#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmv s SER 2 N 0.00 -0.07 0.66 1.61 1.04 -1.26 -5.17 113.70 110.51 2dmv s SER 2 Ca 0.00 0.16 -0.01 0.00 0.48 0.00 0.00 55.95 56.58 2dmv s SER 2 Cb 0.00 0.14 0.08 0.00 0.10 0.00 0.00 66.02 66.35 2dmv s SER 2 CO 0.00 -0.05 0.92 -0.55 0.98 0.00 0.00 173.24 174.54 2dmv s SER 3 N 0.23 4.73 0.00 7.02 0.15 -1.26 -4.50 113.70 120.08 2dmv s SER 3 Ca -0.02 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.52 2dmv s SER 3 Cb -0.03 -0.49 0.00 0.00 -1.71 0.00 0.00 66.02 63.80 2dmv s SER 3 CO -0.01 -1.57 0.00 0.61 1.20 0.00 0.00 173.24 173.47 2dmv n GLY 4 N -2.68 3.05 0.06 9.45 0.00 -1.26 -4.87 105.19 108.94 2dmv n GLY 4 Ca 0.11 -0.44 -0.02 0.00 0.00 0.00 0.00 46.02 45.68 2dmv n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2dmv h SER 5 N 0.01 -0.09 -3.49 1.61 0.87 -2.03 -3.47 113.55 106.97 2dmv h SER 5 Ca 0.00 0.00 -0.54 0.00 -1.23 0.00 0.00 61.79 60.03 2dmv h SER 5 Cb 0.00 0.02 0.21 0.00 -0.44 0.00 0.00 62.40 62.19 2dmv h SER 5 CO 0.00 0.10 -0.42 -1.54 -0.53 0.00 0.00 176.83 174.44 2dmv n SER 6 N -3.22 -1.54 0.00 6.23 3.41 -1.26 -4.69 113.62 112.55 2dmv n SER 6 Ca -0.01 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 2dmv n SER 6 Cb 0.04 -1.25 0.00 0.00 -0.26 0.00 0.00 64.21 62.74 2dmv n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dmv n GLY 7 N 1.37 0.45 3.28 5.00 0.00 -1.26 -5.04 105.19 108.98 2dmv n GLY 7 Ca 0.08 -1.67 -0.11 0.00 0.00 0.00 0.00 46.02 44.32 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 0.75 0.98 0.99 1.43 -1.26 -5.16 118.68 116.41 2dmv s LEU 8 Ca 0.00 -0.33 -0.12 0.00 -1.03 0.00 0.00 54.13 52.65 2dmv s LEU 8 Cb 0.00 1.53 0.18 0.00 0.03 0.00 0.00 46.19 47.92 2dmv s LEU 8 CO 0.00 -0.75 1.09 -2.16 0.23 0.00 0.00 176.35 174.77 2dmv s PRO 9 N -3.36 0.59 -0.26 1.29 0.04 -1.26 -4.94 135.00 127.10 2dmv s PRO 9 Ca 0.01 0.58 -0.29 0.00 0.04 0.00 0.00 61.00 61.33 2dmv s PRO 9 Cb 0.02 -1.75 -0.02 0.00 0.04 0.00 0.00 34.50 32.78 2dmv s PRO 9 CO -0.09 -2.64 1.64 -1.25 0.04 0.00 0.00 177.00 174.70 2dmv s PRO 10 N -4.96 3.69 0.00 0.56 0.04 -1.26 -2.64 135.00 130.43 2dmv s PRO 10 Ca 0.65 1.56 0.00 0.00 0.04 0.00 0.00 61.00 63.25 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 -1.42 0.00 0.41 0.04 0.00 0.00 177.00 176.60 2dmv n GLY 11 N 4.84 1.32 3.58 0.56 0.00 -1.26 -5.11 105.19 109.12 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 2.91 0.52 1.61 0.52 -1.08 -2.84 118.94 118.59 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 -1.68 0.03 0.00 -1.15 0.00 0.00 33.47 30.67 2dmv s TRP 12 CO 0.00 0.33 0.44 -2.00 0.02 0.00 0.00 