#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 -0.90 -4.34 -1.46 0.00 -1.26 -4.85 117.12 104.31 1ywi n MET 16 Ca 0.00 0.46 -0.19 0.00 0.00 0.00 0.00 57.70 57.96 1ywi n MET 16 Cb 0.00 -3.35 -0.13 0.00 0.00 0.00 0.00 33.22 29.73 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 -3.14 1.11 0.00 2.03 0.52 -1.26 -1.96 118.94 116.24 1ywi s TRP 17 Ca 0.17 -0.33 0.01 0.00 0.02 0.00 0.00 56.10 55.97 1ywi s TRP 17 Cb -0.02 -0.67 -0.04 0.00 -1.15 0.00 0.00 33.47 31.59 1ywi s TRP 17 CO 0.32 0.02 0.02 0.95 0.02 0.00 0.00 176.95 178.27 1ywi s THR 18 N -0.78 4.26 -0.20 2.01 -4.23 -0.44 -4.93 115.64 111.31 1ywi s THR 18 Ca 0.01 -0.58 -0.07 0.00 -1.18 0.00 0.00 61.69 59.87 1ywi s THR 18 Cb -0.07 -2.91 -0.04 0.00 1.34 0.00 0.00 72.50 70.82 1ywi s THR 18 CO 0.01 0.36 0.07 -0.70 -0.54 0.00 0.00 174.62 173.82 1ywi s GLU 19 N -1.62 3.88 0.08 3.99 2.12 -1.26 -1.76 118.70 124.13 1ywi s GLU 19 Ca 0.20 -0.38 -0.05 0.00 0.36 0.00 0.00 54.97 55.10 1ywi s GLU 19 Cb -0.12 -3.26 -0.02 0.00 0.26 0.00 0.00 34.13 30.99 1ywi s GLU 19 CO 0.11 0.12 0.10 -1.01 -0.54 0.00 0.00 175.26 174.05 1ywi s HIS 20 N 0.79 0.35 -0.36 5.30 3.76 -0.59 -5.03 115.29 119.50 1ywi s HIS 20 Ca 0.04 -0.82 -0.04 0.00 -0.15 0.00 0.00 55.06 54.09 1ywi s HIS 20 Cb -0.13 -0.21 0.08 0.00 1.11 0.00 0.00 32.58 33.42 1ywi s HIS 20 CO 0.02 -0.49 0.13 0.21 -0.85 0.00 0.00 174.74 173.76 1ywi s LYS 21 N -3.90 2.31 0.28 1.40 2.20 -1.26 -0.81 119.74 119.95 1ywi s LYS 21 Ca 0.08 -1.50 -0.28 0.00 -0.36 0.00 0.00 55.97 53.91 1ywi s LYS 21 Cb 0.06 -3.46 -0.15 0.00 -1.51 0.00 0.00 37.83 32.78 1ywi s LYS 21 CO -0.09 -0.85 0.88 0.45 -0.36 0.00 0.00 175.35 175.38 1ywi n SER 22 N 4.68 0.62 0.28 1.43 2.88 0.48 -4.78 113.62 119.20 1ywi n SER 22 Ca -0.08 1.15 0.19 0.00 -1.33 0.00 0.00 58.87 58.80 1ywi n SER 22 Cb 0.43 -1.21 1.01 0.00 -0.75 0.00 0.00 64.21 63.69 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 1.69 0.00 -0.55 -1.46 0.11 -1.98 -0.40 132.00 129.41 1ywi h PRO 23 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1ywi h PRO 23 Cb 1.