#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 -5.80 -3.80 1.61 7.64 -1.26 -4.96 113.62 107.05 2dmv n SER 2 Ca 0.00 -0.15 -0.12 0.00 1.01 0.00 0.00 58.87 59.61 2dmv n SER 2 Cb 0.00 -4.76 -0.06 0.00 -1.01 0.00 0.00 64.21 58.38 2dmv n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dmv s SER 3 N -2.39 0.35 0.00 6.43 1.04 -1.26 -5.19 113.70 112.68 2dmv s SER 3 Ca 0.16 -1.25 0.00 0.00 0.48 0.00 0.00 55.95 55.34 2dmv s SER 3 Cb -0.07 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.60 2dmv s SER 3 CO 0.20 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 173.93 2dmv n GLY 4 N -0.42 4.67 3.46 7.32 0.00 -1.26 -5.18 105.19 113.78 2dmv n GLY 4 Ca 0.01 -1.69 -0.12 0.00 0.00 0.00 0.00 46.02 44.22 2dmv n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dmv s SER 5 N -0.27 -0.53 -0.17 1.61 0.15 -1.26 -5.15 113.70 108.08 2dmv s SER 5 Ca 0.00 0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.79 2dmv s SER 5 Cb 0.00 0.52 0.03 0.00 -1.71 0.00 0.00 66.02 64.87 2dmv s SER 5 CO 0.00 -0.80 -0.11 -0.44 1.20 0.00 0.00 173.24 173.09 2dmv s SER 6 N -2.35 3.02 0.00 5.45 0.01 -1.26 -5.04 113.70 113.53 2dmv s SER 6 Ca -0.00 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.57 2dmv s SER 6 Cb -0.01 -1.16 0.00 0.00 0.21 0.00 0.00 66.02 65.06 2dmv s SER 6 CO -0.08 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.07 2dmv n GLY 7 N 4.75 -0.25 3.25 3.44 0.00 -1.26 -5.12 105.19 109.99 2dmv n GLY 7 Ca -0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.11 0.98 0.98 0.99 1.43 -1.26 -5.14 118.68 114.55 2dmv s LEU 8 Ca 0.00 -0.45 -0.12 0.00 -1.03 0.00 0.00 54.13 52.53 2dmv s LEU 8 Cb 0.00 1.36 0.18 0.00 0.03 0.00 0.00 46.19 47.76 2dmv s LEU 8 CO 0.00 -0.74 1.09 -2.16 0.23 0.00 0.00 176.35 174.77 2dmv s PRO 9 N -3.57 0.60 -0.26 1.29 0.04 -1.26 -4.94 135.00 126.90 2dmv s PRO 9 Ca 0.02 0.59 -0.29 0.00 0.04 0.00 0.00 61.00 61.36 2dmv s PRO 9 Cb 0.03 -1.75 -0.02 0.00 0.04 0.00 0.00 34.50 32.79 2dmv s PRO 9 CO -0.10 -2.63 1.64 -1.25 0.04 0.00 0.00 177.00 174.70 2dmv s PRO 10 N -4.95 3.67 0.00 0.56 0.04 -1.26 -2.53 135.00 130.53 2dmv s PRO 10 Ca 0.65 1.55 0.00 0.00 0.04 0.00 0.00 61.00 63.24 2dmv s PRO 10 Cb -0.18 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 30.29 2dmv s PRO 10 CO 0.57 -1.44 0.00 0.41 0.04 0.00 0.00 177.00 176.58 2dmv n GLY 11 N 4.87 1.08 3.59 0.56 0.00 -1.26 -4.80 105.19 109.23 2dmv n GLY 11 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 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 2.93 0.54 1.61 0.52 -1.05 -1.94 118.94 119.54 2dmv s TRP 12 Ca 0.00 0.00 0.06 0.00 0.02 0.00 0.00 56.10 56.18 2dmv s TRP 12 Cb 0.00 -1.67 0.04 0.00 -1.15 0.00 0.00 33.47 30.69 