23 -0.01 -4.93 115.64 106.26 1ywi s THR 18 Ca 0.29 -0.58 -0.07 0.00 -1.18 0.00 0.00 61.69 60.15 1ywi s THR 18 Cb 0.05 -0.96 -0.04 0.00 1.34 0.00 0.00 72.50 72.89 1ywi s THR 18 CO 0.11 0.33 0.05 -0.70 -0.54 0.00 0.00 174.62 173.86 1ywi s GLU 19 N -0.14 3.92 0.12 3.99 2.12 -1.26 -1.66 118.70 125.79 1ywi s GLU 19 Ca 0.02 -0.38 -0.09 0.00 0.36 0.00 0.00 54.97 54.88 1ywi s GLU 19 Cb -0.08 -3.17 -0.00 0.00 0.26 0.00 0.00 34.13 31.14 1ywi s GLU 19 CO 0.00 0.26 0.24 -1.01 -0.54 0.00 0.00 175.26 174.21 1ywi s HIS 20 N 0.40 0.24 -0.26 5.30 3.76 -0.60 -5.04 115.29 119.08 1ywi s HIS 20 Ca 0.02 -0.63 0.01 0.00 -0.15 0.00 0.00 55.06 54.31 1ywi s HIS 20 Cb -0.13 -0.04 0.05 0.00 1.11 0.00 0.00 32.58 33.57 1ywi s HIS 20 CO 0.01 -0.63 -0.08 0.15 -0.85 0.00 0.00 174.74 173.33 1ywi s LYS 21 N -3.90 2.38 0.43 1.40 1.02 -1.26 -0.57 119.74 119.24 1ywi s LYS 21 Ca 0.10 -1.27 -0.24 0.00 0.02 0.00 0.00 55.97 54.58 1ywi s LYS 21 Cb 0.04 -2.95 -0.10 0.00 -0.52 0.00 0.00 37.83 34.30 1ywi s LYS 21 CO -0.06 -0.55 1.01 0.45 -0.92 0.00 0.00 175.35 175.28 1ywi n SER 22 N 4.51 1.24 0.32 2.83 2.88 0.32 -4.79 113.62 120.93 1ywi n SER 22 Ca -0.14 1.02 0.20 0.00 -1.33 0.00 0.00 58.87 58.62 1ywi n SER 22 Cb 0.43 -1.35 1.07 0.00 -0.75 0.00 0.00 64.21 63.61 1ywi n SER 22 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1ywi h PRO 23 N 1.50 0.00 -0.17 -1.46 0.11 -1.99 0.47 132.00 130.46 1ywi h PRO 23 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1ywi h PRO 23 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1ywi h PRO 23 CO 0.57 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.11 1ywi n ASP 24 N -2.95 0.20 -0.35 -2.05 9.92 -1.26 -4.81 116.55 115.26 1ywi n ASP 24 Ca -0.03 -2.00 -0.02 0.00 -0.53 0.00 0.00 54.79 52.22 1ywi n ASP 24 Cb 0.14 -0.09 0.00 0.00 -0.64 0.00 0.00 41.12 40.53 1ywi n ASP 24 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ywi n GLY 25 N 0.43 0.48 3.62 0.44 0.00 0.10 -5.06 105.19 105.20 1ywi n GLY 25 Ca 0.00 -0.76 -0.25 0.00 0.00 0.00 0.00 46.02 45.01 1ywi n GLY 25 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ywi s ARG 26 N -4.40 2.01 -0.35 1.61 1.81 -0.86 -4.95 118.95 113.83 1ywi s ARG 26 Ca 0.01 -1.84 -0.01 0.00 -1.72 0.00 0.00 55.73 52.17 1ywi s ARG 26 Cb -0.01 -1.85 0.08 0.00 -0.45 0.00 0.00 34.95 32.73 1ywi s ARG 26 CO 0.02 0.10 0.08 0.99 -0.68 0.00 0.00 175.30 175.80 1ywi s THR 27 N -2.57 2.92 0.24 0.02 2.01 -1.26 0.12 115.64 117.12 1ywi s THR 27 Ca 0.35 -1.83 0.08 0.00 0.31 0.00 0.00 61.69 60.59 1ywi s THR 27 Cb 0.02 -2.89 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 1ywi s THR 27 CO 0.19 -0.42 0.12 -0.72 -0.69 0.00 0.00 174.62 173.10 1ywi s TYR 28 N 1.14 2.97 0.11 4.92 1.13 0.26 -4.02 117.35 123.86 1ywi s TYR 28 Ca 0.03 -0.14 0.06 0.00 -1.41 0.00 0.00 57.07 55.61 1ywi s TYR 28 Cb -0.21 -1.34 -0.04 0.00 -1.10 0.00 0.00 41.96 39.27 1ywi s TYR 28 CO -0.04 0.55 -0.16 0.71 -2.51 0.00 0.00 175.55 174.11 1ywi s TYR 29 N -2.14 1.47 -0.08 -3.49 1.51 -0.75 -1.56 117.35 112.32 1ywi s TYR 29 Ca 0.32 -0.50 0.01 0.00 -1.01 0.00 0.00 57.07 55.88 1ywi s TYR 29 Cb -0.08 -0.78 0.02 0.00 -0.11 0.00 0.00 41.96 41.01 1ywi s TYR 29 CO 0.23 0.16 -0.07 -0.47 -1.11 0.00 0.00 175.55 174.28 1ywi s TYR 30 N -1.77 1.25 -0.01 2.71 6.14 -0.67 -1.02 