#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2emg s SER 2 N 0.00 4.31 -0.23 1.61 0.01 -1.26 -5.05 113.70 113.08 2emg s SER 2 Ca 0.00 0.15 -0.07 0.00 1.31 0.00 0.00 55.95 57.34 2emg s SER 2 Cb 0.00 -0.59 -0.12 0.00 0.21 0.00 0.00 66.02 65.52 2emg s SER 2 CO 0.00 -1.92 -0.27 -1.54 0.41 0.00 0.00 173.24 169.93 2emg n SER 3 N -3.07 1.90 0.00 2.44 3.41 -1.26 -5.05 113.62 112.00 2emg n SER 3 Ca 0.12 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 2emg n SER 3 Cb 0.60 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 2emg n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2emg n GLY 4 N 1.85 1.00 0.81 5.00 0.00 -1.26 -5.07 105.19 107.52 2emg n GLY 4 Ca -0.44 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.52 2emg n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2emg n SER 5 N 0.00 0.67 -4.69 1.61 7.64 -1.26 -5.06 113.62 112.53 2emg n SER 5 Ca 0.00 0.10 -0.29 0.00 1.01 0.00 0.00 58.87 59.70 2emg n SER 5 Cb 0.00 -0.25 0.17 0.00 -1.01 0.00 0.00 64.21 63.12 2emg n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2emg s SER 6 N -5.67 2.69 0.00 6.43 0.01 -1.26 -5.08 113.70 110.81 2emg s SER 6 Ca -0.08 1.12 0.00 0.00 1.31 0.00 0.00 55.95 58.30 2emg s SER 6 Cb 0.03 -1.77 0.00 0.00 0.21 0.00 0.00 66.02 64.48 2emg s SER 6 CO 0.11 -3.09 0.00 0.61 0.41 0.00 0.00 173.24 171.28 2emg n GLY 7 N -1.27 5.04 3.56 3.44 0.00 -1.26 -5.09 105.19 109.61 2emg n GLY 7 Ca 0.05 -1.50 -0.41 0.00 0.00 0.00 0.00 46.02 44.17 2emg n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2emg s THR 8 N -1.12 3.76 -0.39 2.61 -4.23 -1.26 -4.94 115.64 110.07 2emg s THR 8 Ca 0.00 0.56 -0.30 0.00 -1.18 0.00 0.00 61.69 60.76 2emg s THR 8 Cb 0.00 -4.66 -0.09 0.00 1.34 0.00 0.00 72.50 69.09 2emg s THR 8 CO 0.00 -1.48 2.29 0.61 -0.54 0.00 0.00 174.62 175.50 2emg n GLY 9 N 5.32 0.52 2.61 3.99 0.00 -1.26 -4.89 105.19 111.48 2emg n GLY 9 Ca 0.08 0.83 -0.29 0.00 0.00 0.00 0.00 46.02 46.64 2emg n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2emg s GLU 10 N 6.97 0.95 0.04 1.61 2.02 -1.26 -5.11 118.70 123.92 2emg s GLU 10 Ca 1.06 -1.67 -0.03 0.00 0.02 0.00 0.00 54.97 54.35 2emg s GLU 10 Cb -0.55 -1.89 -0.02 0.00 0.10 0.00 0.00 34.13 31.77 2emg s GLU 10 CO 0.39 -1.17 0.04 -0.80 0.02 0.00 0.00 175.26 173.74 2emg s ASN 11 N 0.73 0.27 -0.02 -0.19 0.01 -1.26 -5.08 114.94 109.40 2emg s ASN 11 Ca 0.17 -0.66 -0.26 0.00 -0.71 0.00 0.00 52.86 51.41 2emg s ASN 11 Cb -0.23 0.20 -0.20 0.00 0.41 0.00 0.00 41.25 41.43 2emg s ASN 11 CO -0.01 -0.50 1.24 1.55 -1.51 0.00 0.00 177.10 177.86 2emg h PRO 12 N 3.68 -0.04 -2.16 -0.60 0.13 -1.98 -3.45 132.00 127.58 2emg h PRO 12 Ca -0.33 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.82 2emg h PRO 12 Cb 1.18 0.01 -0.22 0.00 0.13 0.00 0.00 31.00 32.09 2emg h PRO 12 CO 0.53 0.43 -0.18 -0.06 -0.23 0.00 0.00 