#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmv n SER 2 N 0.00 -1.55 -2.33 1.61 2.88 -1.26 -4.90 113.62 108.06 2dmv n SER 2 Ca 0.00 -0.85 -0.27 0.00 -1.33 0.00 0.00 58.87 56.42 2dmv n SER 2 Cb 0.00 -3.82 0.01 0.00 -0.75 0.00 0.00 64.21 59.65 2dmv n SER 2 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2dmv n SER 3 N -3.00 4.99 0.00 -3.46 3.41 -1.26 -5.03 113.62 109.26 2dmv n SER 3 Ca -0.25 -3.74 0.00 0.00 -0.26 0.00 0.00 58.87 54.63 2dmv n SER 3 Cb 0.65 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 2dmv n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dmv n GLY 4 N -0.58 4.03 2.84 5.00 0.00 -1.26 -4.94 105.19 110.29 2dmv n GLY 4 Ca 0.42 -1.49 -0.39 0.00 0.00 0.00 0.00 46.02 44.56 2dmv n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dmv n SER 5 N 0.00 7.49 -4.46 1.61 7.64 -1.26 -4.93 113.62 119.71 2dmv n SER 5 Ca 0.00 -3.80 -0.43 0.00 1.01 0.00 0.00 58.87 55.65 2dmv n SER 5 Cb 0.00 -1.07 -0.09 0.00 -1.01 0.00 0.00 64.21 62.04 2dmv n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dmv s SER 6 N -1.06 6.14 0.00 6.43 0.15 -1.26 -5.01 113.70 119.09 2dmv s SER 6 Ca 0.53 -0.86 0.00 0.00 0.70 0.00 0.00 55.95 56.32 2dmv s SER 6 Cb 0.44 -2.19 0.00 0.00 -1.71 0.00 0.00 66.02 62.57 2dmv s SER 6 CO -0.37 -0.52 0.04 0.61 1.20 0.00 0.00 173.24 174.19 2dmv n GLY 7 N 5.15 -1.43 3.23 9.45 0.00 -1.26 -5.02 105.19 115.31 2dmv n GLY 7 Ca -0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 2dmv n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dmv s LEU 8 N -0.09 1.12 0.99 0.99 1.43 -1.26 -5.14 118.68 116.71 2dmv s LEU 8 Ca 0.00 -0.49 -0.12 0.00 -1.03 0.00 0.00 54.13 52.48 2dmv s LEU 8 Cb 0.00 1.25 0.18 0.00 0.03 0.00 0.00 46.19 47.65 2dmv s LEU 8 CO 0.00 -0.73 1.09 -2.16 0.23 0.00 0.00 176.35 174.78 2dmv s PRO 9 N -3.58 0.51 -0.32 1.29 0.04 -1.26 -4.94 135.00 126.74 2dmv s PRO 9 Ca 0.02 0.55 -0.29 0.00 0.04 0.00 0.00 61.00 61.33 2dmv s PRO 9 Cb 0.03 -1.74 -0.01 0.00 0.04 0.00 0.00 34.50 32.81 2dmv s PRO 9 CO -0.10 -2.68 1.68 -1.25 0.04 0.00 0.00 177.00 174.69 2dmv s PRO 10 N -4.96 3.48 0.00 0.56 0.04 -1.26 -2.51 135.00 130.36 2dmv s PRO 10 Ca 0.65 1.38 0.00 0.00 0.04 0.00 0.00 61.00 63.07 2dmv s PRO 10 Cb -0.18 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.23 2dmv s PRO 10 CO 0.58 -1.67 0.00 0.41 0.04 0.00 0.00 177.00 176.35 2dmv n GLY 11 N 5.20 1.39 3.62 0.56 0.00 -1.26 -5.06 105.19 109.64 2dmv n GLY 11 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 2dmv n GLY 11 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2dmv s TRP 12 N -2.00 3.01 0.53 1.61 0.52 -1.04 -1.75 118.94 119.81 2dmv s TRP 12 Ca 0.00 0.07 0.06 0.00 0.02 0.00 0.00 56.10 56.25 2dmv s TRP 12 Cb 0.00 -1.71 0.04 0.00 -1.15 0.00 0.00 33.47 30.64 2dmv s