#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 -2.18 -4.31 1.43 0.00 -1.26 -4.81 117.12 105.99 1ywi n MET 16 Ca 0.00 0.57 -0.18 0.00 0.00 0.00 0.00 57.70 58.09 1ywi n MET 16 Cb 0.00 -4.43 -0.14 0.00 0.00 0.00 0.00 33.22 28.65 1ywi n MET 16 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 1ywi s TRP 17 N -3.25 0.77 -0.03 2.03 0.52 -1.26 -1.75 118.94 115.97 1ywi s TRP 17 Ca 0.23 -0.17 0.02 0.00 0.02 0.00 0.00 56.10 56.20 1ywi s TRP 17 Cb -0.03 -0.49 -0.03 0.00 -1.15 0.00 0.00 33.47 31.77 1ywi s TRP 17 CO 0.48 -0.01 -0.07 0.95 0.02 0.00 0.00 176.95 178.32 1ywi s THR 18 N -0.30 3.65 -0.17 2.01 -4.23 -0.65 -4.96 115.64 110.99 1ywi s THR 18 Ca 0.02 -0.65 -0.07 0.00 -1.18 0.00 0.00 61.69 59.82 1ywi s THR 18 Cb -0.04 -2.54 -0.04 0.00 1.34 0.00 0.00 72.50 71.22 1ywi s THR 18 CO -0.00 0.49 0.05 -0.70 -0.54 0.00 0.00 174.62 173.91 1ywi s GLU 19 N -1.14 3.88 0.05 3.99 2.12 -1.26 -1.80 118.70 124.54 1ywi s GLU 19 Ca 0.15 -0.36 -0.11 0.00 0.36 0.00 0.00 54.97 55.01 1ywi s GLU 19 Cb -0.11 -3.16 0.01 0.00 0.26 0.00 0.00 34.13 31.13 1ywi s GLU 19 CO 0.05 0.31 0.23 -1.01 -0.54 0.00 0.00 175.26 174.29 1ywi s HIS 20 N 0.27 0.02 -0.35 5.30 3.76 -0.71 -5.02 115.29 118.55 1ywi s HIS 20 Ca 0.03 -0.23 -0.05 0.00 -0.15 0.00 0.00 55.06 54.65 1ywi s HIS 20 Cb -0.12 0.01 0.06 0.00 1.11 0.00 0.00 32.58 33.63 1ywi s HIS 20 CO 0.01 -0.47 0.11 0.21 -0.85 0.00 0.00 174.74 173.75 1ywi s LYS 21 N -2.71 2.50 0.11 1.40 2.20 -1.26 -0.63 119.74 121.34 1ywi s LYS 21 Ca -0.04 -1.32 -0.35 0.00 -0.36 0.00 0.00 55.97 53.90 1ywi s LYS 21 Cb -0.00 -3.45 -0.17 0.00 -1.51 0.00 0.00 37.83 32.69 1ywi s LYS 21 CO -0.05 -0.74 1.16 0.45 -0.36 0.00 0.00 175.35 175.81 1ywi n SER 22 N 4.76 0.96 -0.27 1.43 2.88 0.53 -4.79 113.62 119.11 1ywi n SER 22 Ca -0.11 1.14 0.17 0.00 -1.33 0.00 0.00 58.87 58.73 1ywi n SER 22 Cb 0.44 -1.12 0.45 0.00 -0.75 0.00 0.00 64.21 63.23 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 3.52 0.51 -0.28 -1.46 0.11 -1.98 0.24 132.00 132.66 1ywi h PRO 23 Ca -0.45 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 65.71 1ywi h PRO 23 Cb 1.37 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1ywi h PRO 23 CO 0.71 0.34 0.24 0.22 -0.21 0.00 0.00 178.00 179.29 1ywi h ASP 24 N 0.53 0.00 0.00 -2.05 1.82 -2.05 -3.44 116.42 111.22 1ywi h ASP 24 Ca 0.49 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.13 