#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rel s GLN 2 N 0.00 0.79 -0.44 0.00 0.74 -1.26 -5.12 119.66 114.37 2rel s GLN 2 Ca 0.00 0.53 0.06 0.00 0.05 0.00 0.00 55.36 56.00 2rel s GLN 2 Cb 0.00 0.38 0.18 0.00 1.10 0.00 0.00 33.01 34.66 2rel s GLN 2 CO 0.00 -0.18 0.55 -1.21 -0.55 0.00 0.00 175.29 173.90 2rel s GLU 3 N -0.40 0.89 0.00 1.67 8.01 -1.26 -4.97 118.70 122.65 2rel s GLU 3 Ca -0.03 -1.11 0.27 0.00 0.01 0.00 0.00 54.97 54.11 2rel s GLU 3 Cb -0.03 -0.48 1.60 0.00 -4.31 0.00 0.00 34.13 30.92 2rel s GLU 3 CO 0.02 -1.29 1.99 -0.35 0.01 0.00 0.00 175.26 175.64 2rel n PRO 4 N 3.48 0.92 -1.72 0.39 -0.04 -1.26 -4.87 135.00 131.89 2rel n PRO 4 Ca 0.18 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.21 2rel n PRO 4 Cb 0.52 -1.46 -0.01 0.00 -0.04 0.00 0.00 33.50 32.51 2rel n PRO 4 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2rel n VAL 5 N -0.96 1.55 -0.33 0.52 3.14 -1.26 -4.85 118.33 116.14 2rel n VAL 5 Ca 0.20 -0.39 -0.14 0.00 -2.96 0.00 0.00 64.34 61.05 2rel n VAL 5 Cb 0.09 -1.73 0.10 0.00 -1.06 0.00 0.00 33.84 31.25 2rel n VAL 5 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 2rel n LYS 6 N 1.22 1.74 -2.88 1.45 5.02 -1.26 -4.33 118.16 119.12 2rel n LYS 6 Ca 0.06 -1.77 -0.12 0.00 -2.02 0.00 0.00 58.31 54.46 2rel n LYS 6 Cb 0.36 -1.69 0.04 0.00 -0.02 0.00 0.00 35.03 33.71 2rel n LYS 6 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2rel n GLY 7 N -0.45 1.31 0.00 0.72 0.00 -1.26 -4.94 105.19 100.57 2rel n GLY 7 Ca 0.35 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2rel n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2rel n PRO 8 N 0.78 0.00 0.00 1.61 -0.04 -1.26 -5.04 135.00 131.05 2rel n PRO 8 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2rel n PRO 8 Cb 0.66 -0.20 0.00 0.00 -0.04 0.00 0.00 33.50 33.92 2rel n PRO 8 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2rel n VAL 9 N -0.15 0.00 -0.69 0.52 3.14 -1.26 -4.98 118.33 114.91 2rel n VAL 9 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2rel n VAL 9 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2rel n VAL 9 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2rel n SER 10 N -0.59 0.00 -3.44 6.55 7.64 -1.26 -4.09 113.62 118.43 2rel n SER 10 Ca 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.55 2rel n SER 10 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 2rel n SER 10 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2rel n THR 11 N 0.00 4.00 -0.07 0.44 -1.04 -1.26 -4.81 114.28 111.54 2rel n THR 11 Ca 0.00 -5.65 -0.08 0.00 -2.04 0.00 0.00 64.05 56.28 2rel n THR 11 Cb 0.00 -1.77 -0.06 0.00 -1.82 0.00 0.00 70.33 66.68 2rel n THR 11 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2rel h LYS 12 N 4.08 0.00 -7.80 -2.82 6.56 -1.94 -3.47 116.57 111.17 2rel h LYS 12 Ca 0.25 0.00 -0.45 0.00 -1.06 0.00 0.00 60.65 59.39 2rel h LYS 12 Cb 0.53 0.00 0.16 0.00 -0.57 0.00 0.00 32.23 32.35 2rel h LYS 12 CO 1.01 0.47 0.42 -1.25 -2.06 0.00 0.00 179.45 178.04 2rel s PRO 13 N -1.97 0.70 0.25 3.15 0.04 -1.26 -4.94 135.00 130.97 2rel s PRO 13 Ca -0.12 -0.36 0.00 0.00 0.04 0.00 0.00 61.00 60.56 2rel s PRO 13 Cb -0.00 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.69 