#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2crs s LYS 2 N 0.00 0.34 0.00 3.23 1.02 -1.25 -1.51 119.74 121.57 2crs s LYS 2 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 55.97 55.98 2crs s LYS 2 Cb 0.00 -0.58 0.00 0.00 -0.52 0.00 0.00 37.83 36.73 2crs s LYS 2 CO 0.00 -0.99 0.00 0.00 -0.92 0.00 0.00 175.35 173.44 2crs s ASN 4 N 0.58 3.99 0.00 0.00 2.47 -1.26 -1.28 114.94 119.44 2crs s ASN 4 Ca 0.00 -0.64 0.00 0.00 0.42 0.00 0.00 52.86 52.64 2crs s ASN 4 Cb 0.00 -0.58 0.00 0.00 -1.45 0.00 0.00 41.25 39.22 2crs s ASN 4 CO 0.00 0.12 0.00 1.17 -3.72 0.00 0.00 177.10 174.67 2crs n LYS 5 N 0.27 3.92 0.00 0.43 4.81 -0.54 -4.53 118.16 122.51 2crs n LYS 5 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.32 2crs n LYS 5 Cb 0.55 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.60 2crs n LYS 5 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 2crs n LEU 6 N 0.00 0.00 0.02 3.14 -0.00 -1.26 -4.93 117.00 113.97 2crs n LEU 6 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 56.01 55.79 2crs n LEU 6 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.28 2crs n LEU 6 CO 0.00 0.00 -0.44 0.58 -0.00 0.00 0.00 177.39 177.53 2crs h VAL 7 N 0.00 1.02 -3.51 1.47 2.07 -1.98 -3.45 116.25 111.87 2crs h VAL 7 Ca 0.00 -2.43 -0.56 0.00 0.82 0.00 0.00 66.70 64.53 2crs h VAL 7 Cb 0.00 2.74 -0.06 0.00 -1.52 0.00 0.00 31.29 32.44 2crs h VAL 7 CO 0.00 0.74 0.93 -2.16 0.02 0.00 0.00 177.57 177.10 2crs s PRO 8 N -2.50 3.81 0.23 1.57 0.04 -1.26 -4.87 135.00 132.03 2crs s PRO 8 Ca -0.19 0.80 0.00 0.00 0.04 0.00 0.00 61.00 61.65 2crs s PRO 8 Cb 0.04 -3.88 0.00 0.00 0.04 0.00 0.00 34.50 30.71 2crs s PRO 8 CO 0.79 -1.26 0.00 1.28 0.04 0.00 0.00 177.00 177.85 2crs n LEU 9 N 7.69 -0.47 -0.00 -3.56 4.77 -1.26 -4.72 117.00 119.45 2crs n LEU 9 Ca 0.13 1.04 0.02 0.00 -0.03 0.00 0.00 56.01 57.17 2crs n LEU 9 Cb 0.48 -3.06 -0.03 0.00 -2.33 0.00 0.00 43.42 38.48 2crs n LEU 9 CO 0.68 -2.26 -0.50 2.22 -1.33 0.00 0.00 177.39 176.20 2crs n PHE 10 N -2.98 0.00 -4.38 -1.77 -1.74 -1.26 -4.19 117.46 101.14 2crs n PHE 10 Ca -0.00 0.00 -0.28 0.00 -0.56 0.00 0.00 57.45 56.61 2crs n PHE 10 Cb 0.61 -0.08 -0.12 0.00 1.52 0.00 0.00 39.48 41.41 2crs n PHE 10 CO 0.00 0.00 0.00 1.52 -0.56 0.00 0.00 176.76 177.72 2crs s TYR 11 N -2.19 2.38 -0.02 2.97 1.13 -1.26 -1.47 117.35 118.89 2crs s TYR 11 Ca -0.01 -0.33 0.01 0.00 -1.41 0.00 0.00 57.07 55.33 2crs s TYR 11 Cb 0.02 -1.21 0.01 0.00 -1.10 0.00 0.00 41.96 39.68 2crs s TYR 11 CO 0.16 0.45 -0.04 -1.59 -2.51 0.00 0.00 175.55 172.02 2crs s LYS 12 N -2.49 0.51 -0.39 -3.49 -2.85 -0.40 -4.69 119.74 105.93 2crs s LYS 12 Ca 0.20 -0.12 -0.15 0.00 -1.00 0.00 0.00 55.97 54.89 2crs s LYS 12 Cb -0.09 -0.53 0.01 0.00 -2.06 0.00 0.00 37.83 35.16 2crs s LYS 12 CO 0.10 