TRP 12 CO 0.00 0.39 0.45 -2.00 0.02 0.00 0.00 176.95 175.81 2dmv s GLU 13 N -0.98 2.29 -0.19 4.98 -6.30 0.45 -4.74 118.70 114.21 2dmv s GLU 13 Ca 0.14 -1.91 -0.04 0.00 -2.50 0.00 0.00 54.97 50.66 2dmv s GLU 13 Cb -0.11 -2.20 0.06 0.00 0.00 0.00 0.00 34.13 31.88 2dmv s GLU 13 CO 0.03 -0.59 0.06 -1.14 0.02 0.00 0.00 175.26 173.65 2dmv s GLN 14 N -4.31 0.39 0.30 4.30 0.74 -1.26 -2.56 119.66 117.27 2dmv s GLN 14 Ca 0.40 -0.31 0.03 0.00 0.05 0.00 0.00 55.36 55.52 2dmv s GLN 14 Cb -0.03 -1.95 -0.04 0.00 1.10 0.00 0.00 33.01 32.09 2dmv s GLN 14 CO 0.24 -0.68 0.12 1.03 -0.55 0.00 0.00 175.29 175.45 2dmv s ARG 15 N 1.97 1.58 0.04 1.67 0.52 -0.07 -5.01 118.95 119.66 2dmv s ARG 15 Ca 0.01 -1.89 0.04 0.00 -0.52 0.00 0.00 55.73 53.37 2dmv s ARG 15 Cb -0.17 -0.34 -0.02 0.00 0.52 0.00 0.00 34.95 34.94 2dmv s ARG 15 CO -0.10 -0.36 -0.11 0.08 0.02 0.00 0.00 175.30 174.83 2dmv s VAL 16 N -3.56 0.82 0.78 3.52 1.01 -1.26 -0.29 120.40 121.41 2dmv s VAL 16 Ca 0.35 -1.04 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 2dmv s VAL 16 Cb 0.06 -0.80 0.16 0.00 0.00 0.00 0.00 36.38 35.80 2dmv s VAL 16 CO 0.15 -0.20 1.07 -0.62 0.00 0.00 0.00 175.10 175.50 2dmv s ASP 17 N -1.37 4.02 0.00 3.32 -1.08 -1.21 -4.97 116.67 115.38 2dmv s ASP 17 Ca -0.04 -0.41 0.23 0.00 -0.52 0.00 0.00 52.55 51.80 2dmv s ASP 17 Cb -0.09 0.18 1.12 0.00 -1.46 0.00 0.00 42.92 42.67 2dmv s ASP 17 CO 0.01 -2.10 1.74 0.00 0.52 0.00 0.00 175.17 175.34 2dmv n GLN 18 N -3.01 0.28 0.02 4.34 10.64 -1.26 -2.63 117.38 125.76 2dmv n GLN 18 Ca 0.17 0.08 0.01 0.00 -1.83 0.00 0.00 57.00 55.43 2dmv n GLN 18 Cb 0.61 -1.50 -0.09 0.00 -0.86 0.00 0.00 30.24 28.40 2dmv n GLN 18 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 2dmv n HIS 19 N -1.32 0.83 0.00 2.61 8.25 -1.26 -4.97 115.22 119.36 2dmv n HIS 19 Ca 0.10 0.27 0.00 0.00 -0.26 0.00 0.00 57.72 57.83 2dmv n HIS 19 Cb 0.19 -1.02 0.00 0.00 1.12 0.00 0.00 29.99 30.28 2dmv n HIS 19 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dmv n GLY 20 N 1.39 1.13 3.48 -1.41 0.00 -1.08 -5.07 105.19 103.63 2dmv n GLY 20 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 2dmv n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dmv s ARG 21 N -0.73 3.12 0.34 1.61 0.52 -1.26 -4.89 118.95 117.66 2dmv s ARG 21 Ca 0.00 -0.72 -0.29 0.00 -0.52 0.00 0.00 55.73 54.20 2dmv s ARG 21 Cb 0.00 -3.98 -0.11 0.00 0.52 0.00 0.00 34.95 31.38 2dmv s ARG 21 CO 0.00 -0.91 1.52 0.08 0.02 0.00 0.00 175.30 176.01 2dmv s VAL 22 N 2.27 2.10 -0.08 3.52 1.01 -1.26 -3.36 120.40 124.60 2dmv s VAL 22 Ca 0.14 0.10 -0.10 0.00 0.00 0.00 0.00 61.98 62.12 2dmv s VAL 22 Cb -0.17 -3.06 0.02 0.00 0.00 0.00 0.00 36.38 33.17 2dmv s VAL 22 CO 0.14 0.02 0.26 -0.72 0.00 0.00 0.00 175.10 174.80 2dmv s TYR 23 N -0.68 -0.25 0.28 5.22 -0.85 0.60 -4.34 117.35 117.33 2dmv s TYR 23 Ca 0.57 0.57 -0.03 0.00 -0.52 0.00 0.00 57.07 57.66 2dmv s TYR 23 Cb -0.47 0.08 -0.05 0.00 0.38 0.00 0.00 41.96 41.91 2dmv s TYR 23 CO 0.57 -0.19 0.51 0.71 -1.52 0.00 0.00 175.55 175.63 2dmv s TYR 24 N -0.20 3.48 -0.14 -3.49 2.02 0.86 -0.90 117.35 119.00 2dmv s TYR 24 Ca -0.03 0.52 -0.01 0.00 -0.37 0.00 0.00 57.07 57.19 2dmv s TYR 24 Cb -0.03 -2.01 0.03 0.00 -0.40 0.00 0.00 41.96 39.55 2dmv s TYR 24 CO 0.01 0.22 -0.06 0.08 -1.57 0.00 0.00 175.55 174.23 2dmv s VAL 25 N -2.06 1.02 -0.09 0.71 1.01 -1.06 -2.39 120.40 117.54 2dmv s VAL 25 Ca 0.42 -0.42 -0.24 0.00 0.00 0.00 0.00 61.98 61.73 2dmv s VAL 25 Cb -0.11 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 2dmv s VAL 25 CO 0.31 0.25 0.75 -0.62 0.00 0.00 0.00 175.10 175.78 2dmv s ASP 26 N 1.69 7.00 0.17 3.32 -1.08 -0.76 -0.41 116.67 126.60 2dmv s ASP 26 Ca 0.03 1.21 0.20 0.00 -0.52 0.00 0.00 52.55 53.47 2dmv s ASP 26 Cb -0.14 -2.43 -0.03 0.00 -1.46 0.00 0.00 42.92 38.86 2dmv s ASP 26 CO -0.08 -0.20 1.02 0.45 0.52 0.00 0.00 175.17 176.88 2dmv h HIS 27 N 6.92 0.00 0.00 -5.34 3.86 -1.69 0.11 115.15 119.01 2dmv h HIS 27 Ca -0.38 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.83 2dmv h HIS 27 Cb 1.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.65 2dmv h HIS 27 CO 0.67 0.23 -1.43 1.33 0.86 0.00 0.00 177.93 179.59 2dmv n VAL 28 N -2.80 0.29 -0.01 2.45 0.24 -1.26 -4.34 118.33 112.89 2dmv n VAL 28 Ca -0.03 -0.48 0.02 0.00 -2.04 0.00 0.00 64.34 61.81 2dmv n VAL 28 Cb 0.66 -0.11 -0.06 0.00 -1.47 0.00 0.00 33.84 32.87 2dmv n VAL 28 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2dmv n GLU 29 N -2.39 0.84 -3.37 7.34 -0.58 -1.25 -5.04 120.64 116.19 2dmv n GLU 29 Ca -0.01 -0.05 -0.17 0.00 -0.42 0.00 0.00 57.16 56.51 2dmv n GLU 29 Cb 0.54 -1.18 0.08 0.00 -0.57 0.00 0.00 31.44 30.31 2dmv n GLU 29 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2dmv n LYS 30 N -1.88 -4.58 -4.11 3.49 4.01 0.39 -5.01 118.16 110.46 2dmv n LYS 30 Ca -0.04 0.84 -0.15 0.00 -0.51 0.00 0.00 58.31 58.46 2dmv n LYS 30 Cb 0.32 -5.80 -0.12 0.00 -0.51 0.00 0.00 35.03 28.92 2dmv n LYS 30 CO 0.00 0.00 0.00 -0.98 -1.11 0.00 0.00 177.40 175.31 2dmv s ARG 31 N -4.98 0.59 -0.10 1.97 1.70 -1.21 -4.95 118.95 111.97 2dmv s ARG 31 Ca 0.21 -0.71 0.03 0.00 -0.47 0.00 0.00 55.73 54.78 2dmv s ARG 31 Cb -0.03 -0.44 -0.01 0.00 -0.57 0.00 0.00 34.95 33.90 2dmv s ARG 31 CO 0.74 0.09 -0.20 0.95 -1.08 0.00 0.00 175.30 175.80 2dmv s THR 32 N -1.16 2.44 -0.07 4.99 -4.23 -1.26 -1.82 115.64 114.53 2dmv s THR 32 Ca -0.06 -0.89 -0.06 0.00 -1.18 0.00 0.00 61.69 59.50 2dmv s THR 32 Cb -0.09 -1.96 0.03 0.00 1.34 0.00 0.00 72.50 71.81 2dmv s THR 32 CO 0.01 0.55 0.18 0.28 -0.54 0.00 0.00 174.62 