2rel s PRO 13 CO 0.34 -2.38 0.00 0.41 0.04 0.00 0.00 177.00 175.41 2rel n GLY 14 N -3.67 -3.52 3.49 0.56 0.00 -1.26 -4.85 105.19 95.94 2rel n GLY 14 Ca 0.15 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.71 2rel n GLY 14 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2rel s SER 15 N -3.42 6.03 0.24 1.61 0.15 -1.26 -4.92 113.70 112.13 2rel s SER 15 Ca 0.00 -0.64 -0.30 0.00 0.70 0.00 0.00 55.95 55.72 2rel s SER 15 Cb 0.00 -2.13 -0.09 0.00 -1.71 0.00 0.00 66.02 62.09 2rel s SER 15 CO 0.00 -0.32 1.18 0.00 1.20 0.00 0.00 173.24 175.30 2rel s PRO 17 N -0.93 2.07 -0.11 0.00 0.04 -1.26 -5.00 135.00 129.81 2rel s PRO 17 Ca 0.49 0.19 -0.15 0.00 0.04 0.00 0.00 61.00 61.56 2rel s PRO 17 Cb -0.34 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.20 2rel s PRO 17 CO 0.41 -1.54 0.38 0.42 0.04 0.00 0.00 177.00 176.71 2rel s ILE 18 N -3.52 5.21 0.53 0.56 1.09 -1.26 -4.82 121.20 118.99 2rel s ILE 18 Ca 0.61 0.74 0.05 0.00 -1.10 0.00 0.00 60.65 60.96 2rel s ILE 18 Cb -0.11 -3.71 0.05 0.00 -1.06 0.00 0.00 42.46 37.63 2rel s ILE 18 CO 0.50 0.42 0.73 -0.63 -0.10 0.00 0.00 174.94 175.85 2rel s ILE 19 N 0.14 2.63 0.09 2.92 -1.09 -1.26 -5.02 121.20 119.62 2rel s ILE 19 Ca 0.21 -0.84 -0.30 0.00 -2.23 0.00 0.00 60.65 57.50 2rel s ILE 19 Cb -0.14 -2.80 -0.13 0.00 -1.58 0.00 0.00 42.46 37.80 2rel s ILE 19 CO 0.08 0.00 1.63 0.17 -1.23 0.00 0.00 174.94 175.59 2rel h LEU 20 N 0.22 -0.83 0.00 2.97 -0.00 -1.98 -3.48 115.31 112.21 2rel h LEU 20 Ca -0.38 0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.57 2rel h LEU 20 Cb 1.29 0.28 0.00 0.00 -0.00 0.00 0.00 40.66 42.22 2rel h LEU 20 CO 0.46 -0.45 0.00 -0.38 -0.00 0.00 0.00 178.44 178.07 2rel n ILE 21 N -5.43 0.00 -3.49 0.15 2.08 -1.26 -5.12 119.36 106.29 2rel n ILE 21 Ca -0.10 0.00 -0.22 0.00 0.56 0.00 0.00 62.75 62.99 2rel n ILE 21 Cb 0.33 0.00 -0.13 0.00 -0.75 0.00 0.00 39.64 39.09 2rel n ILE 21 CO 0.00 0.00 0.00 -0.60 0.56 0.00 0.00 176.55 176.51 2rel s ARG 22 N 1.46 0.23 -0.24 0.38 3.00 -1.26 -4.52 118.95 118.00 2rel s ARG 22 Ca 0.00 -0.22 -0.35 0.00 -1.00 0.00 0.00 55.73 54.16 2rel s ARG 22 Cb 0.00 -1.05 -0.16 0.00 0.00 0.00 0.00 34.95 33.74 2rel s ARG 22 CO 0.00 -0.93 1.10 0.00 0.00 0.00 0.00 175.30 175.48 2rel n ALA 24 N 2.38 6.81 -3.73 0.00 0.00 -1.26 -4.86 120.51 119.84 2rel n ALA 24 Ca 0.21 -3.90 -0.27 0.00 0.00 0.00 0.00 53.44 49.48 2rel n ALA 24 Cb -0.00 -2.72 -0.17 0.00 0.00 0.00 0.00 19.45 16.56 2rel n ALA 24 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2rel s MET 25 N -1.03 1.79 0.00 0.00 -1.94 -1.26 -4.98 119.30 111.88 2rel s MET 25 Ca 0.56 -0.39 0.18 0.00 -1.71 0.00 0.00 55.69 54.33 2rel s MET 25 Cb 0.21 -1.64 1.10 0.00 2.01 0.00 0.00 34.83 36.51 2rel s MET 25 CO -0.11 -0.13 1.64 1.47 -0.01 0.00 0.00 175.02 177.88 2rel n LEU 26 N 4.43 0.00 -3.57 -0.03 -0.00 -1.26 -4.11 117.00 112.46 2rel n LEU 26 Ca -0.17 0.00 -0.27 0.00 -0.00 0.00 0.00 56.01 55.56 2rel n LEU 26 Cb 0.51 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.83 2rel n LEU 26 CO 0.21 0.00 -0.16 0.59 -0.00 0.00 0.00 177.39 178.03 2rel n ASN 27 N -0.82 1.46 -4.73 1.45 3.02 -1.26 -5.09 115.26 109.29 2rel n ASN 27 Ca 0.14 -2.86 -0.41 0.00 -0.03 0.00 0.00 54.58 51.41 2rel n ASN 27 Cb 0.06 -0.66 -0.04 0.00 -0.61 0.00 0.00 39.78 38.54 2rel n ASN 27 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2rel s PRO 28 N -0.98 4.65 0.14 3.52 0.04 -1.26 -5.06 135.00 136.06 2rel s PRO 28 Ca 0.31 1.55 -0.02 0.00 0.04 0.00 0.00 61.00 62.87 2rel s PRO 28 Cb 0.04 -3.35 0.03 0.00 0.04 0.00 0.00 34.50 31.26 2rel s PRO 28 CO -0.16 0.14 0.18 -0.35 0.04 0.00 0.00 177.00 176.85 2rel n PRO 29 N 2.75 -0.43 -3.17 0.56 -0.04 -1.26 -4.92 135.00 128.49 2rel n PRO 29 Ca 0.03 -0.28 0.02 0.00 -0.04 0.00 0.00 63.50 63.23 2rel n PRO 29 Cb 0.48 -0.20 -0.01 0.00 -0.04 0.00 0.00 33.50 33.73 2rel n PRO 29 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2rel s ASN 30 N -1.73 -1.33 0.35 3.54 0.01 -1.26 -4.33 114.94 110.19 2rel s ASN 30 Ca 0.10 0.14 0.19 0.00 -0.71 0.00 0.00 52.86 52.58 2rel s ASN 30 Cb -0.00 1.91 0.21 0.00 0.41 0.00 0.00 41.25 43.77 2rel s ASN 30 CO 0.07 -0.31 1.52 0.03 -1.51 0.00 0.00 177.10 176.91 2rel h ARG 31 N 8.02 0.00 -2.54 -0.60 3.08 -1.93 -3.47 114.38 116.94 2rel h ARG 31 Ca -0.03 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.11 2rel h ARG 31 Cb 1.18 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 31.12 2rel h ARG 31 CO 0.17 0.30 0.40 0.00 -1.07 0.00 0.00 179.97 179.76 2rel n LEU 33 N -0.36 -0.64 0.00 0.00 -0.00 -1.26 -4.71 117.00 110.03 2rel n LEU 33 Ca -0.09 -1.77 0.00 0.00 -0.00 0.00 0.00 56.01 54.15 2rel n LEU 33 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.04 2rel n LEU 33 CO 0.12 1.30 0.00 0.29 -0.00 0.00 0.00 177.39 179.11 2rel n LYS 34 N 0.03 0.00 -2.66 1.47 5.02 -1.26 -4.88 118.16 115.89 2rel n LYS 34 Ca -0.19 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.05 2rel n LYS 34 Cb 0.69 0.00 0.11 0.00 -0.02 0.00 0.00 35.03 35.81 2rel n LYS 34 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2rel n ASP 35 N -0.13 -1.66 -3.19 4.39 2.03 -1.26 -4.77 116.55 111.97 2rel n ASP 35 Ca 0.00 -2.29 -0.23 0.00 0.52 0.00 0.00 54.79 52.79 2rel n ASP 35 Cb 0.00 0.87 -0.05 0.00 -0.72 0.00 0.00 41.12 41.21 2rel n ASP 35 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 2rel n THR 36 N -0.95 0.44 -3.08 5.18 5.66 -1.26 -5.08 114.28 115.20 2rel n THR 36 Ca -0.10 -4.61 0.00 0.00 -3.05 0.00 0.00 64.05 56.29 2rel n THR 36 Cb 0.84 -1.26 0.00 0.00 -1.55 0.00 0.00 70.33 68.36 2rel n THR 36 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2rel n ASP 37 N 0.68 0.00 -3.41 1.09 8.00 -1.26 -4.89 116.55 116.75 2rel n ASP 37 Ca 0.25 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.48 2rel n ASP 37 Cb 0.54 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.66 2rel n ASP 37 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2rel h PRO 39 N 1.39 0.00 0.00 0.00 0.13 -1.98 -3.40 132.00 128.14 2rel h PRO 39 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2rel h PRO 39 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2rel h PRO 39 CO 0.26 0.37 0.00 0.41 -0.23 0.00 0.00 178.00 178.81 2rel n GLY 40 N 0.55 -0.72 2.31 1.56 0.00 -1.26 -4.81 105.19 102.82 2rel n GLY 40 Ca 0.01 -1.43 -0.23 0.00 0.00 0.00 0.00 46.02 44.36 2rel n GLY 40 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2rel n ILE 41 