0.02 0.30 0.99 0.10 0.00 0.00 175.35 176.86 2crs s THR 13 N 0.32 5.25 -0.42 3.79 2.01 -1.26 -1.73 115.64 123.60 2crs s THR 13 Ca -0.04 -0.49 0.10 0.00 0.31 0.00 0.00 61.69 61.57 2crs s THR 13 Cb -0.07 -3.88 0.35 0.00 0.01 0.00 0.00 72.50 68.91 2crs s THR 13 CO -0.00 -0.24 0.80 0.00 -0.69 0.00 0.00 174.62 174.49 2crs h PRO 15 N 2.99 -0.02 0.19 0.00 0.13 -1.78 -1.41 132.00 132.10 2crs h PRO 15 Ca 0.10 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.91 2crs h PRO 15 Cb 0.86 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.01 2crs h PRO 15 CO 0.58 -0.01 -1.54 0.00 -0.23 0.00 0.00 178.00 176.81 2crs h ALA 16 N -1.80 0.04 -0.01 -0.56 0.00 -1.96 -3.35 119.26 111.63 2crs h ALA 16 Ca -0.00 -0.99 0.03 0.00 0.00 0.00 0.00 54.91 53.95 2crs h ALA 16 Cb 0.01 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 2crs h ALA 16 CO 0.00 0.91 -0.25 0.78 0.00 0.00 0.00 179.25 180.69 2crs h GLY 17 N 0.80 -0.37 0.00 0.00 0.00 -1.90 -3.46 103.07 98.14 2crs h GLY 17 Ca -0.26 0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.37 2crs h GLY 17 CO 0.22 -0.21 0.00 0.28 0.00 0.00 0.00 176.54 176.83 2crs n LYS 18 N -5.37 0.39 0.00 4.80 5.02 -1.22 -4.94 118.16 116.84 2crs n LYS 18 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 2crs n LYS 18 Cb 0.28 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.29 2crs n LYS 18 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2crs n ASN 19 N 0.00 0.00 -4.91 4.39 0.23 -1.17 -4.46 115.26 109.34 2crs n ASN 19 Ca 0.00 0.00 -0.29 0.00 -0.53 0.00 0.00 54.58 53.76 2crs n ASN 19 Cb 0.00 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 37.66 2crs n ASN 19 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2crs s LEU 20 N -0.84 4.27 -0.15 -4.53 1.02 -0.80 -4.12 118.68 113.53 2crs s LEU 20 Ca 0.00 0.18 0.02 0.00 0.02 0.00 0.00 54.13 54.35 2crs s LEU 20 Cb 0.00 -2.86 0.01 0.00 0.02 0.00 0.00 46.19 43.36 2crs s LEU 20 CO 0.00 0.12 -0.22 0.00 0.02 0.00 0.00 176.35 176.27 2crs s TYR 22 N 0.91 1.74 -0.10 0.00 1.13 -0.56 -0.37 117.35 120.11 2crs s TYR 22 Ca -0.05 -1.20 -0.02 0.00 -1.41 0.00 0.00 57.07 54.40 2crs s TYR 22 Cb -0.15 -1.06 0.03 0.00 -1.10 0.00 0.00 41.96 39.68 2crs s TYR 22 CO -0.04 -0.28 0.00 0.15 -2.51 0.00 0.00 175.55 172.87 2crs s LYS 23 N -3.85 0.67 -0.17 -3.49 1.02 -0.14 -1.55 119.74 112.24 2crs s LYS 23 Ca 0.33 -0.02 -0.05 0.00 0.02 0.00 0.00 55.97 56.25 2crs s LYS 23 Cb 0.06 -1.25 -0.03 0.00 -0.52 0.00 0.00 37.83 36.09 2crs s LYS 23 CO 0.15 -0.37 -0.00 1.41 -0.92 0.00 0.00 175.35 175.62 2crs s MET 24 N 1.93 3.73 0.19 1.68 1.75 -0.51 -1.57 119.30 126.50 2crs s MET 24 Ca 0.04 -0.48 0.09 0.00 -1.25 0.00 0.00 55.69 54.09 2crs s MET 24 Cb -0.13 -3.03 -0.04 0.00 2.84 0.00 0.00 34.83 34.46 2crs s MET 24 CO -0.06 0.19 -0.19 -0.59 -0.65 0.00 0.00 175.02 173.72 2crs s PHE 25 N 0.53 1.93 0.23 4.11 -0.12 -0.69 -1.69 117.98 122.27 2crs s PHE 25 Ca -0.01 -0.45 0.04 0.00 -0.05 0.00 0.00 56.93 56.45 2crs s PHE 25 Cb -0.14 -0.93 -0.03 0.00 -0.63 0.00 0.00 43.02 41.29 2crs s PHE 25 CO 0.02 0.41 0.36 -1.64 -0.05 0.00 0.00 175.22 174.32 2crs s MET 26 N -3.04 3.45 -0.02 1.99 -1.94 -0.08 -1.29 119.30 118.37 2crs s MET 26 Ca 0.20 -0.68 0.22 0.00 -1.71 0.00 0.00 55.69 53.72 2crs s MET 26 Cb -0.05 -2.89 -0.31 0.00 2.01 0.00 0.00 34.83 33.59 2crs s MET 26 CO 0.08 0.43 0.56 0.28 -0.01 0.00 0.00 175.02 176.37 2crs n VAL 27 N -1.22 0.01 -0.33 -6.03 0.31 -1.26 -2.13 118.33 107.69 2crs n VAL 27 Ca -0.08 -0.42 0.26 0.00 -0.01 0.00 0.00 64.34 64.09 2crs n VAL 27 Cb 0.56 0.15 0.50 0.00 -0.91 0.00 0.00 33.84 34.14 2crs n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2crs h ALA 28 N 2.16 1.97 -4.02 3.52 0.00 -1.95 -3.40 119.26 117.54 2crs h ALA 28 Ca 0.00 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2crs h ALA 28 Cb 0.92 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2crs h ALA 28 CO 0.00 -0.71 -0.00 0.25 0.00 0.00 0.00 179.25 178.79 2crs n THR 29 N -5.15 0.00 -1.96 0.00 -2.24 -1.26 -4.97 114.28 98.70 2crs n THR 29 Ca 0.33 -0.02 -0.41 0.00 -2.27 0.00 0.00 64.05 61.68 2crs n THR 29 Cb 1.07 -0.80 -0.02 0.00 -2.10 0.00 0.00 70.33 68.48 2crs n THR 29 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2crs n PRO 30 N -0.82 2.61 -2.84 -0.78 -0.04 -1.26 -4.63 135.00 127.23 2crs n PRO 30 Ca 0.00 -2.69 -0.03 0.00 -0.04 0.00 0.00 63.50 60.74 2crs n PRO 30 Cb 0.01 -3.35 -0.02 0.00 -0.04 0.00 0.00 33.50 30.09 2crs n PRO 30 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2crs n LYS 31 N 7.25 -2.91 -4.06 0.54 4.01 -1.25 -4.98 118.16 116.77 2crs n LYS 31 Ca 0.50 2.35 -0.28 0.00 -0.51 0.00 0.00 58.31 60.37 2crs n LYS 31 Cb 0.42 -3.21 -0.17 0.00 -0.51 0.00 0.00 35.03 31.57 2crs n LYS 31 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2crs s VAL 32 N -0.57 1.30 0.07 -0.18 0.11 -0.91 -4.94 120.40 115.29 2crs s VAL 32 Ca -0.13 -0.48 -0.30 0.00 -2.93 0.00 0.00 61.98 58.14 2crs s VAL 32 Cb 0.01 -1.25 -0.05 0.00 -1.53 0.00 0.00 36.38 33.55 2crs s VAL 32 CO 0.44 0.41 1.06 -2.16 -3.33 0.00 0.00 175.10 171.52 2crs s PRO 33 N 1.47 4.56 0.00 1.54 0.04 -1.26 -0.90 135.00 140.45 2crs s PRO 33 Ca 0.02 1.58 0.00 0.00 0.04 0.00 0.00 61.00 62.64 2crs s PRO 33 Cb -0.13 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.03 2crs s PRO 33 CO -0.08 -0.03 0.00 1.33 0.04 0.00 0.00 177.00 178.26 2crs n VAL 34 N 3.39 0.00 -3.70 -0.36 0.24 -0.68 -4.95 118.33 112.26 2crs n VAL 34 Ca 0.05 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.08 2crs n VAL 34 Cb 0.48 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.75 2crs n