#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 6.54 4.63 3.38 0.00 0.00 -1.21 -4.85 105.19 113.67 1s6x n GLY 3 Ca 0.42 -1.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.42 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 3.56 1.41 0.80 1.61 2.36 -1.26 -4.42 119.74 123.79 1s6x s LYS 4 Ca 0.00 -1.32 -0.17 0.00 -2.55 0.00 0.00 55.97 51.93 1s6x s LYS 4 Cb 0.00 -1.88 -0.12 0.00 -1.05 0.00 0.00 37.83 34.78 1s6x s LYS 4 CO 0.00 0.45 -0.33 0.34 1.55 0.00 0.00 175.35 177.36 1s6x n PHE 5 N 0.98 -3.65 -0.38 4.03 -0.00 -1.26 -1.33 117.46 115.86 1s6x n PHE 5 Ca -0.18 0.19 0.00 0.00 -0.00 0.00 0.00 57.45 57.46 1s6x n PHE 5 Cb 0.53 -1.60 0.00 0.00 -0.00 0.00 0.00 39.48 38.41 1s6x n PHE 5 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.76 176.64 1s6x n MET 6 N 1.48 0.00 -2.22 -4.13 1.56 -1.03 -4.91 117.12 107.87 1s6x n MET 6 Ca 0.03 0.00 -0.42 0.00 -0.27 0.00 0.00 57.70 57.05 1s6x n MET 6 Cb 0.52 -2.42 -0.03 0.00 2.15 0.00 0.00 33.22 33.44 1s6x n MET 6 CO 0.00 0.00 0.00 -1.58 -0.73 0.00 0.00 175.97 173.66 1s6x s TRP 7 N -2.89 3.27 0.44 1.12 0.52 -0.44 -4.69 118.94 116.26 1s6x s TRP 7 Ca 0.00 1.07 -0.23 0.00 0.02 0.00 0.00 56.10 56.96 1s6x s TRP 7 Cb 0.00 -3.63 -0.11 0.00 -1.15 0.00 0.00 33.47 28.59 1s6x s TRP 7 CO 0.00 -2.10 0.80 1.63 0.02 0.00 0.00 176.95 177.30 1s6x n LYS 8 N 3.56 0.96 -4.26 4.98 5.02 -1.26 -2.41 118.16 124.75 1s6x n LYS 8 Ca 0.10 0.35 -0.17 0.00 -2.02 0.00 0.00 58.31 56.56 1s6x n LYS 8 Cb 0.43 -1.81 -0.09 0.00 -0.02 0.00 0.00 35.03 33.54 1s6x n LYS 8 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s6x n LYS 10 N -0.51 3.87 0.00 0.00 2.85 -1.26 -4.98 118.16 118.13 1s6x n LYS 10 Ca 0.05 -0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.31 1s6x n LYS 10 Cb 0.64 -1.02 0.00 0.00 -0.65 0.00 0.00 35.03 34.00 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 -2.03 0.00 0.00 -5.58 2.85 -1.26 -5.03 115.26 104.21 1s6x n ASN 11 Ca -0.01 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.46 1s6x n ASN 11 Cb 0.52 0.13 0.00 0.00 1.24 0.00 0.00 39.78 41.68 1s6x n ASN 11 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1s6x n SER 12 N -1.63 0.00 0.34 1.20 2.88 -1.26 -2.77 113.62 112.38 1s6x n SER 12 Ca 0.00 0.00 0.20 0.00 -1.33 0.00 0.00 58.87 57.74 1s6x n SER 12 Cb 0.00 0.00 1.05 0.00 -0.75 0.00 0.00 64.21 64.51 1s6x n SER 12 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 1s6x h ASN 13 N 0.00 0.00 0.75 -3.46 -0.73 -1.96 0.24 115.58 110.42 1s6x h ASN 13 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1s6x h ASN 13 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.59 1s6x h ASN 13 CO 0.00 0.00 -0.80 -0.67 -0.37 0.00 0.00 177.43 175.59 1s6x n ASP 14 N -2.99 0.69 -4.81 1.15 -0.08 -1.26 -3.91 116.55 105.34 1s6x n ASP 14 Ca -0.03 0.05 -0.36 0.00 -1.51 0.00 0.00 54.79 52.95 1s6x n ASP 14 Cb 0.20 0.40 -0.06 0.00 2.34 0.00 0.00 41.12 43.99 1s6x n ASP 14 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1s6x n LYS 17 N -3.81 0.16 -2.32 0.00 4.81 -1.26 -0.60 118.16 115.14 1s6x n LYS 17 Ca 0.07 0.07 -0.17 0.00 -0.87 0.00 0.00 58.31 57.40 1s6x n LYS 17 Cb 0.56 -1.33 -0.01 0.00 0.02 0.00 0.00 35.03 34.27 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 1.61 -4.96 -3.84 3.14 8.00 -1.26 -4.86 116.55 114.37 1s6x n ASP 18 Ca 0.08 0.11 -0.12 0.00 0.71 0.00 0.00 54.79 55.57 1s6x n ASP 18 Cb 0.49 -4.19 -0.12 0.00 -0.02 0.00 0.00 41.12 37.29 1s6x n ASP 18 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1s6x s LEU 19 N -5.68 1.52 -0.02 0.64 2.96 0.23 0.26 