N -0.12 3.42 -4.48 -0.61 3.06 -1.26 -4.87 119.36 114.49 2rel n ILE 41 Ca 0.00 -2.57 -0.25 0.00 -2.50 0.00 0.00 62.75 57.43 2rel n ILE 41 Cb 0.00 -1.82 -0.08 0.00 0.54 0.00 0.00 39.64 38.28 2rel n ILE 41 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 2rel s LYS 42 N -0.56 1.89 0.34 9.51 3.01 -1.26 -4.15 119.74 128.53 2rel s LYS 42 Ca 0.62 -2.15 -0.18 0.00 -1.01 0.00 0.00 55.97 53.26 2rel s LYS 42 Cb 0.34 -0.50 0.05 0.00 -1.01 0.00 0.00 37.83 36.70 2rel s LYS 42 CO -0.13 -0.49 0.78 0.15 0.51 0.00 0.00 175.35 176.17 2rel s LYS 43 N -3.69 2.06 -0.01 1.68 3.01 -1.08 -4.80 119.74 116.91 2rel s LYS 43 Ca 0.26 -1.28 -0.30 0.00 -1.01 0.00 0.00 55.97 53.64 2rel s LYS 43 Cb 0.03 0.61 -0.03 0.00 -1.01 0.00 0.00 37.83 37.43 2rel s LYS 43 CO 0.16 -0.96 1.05 0.00 0.51 0.00 0.00 175.35 176.10 2rel s GLU 46 N -0.80 3.67 0.00 0.00 2.12 -1.26 -2.68 118.70 119.75 2rel s GLU 46 Ca 0.00 0.37 0.00 0.00 0.36 0.00 0.00 54.97 55.70 2rel s GLU 46 Cb 0.00 -2.37 0.00 0.00 0.26 0.00 0.00 34.13 32.02 2rel s GLU 46 CO 0.00 -0.13 0.69 0.41 -0.54 0.00 0.00 175.26 175.69 2rel n GLY 47 N -1.78 0.81 3.51 -1.50 0.00 -1.26 -4.70 105.19 100.28 2rel n GLY 47 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2rel n GLY 47 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2rel n SER 48 N 0.00 0.00 -3.54 1.61 3.41 -1.26 -4.79 113.62 109.05 2rel n SER 48 Ca -0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.33 2rel n SER 48 Cb 0.58 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.38 2rel n SER 48 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2rel n GLY 50 N 5.26 3.21 3.38 0.00 0.00 -1.26 -4.64 105.19 111.14 2rel n GLY 50 Ca -0.06 -0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 2rel n GLY 50 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2rel s MET 51 N 0.00 0.97 0.07 1.61 1.00 -1.26 -4.08 119.30 117.61 2rel s MET 51 Ca 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 55.69 55.51 2rel s MET 51 Cb 0.00 0.44 0.01 0.00 0.00 0.00 0.00 34.83 35.28 2rel s MET 51 CO 0.00 -0.33 0.12 0.00 0.00 0.00 0.00 175.02 174.81 2rel n ALA 52 N 0.63 -0.21 -2.62 3.03 0.00 -1.09 -3.25 120.51 117.00 2rel n ALA 52 Ca -0.19 -0.25 -0.42 0.00 0.00 0.00 0.00 53.44 52.58 2rel n ALA 52 Cb 0.59 0.20 -0.03 0.00 0.00 0.00 0.00 19.45 20.21 2rel n ALA 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rel s PHE 54 N 0.92 1.86 -0.44 0.00 0.08 0.01 -4.84 117.98 115.58 2rel s PHE 54 Ca 0.53 -1.08 -0.18 0.00 0.12 0.00 0.00 56.93 56.32 2rel s PHE 54 Cb -0.23 -1.21 0.03 0.00 -0.57 0.00 0.00 43.02 41.04 2rel s PHE 54 CO 0.28 -0.11 0.48 0.54 -0.10 0.00 0.00 175.22 176.32 2rel s VAL 55 N -3.32 5.04 0.00 -0.44 0.11 -1.26 -2.63 120.40 117.89 2rel s VAL 55 Ca 0.33 -0.38 0.00 0.00 -2.93 0.00 0.00 61.98 59.00 2rel s VAL 55 Cb 0.07 -4.10 0.00 0.00 -1.53 0.00 0.00 36.38 30.81 2rel s VAL 55 CO 0.15 -0.51 0.00 -0.81 -3.33 0.00 0.00 175.10 170.59 2rel n PRO 56 N 5.73 1.68 0.00 1.54 -0.04 -1.26 -4.73 135.00 137.92 2rel n PRO 56 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 2rel n PRO 56 Cb 0.47 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.93 2rel n PRO 56 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50