VAL 34 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2crs n LYS 35 N -0.16 1.80 -3.67 7.34 5.02 -0.73 -4.98 118.16 122.78 2crs n LYS 35 Ca 0.00 -4.35 -0.38 0.00 -2.02 0.00 0.00 58.31 51.56 2crs n LYS 35 Cb 0.00 -2.17 -0.12 0.00 -0.02 0.00 0.00 35.03 32.72 2crs n LYS 35 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2crs s ARG 36 N -1.56 3.46 0.00 1.97 0.52 -1.26 -1.43 118.95 120.64 2crs s ARG 36 Ca 0.30 -0.63 0.00 0.00 -0.52 0.00 0.00 55.73 54.88 2crs s ARG 36 Cb 0.02 -3.52 0.00 0.00 0.52 0.00 0.00 34.95 31.97 2crs s ARG 36 CO -0.13 -0.35 0.00 0.41 0.02 0.00 0.00 175.30 175.25 2crs n GLY 37 N 4.98 3.59 3.28 -3.53 0.00 -0.59 -4.60 105.19 108.31 2crs n GLY 37 Ca -0.14 -0.23 -0.24 0.00 0.00 0.00 0.00 46.02 45.41 2crs n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2crs s ILE 39 N -1.11 0.00 -0.54 0.00 2.07 -0.33 -4.92 121.20 116.36 2crs s ILE 39 Ca 0.07 -0.75 0.16 0.00 -1.41 0.00 0.00 60.65 58.71 2crs s ILE 39 Cb -0.10 -1.77 0.70 0.00 0.13 0.00 0.00 42.46 41.43 2crs s ILE 39 CO 0.04 0.00 1.62 0.47 -1.91 0.00 0.00 174.94 175.16 2crs n ASP 40 N -0.44 4.91 0.00 4.50 8.00 -1.26 -1.90 116.55 130.36 2crs n ASP 40 Ca -0.07 -2.75 0.00 0.00 0.71 0.00 0.00 54.79 52.68 2crs n ASP 40 Cb 0.60 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2crs n ASP 40 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 2crs n VAL 41 N 0.53 0.00 -3.17 2.53 3.14 -1.26 -5.01 118.33 115.09 2crs n VAL 41 Ca 0.25 0.00 -0.23 0.00 -2.96 0.00 0.00 64.34 61.40 2crs n VAL 41 Cb 1.00 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.73 2crs n VAL 41 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2crs n PRO 43 N 0.53 3.74 -0.76 0.00 -0.04 -1.26 -4.86 135.00 132.35 2crs n PRO 43 Ca 0.26 -2.43 0.00 0.00 -0.04 0.00 0.00 63.50 61.29 2crs n PRO 43 Cb 0.53 -2.83 0.00 0.00 -0.04 0.00 0.00 33.50 31.17 2crs n PRO 43 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2crs n LYS 44 N 3.59 0.69 -0.68 0.54 3.00 -1.26 -5.11 118.16 118.93 2crs n LYS 44 Ca 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 59.04 2crs n LYS 44 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.28 2crs n LYS 44 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2crs n SER 45 N -0.98 -4.65 0.00 3.14 3.41 -1.26 -4.88 113.62 108.40 2crs n SER 45 Ca 0.00 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 2crs n SER 45 Cb 0.00 -1.25 0.00 0.00 -0.26 0.00 0.00 64.21 62.70 2crs n SER 45 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2crs n SER 46 N -0.26 0.00 -0.08 4.04 3.41 -1.21 -4.95 113.62 114.57 2crs n SER 46 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.50 2crs n SER 46 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 2crs n SER 46 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2crs