117.35 123.98 1ywi s TYR 30 Ca 0.07 -0.52 -0.24 0.00 0.64 0.00 0.00 57.07 57.02 1ywi s TYR 30 Cb -0.07 -1.03 -0.05 0.00 0.42 0.00 0.00 41.96 41.23 1ywi s TYR 30 CO 0.03 -0.36 0.72 1.21 0.64 0.00 0.00 175.55 177.79 1ywi s ASN 31 N 1.29 7.10 0.01 4.32 2.47 -0.15 -0.83 114.94 129.14 1ywi s ASN 31 Ca -0.04 1.32 0.23 0.00 0.42 0.00 0.00 52.86 54.79 1ywi s ASN 31 Cb -0.14 -2.44 0.12 0.00 -1.45 0.00 0.00 41.25 37.35 1ywi s ASN 31 CO -0.03 -0.03 1.13 1.07 -3.72 0.00 0.00 177.10 175.52 1ywi n THR 32 N 3.20 0.04 0.11 -5.21 5.66 -0.84 -1.77 114.28 115.47 1ywi n THR 32 Ca -0.02 -0.06 -0.05 0.00 -3.05 0.00 0.00 64.05 60.87 1ywi n THR 32 Cb 0.51 0.52 -0.02 0.00 -1.55 0.00 0.00 70.33 69.78 1ywi n THR 32 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 1ywi h GLU 33 N 0.00 -0.31 0.00 1.09 5.08 -1.86 -3.33 114.58 115.25 1ywi h GLU 33 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1ywi h GLU 33 Cb 0.56 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1ywi h GLU 33 CO 0.00 -0.20 -0.48 1.15 -1.00 0.00 0.00 179.01 178.48 1ywi h THR 34 N -0.56 0.00 -4.26 1.13 2.02 -1.94 -3.49 112.91 105.82 1ywi h THR 34 Ca -0.03 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.61 1ywi h THR 34 Cb 0.24 1.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1ywi h THR 34 CO 0.05 0.00 -0.20 0.29 0.37 0.00 0.00 175.52 176.04 1ywi n LYS 35 N -2.22 -1.15 -3.65 6.66 5.02 -1.00 -5.09 118.16 116.73 1ywi n LYS 35 Ca 0.04 1.30 -0.10 0.00 -2.02 0.00 0.00 58.31 57.52 1ywi n LYS 35 Cb 0.45 -3.80 -0.04 0.00 -0.02 0.00 0.00 35.03 31.61 1ywi n LYS 35 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1ywi s GLN 36 N -2.19 1.17 -0.08 1.97 0.00 -0.73 -5.00 119.66 114.81 1ywi s GLN 36 Ca 0.10 -0.75 -0.01 0.00 -0.00 0.00 0.00 55.36 54.70 1ywi s GLN 36 Cb -0.03 0.49 -0.03 0.00 0.00 0.00 0.00 33.01 33.44 1ywi s GLN 36 CO 0.42 -0.47 -0.01 -1.12 0.00 0.00 0.00 175.29 174.10 1ywi s SER 37 N -2.82 5.10 0.10 12.60 0.01 -1.26 -0.98 113.70 126.44 1ywi s SER 37 Ca 0.05 0.10 -0.05 0.00 1.31 0.00 0.00 55.95 57.36 1ywi s SER 37 Cb 0.01 -1.41 -0.02 0.00 0.21 0.00 0.00 66.02 64.81 1ywi s SER 37 CO -0.09 0.37 0.12 0.28 0.41 0.00 0.00 173.24 174.33 1ywi s THR 38 N -0.85 0.14 0.33 1.44 -1.32 -0.19 -5.00 115.64 110.20 1ywi s THR 38 Ca 0.13 -1.52 0.07 0.00 -1.21 0.00 0.00 61.69 59.15 1ywi s THR 38 Cb -0.11 -1.60 -0.02 0.00 -1.51 0.00 0.00 72.50 69.25 1ywi s THR 38 CO 0.02 -0.66 0.35 0.26 -2.21 0.00 0.00 174.62 172.38 1ywi s TRP 39 N -3.93 2.99 0.39 9.09 0.52 -1.26 -1.81 118.94 124.93 1ywi s TRP 39 Ca 0.11 -0.26 0.00 0.00 0.02 0.00 0.00 56.10 55.97 1ywi s TRP 39 Cb 0.06 -1.84 0.00 0.00 -1.15 0.00 0.00 33.47 30.54 1ywi s TRP 39 CO -0.07 0.14 0.00 -1.91 0.02 0.00 0.00 176.95 175.13 1ywi n GLU 40 N -1.45 -3.68 -2.11 4.98 2.13 -1.26 -4.87 120.64 114.38 1ywi n GLU 40 Ca -0.02 2.73 -0.40 0.00 0.66 0.00 0.00 57.16 60.13 1ywi n GLU 40 Cb 0.59 -3.05 -0.02 0.00 0.27 0.00 0.00 31.44 29.23 1ywi n GLU 40 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 1ywi s LYS 41 N -3.92 4.28 0.00 5.31 -2.85 -1.26 -4.71 119.74 116.59 1ywi s LYS 41 Ca 0.00 2.20 0.29 0.00 -1.00 0.00 0.00 55.97 57.46 1ywi s LYS 41 Cb 0.00 -3.01 1.31 0.00 -2.06 0.00 0.00 37.83 34.07 1ywi s LYS 41 CO 0.00 -0.24 1.89 -0.35 0.10 0.00 0.00 175.35 176.75