1ywi h ASP 24 Cb 1.04 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.05 1ywi h ASP 24 CO -0.22 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.02 1ywi n GLY 25 N -1.51 1.50 3.43 -0.78 0.00 0.80 -5.15 105.19 103.47 1ywi n GLY 25 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 1.56 -0.42 1.61 1.81 -0.87 -4.96 118.95 117.69 1ywi s ARG 26 Ca 0.00 -1.81 -0.08 0.00 -1.72 0.00 0.00 55.73 52.12 1ywi s ARG 26 Cb 0.00 -1.03 0.08 0.00 -0.45 0.00 0.00 34.95 33.55 1ywi s ARG 26 CO 0.00 -0.04 0.25 0.99 -0.68 0.00 0.00 175.30 175.82 1ywi s THR 27 N -3.12 4.09 0.31 0.02 2.01 -1.26 0.20 115.64 117.88 1ywi s THR 27 Ca 0.31 -1.48 0.07 0.00 0.31 0.00 0.00 61.69 60.90 1ywi s THR 27 Cb 0.05 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 69.00 1ywi s THR 27 CO 0.12 -0.52 0.25 -0.72 -0.69 0.00 0.00 174.62 173.06 1ywi s TYR 28 N 1.39 2.96 0.09 4.92 -0.85 0.19 -4.56 117.35 121.48 1ywi s TYR 28 Ca 0.03 -0.24 0.03 0.00 -0.52 0.00 0.00 57.07 56.38 1ywi s TYR 28 Cb -0.23 -1.65 -0.03 0.00 0.38 0.00 0.00 41.96 40.43 1ywi s TYR 28 CO 0.01 0.31 -0.10 0.71 -1.52 0.00 0.00 175.55 174.97 1ywi s TYR 29 N -2.26 1.00 -0.21 -3.49 1.51 -0.86 -1.73 117.35 111.32 1ywi s TYR 29 Ca 0.38 -0.64 0.01 0.00 -1.01 0.00 0.00 57.07 55.81 1ywi s TYR 29 Cb -0.06 -0.56 0.04 0.00 -0.11 0.00 0.00 41.96 41.27 1ywi s TYR 29 CO 0.26 -0.02 -0.12 -0.47 -1.11 0.00 0.00 175.55 174.09 1ywi s TYR 30 N -2.30 2.59 -0.21 2.71 6.14 -0.74 -1.59 117.35 123.94 1ywi s TYR 30 Ca 0.03 -1.71 -0.29 0.00 0.64 0.00 0.00 57.07 55.74 1ywi s TYR 30 Cb -0.04 -1.72 -0.00 0.00 0.42 0.00 0.00 41.96 40.63 1ywi s TYR 30 CO -0.00 -0.77 1.16 1.21 0.64 0.00 0.00 175.55 177.78 1ywi s ASN 31 N 1.34 7.00 0.11 4.32 2.47 0.10 -1.63 114.94 128.65 1ywi s ASN 31 Ca -0.02 1.50 0.25 0.00 0.42 0.00 0.00 52.86 55.01 1ywi s ASN 31 Cb -0.16 -2.54 0.44 0.00 -1.45 0.00 0.00 41.25 37.54 1ywi s ASN 31 CO -0.08 -0.74 1.40 1.07 -3.72 0.00 0.00 177.10 175.02 1ywi n THR 32 N 5.41 0.33 0.05 -5.21 5.66 -0.72 -1.14 114.28 118.67 1ywi n THR 32 Ca 0.13 -0.24 -0.11 0.00 -3.05 0.00 0.00 64.05 60.79 1ywi n THR 32 Cb 0.46 -0.15 -0.08 0.00 -1.55 0.00 0.00 70.33 69.01 1ywi n THR 32 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 1ywi h GLU 33 N 0.00 -0.21 0.00 1.09 4.22 -1.87 -3.32 114.58 114.49 1ywi h GLU 33 Ca 0.00 0.01 -0.06 0.00 