2dmv s TRP 12 CO 0.00 0.36 0.44 -2.00 0.02 0.00 0.00 176.95 175.77 2dmv s GLU 13 N -1.08 2.28 -0.05 4.98 2.56 0.85 -4.75 118.70 123.48 2dmv s GLU 13 Ca 0.15 -1.94 -0.02 0.00 0.00 0.00 0.00 54.97 53.16 2dmv s GLU 13 Cb -0.11 -2.18 0.03 0.00 2.00 0.00 0.00 34.13 33.87 2dmv s GLU 13 CO 0.04 -0.60 0.04 -1.14 -0.56 0.00 0.00 175.26 173.04 2dmv s GLN 14 N -4.31 0.11 0.26 4.30 0.74 -1.26 -2.43 119.66 117.07 2dmv s GLN 14 Ca 0.38 0.31 -0.04 0.00 0.05 0.00 0.00 55.36 56.06 2dmv s GLN 14 Cb -0.03 -0.64 -0.02 0.00 1.10 0.00 0.00 33.01 33.43 2dmv s GLN 14 CO 0.24 -0.32 0.31 1.03 -0.55 0.00 0.00 175.29 176.00 2dmv s ARG 15 N 2.12 1.50 -0.02 1.67 0.52 -0.16 -4.98 118.95 119.58 2dmv s ARG 15 Ca 0.05 -1.59 -0.00 0.00 -0.52 0.00 0.00 55.73 53.67 2dmv s ARG 15 Cb -0.12 0.37 0.03 0.00 0.52 0.00 0.00 34.95 35.75 2dmv s ARG 15 CO -0.04 -0.57 0.03 0.08 0.02 0.00 0.00 175.30 174.82 2dmv s VAL 16 N -3.83 -0.03 0.86 3.52 1.01 -1.26 -0.34 120.40 120.33 2dmv s VAL 16 Ca 0.33 0.22 -0.14 0.00 0.00 0.00 0.00 61.98 62.39 2dmv s VAL 16 Cb 0.03 -0.12 0.22 0.00 0.00 0.00 0.00 36.38 36.51 2dmv s VAL 16 CO 0.14 0.11 0.68 -0.90 0.00 0.00 0.00 175.10 175.13 2dmv n ASP 17 N 4.31 -2.26 -0.08 3.32 5.75 -1.18 -4.90 116.55 121.52 2dmv n ASP 17 Ca -0.25 -0.83 0.16 0.00 -0.01 0.00 0.00 54.79 53.86 2dmv n ASP 17 Cb 0.50 -0.66 0.88 0.00 -1.03 0.00 0.00 41.12 40.81 2dmv n ASP 17 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2dmv n GLN 18 N -3.96 1.10 -0.04 0.11 10.64 -1.26 -3.33 117.38 120.65 2dmv n GLN 18 Ca 0.10 -0.16 -0.11 0.00 -1.83 0.00 0.00 57.00 55.00 2dmv n GLN 18 Cb 0.39 -1.50 -0.14 0.00 -0.86 0.00 0.00 30.24 28.13 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 -0.81 0.76 0.00 2.61 8.25 -1.26 -4.99 115.22 119.78 2dmv n HIS 19 Ca 0.23 0.25 0.00 0.00 -0.26 0.00 0.00 57.72 57.94 2dmv n HIS 19 Cb 0.15 -1.13 0.00 0.00 1.12 0.00 0.00 29.99 30.13 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 1.69 1.51 3.49 -1.41 0.00 -1.21 -5.10 105.19 104.16 2dmv n GLY 20 Ca -0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.16 3.58 0.30 1.61 0.52 -1.26 -4.95 118.95 118.59 2dmv s ARG 21 Ca 0.00 -0.56 -0.29 0.00 -0.52 0.00 0.00 55.73 54.36 2dmv s ARG 21 Cb 0.00 -3.59 -0.10 0.00 0.52 0.00 0.00 34.95 31.78 2dmv s ARG 21 CO 0.00 -0.32 1.29 0.08 0.02 0.00 0.00 175.30 176.37 2dmv s VAL 22 N 1.67 2.89 -0.11 3.52 1.01 -1.26 -3.09 120.40 125.02 2dmv s VAL 22 Ca 0.06 0.86 -0.12 0.00 0.00 0.00 0.00 61.98 62.78 2dmv s VAL 22 Cb -0.16 -3.55 0.03 0.00 0.00 0.00 0.00 36.38 32.70 2dmv s VAL 22 CO 0.08 0.19 0.33 -0.72 0.00 0.00 0.00 175.10 174.98 2dmv s TYR 23 N -0.90 -0.34 0.21 5.22 1.13 0.54 -4.24 117.35 118.96 2dmv s TYR 23 Ca 0.50 0.82 -0.05 0.00 -1.41 0.00 0.00 57.07 56.93 2dmv s TYR 23 Cb -0.38 0.12 -0.05 0.00 -1.10 0.00 0.00 41.96 40.54 2dmv s TYR 23 CO 0.49 -0.20 0.46 0.71 -2.51 0.00 0.00 175.55 174.50 2dmv s TYR 24 N 0.02 3.47 -0.17 -3.49 2.02 0.84 -0.99 117.35 119.05 2dmv s TYR 24 Ca -0.01 0.58 0.00 0.00 -0.37 0.00 0.00 57.07 57.27 2dmv s TYR 24 Cb -0.03 -2.04 0.03 0.00 -0.40 0.00 0.00 41.96 39.53 2dmv s TYR 24 CO 0.01 0.32 -0.11 0.08 -1.57 0.00 0.00 175.55 174.27 2dmv s VAL 25 N -1.86 1.53 -0.03 0.71 1.01 -1.02 -2.56 120.40 118.18 2dmv s VAL 25 Ca 0.42 -0.80 -0.24 0.00 0.00 0.00 0.00 61.98 61.37 2dmv s VAL 25 Cb -0.11 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 2dmv s VAL 25 CO 0.27 0.28 0.71 -0.62 0.00 0.00 0.00 175.10 175.73 2dmv s ASP 26 N 1.47 7.05 0.11 3.32 -1.08 -0.86 -0.11 116.67 126.57 2dmv s ASP 26 Ca 0.01 1.26 0.22 0.00 -0.52 0.00 0.00 52.55 53.53 2dmv s ASP 26 Cb -0.15 -2.42 -0.14 0.00 -1.46 0.00 0.00 42.92 38.75 2dmv s ASP 26 CO -0.09 -0.06 0.81 1.41 0.52 0.00 0.00 175.17 177.76 2dmv n HIS 27 N 3.40 0.59 0.05 -5.34 8.25 -0.82 -1.15 115.22 120.21 2dmv n HIS 27 Ca -0.02 0.17 0.09 0.00 -0.26 0.00 0.00 57.72 57.70 2dmv n HIS 27 Cb 0.51 -0.79 -0.07 0.00 1.12 0.00 0.00 29.99 30.75 2dmv n HIS 27 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 2dmv n VAL 28 N -2.53 0.51 -0.02 1.59 0.24 -1.26 -4.38 118.33 112.49 2dmv n VAL 28 Ca -0.02 -0.56 0.00 0.00 -2.04 0.00 0.00 64.34 61.72 2dmv n VAL 28 Cb 0.57 -0.28 -0.05 0.00 -1.47 0.00 0.00 33.84 32.61 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 -2.57 1.58 -3.03 7.34 4.71 -1.26 -5.05 120.64 122.36 2dmv n GLU 29 Ca -0.04 -0.03 -0.13 0.00 -0.01 0.00 0.00 57.16 56.95 2dmv n GLU 29 Cb 0.62 -1.16 0.06 0.00 -1.01 0.00 0.00 31.44 29.95 2dmv n GLU 29 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 2dmv n LYS 30 N -1.98 -3.39 -4.10 3.49 3.00 -0.30 -5.03 118.16 109.85 2dmv n LYS 30 Ca -0.06 0.70 -0.14 0.00 -0.00 0.00 0.00 58.31 58.82 2dmv n LYS 30 Cb 0.44 -5.14 -0.11 0.00 0.00 0.00 0.00 35.03 30.22 2dmv n LYS 30 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.40 176.42 2dmv s ARG 31 N -4.56 0.63 -0.10 1.64 1.70 -1.23 -4.95 118.95 112.09 2dmv s ARG 31 Ca 0.21 -0.86 0.04 0.00 -0.47 0.00 0.00 55.73 54.65 2dmv s ARG 31 Cb -0.03 -0.42 -0.00 0.00 -0.57 0.00 0.00 34.95 33.93 2dmv s ARG 31 CO 0.60 0.08 -0.23 0.95 -1.08 0.00 0.00 175.30 175.62 2dmv s THR 32 N -1.56 2.21 -0.07 4.99 -4.23 -1.26 -2.02 115.64 113.70 2dmv s THR 32 Ca -0.06 -0.97 -0.06 0.00 -1.18 0.00 0.00 61.69 59.42 2dmv s THR 32 Cb -0.09 -1.85 0.02 0.00 1.34 0.00 0.00 72.50 71.93 2dmv s THR 32 CO 0.00 0.56 0.19 0.28 -0.54 0.00 0.00 174.62 175.11 2dmv s THR 33 N 0.23 -0.01 0.17 3.99 -1.32 -1.06 -5.00 115.64 112.64 2dmv s THR 33 Ca -0.14 0.03 0.17 0.00 -1.21 0.00 0.00 61.69 60.54 2dmv s THR 33 Cb -0.17 -0.27 0.11 0.00 -1.51 0.00 0.00 72.50 70.66 2dmv s THR 33 CO 0.07 0.01 1.70 -0.50 -2.21 0.00 0.00 174.62 173.70 2dmv h TRP 34 N 6.15 0.00 -0.48 9.09 4.06 -1.88 0.24 115.95 133.12 2dmv h TRP 34 Ca -0.29 0.00 -0.61 0.00 2.06 0.00 0.00 58.89 60.05 2dmv h TRP 34 Cb 1.19 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 29.28 2dmv h TRP 34 CO 0.40 0.42 -0.36 0.34 -3.56 0.00 0.00 178.44 175.68 2dmv s ASP 35 N -6.49 4.49 0.69 -3.49 -1.08 -1.26 -4.18 116.67 105.35 2dmv s ASP 35 Ca 0.00 -1.37 -0.16 0.00 -0.52 0.00 0.00 52.55 50.51 2dmv s ASP 35 Cb 0.11 0.47 0.02 0.00 -1.46 0.00 0.00 42.92 42.06 2dmv s ASP 35 CO 0.70 -1.05 1.18 -0.13 0.52 0.00 0.00 175.17 176.39 2dmv s ARG 36 N -4.18 2.41 0.32 4.34 0.52 -1.26 -4.69 118.95 116.42 2dmv s ARG 36 Ca 0.26 1.68 0.26 0.00 -0.52 0.00 0.00 55.73 57.41 2dmv s ARG 36 Cb -0.01 -1.87 1.08 0.00 0.52 0.00 0.00 34.95 34.66 2dmv s ARG 36 CO 0.16 -1.61 1.77 -1.00 0.02 0.00 0.00 175.30 174.64 2dmv h PRO 37 N -0.05 0.00 -4.22 3.54 0.13 -1.99 -3.46 132.00 125.94 2dmv h PRO 37 Ca -0.48 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.32 2dmv h PRO 37 Cb 1.28 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 2dmv h PRO 37 CO 0.51 0.00 -0.46 -1.13 -0.23 0.00 0.00 178.00 176.70 2dmv n SER 38 N -2.42 -4.53 -4.27 1.44 3.41 -1.26 -4.95 113.62 101.04 2dmv n SER 38 Ca 0.02 -0.06 -0.25 0.00 -0.26 0.00 0.00 58.87 58.32 2dmv n SER 38 Cb 0.24 -3.77 -0.09 0.00 -0.26 0.00 0.00 64.21 60.33 2dmv n SER 38 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dmv s GLY 39 N -2.32 2.44 1.22 5.00 0.00 -1.26 -5.16 107.32 107.25 2dmv s GLY 39 Ca 0.15 -1.46 -0.20 0.00 0.00 0.00 0.00 44.72 43.21 2dmv s GLY 39 CO 0.19 -1.85 1.11 2.56 0.00 0.00 0.00 173.10 175.11 2dmv s PRO 40 N -3.79 -1.37 -0.98 2.90 0.04 -1.26 -4.98 135.00 125.57 2dmv s PRO 40 Ca 0.27 -0.13 -0.11 0.00 0.04 0.00 0.00 61.00 61.08 2dmv s PRO 40 Cb 0.05 -1.58 0.25 0.00 0.04 0.00 0.00 34.50 33.25 2dmv s PRO 40 CO 0.14 -3.80 0.94 -1.54 0.04 0.00 0.00 177.00 172.78 2dmv s SER 41 N -3.95 6.98 0.05 6.66 1.04 -1.26 -5.03 113.70 118.20 2dmv s SER 41 Ca 0.71 -3.22 0.03 0.00 0.48 0.00 0.00 55.95 53.95 2dmv s SER 41 Cb -0.09 -2.19 -0.04 0.00 0.10 0.00 0.00 66.02 63.81 2dmv s SER 41 CO 0.56 -0.40 0.04 -0.55 0.98 0.00 0.00 173.24 173.87 2dmv s SER 42 N 1.58 5.32 0.00 7.02 0.15 -1.26 -5.03 113.70 121.48 2dmv s SER 42 Ca 0.25 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.87 2dmv s SER 42 Cb -0.10 -1.40 0.00 0.00 -1.71 0.00 0.00 66.02 62.81 2dmv s SER 42 CO -0.08 0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.18