#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wr3 h SER 2 N 0.00 -0.17 -3.33 1.61 0.02 -1.97 -3.42 113.55 106.29 1wr3 h SER 2 Ca 0.00 -0.34 -0.53 0.00 -0.84 0.00 0.00 61.79 60.08 1wr3 h SER 2 Cb 0.00 0.04 0.01 0.00 0.14 0.00 0.00 62.40 62.60 1wr3 h SER 2 CO 0.00 0.29 0.57 -2.84 -1.14 0.00 0.00 176.83 173.71 1wr3 s PRO 3 N -4.17 4.46 0.59 3.45 0.02 -1.26 -4.93 135.00 133.16 1wr3 s PRO 3 Ca -0.14 1.84 0.32 0.00 0.02 0.00 0.00 61.00 63.04 1wr3 s PRO 3 Cb 0.02 -3.28 1.83 0.00 0.02 0.00 0.00 34.50 33.08 1wr3 s PRO 3 CO 0.57 -0.18 2.22 -1.35 -0.33 0.00 0.00 177.00 177.94 1wr3 h PRO 4 N 5.99 0.00 -5.71 5.54 0.11 -1.97 -3.41 132.00 132.55 1wr3 h PRO 4 Ca -0.43 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.01 1wr3 h PRO 4 Cb 1.21 0.00 -0.25 0.00 0.11 0.00 0.00 31.00 32.08 1wr3 h PRO 4 CO 0.78 0.03 -0.75 -1.17 -0.21 0.00 0.00 178.00 176.68 1wr3 s LEU 5 N -7.19 2.80 0.71 2.35 2.96 -1.26 -4.77 118.68 114.28 1wr3 s LEU 5 Ca -0.04 -0.24 -0.14 0.00 -0.22 0.00 0.00 54.13 53.48 1wr3 s LEU 5 Cb 0.14 -1.61 0.03 0.00 0.50 0.00 0.00 46.19 45.25 1wr3 s LEU 5 CO 0.53 0.24 1.14 -2.84 -1.32 0.00 0.00 176.35 174.10 1wr3 s PRO 6 N -0.10 2.40 -0.36 0.98 0.02 -1.26 -4.89 135.00 131.79 1wr3 s PRO 6 Ca -0.01 1.50 -0.27 0.00 0.02 0.00 0.00 61.00 62.23 1wr3 s PRO 6 Cb -0.14 -1.89 -0.06 0.00 0.02 0.00 0.00 34.50 32.44 1wr3 s PRO 6 CO 0.03 -1.58 2.28 -2.14 -0.33 0.00 0.00 177.00 175.26 1wr3 s PRO 7 N -4.16 2.65 0.00 5.54 0.02 -1.26 -1.98 135.00 135.81 1wr3 s PRO 7 Ca 0.69 1.69 0.00 0.00 0.02 0.00 0.00 61.00 63.40 1wr3 s PRO 7 Cb -0.23 -4.47 0.00 0.00 0.02 0.00 0.00 34.50 29.82 1wr3 s PRO 7 CO 0.45 -2.65 0.00 0.41 -0.33 0.00 0.00 177.00 174.88 1wr3 n GLY 8 N 5.86 1.59 3.57 0.52 0.00 -1.26 -4.96 105.19 110.50 1wr3 n GLY 8 Ca 0.32 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.02 1wr3 n GLY 8 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1wr3 s TRP 9 N -2.00 2.87 -0.09 1.61 0.52 -0.84 0.10 118.94 121.11 1wr3 s TRP 9 Ca 0.00 -0.04 -0.01 0.00 0.02 0.00 0.00 56.10 56.07 1wr3 s TRP 9 Cb 0.00 -1.64 0.03 0.00 -1.15 0.00 0.00 33.47 30.70 1wr3 s TRP 9 CO 0.00 0.33 -0.04 -2.00 0.02 0.00 0.00 176.95 175.26 1wr3 s GLU 10 N -1.09 1.10 -0.36 4.98 2.12 -0.28 -4.90 118.70 120.27 1wr3 s GLU 10 Ca 0.14 -0.09 -0.29 0.00 0.36 0.00 0.00 54.97 55.10 1wr3 s GLU 10 Cb -0.11 -1.29 