178.00 178.49 2emg s PHE 13 N -4.22 -1.15 0.16 1.56 0.08 -1.26 -5.05 117.98 108.11 2emg s PHE 13 Ca -0.16 2.06 0.10 0.00 0.12 0.00 0.00 56.93 59.06 2emg s PHE 13 Cb 0.02 0.64 -0.04 0.00 -0.57 0.00 0.00 43.02 43.06 2emg s PHE 13 CO 0.65 -0.59 -0.19 0.42 -0.10 0.00 0.00 175.22 175.41 2emg s ILE 14 N 2.62 2.68 -0.96 0.64 1.01 -1.26 -1.32 121.20 124.61 2emg s ILE 14 Ca -0.06 -1.75 -0.18 0.00 0.00 0.00 0.00 60.65 58.67 2emg s ILE 14 Cb -0.11 -2.26 0.14 0.00 0.01 0.00 0.00 42.46 40.24 2emg s ILE 14 CO -0.17 -0.02 1.14 0.00 0.00 0.00 0.00 174.94 175.89 2emg h SER 16 N 8.56 0.00 0.22 0.00 0.87 -1.95 1.47 113.55 122.72 2emg h SER 16 Ca 0.17 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.72 2emg h SER 16 Cb 1.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 2emg h SER 16 CO 1.10 0.00 -0.11 -0.33 -0.53 0.00 0.00 176.83 176.96 2emg h GLU 17 N 0.00 -0.28 0.00 2.24 5.08 -1.99 -3.41 114.58 116.21 2emg h GLU 17 Ca 0.40 0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.64 2emg h GLU 17 Cb 2.39 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 31.68 2emg h GLU 17 CO -0.00 -0.01 -1.44 0.00 -1.00 0.00 0.00 179.01 176.55 2emg n GLY 19 N 2.52 1.71 3.67 0.00 0.00 0.46 -4.99 105.19 108.56 2emg n GLY 19 Ca -0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 2emg n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2emg s LYS 20 N 0.00 4.13 0.04 1.61 2.20 -1.26 -4.68 119.74 121.78 2emg s LYS 20 Ca 0.00 0.01 -0.19 0.00 -0.36 0.00 0.00 55.97 55.44 2emg s LYS 20 Cb 0.00 -3.54 -0.06 0.00 -1.51 0.00 0.00 37.83 32.72 2emg s LYS 20 CO 0.00 0.01 0.54 0.54 -0.36 0.00 0.00 175.35 176.08 2emg s VAL 21 N 1.20 4.84 0.09 4.02 0.11 -1.26 -1.47 120.40 127.94 2emg s VAL 21 Ca 0.14 1.14 0.07 0.00 -2.93 0.00 0.00 61.98 60.40 2emg s VAL 21 Cb -0.14 -3.87 -0.03 0.00 -1.53 0.00 0.00 36.38 30.81 2emg s VAL 21 CO 0.06 0.52 -0.18 -0.36 -3.33 0.00 0.00 175.10 171.82 2emg s PHE 22 N -0.85 1.55 0.02 1.54 0.40 -0.43 -5.01 117.98 115.19 2emg s PHE 22 Ca 0.28 -0.44 -0.15 0.00 -0.60 0.00 0.00 56.93 56.02 2emg s PHE 22 Cb -0.19 -0.85 -0.35 0.00 0.51 0.00 0.00 43.02 42.14 2emg s PHE 22 CO 0.17 0.15 0.95 1.15 0.70 0.00 0.00 175.22 178.34 2emg h THR 23 N 4.13 1.23 -3.45 0.64 2.02 -1.98 -3.34 112.91 112.15 2emg h THR 23 Ca -0.44 -2.67 -0.61 0.00 0.77 0.00 0.00 66.41 63.46 2emg h THR 23 Cb 1.19 3.00 -0.14 0.00 -1.74 0.00 0.00 68.15 70.47 2emg h THR 23 CO 0.40 0.82 -0.50 -2.28 0.37 0.00 0.00 175.52 174.33 2emg s HIS 24 N -2.60 3.35 0.43 3.16 5.65 -1.26 -4.97 115.29 119.06 2emg s HIS 24 Ca -0.10 0.26 0.19 0.00 0.25 0.00 0.00 55.06 55.66 2emg s HIS 24 Cb 0.04 -2.22 1.12 0.00 -1.18 0.00 0.00 32.58 30.34 2emg s HIS 24 CO 0.93 0.16 1.88 -0.22 -0.65 0.00 0.00 174.74 176.84 2emg h LYS 25 N 7.16 0.35 -0.17 2.88 3.64 -1.99 -0.27 116.57 128.16 2emg h LYS 25 Ca -0.39 