118.68 118.60 1s6x s LEU 19 Ca 0.00 0.11 -0.07 0.00 -0.22 0.00 0.00 54.13 53.95 1s6x s LEU 19 Cb 0.00 0.52 0.01 0.00 0.50 0.00 0.00 46.19 47.22 1s6x s LEU 19 CO 0.00 -0.15 0.16 0.68 -1.32 0.00 0.00 176.35 175.72 1s6x s VAL 20 N -0.40 0.06 0.53 1.68 -7.23 -0.93 -4.51 120.40 109.60 1s6x s VAL 20 Ca -0.05 -0.50 -0.22 0.00 -1.81 0.00 0.00 61.98 59.41 1s6x s VAL 20 Cb -0.03 -0.40 -0.05 0.00 0.56 0.00 0.00 36.38 36.46 1s6x s VAL 20 CO 0.01 -0.27 1.28 0.00 -0.31 0.00 0.00 175.10 175.80 1s6x s SER 22 N -1.18 -0.11 0.46 0.00 0.15 -0.54 -4.83 113.70 107.66 1s6x s SER 22 Ca 0.70 0.30 0.25 0.00 0.70 0.00 0.00 55.95 57.90 1s6x s SER 22 Cb -0.35 0.19 1.08 0.00 -1.71 0.00 0.00 66.02 65.23 1s6x s SER 22 CO 0.42 -0.15 1.90 -1.28 1.20 0.00 0.00 173.24 175.33 1s6x h SER 23 N 7.20 0.00 0.74 5.45 0.87 -1.95 2.40 113.55 128.26 1s6x h SER 23 Ca -0.42 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 59.91 1s6x h SER 23 Cb 1.14 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.09 1s6x h SER 23 CO 0.42 0.20 -1.04 -0.09 -0.53 0.00 0.00 176.83 175.80 1s6x h ARG 24 N 0.00 0.16 -0.25 2.24 1.12 -1.95 -3.19 114.38 112.52 1s6x h ARG 24 Ca -0.00 -0.23 0.00 0.00 -1.11 0.00 0.00 59.98 58.64 1s6x h ARG 24 Cb 0.62 0.08 0.00 0.00 -0.01 0.00 0.00 29.97 30.66 1s6x h ARG 24 CO 0.03 1.06 0.00 0.91 -3.11 0.00 0.00 179.97 178.85 1s6x n TRP 25 N -3.52 0.31 -3.63 2.20 7.02 -0.93 -4.95 117.44 113.95 1s6x n TRP 25 Ca -0.04 -0.21 -0.27 0.00 -1.02 0.00 0.00 57.50 55.96 1s6x n TRP 25 Cb 0.92 -0.01 -0.05 0.00 -2.42 0.00 0.00 31.31 29.76 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 1.06 -1.35 -3.99 -0.99 -0.00 0.80 -4.75 118.16 108.94 1s6x n LYS 26 Ca 0.14 0.09 0.04 0.00 -0.00 0.00 0.00 58.31 58.57 1s6x n LYS 26 Cb 0.48 -4.13 0.01 0.00 -0.00 0.00 0.00 35.03 31.39 1s6x n LYS 26 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.40 179.07 1s6x s TRP 27 N -2.63 0.01 -0.05 5.58 -2.14 -1.00 -4.57 118.94 114.14 1s6x s TRP 27 Ca 0.52 -0.06 -0.30 0.00 2.66 0.00 0.00 56.10 58.93 1s6x s TRP 27 Cb -0.30 0.52 -0.05 0.00 -3.10 0.00 0.00 33.47 30.54 1s6x s TRP 27 CO 0.64 -0.11 1.60 0.00 -2.66 0.00 0.00 176.95 176.42 1s6x s VAL 29 N 3.77 3.64 -0.22 0.00 -7.23 0.50 -2.46 120.40 118.40 1s6x s VAL 29 Ca 0.71 -1.40 -0.28 0.00 -1.81 0.00 0.00 61.98 59.20 1s6x s VAL 29 Cb -0.33 -3.20 -0.04 0.00 0.56 0.00 0.00 36.38 33.37 1s6x s VAL 29 CO 0.28 -0.20 2.07 -0.76 -0.31 0.00 0.00 175.10 176.18 1s6x s LEU 30 N -3.96 3.56 -0.74 1.32 1.43 -1.26 -2.19 118.68 116.85 1s6x s LEU 30 Ca 0.39 1.81 -0.00 0.00 -1.03 0.00 0.00 54.13 55.30 1s6x s LEU 30 Cb -0.06 -3.52 0.37 0.00 0.03 0.00 0.00 46.19 43.02 1s6x s LEU 30 CO 0.26 -1.79 1.82 0.00 0.23 0.00 0.00 176.35 176.87 1s6x n ALA 31 N 10.86 6.18 -2.74 4.21 0.00 0.74 -4.89 120.51 134.86 1s6x n ALA 31 Ca 0.27 -4.11 -0.33 0.00 0.00 0.00 0.00 53.44 49.27 1s6x n ALA 31 Cb 0.45 -1.64 -0.13 0.00 0.00 0.00 0.00 19.45 18.13 1s6x n ALA 31 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1s6x s SER 32 N -1.71 4.08 -0.34 0.00 0.01 -1.24 -4.44 113.70 110.07 1s6x s SER 32 Ca 0.52 -0.24 -0.29 0.00 1.31 0.00 0.00 55.95 57.26 1s6x s SER 32 Cb 0.44 -1.21 -0.00 0.00 0.21 0.00 0.00 66.02 65.45 1s6x s SER 32 CO -0.33 0.27 1.49 -2.16 0.41 0.00 0.00 173.24 172.92 1s6x s PRO 33 N -0.26 3.66 0.00 12.44 0.04 -1.26 -5.16 135.00 144.45 1s6x s PRO 33 Ca 0.02 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.29 1s6x s PRO 33 Cb -0.13 -4.02 0.00 0.00 0.04 0.00 0.00 34.50 30.39 1s6x s PRO 33 CO 0.03 -1.46 0.30 1.97 0.04 0.00 0.00 177.00 177.88