#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 6.90 -1.34 1.61 3.41 -1.26 -4.52 113.62 118.42 2dmv n SER 2 Ca 0.00 -2.76 -0.09 0.00 -0.26 0.00 0.00 58.87 55.76 2dmv n SER 2 Cb 0.00 -1.56 0.17 0.00 -0.26 0.00 0.00 64.21 62.55 2dmv n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dmv n SER 3 N 4.18 3.12 0.05 4.04 2.88 -1.26 -4.74 113.62 121.89 2dmv n SER 3 Ca 0.66 -3.80 -0.13 0.00 -1.33 0.00 0.00 58.87 54.27 2dmv n SER 3 Cb 0.29 -0.61 -0.09 0.00 -0.75 0.00 0.00 64.21 63.05 2dmv n SER 3 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2dmv h GLY 4 N 1.24 -0.14 -5.12 0.46 0.00 -2.11 -3.46 103.07 93.94 2dmv h GLY 4 Ca 0.26 0.05 0.03 0.00 0.00 0.00 0.00 47.33 47.67 2dmv h GLY 4 CO 0.50 -0.05 0.08 -1.35 0.00 0.00 0.00 176.54 175.72 2dmv s SER 5 N -5.37 -0.87 0.40 0.19 1.04 -1.26 -5.17 113.70 102.66 2dmv s SER 5 Ca -0.15 1.42 -0.14 0.00 0.48 0.00 0.00 55.95 57.56 2dmv s SER 5 Cb 0.03 1.37 -0.08 0.00 0.10 0.00 0.00 66.02 67.44 2dmv s SER 5 CO 0.63 -0.23 0.82 -0.55 0.98 0.00 0.00 173.24 174.89 2dmv s SER 6 N 1.49 6.66 0.00 7.02 0.15 -1.26 -5.07 113.70 122.69 2dmv s SER 6 Ca -0.09 1.31 0.00 0.00 0.70 0.00 0.00 55.95 57.87 2dmv s SER 6 Cb -0.05 -2.39 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 2dmv s SER 6 CO -0.18 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.50 2dmv n GLY 7 N -1.00 5.42 3.17 9.45 0.00 -1.26 -5.19 105.19 115.79 2dmv n GLY 7 Ca 0.04 -1.25 -0.09 0.00 0.00 0.00 0.00 46.02 44.72 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 0.00 1.62 0.96 0.99 1.43 -1.26 -5.16 118.68 117.26 2dmv s LEU 8 Ca 0.00 -0.61 -0.12 0.00 -1.03 0.00 0.00 54.13 52.37 2dmv s LEU 8 Cb 0.00 0.83 0.17 0.00 0.03 0.00 0.00 46.19 47.22 2dmv s LEU 8 CO 0.00 -0.63 1.09 -2.16 0.23 0.00 0.00 176.35 174.88 2dmv s PRO 9 N -3.33 0.71 -0.33 1.29 0.04 -1.26 -4.94 135.00 127.19 2dmv s PRO 9 Ca 0.01 0.63 -0.29 0.00 0.04 0.00 0.00 61.00 61.40 2dmv s PRO 9 Cb 0.03 -1.76 -0.01 0.00 0.04 0.00 0.00 34.50 32.79 2dmv s PRO 9 CO -0.08 -2.57 1.68 -1.25 0.04 0.00 0.00 177.00 174.83 2dmv s PRO 10 N -4.95 3.47 0.00 0.56 0.04 -1.26 -2.63 135.00 130.23 2dmv s PRO 10 Ca 0.65 1.36 0.00 0.00 0.04 0.00 0.00 61.00 63.05 2dmv s PRO 10 Cb -0.18 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.22 2dmv s PRO 10 CO 0.57 -1.70 0.00 0.41 0.04 0.00 0.00 177.00 176.33 2dmv n GLY 11 N 5.23 1.61 3.77 0.56 0.00 -1.26 -5.11 105.19 109.98 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 -1.65 3.28 0.39 1.61 0.52 -1.08 -3.06 118.94 118.95 2dmv s TRP 12 Ca 0.00 0.22 0.08 0.00 0.02 0.00 0.00 56.10 56.42 2dmv s TRP 12 Cb 0.00 -1.76 -0.03 0.00 -1.15 0.00 0.00 33.47 30.53 2dmv s TRP 12 CO 0.00 0.55 0.31 -2.00 