#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s6x n GLY 3 N 4.29 1.16 3.35 0.00 0.00 -1.21 -4.81 105.19 107.98 1s6x n GLY 3 Ca 0.16 -0.19 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 1s6x n GLY 3 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1s6x s LYS 4 N 4.11 0.85 0.46 1.61 2.47 -1.26 -4.57 119.74 123.41 1s6x s LYS 4 Ca 0.00 -0.05 -0.20 0.00 -1.56 0.00 0.00 55.97 54.16 1s6x s LYS 4 Cb 0.00 0.39 -0.14 0.00 -1.46 0.00 0.00 37.83 36.62 1s6x s LYS 4 CO 0.00 -0.26 0.12 0.34 0.16 0.00 0.00 175.35 175.71 1s6x n PHE 5 N 1.03 -2.02 -0.05 4.03 7.35 -1.26 -0.33 117.46 126.20 1s6x n PHE 5 Ca -0.20 0.55 0.00 0.00 -0.76 0.00 0.00 57.45 57.03 1s6x n PHE 5 Cb 0.57 -1.79 0.00 0.00 0.35 0.00 0.00 39.48 38.61 1s6x n PHE 5 CO 0.00 0.00 0.00 -1.33 -0.76 0.00 0.00 176.76 174.67 1s6x n MET 6 N 1.15 0.00 -1.96 -4.13 2.81 -1.21 -4.91 117.12 108.87 1s6x n MET 6 Ca 0.10 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.57 1s6x n MET 6 Cb 0.43 -1.77 -0.03 0.00 -0.71 0.00 0.00 33.22 31.14 1s6x n MET 6 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1s6x s TRP 7 N -2.86 2.86 0.26 2.03 0.52 0.55 -4.70 118.94 117.59 1s6x s TRP 7 Ca 0.00 0.56 -0.30 0.00 0.02 0.00 0.00 56.10 56.38 1s6x s TRP 7 Cb 0.00 -3.91 -0.11 0.00 -1.15 0.00 0.00 33.47 28.30 1s6x s TRP 7 CO 0.00 -3.44 1.58 0.21 0.02 0.00 0.00 176.95 175.32 1s6x s LYS 8 N 1.67 4.16 0.00 4.98 2.47 -1.26 -2.45 119.74 129.30 1s6x s LYS 8 Ca 0.71 2.51 0.00 0.00 -1.56 0.00 0.00 55.97 57.62 1s6x s LYS 8 Cb -0.41 -3.06 0.00 0.00 -1.46 0.00 0.00 37.83 32.90 1s6x s LYS 8 CO 0.31 -0.61 0.00 0.00 0.16 0.00 0.00 175.35 175.22 1s6x n LYS 10 N 0.00 1.32 0.00 0.00 2.85 -1.26 -5.02 118.16 116.05 1s6x n LYS 10 Ca 0.00 0.01 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 1s6x n LYS 10 Cb 0.00 -1.03 0.00 0.00 -0.65 0.00 0.00 35.03 33.35 1s6x n LYS 10 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1s6x n ASN 11 N -2.38 0.00 0.00 -5.58 5.15 -1.26 -5.00 115.26 106.19 1s6x n ASN 11 Ca -0.03 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.95 1s6x n ASN 11 Cb 0.54 0.16 0.00 0.00 -0.53 0.00 0.00 39.78 39.94 1s6x n ASN 11 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1s6x n SER 12 N -1.71 0.00 -0.28 1.20 2.88 -1.26 -3.02 113.62 111.43 1s6x n SER 12 Ca 0.00 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.57 1s6x n SER 12 Cb 0.00 