0.08 0.00 0.00 59.36 59.39 1ywi h GLU 33 Cb 0.71 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1ywi h GLU 33 CO 0.00 0.22 -0.87 1.15 -2.18 0.00 0.00 179.01 177.33 1ywi h THR 34 N -0.87 0.26 -3.88 0.32 2.02 -1.91 -3.49 112.91 105.37 1ywi h THR 34 Ca -0.02 -1.45 -0.04 0.00 0.77 0.00 0.00 66.41 65.67 1ywi h THR 34 Cb 0.52 1.87 0.04 0.00 -1.74 0.00 0.00 68.15 68.83 1ywi h THR 34 CO 0.04 0.15 -0.15 0.29 0.37 0.00 0.00 175.52 176.21 1ywi n LYS 35 N -2.89 -0.64 -3.65 6.66 5.02 -0.29 -5.08 118.16 117.28 1ywi n LYS 35 Ca -0.02 0.60 -0.09 0.00 -2.02 0.00 0.00 58.31 56.78 1ywi n LYS 35 Cb 0.65 -3.07 -0.02 0.00 -0.02 0.00 0.00 35.03 32.57 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 -3.24 1.53 -0.05 1.97 -2.07 -0.63 -5.01 119.66 112.16 1ywi s GLN 36 Ca 0.08 -0.74 -0.02 0.00 -1.82 0.00 0.00 55.36 52.87 1ywi s GLN 36 Cb -0.01 0.59 -0.04 0.00 -1.09 0.00 0.00 33.01 32.47 1ywi s GLN 36 CO 0.27 -0.69 0.06 -1.12 -1.32 0.00 0.00 175.29 172.49 1ywi s SER 37 N -2.84 5.58 0.19 12.60 0.01 -1.26 -0.73 113.70 127.26 1ywi s SER 37 Ca 0.06 0.18 -0.15 0.00 1.31 0.00 0.00 55.95 57.35 1ywi s SER 37 Cb -0.04 -1.62 0.02 0.00 0.21 0.00 0.00 66.02 64.60 1ywi s SER 37 CO -0.02 0.33 0.47 0.28 0.41 0.00 0.00 173.24 174.70 1ywi s THR 38 N -1.06 0.03 -0.47 1.44 -1.32 -0.62 -4.97 115.64 108.67 1ywi s THR 38 Ca 0.18 -0.96 -0.12 0.00 -1.21 0.00 0.00 61.69 59.59 1ywi s THR 38 Cb -0.12 -1.67 0.10 0.00 -1.51 0.00 0.00 72.50 69.30 1ywi s THR 38 CO 0.08 -0.16 0.36 0.26 -2.21 0.00 0.00 174.62 172.96 1ywi s TRP 39 N -3.90 3.33 0.00 9.09 0.52 -1.26 -2.03 118.94 124.69 1ywi s TRP 39 Ca 0.12 -1.49 0.00 0.00 0.02 0.00 0.00 56.10 54.75 1ywi s TRP 39 Cb -0.00 -3.34 0.00 0.00 -1.15 0.00 0.00 33.47 28.98 1ywi s TRP 39 CO -0.02 -0.92 0.00 -1.91 0.02 0.00 0.00 176.95 174.12 1ywi n GLU 40 N 5.03 0.00 -3.30 4.98 4.07 -1.26 -5.02 120.64 125.14 1ywi n GLU 40 Ca -0.11 0.00 -0.38 0.00 -0.06 0.00 0.00 57.16 56.61 1ywi n GLU 40 Cb 0.42 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.73 1ywi n GLU 40 CO 0.00 0.00 0.00 -1.59 -0.06 0.00 0.00 177.13 175.48 1ywi s LYS 41 N -0.33 4.28 0.00 5.31 -2.85 -1.26 -4.56 119.74 120.33 1ywi s LYS 41 Ca 0.00 0.43 0.27 0.00 -1.00 0.00 0.00 55.97 55.67 1ywi s LYS 41 Cb 0.00 -3.48 1.62 0.00 -2.06 0.00 0.00 37.83 33.91 1ywi s LYS 41 CO 0.00 0.05 1.96 -0.35 0.10 0.00 0.00 175.35 177.11