h LEU 47 N 0.00 0.40 -5.88 1.04 3.38 -2.05 -3.42 115.31 108.77 2crs h LEU 47 Ca 0.00 -0.27 -0.11 0.00 0.09 0.00 0.00 57.88 57.60 2crs h LEU 47 Cb 0.00 -0.11 -0.20 0.00 0.09 0.00 0.00 40.66 40.45 2crs h LEU 47 CO 0.00 0.56 -0.48 -0.76 0.09 0.00 0.00 178.44 177.85 2crs s LEU 48 N -9.59 -1.37 0.00 1.67 1.43 -1.26 -5.01 118.68 104.55 2crs s LEU 48 Ca -0.14 -1.02 0.00 0.00 -1.03 0.00 0.00 54.13 51.94 2crs s LEU 48 Cb 0.08 1.81 0.00 0.00 0.03 0.00 0.00 46.19 48.11 2crs s LEU 48 CO 0.74 -0.16 0.00 0.55 0.23 0.00 0.00 176.35 177.71 2crs n VAL 49 N 4.16 0.00 -3.72 -1.59 3.14 -1.26 -4.28 118.33 114.78 2crs n VAL 49 Ca 0.12 0.00 -0.17 0.00 -2.96 0.00 0.00 64.34 61.33 2crs n VAL 49 Cb 0.56 0.00 -0.17 0.00 -1.06 0.00 0.00 33.84 33.17 2crs n VAL 49 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2crs s LYS 50 N -1.45 -0.04 0.03 1.45 1.02 -0.42 -3.31 119.74 117.03 2crs s LYS 50 Ca 0.00 0.32 0.05 0.00 0.02 0.00 0.00 55.97 56.35 2crs s LYS 50 Cb 0.00 -0.35 -0.03 0.00 -0.52 0.00 0.00 37.83 36.92 2crs s LYS 50 CO 0.00 -0.25 -0.10 1.52 -0.92 0.00 0.00 175.35 175.61 2crs s TYR 51 N 1.64 2.78 -0.25 3.18 -0.85 -1.26 -1.71 117.35 120.88 2crs s TYR 51 Ca -0.02 -0.11 0.01 0.00 -0.52 0.00 0.00 57.07 56.42 2crs s TYR 51 Cb -0.12 -1.54 0.07 0.00 0.38 0.00 0.00 41.96 40.74 2crs s TYR 51 CO -0.03 0.36 -0.03 0.08 -1.52 0.00 0.00 175.55 174.40 2crs s VAL 52 N -1.03 1.49 0.33 -3.49 1.01 -0.61 -4.93 120.40 113.17 2crs s VAL 52 Ca 0.18 -1.31 0.06 0.00 0.00 0.00 0.00 61.98 60.91 2crs s VAL 52 Cb -0.11 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 2crs s VAL 52 CO 0.08 -0.20 0.48 0.00 0.00 0.00 0.00 175.10 175.46 2crs n ASN 55 N 2.45 4.11 -0.00 0.00 5.15 -1.26 -1.68 115.26 124.03 2crs n ASN 55 Ca -0.15 -3.54 0.02 0.00 -0.60 0.00 0.00 54.58 50.31 2crs n ASN 55 Cb 0.55 -0.48 -0.02 0.00 -0.53 0.00 0.00 39.78 39.30 2crs n ASN 55 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 2crs n THR 56 N -0.39 0.00 -0.21 -0.44 -1.04 -1.26 -5.08 114.28 105.85 2crs n THR 56 Ca 0.33 -0.28 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 2crs n THR 56 Cb 0.68 0.76 0.00 0.00 -1.82 0.00 0.00 70.33 69.95 2crs n THR 56 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2crs n ASP 57 N -1.30 -2.56 -0.02 8.00 2.03 -1.26 -4.71 116.55 116.73 2crs n ASP 57 Ca 0.00 0.16 -0.00 0.00 0.52 0.00 0.00 54.79 55.47 2crs n ASP 57 Cb 0.07 0.29 -0.00 0.00 -0.72 0.00 0.00 41.12 40.75 2crs n ASP 57 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2crs n ARG 58 N -0.59 -1.46 0.00 -0.67 3.00 -1.26 -4.77 116.66 110.92 2crs n ARG 58 Ca 0.00 0.38 0.10 0.00 -0.00 0.00 0.00 57.85 58.33 2crs n ARG 58 Cb 0.00 -4.48 0.02 0.00 0.00 0.00 0.00 32.46 28.00 2crs n ARG 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63