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.48 1ywi h PRO 23 CO 0.59 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.13 1ywi n ASP 24 N -2.81 1.01 -0.64 -2.05 8.00 -1.26 -4.81 116.55 113.99 1ywi n ASP 24 Ca -0.02 -2.05 -0.04 0.00 0.71 0.00 0.00 54.79 53.38 1ywi n ASP 24 Cb 0.07 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 1ywi n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ywi n GLY 25 N 0.32 0.40 3.50 0.44 0.00 -0.22 -5.05 105.19 104.59 1ywi n GLY 25 Ca 0.03 -0.66 -0.24 0.00 0.00 0.00 0.00 46.02 45.15 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 -4.57 1.73 -0.36 1.61 1.81 -0.84 -4.96 118.95 113.37 1ywi s ARG 26 Ca 0.04 -1.90 -0.05 0.00 -1.72 0.00 0.00 55.73 52.10 1ywi s ARG 26 Cb -0.02 -1.43 0.07 0.00 -0.45 0.00 0.00 34.95 33.12 1ywi s ARG 26 CO 0.05 0.05 0.12 0.99 -0.68 0.00 0.00 175.30 175.83 1ywi s THR 27 N -2.82 3.48 0.31 0.02 2.01 -1.26 0.18 115.64 117.56 1ywi s THR 27 Ca 0.32 -1.48 0.09 0.00 0.31 0.00 0.00 61.69 60.93 1ywi s THR 27 Cb 0.04 -3.11 -0.04 0.00 0.01 0.00 0.00 72.50 69.40 1ywi s THR 27 CO 0.15 -0.33 0.10 -0.72 -0.69 0.00 0.00 174.62 173.13 1ywi s TYR 28 N 1.29 2.74 0.10 4.92 1.13 0.01 -4.00 117.35 123.55 1ywi s TYR 28 Ca 0.00 -0.31 0.06 0.00 -1.41 0.00 0.00 57.07 55.42 1ywi s TYR 28 Cb -0.21 -1.48 -0.03 0.00 -1.10 0.00 0.00 41.96 39.13 1ywi s TYR 28 CO -0.00 0.44 -0.15 0.71 -2.51 0.00 0.00 175.55 174.03 1ywi s TYR 29 N -2.37 1.42 -0.19 -3.49 1.51 -0.81 -1.55 117.35 111.87 1ywi s TYR 29 Ca 0.35 -0.50 0.01 0.00 -1.01 0.00 0.00 57.07 55.92 1ywi s TYR 29 Cb -0.04 -0.76 0.04 0.00 -0.11 0.00 0.00 41.96 41.09 1ywi s TYR 29 CO 0.22 0.13 -0.10 -0.47 -1.11 0.00 0.00 175.55 174.22 1ywi s TYR 30 N -1.71 2.27 0.01 2.71 6.14 -0.72 -1.07 117.35 124.98 1ywi s TYR 30 Ca 0.05 -1.47 -0.30 0.00 0.64 0.00 0.00 57.07 55.99 1ywi s TYR 30 Cb -0.07 -1.58 -0.05 0.00 0.42 0.00 0.00 41.96 40.67 1ywi s TYR 30 CO 0.03 -0.72 1.28 1.21 0.64 0.00 0.00 175.55 178.00 1ywi s ASN 31 N 1.44 6.97 -0.01 4.32 3.84 0.25 -1.33 114.94 130.43 1ywi s ASN 31 Ca -0.00 2.01 0.03 0.00 0.21 0.00 0.00 52.86 55.11 1ywi s ASN 31 Cb -0.16 -2.57 -0.25 0.00 -0.55 0.00 0.00 41.25 37.72 1ywi s ASN 31 CO -0.08 -0.60 0.81 0.00 -2.79 0.00 0.00 177.10 174.43 1ywi h THR 32 N 4.78 1.08 0.50 -5.21 1.03 -1.69 -1.64 112.91 111.76 1ywi h THR 32 Ca -0.38 -2.81 -0.02 0.00 -0.01 0.00 0.00 66.41 63.19 1ywi h THR 32 Cb 1.19 2.64 0.00 0.00 -1.07 0.00 0.00 68.15 70.91 1ywi h THR 32 CO 0.87 0.75 -0.24 -0.33 -0.01 0.00 0.00 175.52 176.56 1ywi h GLU 33 N 0.04 -0.65 0.00 0.00 4.39 -1.89 -3.20 114.58 113.26 1ywi h GLU 33 Ca -0.24 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.50 1ywi h GLU 33 Cb 1.98 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 30.78 1ywi h GLU 33 CO 0.12 -0.43 0.00 1.15 -1.16 0.00 0.00 179.01 178.69 1ywi h THR 34 N -1.01 0.00 -5.22 1.13 2.02 -1.91 -3.47 112.91 104.45 1ywi h THR 34 Ca -0.07 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.53 1ywi h THR 34 Cb 0.52 1.