0.02 0.00 0.26 0.00 0.00 34.13 33.00 1wr3 s GLU 10 CO 0.04 -0.28 1.14 -2.00 -0.54 0.00 0.00 175.26 173.63 1wr3 s GLU 11 N 1.81 3.93 0.05 4.30 2.12 -1.26 0.11 118.70 129.76 1wr3 s GLU 11 Ca 0.05 0.96 0.04 0.00 0.36 0.00 0.00 54.97 56.37 1wr3 s GLU 11 Cb -0.12 -3.82 -0.03 0.00 0.26 0.00 0.00 34.13 30.42 1wr3 s GLU 11 CO -0.07 -1.10 -0.12 0.15 -0.54 0.00 0.00 175.26 173.59 1wr3 s LYS 12 N 4.01 0.75 -0.23 4.30 1.02 0.90 -4.98 119.74 125.50 1wr3 s LYS 12 Ca 0.48 -0.83 -0.09 0.00 0.02 0.00 0.00 55.97 55.56 1wr3 s LYS 12 Cb -0.12 -0.69 -0.04 0.00 -0.52 0.00 0.00 37.83 36.46 1wr3 s LYS 12 CO 0.22 0.15 0.12 0.08 -0.92 0.00 0.00 175.35 175.00 1wr3 s VAL 13 N -1.16 4.96 0.00 3.17 1.01 -1.26 0.71 120.40 127.83 1wr3 s VAL 13 Ca -0.03 0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.99 1wr3 s VAL 13 Cb -0.09 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1wr3 s VAL 13 CO 0.01 0.36 0.00 -0.67 0.00 0.00 0.00 175.10 174.80 1wr3 n ASP 14 N 4.37 0.00 -3.70 3.32 2.03 -1.08 -4.78 116.55 116.70 1wr3 n ASP 14 Ca -0.15 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.74 1wr3 n ASP 14 Cb 0.52 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.92 1wr3 n ASP 14 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1wr3 n ASN 15 N -0.86 4.09 -4.07 1.67 5.15 -1.26 -4.67 115.26 115.32 1wr3 n ASN 15 Ca 0.00 -2.82 -0.39 0.00 -0.60 0.00 0.00 54.58 50.77 1wr3 n ASN 15 Cb 0.00 -1.64 -0.01 0.00 -0.53 0.00 0.00 39.78 37.60 1wr3 n ASN 15 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1wr3 n LEU 16 N 6.00 -0.96 0.00 1.20 4.77 -1.26 -3.48 117.00 123.27 1wr3 n LEU 16 Ca 0.53 -1.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.28 1wr3 n LEU 16 Cb 0.38 -1.78 0.00 0.00 -2.33 0.00 0.00 43.42 39.69 1wr3 n LEU 16 CO 0.90 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 178.23 1wr3 n GLY 17 N -2.14 1.41 3.53 -0.72 0.00 -1.26 -5.09 105.19 100.92 1wr3 n GLY 17 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 1wr3 n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wr3 s ARG 18 N 0.00 3.37 -0.36 1.61 0.52 -1.23 -4.98 118.95 117.89 1wr3 s ARG 18 Ca 0.00 -0.17 -0.29 0.00 -0.52 0.00 0.00 55.73 54.75 1wr3 s ARG 18 Cb 0.00 -4.03 0.01 0.00 0.52 0.00 0.00 34.95 31.44 1wr3 s ARG 18 CO 0.00 -1.47 1.32 0.99 0.02 0.00 0.00 175.30 176.16 1wr3 s THR 19 N 4.02 4.07 0.18 