175.10 2dmv s THR 33 N 0.23 -0.01 0.30 3.99 -1.32 -1.01 -5.00 115.64 112.83 2dmv s THR 33 Ca -0.13 0.05 0.07 0.00 -1.21 0.00 0.00 61.69 60.47 2dmv s THR 33 Cb -0.16 -0.27 0.04 0.00 -1.51 0.00 0.00 72.50 70.59 2dmv s THR 33 CO 0.07 0.02 1.70 -0.50 -2.21 0.00 0.00 174.62 173.70 2dmv h TRP 34 N 6.27 0.26 -0.60 9.09 4.06 -1.88 0.25 115.95 133.40 2dmv h TRP 34 Ca -0.30 -0.07 -0.58 0.00 2.06 0.00 0.00 58.89 59.99 2dmv h TRP 34 Cb 1.18 -0.06 -0.05 0.00 -1.00 0.00 0.00 29.16 29.24 2dmv h TRP 34 CO 0.40 0.61 -0.31 0.34 -3.56 0.00 0.00 178.44 175.92 2dmv s ASP 35 N -6.88 4.63 0.74 -3.49 2.15 -1.26 -4.14 116.67 108.43 2dmv s ASP 35 Ca -0.04 -1.24 -0.15 0.00 0.43 0.00 0.00 52.55 51.55 2dmv s ASP 35 Cb 0.13 0.39 0.04 0.00 -0.30 0.00 0.00 42.92 43.18 2dmv s ASP 35 CO 0.77 -1.09 1.22 0.54 -0.17 0.00 0.00 175.17 176.44 2dmv n ARG 36 N -1.75 0.55 -2.04 4.34 1.74 -1.26 -4.70 116.66 113.54 2dmv n ARG 36 Ca -0.02 0.26 -0.35 0.00 -0.77 0.00 0.00 57.85 56.97 2dmv n ARG 36 Cb 0.64 -2.46 -0.04 0.00 -1.02 0.00 0.00 32.46 29.59 2dmv n ARG 36 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2dmv s PRO 37 N -3.77 2.61 0.05 5.56 0.04 -1.26 -4.96 135.00 133.26 2dmv s PRO 37 Ca 0.77 0.38 0.08 0.00 0.04 0.00 0.00 61.00 62.27 2dmv s PRO 37 Cb -0.33 -4.56 -0.03 0.00 0.04 0.00 0.00 34.50 29.62 2dmv s PRO 37 CO 0.47 -2.90 -0.22 -1.54 0.04 0.00 0.00 177.00 172.85 2dmv s SER 38 N 8.09 2.59 0.00 6.66 1.04 -1.26 -5.10 113.70 125.72 2dmv s SER 38 Ca 0.68 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 56.56 2dmv s SER 38 Cb -0.11 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 65.80 2dmv s SER 38 CO 0.15 0.17 0.00 0.61 0.98 0.00 0.00 173.24 175.15 2dmv n GLY 39 N 1.76 3.38 3.67 7.32 0.00 -1.26 -5.06 105.19 114.99 2dmv n GLY 39 Ca -0.17 -1.80 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 2dmv n GLY 39 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmv s PRO 40 N -2.40 4.22 0.07 1.61 0.04 -1.26 -5.02 135.00 132.27 2dmv s PRO 40 Ca 0.00 2.01 0.05 0.00 0.04 0.00 0.00 61.00 63.10 2dmv s PRO 40 Cb 0.00 -3.81 -0.04 0.00 0.04 0.00 0.00 34.50 30.69 2dmv s PRO 40 CO 0.00 -0.74 -0.04 -1.12 0.04 0.00 0.00 177.00 175.14 2dmv s SER 41 N 2.60 4.78 -0.00 6.66 0.01 -1.26 -5.13 113.70 121.36 2dmv s SER 41 Ca 0.66 -0.22 -0.01 0.00 1.31 0.00 0.00 55.95 57.69 2dmv s SER 41 Cb -0.30 -1.08 -0.00 0.00 0.21 0.00 0.00 66.02 64.84 2dmv s SER 41 CO 0.25 0.20 0.02 -0.44 0.41 0.00 0.00 173.24 173.69 2dmv s SER 42 N -2.07 0.06 0.00 2.44 0.01 -1.26 -5.32 113.70 107.56 2dmv s SER 42 Ca 0.23 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.35 2dmv s SER 42 Cb -0.11 0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.21 2dmv s SER 42 CO 0.15 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.27