176.95 175.74 2dmv s GLU 13 N -0.94 2.30 -0.10 4.98 2.56 0.39 -4.79 118.70 123.10 2dmv s GLU 13 Ca 0.13 -1.90 -0.02 0.00 0.00 0.00 0.00 54.97 53.19 2dmv s GLU 13 Cb -0.11 -2.20 0.04 0.00 2.00 0.00 0.00 34.13 33.86 2dmv s GLU 13 CO 0.03 -0.57 0.02 -1.14 -0.56 0.00 0.00 175.26 173.04 2dmv s GLN 14 N -4.29 0.51 0.21 4.30 0.74 -1.26 -2.39 119.66 117.48 2dmv s GLN 14 Ca 0.40 0.03 -0.01 0.00 0.05 0.00 0.00 55.36 55.83 2dmv s GLN 14 Cb -0.03 -1.18 -0.04 0.00 1.10 0.00 0.00 33.01 32.87 2dmv s GLN 14 CO 0.24 -0.39 0.15 1.03 -0.55 0.00 0.00 175.29 175.77 2dmv s ARG 15 N 1.98 1.24 0.05 1.67 0.52 0.03 -4.99 118.95 119.45 2dmv s ARG 15 Ca 0.04 -1.64 0.03 0.00 -0.52 0.00 0.00 55.73 53.64 2dmv s ARG 15 Cb -0.13 0.28 -0.03 0.00 0.52 0.00 0.00 34.95 35.59 2dmv s ARG 15 CO -0.06 -0.41 -0.10 0.08 0.02 0.00 0.00 175.30 174.83 2dmv s VAL 16 N -4.11 0.72 0.43 3.52 1.01 -1.26 -0.65 120.40 120.05 2dmv s VAL 16 Ca 0.39 -1.15 0.01 0.00 0.00 0.00 0.00 61.98 61.22 2dmv s VAL 16 Cb 0.07 -0.75 0.08 0.00 0.00 0.00 0.00 36.38 35.78 2dmv s VAL 16 CO 0.13 -0.33 0.60 -0.90 0.00 0.00 0.00 175.10 174.59 2dmv n ASP 17 N 1.41 0.89 0.00 3.32 5.75 -1.21 -4.97 116.55 121.73 2dmv n ASP 17 Ca -0.22 -1.73 0.15 0.00 -0.01 0.00 0.00 54.79 52.98 2dmv n ASP 17 Cb 0.54 -0.38 0.83 0.00 -1.03 0.00 0.00 41.12 41.09 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 -2.08 0.76 -0.03 0.11 10.64 -1.26 -3.02 117.38 122.50 2dmv n GLN 18 Ca 0.10 0.01 -0.05 0.00 -1.83 0.00 0.00 57.00 55.23 2dmv n GLN 18 Cb 0.36 -1.50 -0.13 0.00 -0.86 0.00 0.00 30.24 28.11 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 -1.10 0.62 0.00 2.61 8.25 -1.26 -4.99 115.22 119.35 2dmv n HIS 19 Ca 0.19 0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.87 2dmv n HIS 19 Cb 0.15 -1.05 0.00 0.00 1.12 0.00 0.00 29.99 30.20 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 1.55 1.24 3.57 -1.41 0.00 -1.17 -5.09 105.19 103.88 2dmv n GLY 20 Ca -0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.38 3.78 0.26 1.61 0.52 -1.26 -4.93 118.95 118.55 2dmv s ARG 21 Ca 0.00 -0.39 -0.30 0.00 -0.52 0.00 0.00 55.73 54.52 2dmv s ARG 21 Cb 0.00 -3.72 -0.09 0.00 0.52 0.00 0.00 34.95 31.66 2dmv s ARG 21 CO 0.00 -0.30 1.31 0.08 0.02 0.00 0.00 175.30 176.40 2dmv s VAL 22 N 1.80 3.00 -0.07 3.52 1.01 -1.26 -3.34 120.40 125.07 2dmv s VAL 22 Ca 0.08 0.90 -0.10 0.00 0.00 0.00 0.00 61.98 62.86 2dmv s VAL 22 Cb -0.16 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.66 2dmv s VAL 22 CO 0.11 0.17 0.25 -0.72 0.00 0.00 0.00 175.10 174.91 2dmv s TYR 23 N -0.43 -0.21 0.22 5.22 -0.85 0.17 -4.25 117.35 117.21 2dmv