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.51 1ywi h THR 34 CO 0.11 0.00 -0.06 0.29 0.37 0.00 0.00 175.52 176.23 1ywi n LYS 35 N -3.08 -1.37 -3.66 6.66 5.02 -0.70 -5.05 118.16 115.97 1ywi n LYS 35 Ca 0.01 1.52 -0.09 0.00 -2.02 0.00 0.00 58.31 57.73 1ywi n LYS 35 Cb 0.34 -5.52 -0.02 0.00 -0.02 0.00 0.00 35.03 29.81 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 -2.94 1.51 -0.17 1.97 1.03 -0.73 -4.99 119.66 115.35 1ywi s GLN 36 Ca 0.03 -0.76 -0.06 0.00 0.04 0.00 0.00 55.36 54.60 1ywi s GLN 36 Cb -0.01 0.58 -0.04 0.00 0.03 0.00 0.00 33.01 33.58 1ywi s GLN 36 CO 0.71 -0.67 0.04 -1.12 -2.54 0.00 0.00 175.29 171.71 1ywi s SER 37 N -2.85 5.51 0.13 12.60 0.01 -1.26 -0.58 113.70 127.26 1ywi s SER 37 Ca 0.07 0.08 0.05 0.00 1.31 0.00 0.00 55.95 57.45 1ywi s SER 37 Cb -0.03 -1.90 -0.04 0.00 0.21 0.00 0.00 66.02 64.26 1ywi s SER 37 CO -0.03 0.20 -0.11 0.28 0.41 0.00 0.00 173.24 174.00 1ywi s THR 38 N 0.18 1.16 0.08 1.44 -1.32 -0.24 -4.99 115.64 111.95 1ywi s THR 38 Ca 0.03 -1.87 0.02 0.00 -1.21 0.00 0.00 61.69 58.66 1ywi s THR 38 Cb -0.12 -1.65 -0.04 0.00 -1.51 0.00 0.00 72.50 69.18 1ywi s THR 38 CO 0.01 -0.62 0.12 0.26 -2.21 0.00 0.00 174.62 172.18 1ywi s TRP 39 N -2.81 3.27 0.50 9.09 0.52 -1.26 -1.92 118.94 126.33 1ywi s TRP 39 Ca 0.12 0.11 0.00 0.00 0.02 0.00 0.00 56.10 56.35 1ywi s TRP 39 Cb -0.01 -1.65 0.00 0.00 -1.15 0.00 0.00 33.47 30.67 1ywi s TRP 39 CO 0.01 0.54 0.00 -1.91 0.02 0.00 0.00 176.95 175.61 1ywi n GLU 40 N 0.34 -3.60 -1.51 4.98 2.13 -1.26 -4.83 120.64 116.89 1ywi n GLU 40 Ca -0.08 2.78 -0.43 0.00 0.66 0.00 0.00 57.16 60.10 1ywi n GLU 40 Cb 0.52 -3.44 -0.00 0.00 0.27 0.00 0.00 31.44 28.79 1ywi n GLU 40 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1ywi n LYS 41 N -2.28 0.86 0.00 5.31 4.01 -1.26 -4.76 118.16 120.05 1ywi n LYS 41 Ca 0.00 0.31 0.16 0.00 -0.51 0.00 0.00 58.31 58.27 1ywi n LYS 41 Cb 0.37 -1.64 0.94 0.00 -0.51 0.00 0.00 35.03 34.20 1ywi n LYS 41 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94