0.02 2.01 -1.26 -2.65 115.64 122.03 1wr3 s THR 19 Ca 0.32 1.16 0.08 0.00 0.31 0.00 0.00 61.69 63.57 1wr3 s THR 19 Cb -0.12 -4.22 -0.04 0.00 0.01 0.00 0.00 72.50 68.13 1wr3 s THR 19 CO 0.21 -0.62 -0.03 -0.72 -0.69 0.00 0.00 174.62 172.76 1wr3 s TYR 20 N 4.73 2.78 -0.37 4.92 1.13 0.22 -4.63 117.35 126.12 1wr3 s TYR 20 Ca 0.57 -0.16 -0.03 0.00 -1.41 0.00 0.00 57.07 56.03 1wr3 s TYR 20 Cb -0.15 -1.35 0.09 0.00 -1.10 0.00 0.00 41.96 39.45 1wr3 s TYR 20 CO 0.27 0.52 0.14 0.71 -2.51 0.00 0.00 175.55 174.68 1wr3 s TYR 21 N -1.73 3.46 -0.46 -3.49 1.51 0.13 -0.07 117.35 116.70 1wr3 s TYR 21 Ca 0.27 -2.13 -0.21 0.00 -1.01 0.00 0.00 57.07 53.99 1wr3 s TYR 21 Cb -0.09 -2.82 0.03 0.00 -0.11 0.00 0.00 41.96 38.97 1wr3 s TYR 21 CO 0.17 -0.90 0.68 0.54 -1.11 0.00 0.00 175.55 174.93 1wr3 s VAL 22 N 1.21 4.78 0.32 0.71 0.11 0.12 -3.56 120.40 124.09 1wr3 s VAL 22 Ca 0.03 0.04 -0.29 0.00 -2.93 0.00 0.00 61.98 58.84 1wr3 s VAL 22 Cb -0.22 -4.26 -0.10 0.00 -1.53 0.00 0.00 36.38 30.27 1wr3 s VAL 22 CO -0.02 -0.69 1.28 0.21 -3.33 0.00 0.00 175.10 172.55 1wr3 s ASN 23 N 2.21 6.84 0.00 3.54 3.84 -1.14 -1.12 114.94 129.10 1wr3 s ASN 23 Ca 0.22 2.63 0.22 0.00 0.21 0.00 0.00 52.86 56.15 1wr3 s ASN 23 Cb -0.15 -2.65 -0.07 0.00 -0.55 0.00 0.00 41.25 37.84 1wr3 s ASN 23 CO 0.18 -0.49 1.04 1.41 -2.79 0.00 0.00 177.10 176.45 1wr3 n HIS 24 N 0.87 0.00 -0.11 0.43 8.25 0.29 -1.90 115.22 123.05 1wr3 n HIS 24 Ca -0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.22 1wr3 n HIS 24 Cb 0.42 -0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.42 1wr3 n HIS 24 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1wr3 n ASN 25 N -0.46 1.95 -0.06 0.41 2.85 -1.26 -4.59 115.26 114.10 1wr3 n ASN 25 Ca 0.08 0.28 0.03 0.00 -0.11 0.00 0.00 54.58 54.86 1wr3 n ASN 25 Cb 0.43 -0.82 -0.02 0.00 1.24 0.00 0.00 39.78 40.61 1wr3 n ASN 25 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1wr3 n ASN 26 N -4.06 0.57 -3.96 1.20 2.85 -1.26 -5.02 115.26 105.58 1wr3 n ASN 26 Ca -0.43 -0.79 -0.27 0.00 -0.11 0.00 0.00 54.58 52.99 1wr3 n ASN 26 Cb 0.86 0.79 -0.01 0.00 1.24 0.00 0.00 39.78 42.65 1wr3 n ASN 26 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 1wr3 n ARG 27 N -0.82 -3.59 -2.61 1.20 0.63 -0.80 -4.94 116.66 105.74 1wr3 n ARG 27 Ca 0.02 0.43 -0.43 0.00 -0.92 0.00 0.00 57.85 56.95 1wr3 n ARG 27 Cb 