s TYR 23 Ca 0.53 0.48 -0.01 0.00 -0.52 0.00 0.00 57.07 57.55 2dmv s TYR 23 Cb -0.38 0.07 -0.04 0.00 0.38 0.00 0.00 41.96 41.99 2dmv s TYR 23 CO 0.44 -0.21 0.42 0.71 -1.52 0.00 0.00 175.55 175.39 2dmv s TYR 24 N -0.39 3.48 -0.11 -3.49 2.02 0.90 -0.79 117.35 118.97 2dmv s TYR 24 Ca -0.05 0.38 -0.00 0.00 -0.37 0.00 0.00 57.07 57.03 2dmv s TYR 24 Cb -0.03 -1.89 0.02 0.00 -0.40 0.00 0.00 41.96 39.66 2dmv s TYR 24 CO 0.01 0.35 -0.08 0.08 -1.57 0.00 0.00 175.55 174.34 2dmv s VAL 25 N -1.91 1.07 -0.21 0.71 1.01 -1.00 -2.61 120.40 117.47 2dmv s VAL 25 Ca 0.39 -0.32 -0.20 0.00 0.00 0.00 0.00 61.98 61.85 2dmv s VAL 25 Cb -0.11 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 2dmv s VAL 25 CO 0.29 0.37 0.58 -0.62 0.00 0.00 0.00 175.10 175.72 2dmv s ASP 26 N 1.65 6.61 0.00 3.32 -1.08 -1.06 -0.46 116.67 125.65 2dmv s ASP 26 Ca 0.04 0.74 0.28 0.00 -0.52 0.00 0.00 52.55 53.09 2dmv s ASP 26 Cb -0.13 -2.32 1.07 0.00 -1.46 0.00 0.00 42.92 40.09 2dmv s ASP 26 CO -0.08 -0.24 1.81 1.41 0.52 0.00 0.00 175.17 178.58 2dmv n HIS 27 N 5.02 0.00 -0.11 -5.34 8.25 -1.13 -0.10 115.22 121.81 2dmv n HIS 27 Ca -0.03 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.29 2dmv n HIS 27 Cb 0.50 -0.41 -0.12 0.00 1.12 0.00 0.00 29.99 31.08 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 -1.46 1.32 0.00 1.59 0.31 -1.26 -4.55 118.33 114.28 2dmv n VAL 28 Ca 0.07 -0.61 0.11 0.00 -0.01 0.00 0.00 64.34 63.91 2dmv n VAL 28 Cb 0.33 -1.05 -0.15 0.00 -0.91 0.00 0.00 33.84 32.06 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 -3.01 0.65 -3.42 5.55 -0.58 -1.25 -5.01 120.64 113.57 2dmv n GLU 29 Ca -0.38 -0.16 -0.18 0.00 -0.42 0.00 0.00 57.16 56.02 2dmv n GLU 29 Cb 1.00 -1.56 0.07 0.00 -0.57 0.00 0.00 31.44 30.38 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 -2.32 -4.06 -4.13 3.49 4.76 0.86 -5.01 118.16 111.74 2dmv n LYS 30 Ca -0.04 0.78 -0.16 0.00 -2.87 0.00 0.00 58.31 56.03 2dmv n LYS 30 Cb 0.58 -5.58 -0.12 0.00 -1.84 0.00 0.00 35.03 28.07 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 -5.12 0.72 -0.11 1.97 1.70 -1.23 -4.96 118.95 111.92 2dmv s ARG 31 Ca 0.23 -0.92 0.02 0.00 -0.47 0.00 0.00 55.73 54.59 2dmv s ARG 31 Cb -0.04 -0.59 -0.01 0.00 -0.57 0.00 0.00 34.95 33.75 2dmv s ARG 31 CO 0.76 0.12 -0.19 0.95 -1.08 0.00 0.00 175.30 175.86 2dmv s THR 32 N -1.53 2.53 -0.08 4.99 -4.23 -1.26 -2.56 115.64 113.51 2dmv s THR 32 Ca -0.03 -0.85 -0.05 0.00 -1.18 0.00 0.00 61.69 59.57 2dmv s THR 32 Cb -0.09 -2.01 0.03 0.00 1.34 0.00 0.00 72.50 71.77 2dmv s THR 32 CO 0.01 0.55 0.19 0.28 -0.54 0.00 0.00 174.62 175.11 2dmv s THR 33 N 0.27 -0.02 