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.51 1s6x n SER 12 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1s6x n ASN 13 N 0.00 1.97 0.00 -3.46 4.13 -1.26 -4.58 115.26 112.06 1s6x n ASN 13 Ca 0.00 -1.62 0.00 0.00 1.68 0.00 0.00 54.58 54.64 1s6x n ASN 13 Cb 0.00 -0.06 0.00 0.00 -1.54 0.00 0.00 39.78 38.18 1s6x n ASN 13 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1s6x n ASP 14 N 0.17 0.25 -4.79 6.41 2.03 -1.26 -4.17 116.55 115.19 1s6x n ASP 14 Ca 0.05 -0.93 -0.37 0.00 0.52 0.00 0.00 54.79 54.06 1s6x n ASP 14 Cb 0.24 0.02 -0.06 0.00 -0.72 0.00 0.00 41.12 40.60 1s6x n ASP 14 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1s6x n LYS 17 N -4.95 0.74 -1.35 0.00 4.81 -1.26 -0.95 118.16 115.21 1s6x n LYS 17 Ca 0.03 0.29 -0.13 0.00 -0.87 0.00 0.00 58.31 57.63 1s6x n LYS 17 Cb 0.55 -2.04 -0.06 0.00 0.02 0.00 0.00 35.03 33.50 1s6x n LYS 17 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1s6x n ASP 18 N -0.51 -5.26 -4.14 3.14 9.92 -1.26 -4.93 116.55 113.50 1s6x n ASP 18 Ca 0.13 0.32 -0.25 0.00 -0.53 0.00 0.00 54.79 54.47 1s6x n ASP 18 Cb 0.48 -4.13 -0.16 0.00 -0.64 0.00 0.00 41.12 36.68 1s6x n ASP 18 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1s6x s LEU 19 N -3.04 1.97 0.01 0.64 2.96 -0.12 -1.15 118.68 119.95 1s6x s LEU 19 Ca 0.00 -0.32 0.03 0.00 -0.22 0.00 0.00 54.13 53.63 1s6x s LEU 19 Cb 0.00 -0.89 -0.01 0.00 0.50 0.00 0.00 46.19 45.79 1s6x s LEU 19 CO 0.00 0.18 -0.11 0.68 -1.32 0.00 0.00 176.35 175.78 1s6x s VAL 20 N -0.18 0.85 0.57 1.68 -7.23 -0.86 -4.47 120.40 110.76 1s6x s VAL 20 Ca 0.02 -0.66 -0.19 0.00 -1.81 0.00 0.00 61.98 59.34 1s6x s VAL 20 Cb -0.09 -0.75 -0.05 0.00 0.56 0.00 0.00 36.38 36.05 1s6x s VAL 20 CO 0.01 0.10 1.15 0.00 -0.31 0.00 0.00 175.10 176.04 1s6x s SER 22 N -1.78 0.03 0.55 0.00 0.15 -0.66 -4.76 113.70 107.23 1s6x s SER 22 Ca 0.74 0.68 0.35 0.00 0.70 0.00 0.00 55.95 58.42 1s6x s SER 22 Cb -0.25 0.76 1.63 0.00 -1.71 0.00 0.00 66.02 66.45 1s6x s SER 22 CO 0.30 -0.22 2.06 0.77 1.20 0.00 0.00 173.24 177.35 1s6x h SER 23 N 7.93 0.00 0.13 5.45 4.64 -1.95 0.73 113.55 130.49 1s6x h SER 23 Ca -0.22 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 60.87 1s6x h SER 23 Cb 1.13 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.24 1s6x h SER 23 CO 0.20 0.00 -0.96 -0.09 -0.87 0.00 0.00 176.83 175.10 1s6x h ARG 24 N 0.00 0.42 0.00 4.77 2.43 -1.95 -3.24 114.38 116.82 1s6x h ARG 24 