0.02 0.00 0.00 176.95 175.82 2dmv s GLU 13 N -1.52 2.50 -0.13 4.98 2.56 0.09 -4.81 118.70 122.37 2dmv s GLU 13 Ca 0.20 -1.54 -0.00 0.00 0.00 0.00 0.00 54.97 53.63 2dmv s GLU 13 Cb -0.12 -2.31 0.03 0.00 2.00 0.00 0.00 34.13 33.73 2dmv s GLU 13 CO 0.11 -0.10 -0.09 -1.14 -0.56 0.00 0.00 175.26 173.48 2dmv s GLN 14 N -4.04 1.67 0.24 4.30 0.74 -1.26 -2.22 119.66 119.09 2dmv s GLN 14 Ca 0.45 -0.36 -0.03 0.00 0.05 0.00 0.00 55.36 55.46 2dmv s GLN 14 Cb -0.02 -1.76 -0.03 0.00 1.10 0.00 0.00 33.01 32.30 2dmv s GLN 14 CO 0.26 -0.29 0.26 1.03 -0.55 0.00 0.00 175.29 176.01 2dmv s ARG 15 N 1.65 1.41 0.06 1.67 0.52 -0.46 -5.01 118.95 118.79 2dmv s ARG 15 Ca 0.04 -1.59 0.04 0.00 -0.52 0.00 0.00 55.73 53.70 2dmv s ARG 15 Cb -0.13 0.34 -0.03 0.00 0.52 0.00 0.00 34.95 35.65 2dmv s ARG 15 CO -0.09 -0.52 -0.12 0.08 0.02 0.00 0.00 175.30 174.68 2dmv s VAL 16 N -3.94 0.87 0.72 3.52 1.01 -1.26 -0.54 120.40 120.78 2dmv s VAL 16 Ca 0.34 -1.20 -0.00 0.00 0.00 0.00 0.00 61.98 61.12 2dmv s VAL 16 Cb 0.04 -0.88 0.14 0.00 0.00 0.00 0.00 36.38 35.69 2dmv s VAL 16 CO 0.14 -0.28 0.98 -0.67 0.00 0.00 0.00 175.10 175.27 2dmv n ASP 17 N 1.37 1.32 0.00 3.32 2.03 -1.22 -4.97 116.55 118.40 2dmv n ASP 17 Ca -0.22 -2.11 0.13 0.00 0.52 0.00 0.00 54.79 53.11 2dmv n ASP 17 Cb 0.54 -0.64 0.68 0.00 -0.72 0.00 0.00 41.12 40.99 2dmv n ASP 17 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dmv n GLN 18 N -2.82 0.50 0.00 -0.67 10.64 -1.26 -2.78 117.38 120.99 2dmv n GLN 18 Ca 0.16 0.03 0.02 0.00 -1.83 0.00 0.00 57.00 55.39 2dmv n GLN 18 Cb 0.58 -1.50 -0.11 0.00 -0.86 0.00 0.00 30.24 28.35 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 -1.20 0.54 0.00 2.61 8.25 -1.26 -4.98 115.22 119.18 2dmv n HIS 19 Ca 0.14 0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.78 2dmv n HIS 19 Cb 0.17 -0.91 0.00 0.00 1.12 0.00 0.00 29.99 30.37 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 1.41 1.14 3.46 -1.41 0.00 -1.12 -5.07 105.19 103.60 2dmv n GLY 20 Ca -0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.66 3.05 0.33 1.61 0.52 -1.26 -4.90 118.95 117.64 2dmv s ARG 21 Ca 0.00 -0.91 -0.29 0.00 -0.52 0.00 0.00 55.73 54.01 2dmv s ARG 21 Cb 0.00 -4.00 -0.11 0.00 0.52 0.00 0.00 34.95 31.36 2dmv s ARG 21 CO 0.00 -0.87 1.53 0.08 0.02 0.00 0.00 175.30 176.06 2dmv s VAL 22 N 1.99 2.09 -0.05 3.52 1.01 -1.26 -3.38 120.40 124.31 2dmv s VAL 22 Ca 0.09 0.08 -0.08 0.00 0.00 0.00 0.00 61.98 62.07 2dmv s VAL 22 Cb -0.19 -3.05 0.02 0.00 0.00 0.00 0.00 36.38 33.16 2dmv s VAL 22 CO 0.12 0.02 0.20 -0.72 0.00 0.00 0.00 175.10 174.72 2dmv s TYR 23 N -0.58 -0.15 0.17 5.22 -0.85 0.30 -4.34 117.35 117.13 2dmv s TYR 23 Ca 0.58 0.33 -0.01 0.00 -0.52 