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 58.79 2emg h LYS 25 Cb 1.16 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.91 2emg h LYS 25 CO 0.70 0.23 -0.57 1.15 -2.27 0.00 0.00 179.45 178.70 2emg h THR 26 N 0.36 1.31 -0.93 1.00 2.02 -1.99 -3.07 112.91 111.62 2emg h THR 26 Ca 0.44 -1.80 0.12 0.00 0.77 0.00 0.00 66.41 65.94 2emg h THR 26 Cb 1.14 1.95 -0.09 0.00 -1.74 0.00 0.00 68.15 69.41 2emg h THR 26 CO -0.15 0.56 0.56 0.78 0.37 0.00 0.00 175.52 177.65 2emg h ASN 27 N 0.39 0.79 -0.10 4.18 4.21 -1.46 -1.25 115.58 122.34 2emg h ASN 27 Ca -0.02 0.06 -0.01 0.00 1.21 0.00 0.00 56.30 57.54 2emg h ASN 27 Cb 1.19 -0.09 -0.00 0.00 -1.12 0.00 0.00 38.32 38.29 2emg h ASN 27 CO 0.12 0.40 0.03 0.25 -1.29 0.00 0.00 177.43 176.94 2emg h LEU 28 N 0.87 0.14 -0.50 1.61 5.85 -1.46 -2.54 115.31 119.28 2emg h LEU 28 Ca 0.47 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 59.05 2emg h LEU 28 Cb 0.52 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.45 2emg h LEU 28 CO -0.29 0.32 0.18 0.40 -0.34 0.00 0.00 178.44 178.71 2emg h ILE 29 N -0.04 0.83 -0.38 4.05 2.04 -1.26 0.29 117.51 123.04 2emg h ILE 29 Ca 0.03 -0.12 0.03 0.00 1.00 0.00 0.00 64.86 65.80 2emg h ILE 29 Cb 0.23 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 2emg h ILE 29 CO -0.00 0.06 0.25 0.40 0.00 0.00 0.00 178.15 178.87 2emg h ILE 30 N 0.35 1.02 0.26 -0.67 2.04 -1.16 -3.03 117.51 116.32 2emg h ILE 30 Ca 0.24 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 2emg h ILE 30 Cb 0.25 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 2emg h ILE 30 CO -0.24 0.07 -0.13 -0.74 0.00 0.00 0.00 178.15 177.11 2emg h HIS 31 N 0.39 -0.32 -1.59 1.37 -0.00 -0.71 -3.24 115.15 111.04 2emg h HIS 31 Ca 0.15 -0.01 0.46 0.00 -0.00 0.00 0.00 60.37 60.98 2emg h HIS 31 Cb 0.13 0.11 -0.06 0.00 -0.00 0.00 0.00 27.41 27.58 2emg h HIS 31 CO -0.00 -0.15 1.15 1.04 -0.00 0.00 0.00 177.93 179.98 2emg n GLN 32 N -5.01 0.00 -0.23 5.26 6.02 -0.06 0.63 117.38 123.99 2emg n GLN 32 Ca -0.05 0.88 0.03 0.00 -0.01 0.00 0.00 57.00 57.85 2emg n GLN 32 Cb 0.16 -2.03 0.13 0.00 1.02 0.00 0.00 30.24 29.53 2emg n GLN 32 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 2emg h LYS 33 N 0.00 0.11 -0.93 -1.09 1.57 -1.57 0.41 116.57 115.07 2emg h LYS 33 Ca 0.76 -0.01 0.27 0.00 -1.87 0.00 0.00 60.65 59.80 2emg h LYS 33 Cb 3.06 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 35.30 2emg h LYS 33 CO -0.01 0.07 0.96 -0.84 -0.57 0.00 0.00 179.45 179.06 2emg h ILE 34 N 0.12 0.15 0.04 1.86 3.07 -0.02 1.06 117.51 123.79 2emg h ILE 34 Ca 0.37 0.00 -0.27 0.00 1.55 0.00 0.00 64.86 66.51 2emg h ILE 34 Cb 0.63 0.25 0.02 0.00 -0.27 0.00 0.00 36.82 37.45 2emg h ILE 34 CO -0.60 0.00 -1.09 0.45 -1.05 0.00 0.00 178.15 175.86 2emg h HIS 35 N 0.00 0.92 -1.82 0.16 3.86 -0.36 -3.46 115.15 114.45 2emg h HIS 35 Ca 