0.11 -4.73 -0.02 0.00 0.45 0.00 0.00 32.46 28.28 1wr3 n ARG 27 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1wr3 s SER 28 N -4.17 6.86 -1.03 6.15 0.01 -1.26 -4.80 113.70 115.46 1wr3 s SER 28 Ca 0.13 0.99 -0.09 0.00 1.31 0.00 0.00 55.95 58.30 1wr3 s SER 28 Cb -0.07 -2.54 0.26 0.00 0.21 0.00 0.00 66.02 63.87 1wr3 s SER 28 CO 0.88 -0.95 1.00 0.42 0.41 0.00 0.00 173.24 175.00 1wr3 s THR 29 N 3.84 5.66 0.08 1.44 -4.23 -1.26 -2.89 115.64 118.28 1wr3 s THR 29 Ca 0.47 -3.36 0.03 0.00 -1.18 0.00 0.00 61.69 57.65 1wr3 s THR 29 Cb -0.12 -4.43 -0.04 0.00 1.34 0.00 0.00 72.50 69.25 1wr3 s THR 29 CO 0.18 -1.14 0.07 0.00 -0.54 0.00 0.00 174.62 173.19 1wr3 s GLN 30 N -1.07 2.85 0.00 3.99 1.03 -1.23 -4.92 119.66 120.31 1wr3 s GLN 30 Ca 0.28 -0.70 0.26 0.00 0.04 0.00 0.00 55.36 55.24 1wr3 s GLN 30 Cb -0.10 -2.71 0.71 0.00 0.03 0.00 0.00 33.01 30.94 1wr3 s GLN 30 CO -0.09 0.56 1.55 0.91 -2.54 0.00 0.00 175.29 175.69 1wr3 n TRP 31 N 0.47 0.04 -3.81 9.60 7.02 -1.26 0.19 117.44 129.69 1wr3 n TRP 31 Ca -0.09 -0.02 -0.34 0.00 -1.02 0.00 0.00 57.50 56.03 1wr3 n TRP 31 Cb 0.52 0.00 -0.11 0.00 -2.42 0.00 0.00 31.31 29.29 1wr3 n TRP 31 CO 0.00 0.00 0.00 -3.38 -2.02 0.00 0.00 177.69 172.29 1wr3 s HIS 32 N -1.96 3.34 0.00 -5.99 -3.43 -1.26 -4.70 115.29 101.29 1wr3 s HIS 32 Ca 0.34 -2.89 -0.29 0.00 -0.80 0.00 0.00 55.06 51.42 1wr3 s HIS 32 Cb 0.20 -3.05 -0.15 0.00 -1.43 0.00 0.00 32.58 28.15 1wr3 s HIS 32 CO 0.32 -0.81 0.78 -2.13 -2.00 0.00 0.00 174.74 170.90 1wr3 n ARG 33 N 3.37 0.00 -1.00 -0.38 0.63 -1.26 -4.89 116.66 113.12 1wr3 n ARG 33 Ca 0.07 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.67 1wr3 n ARG 33 Cb 0.36 -1.09 0.13 0.00 0.45 0.00 0.00 32.46 32.31 1wr3 n ARG 33 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1wr3 s PRO 34 N -0.02 1.53 -0.56 -0.14 0.04 -1.26 -4.89 135.00 129.70 1wr3 s PRO 34 Ca 0.66 1.59 -0.27 0.00 0.04 0.00 0.00 61.00 63.02 1wr3 s PRO 34 Cb -0.93 -1.78 -0.01 0.00 0.04 0.00 0.00 34.50 31.82 1wr3 s PRO 34 CO 0.42 -2.26 1.76 -1.12 0.04 0.00 0.00 177.00 175.84 1wr3 s SER 35 N -2.53 5.53 0.00 6.66 0.01 -1.26 -5.05 113.70 117.06 1wr3 s SER 35 Ca 0.69 0.46 0.00 0.00 1.31 0.00 0.00 55.95 58.41 1wr3 s SER 35 Cb -0.24 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.45 1wr3 s SER 35 CO 0.53 -2.15 0.05 -0.11 0.41 0.00 0.00 173.24 171.98