0.00 0.00 57.07 57.44 2dmv s TYR 23 Cb -0.47 0.04 -0.04 0.00 0.38 0.00 0.00 41.96 41.87 2dmv s TYR 23 CO 0.55 -0.20 0.36 0.71 -1.52 0.00 0.00 175.55 175.46 2dmv s TYR 24 N -0.51 3.49 -0.11 -3.49 2.02 0.10 -1.36 117.35 117.49 2dmv s TYR 24 Ca -0.06 0.36 -0.01 0.00 -0.37 0.00 0.00 57.07 56.99 2dmv s TYR 24 Cb -0.04 -1.86 0.03 0.00 -0.40 0.00 0.00 41.96 39.69 2dmv s TYR 24 CO 0.01 0.42 -0.06 0.08 -1.57 0.00 0.00 175.55 174.43 2dmv s VAL 25 N -1.79 0.92 -0.24 0.71 1.01 -0.94 -2.43 120.40 117.64 2dmv s VAL 25 Ca 0.38 -0.26 -0.21 0.00 0.00 0.00 0.00 61.98 61.89 2dmv s VAL 25 Cb -0.11 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 2dmv s VAL 25 CO 0.28 0.32 0.67 -0.62 0.00 0.00 0.00 175.10 175.75 2dmv s ASP 26 N 1.75 6.65 0.00 3.32 -1.08 -1.00 -0.73 116.67 125.57 2dmv s ASP 26 Ca 0.04 0.80 0.30 0.00 -0.52 0.00 0.00 52.55 53.17 2dmv s ASP 26 Cb -0.13 -2.36 1.51 0.00 -1.46 0.00 0.00 42.92 40.48 2dmv s ASP 26 CO -0.08 -0.39 2.04 1.41 0.52 0.00 0.00 175.17 178.67 2dmv n HIS 27 N 5.70 0.00 -0.12 -5.34 8.25 -1.17 -0.11 115.22 122.42 2dmv n HIS 27 Ca 0.01 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.25 2dmv n HIS 27 Cb 0.49 -0.25 -0.10 0.00 1.12 0.00 0.00 29.99 31.24 2dmv n HIS 27 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2dmv n VAL 28 N -1.23 1.38 0.04 1.59 0.31 -1.26 -4.59 118.33 114.58 2dmv n VAL 28 Ca 0.15 -0.44 0.09 0.00 -0.01 0.00 0.00 64.34 64.12 2dmv n VAL 28 Cb 0.24 -1.59 -0.08 0.00 -0.91 0.00 0.00 33.84 31.50 2dmv n VAL 28 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2dmv n GLU 29 N -3.65 0.63 -3.06 5.55 -0.58 -1.25 -5.01 120.64 113.27 2dmv n GLU 29 Ca -0.46 0.02 -0.13 0.00 -0.42 0.00 0.00 57.16 56.16 2dmv n GLU 29 Cb 0.91 -1.70 0.07 0.00 -0.57 0.00 0.00 31.44 30.14 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 -2.56 -3.75 -4.19 3.49 4.76 0.84 -5.03 118.16 111.72 2dmv n LYS 30 Ca -0.04 0.71 -0.18 0.00 -2.87 0.00 0.00 58.31 55.92 2dmv n LYS 30 Cb 0.63 -5.18 -0.12 0.00 -1.84 0.00 0.00 35.03 28.52 2dmv n LYS 30 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 2dmv s ARG 31 N -4.66 0.83 -0.10 1.97 1.70 -1.23 -4.95 118.95 112.51 2dmv s ARG 31 Ca 0.18 -0.93 0.03 0.00 -0.47 0.00 0.00 55.73 54.54 2dmv s ARG 31 Cb -0.02 -0.84 -0.01 0.00 -0.57 0.00 0.00 34.95 33.51 2dmv s ARG 31 CO 0.60 0.19 -0.21 0.95 -1.08 0.00 0.00 175.30 175.75 2dmv s THR 32 N -1.22 2.33 -0.07 4.99 -4.23 -1.26 -2.36 115.64 113.82 2dmv s THR 32 Ca -0.02 -0.93 -0.06 0.00 -1.18 0.00 0.00 61.69 59.51 2dmv s THR 32 Cb -0.10 -1.91 0.02 0.00 1.34 0.00 0.00 72.50 71.85 2dmv s THR 32 CO 0.02 0.55 0.18 0.28 -0.54 0.00 0.00 174.62 175.12 2dmv s THR 33 N 0.29 -0.00 0.06 3.99 -1.32 -1.02 -5.00 