0.44 -0.53 -0.53 0.00 -1.16 0.00 0.00 60.37 58.59 2emg h HIS 35 Cb 2.35 -0.09 0.19 0.00 1.06 0.00 0.00 27.41 30.92 2emg h HIS 35 CO 0.00 1.37 -1.32 -2.37 0.86 0.00 0.00 177.93 176.47 2emg n THR 36 N -3.80 0.00 0.00 2.45 5.66 0.37 -4.72 114.28 114.24 2emg n THR 36 Ca -0.11 -0.46 0.00 0.00 -3.05 0.00 0.00 64.05 60.44 2emg n THR 36 Cb 0.91 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.69 2emg n THR 36 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2emg n GLY 37 N 2.65 -0.59 3.66 1.09 0.00 -1.26 -5.07 105.19 105.67 2emg n GLY 37 Ca 0.04 0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 2emg n GLY 37 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2emg s GLU 38 N 0.00 2.79 -0.15 1.61 -1.05 -1.26 -5.11 118.70 115.53 2emg s GLU 38 Ca 0.00 -0.57 -0.29 0.00 -0.15 0.00 0.00 54.97 53.96 2emg s GLU 38 Cb 0.00 -2.66 0.09 0.00 -0.44 0.00 0.00 34.13 31.12 2emg s GLU 38 CO 0.00 0.64 0.82 -0.98 0.95 0.00 0.00 175.26 176.69 2emg s ARG 39 N -1.29 0.82 0.35 -4.83 3.03 -1.26 -5.03 118.95 110.73 2emg s ARG 39 Ca 0.17 0.39 0.27 0.00 2.03 0.00 0.00 55.73 58.58 2emg s ARG 39 Cb -0.11 0.39 1.11 0.00 -1.03 0.00 0.00 34.95 35.31 2emg s ARG 39 CO 0.07 -0.22 1.79 -1.00 -1.13 0.00 0.00 175.30 174.82 2emg h PRO 40 N 3.35 0.00 -7.01 3.89 0.13 -2.05 -3.46 132.00 126.84 2emg h PRO 40 Ca -0.25 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.28 2emg h PRO 40 Cb 1.15 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 31.99 2emg h PRO 40 CO 0.28 0.00 -0.89 -1.13 -0.23 0.00 0.00 178.00 176.03 2emg n SER 41 N -2.49 -1.91 -0.99 1.44 3.41 -1.26 -4.28 113.62 107.54 2emg n SER 41 Ca 0.02 -1.16 0.00 0.00 -0.26 0.00 0.00 58.87 57.46 2emg n SER 41 Cb 0.25 -2.04 0.00 0.00 -0.26 0.00 0.00 64.21 62.15 2emg n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2emg n GLY 42 N -1.39 -4.14 0.23 5.00 0.00 -1.26 -4.81 105.19 98.81 2emg n GLY 42 Ca 0.03 -0.77 -0.08 0.00 0.00 0.00 0.00 46.02 45.20 2emg n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2emg h PRO 43 N 1.36 0.58 -4.05 1.61 0.13 -2.02 -3.35 132.00 126.26 2emg h PRO 43 Ca 0.00 -0.31 -0.66 0.00 -0.87 0.00 0.00 66.00 64.16 2emg h PRO 43 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2emg h PRO 43 CO 0.00 0.90 2.86 -1.13 -0.23 0.00 0.00 178.00 180.40 2emg n SER 44 N -4.02 3.84 -3.59 1.44 3.41 -1.26 -4.78 113.62 108.66 2emg n SER 44 Ca -0.02 -2.73 -0.28 0.00 -0.26 0.00 0.00 58.87 55.59 2emg n SER 44 Cb 0.53 -1.42 -0.16 0.00 -0.26 0.00 0.00 64.21 62.90 2emg n SER 44 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2emg s SER 45 N 3.77 2.96 0.00 4.04 0.01 -1.26 -5.21 113.70 118.02 2emg s SER 45 Ca 0.52 -0.96 0.21 0.00 1.31 0.00 0.00 55.95 57.03 2emg s SER 45 Cb 0.14 -0.33 0.17 0.00 0.21 0.00 0.00 66.02 66.21 2emg s SER 45 CO -0.01 -0.39 1.16 0.61 0.41 0.00 0.00 173.24 175.02