Ca 0.00 -0.63 0.00 0.00 -0.81 0.00 0.00 59.98 58.54 1s6x h ARG 24 Cb 0.33 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1s6x h ARG 24 CO 0.00 1.28 -0.42 0.91 -1.51 0.00 0.00 179.97 180.22 1s6x n TRP 25 N -4.02 0.70 -1.94 2.20 7.02 -1.01 -4.94 117.44 115.45 1s6x n TRP 25 Ca -0.14 0.20 -0.09 0.00 -1.02 0.00 0.00 57.50 56.46 1s6x n TRP 25 Cb 0.87 -0.76 -0.01 0.00 -2.42 0.00 0.00 31.31 28.99 1s6x n TRP 25 CO 0.00 0.00 0.00 0.36 -2.02 0.00 0.00 177.69 176.03 1s6x n LYS 26 N -2.18 -0.67 0.00 -0.99 2.85 0.25 -4.97 118.16 112.46 1s6x n LYS 26 Ca 0.04 0.51 0.00 0.00 -1.05 0.00 0.00 58.31 57.81 1s6x n LYS 26 Cb 0.44 -4.47 0.00 0.00 -0.65 0.00 0.00 35.03 30.35 1s6x n LYS 26 CO 0.00 0.00 0.00 -2.67 -0.05 0.00 0.00 177.40 174.68 1s6x n TRP 27 N -3.70 0.00 -1.81 5.58 2.14 -0.99 -4.68 117.44 113.97 1s6x n TRP 27 Ca -0.10 0.00 -0.41 0.00 2.07 0.00 0.00 57.50 59.06 1s6x n TRP 27 Cb 0.51 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.98 1s6x n TRP 27 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 1s6x s VAL 29 N 8.58 4.96 0.03 0.00 -7.23 0.26 -3.36 120.40 123.63 1s6x s VAL 29 Ca 0.87 0.80 -0.32 0.00 -1.81 0.00 0.00 61.98 61.52 1s6x s VAL 29 Cb -0.23 -3.73 -0.11 0.00 0.56 0.00 0.00 36.38 32.87 1s6x s VAL 29 CO 0.31 0.43 1.86 0.00 -0.31 0.00 0.00 175.10 177.39 1s6x n LEU 30 N 1.35 3.75 -2.00 1.32 -0.00 -1.26 -2.02 117.00 118.14 1s6x n LEU 30 Ca -0.10 0.97 -0.15 0.00 -0.00 0.00 0.00 56.01 56.73 1s6x n LEU 30 Cb 0.52 -1.46 -0.05 0.00 -0.00 0.00 0.00 43.42 42.42 1s6x n LEU 30 CO 0.40 0.05 1.38 0.00 -0.00 0.00 0.00 177.39 179.22 1s6x n ALA 31 N 6.29 5.58 -3.45 1.47 0.00 -0.30 -4.81 120.51 125.29 1s6x n ALA 31 Ca 0.20 -1.72 -0.37 0.00 0.00 0.00 0.00 53.44 51.55 1s6x n ALA 31 Cb 0.34 -1.76 -0.12 0.00 0.00 0.00 0.00 19.45 17.91 1s6x n ALA 31 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1s6x s SER 32 N 1.11 5.20 -1.16 0.00 0.15 -1.26 -4.99 113.70 112.76 1s6x s SER 32 Ca 0.42 -1.36 -0.21 0.00 0.70 0.00 0.00 55.95 55.50 1s6x s SER 32 Cb 0.25 -1.82 0.02 0.00 -1.71 0.00 0.00 66.02 62.76 1s6x s SER 32 CO -0.06 -0.36 1.72 -2.16 1.20 0.00 0.00 173.24 173.58 1s6x s PRO 33 N 1.32 3.44 0.00 5.44 0.04 -1.26 -5.27 135.00 138.71 1s6x s PRO 33 Ca -0.01 -1.41 0.25 0.00 0.04 0.00 0.00 61.00 59.88 1s6x s PRO 33 Cb -0.20 -5.38 0.50 0.00 0.04 0.00 0.00 34.50 29.46 1s6x s PRO 33 CO 0.00 -2.69 1.44 0.34 0.04 0.00 0.00 177.00 176.13