115.64 112.64 2dmv s THR 33 Ca -0.15 0.01 0.21 0.00 -1.21 0.00 0.00 61.69 60.55 2dmv s THR 33 Cb -0.17 -0.26 0.19 0.00 -1.51 0.00 0.00 72.50 70.75 2dmv s THR 33 CO 0.08 0.00 1.73 -0.50 -2.21 0.00 0.00 174.62 173.72 2dmv h TRP 34 N 5.92 0.00 -0.60 9.09 4.06 -1.88 0.29 115.95 132.83 2dmv h TRP 34 Ca -0.26 0.00 -0.63 0.00 2.06 0.00 0.00 58.89 60.06 2dmv h TRP 34 Cb 1.20 0.00 -0.10 0.00 -1.00 0.00 0.00 29.16 29.26 2dmv h TRP 34 CO 0.40 0.29 -0.44 -0.51 -3.56 0.00 0.00 178.44 174.62 2dmv s ASP 35 N -6.28 4.32 0.87 -3.49 1.01 -1.26 -4.27 116.67 107.57 2dmv s ASP 35 Ca 0.01 -1.45 -0.11 0.00 0.71 0.00 0.00 52.55 51.72 2dmv s ASP 35 Cb 0.10 0.35 0.12 0.00 1.01 0.00 0.00 42.92 44.50 2dmv s ASP 35 CO 0.67 -0.89 1.16 -0.13 0.21 0.00 0.00 175.17 176.18 2dmv s ARG 36 N -4.01 1.27 0.33 8.23 1.81 -1.26 -4.69 118.95 120.62 2dmv s ARG 36 Ca 0.20 1.58 0.26 0.00 -1.72 0.00 0.00 55.73 56.04 2dmv s ARG 36 Cb 0.01 -1.75 1.08 0.00 -0.45 0.00 0.00 34.95 33.84 2dmv s ARG 36 CO 0.12 -2.45 1.78 -1.00 -0.68 0.00 0.00 175.30 173.06 2dmv h PRO 37 N -1.56 0.00 -2.05 3.54 0.13 -2.00 -3.45 132.00 126.61 2dmv h PRO 37 Ca -0.44 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.73 2dmv h PRO 37 Cb 1.27 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.22 2dmv h PRO 37 CO 0.43 0.00 0.39 0.45 -0.23 0.00 0.00 178.00 179.04 2dmv s SER 38 N -4.57 -0.48 0.00 1.44 0.15 -1.26 -5.18 113.70 103.81 2dmv s SER 38 Ca 0.03 0.34 0.00 0.00 0.70 0.00 0.00 55.95 57.02 2dmv s SER 38 Cb 0.09 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 2dmv s SER 38 CO 0.42 -0.57 0.00 0.61 1.20 0.00 0.00 173.24 174.91 2dmv n GLY 39 N 0.40 3.00 0.18 9.45 0.00 -1.26 -4.90 105.19 112.06 2dmv n GLY 39 Ca -0.13 -1.63 0.14 0.00 0.00 0.00 0.00 46.02 44.39 2dmv n GLY 39 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmv h PRO 40 N 0.00 0.00 -3.57 1.61 0.13 -2.01 -3.46 132.00 124.70 2dmv h PRO 40 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.85 2dmv h PRO 40 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 2dmv h PRO 40 CO 0.00 0.00 -0.35 -1.13 -0.23 0.00 0.00 178.00 176.29 2dmv n SER 41 N -2.53 -4.24 -0.08 1.44 3.41 -1.26 -4.80 113.62 105.56 2dmv n SER 41 Ca 0.01 0.17 -0.13 0.00 -0.26 0.00 0.00 58.87 58.66 2dmv n SER 41 Cb 0.25 -3.60 -0.07 0.00 -0.26 0.00 0.00 64.21 60.53 2dmv n SER 41 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dmv n SER 42 N -1.78 2.39 0.00 4.04 2.88 -1.26 -5.21 113.62 114.68 2dmv n SER 42 Ca -0.16 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 2dmv n SER 42 Cb 0.62 -0.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 2dmv n SER 42 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42