0.04 3.99 -1.32 -1.07 -5.00 115.64 112.53 2dmv s THR 33 Ca -0.13 0.06 0.32 0.00 -1.21 0.00 0.00 61.69 60.73 2dmv s THR 33 Cb -0.17 -0.28 0.38 0.00 -1.51 0.00 0.00 72.50 70.92 2dmv s THR 33 CO 0.07 0.03 1.94 -0.50 -2.21 0.00 0.00 174.62 173.94 2dmv h TRP 34 N 6.39 0.00 -0.31 9.09 4.06 -1.88 0.26 115.95 133.55 2dmv h TRP 34 Ca -0.32 0.00 -0.68 0.00 2.06 0.00 0.00 58.89 59.95 2dmv h TRP 34 Cb 1.18 0.00 -0.13 0.00 -1.00 0.00 0.00 29.16 29.21 2dmv h TRP 34 CO 0.40 0.01 -0.50 -0.51 -3.56 0.00 0.00 178.44 174.28 2dmv s ASP 35 N -5.77 4.10 0.90 -3.49 1.01 -1.26 -4.24 116.67 107.92 2dmv s ASP 35 Ca 0.02 -1.70 -0.10 0.00 0.71 0.00 0.00 52.55 51.48 2dmv s ASP 35 Cb 0.08 0.65 0.14 0.00 1.01 0.00 0.00 42.92 44.80 2dmv s ASP 35 CO 0.56 -0.91 1.13 -0.13 0.21 0.00 0.00 175.17 176.03 2dmv s ARG 36 N -3.89 1.14 -1.10 8.23 0.52 -1.26 -4.65 118.95 117.94 2dmv s ARG 36 Ca 0.03 1.46 -0.23 0.00 -0.52 0.00 0.00 55.73 56.47 2dmv s ARG 36 Cb 0.01 -1.75 -0.08 0.00 0.52 0.00 0.00 34.95 33.65 2dmv s ARG 36 CO 0.02 -2.51 1.94 -1.25 0.02 0.00 0.00 175.30 173.51 2dmv s PRO 37 N -4.69 2.51 -0.62 3.54 0.04 -1.26 -4.77 135.00 129.76 2dmv s PRO 37 Ca 0.66 -0.92 0.02 0.00 0.04 0.00 0.00 61.00 60.80 2dmv s PRO 37 Cb -0.22 -5.19 0.39 0.00 0.04 0.00 0.00 34.50 29.52 2dmv s PRO 37 CO 0.58 -3.81 1.46 0.45 0.04 0.00 0.00 177.00 175.71 2dmv n SER 38 N 14.27 5.81 0.00 6.66 2.88 -1.26 -5.05 113.62 136.93 2dmv n SER 38 Ca 0.43 -3.76 0.00 0.00 -1.33 0.00 0.00 58.87 54.21 2dmv n SER 38 Cb 0.47 -0.71 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 2dmv n SER 38 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dmv n GLY 39 N -0.47 -3.79 3.68 0.46 0.00 -1.26 -4.94 105.19 98.87 2dmv n GLY 39 Ca 0.44 -2.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.85 4.26 -0.11 1.61 0.04 -1.26 -4.94 135.00 133.75 2dmv s PRO 40 Ca 0.00 2.03 -0.26 0.00 0.04 0.00 0.00 61.00 62.81 2dmv s PRO 40 Cb 0.00 -3.63 -0.22 0.00 0.04 0.00 0.00 34.50 30.69 2dmv s PRO 40 CO 0.00 -0.64 0.82 0.77 0.04 0.00 0.00 177.00 178.00 2dmv h SER 41 N 8.11 -0.02 -2.99 6.66 0.02 -1.96 -3.48 113.55 119.89 2dmv h SER 41 Ca -0.38 -0.77 0.10 0.00 -0.84 0.00 0.00 61.79 59.90 2dmv h SER 41 Cb 1.18 0.00 -0.28 0.00 0.14 0.00 0.00 62.40 63.44 2dmv h SER 41 CO 0.92 0.81 0.59 -0.94 -1.14 0.00 0.00 176.83 177.07 2dmv s SER 42 N -6.00 -0.32 0.00 3.07 1.04 -1.26 -5.26 113.70 104.97 2dmv s SER 42 Ca -0.16 0.60 0.00 0.00 0.48 0.00 0.00 55.95 56.87 2dmv s SER 42 Cb -0.02 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.70 2dmv s SER 42 CO 0.62 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 175.32