#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ncr s ALA 2 N 0.00 0.53 -1.13 4.61 0.00 -1.26 -0.79 121.76 123.72 1ncr s ALA 2 Ca 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 51.96 51.91 1ncr s ALA 2 Cb 0.00 -0.36 0.27 0.00 0.00 0.00 0.00 23.12 23.04 1ncr s ALA 2 CO 0.00 -0.01 1.49 0.94 0.00 0.00 0.00 175.76 178.18 1ncr n GLN 3 N 3.98 4.12 -1.84 0.00 0.00 -0.39 -4.91 117.38 118.33 1ncr n GLN 3 Ca -0.25 -4.32 -0.42 0.00 -0.00 0.00 0.00 57.00 52.01 1ncr n GLN 3 Cb 0.51 -2.62 -0.03 0.00 0.00 0.00 0.00 30.24 28.10 1ncr n GLN 3 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1ncr s VAL 4 N -1.74 3.22 0.54 1.69 1.01 -1.25 -3.66 120.40 120.21 1ncr s VAL 4 Ca 0.33 0.36 0.06 0.00 0.00 0.00 0.00 61.98 62.74 1ncr s VAL 4 Cb 0.03 -3.23 0.06 0.00 0.00 0.00 0.00 36.38 33.24 1ncr s VAL 4 CO 0.05 -0.03 0.54 -1.20 0.00 0.00 0.00 175.10 174.46 1ncr n SER 5 N 7.01 2.43 -3.54 3.32 7.64 0.56 -4.92 113.62 126.12 1ncr n SER 5 Ca 0.18 -2.68 -0.17 0.00 1.01 0.00 0.00 58.87 57.21 1ncr n SER 5 Cb 0.41 -0.18 -0.06 0.00 -1.01 0.00 0.00 64.21 63.37 1ncr n SER 5 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1ncr s ARG 6 N -4.30 1.02 0.00 1.43 3.52 -1.25 -3.35 118.95 116.02 1ncr s ARG 6 Ca 0.41 0.30 0.00 0.00 -0.13 0.00 0.00 55.73 56.31 1ncr s ARG 6 Cb -0.03 0.48 0.00 0.00 -1.56 0.00 0.00 34.95 33.84 1ncr s ARG 6 CO 0.26 -0.30 0.00 0.94 -0.81 0.00 0.00 175.30 175.38 1ncr n GLN 7 N 1.07 0.00 -4.32 5.12 7.27 -1.26 -4.86 117.38 120.40 1ncr n GLN 7 Ca -0.19 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 56.54 1ncr n GLN 7 Cb 0.57 0.00 -0.12 0.00 2.41 0.00 0.00 30.24 33.09 1ncr n GLN 7 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 1ncr s SER 23 N -0.32 4.72 -0.62 1.69 0.15 -1.26 -4.95 113.70 113.12 1ncr s SER 23 Ca 0.00 -0.17 -0.04 0.00 0.70 0.00 0.00 55.95 56.44 1ncr s SER 23 Cb 0.00 -1.78 0.16 0.00 -1.71 0.00 0.00 66.02 62.69 1ncr s SER 23 CO 0.00 0.13 0.44 -0.22 1.20 0.00 0.00 173.24 174.80 1ncr s LEU 24 N 0.57 5.33 -0.47 3.45 2.96 -1.26 -5.05 118.68 124.22 1ncr s LEU 24 Ca -0.03 -2.78 -0.23 0.00 -0.22 0.00 0.00 54.13 50.88 1ncr s LEU 24 Cb -0.14 -1.88 0.03 0.00 0.50 0.00 0.00 46.19 44.70 1ncr s LEU 24 CO 0.03 -0.40 0.78 0.20 -1.32 0.00 0.00 176.35 175.64 1ncr s ASN 25 N 0.88 6.38 0.24 3.68 0.01 -1.26 -3.96 114.94 120.90 1ncr s ASN 25 Ca 0.16 -0.23 -0.30 0.00 -0.71 0.00 0.00 52.86 51.78 1ncr s ASN 25 Cb -0.20 -2.38 -0.09 0.00 0.41 0.00 0.00 41.25 38.99 1ncr s ASN 25 CO -0.04 -0.94 0.95 -0.47 -1.51 0.00 0.00 177.10 175.09 1ncr s TYR 26 N 3.27 3.96 -0.54 2.20 5.04 -1.21 -4.81 117.35 125.26 1ncr s TYR 26 Ca 0.28 1.91 0.04 0.00 -2.44 0.00 0.00 57.07 56.85 1ncr s TYR 26 Cb -0.13 -3.00 0.16 0.00 0.35 0.00 0.00 41.96 39.34 1ncr s TYR 26 CO 0.21 0.40 0.37 -0.06 -1.34 0.00 0.00 175.55 175.12 1ncr s PHE 27 N -1.16 2.49 -0.85 4.97 0.08 -1.26 -0.32 117.98 121.92 1ncr s PHE 27 Ca 0.41 -2.82 -0.25 0.00 0.12 0.00 0.00 56.93 54.40 1ncr s PHE 27 Cb -0.26 -2.05 0.05 0.00 -0.57 0.00 0.00 43.02 40.19 1ncr s PHE 27 CO 0.32 -0.70 1.31 1.21 -0.10 0.00 0.00 175.22 177.27 1ncr s ASN 28 N -0.48 6.32 -0.14 1.36 3.04 -1.24 -4.86 114.94 118.94 1ncr s ASN 28 Ca 0.24 -0.97 -0.10 0.00 0.04 0.00 0.00 52.86 52.07 1ncr s ASN 28 Cb -0.10 -2.54 -0.05 0.00 -1.54 0.00 0.00 41.25 37.02 1ncr s ASN 28 CO -0.11 -1.64 0.19 -0.63 -3.04 0.00 0.00 177.10 171.88 1ncr s ILE 29 N 5.13 5.39 -0.36 -5.21 1.01 -1.26 -1.26 121.20 124.64 1ncr s ILE 29 Ca 0.38 0.33 -0.05 0.00 0.00 0.00 0.00 60.65 61.32 1ncr s ILE 29 Cb -0.05 -3.50 0.07 0.00 0.01 0.00 0.00 42.46 38.99 1ncr s ILE 29 CO 0.04 0.51 0.14 0.21 0.00 0.00 0.00 174.94 175.84 1ncr s ASN 30 N -0.30 5.26 0.36 3.58 2.47 0.03 -4.98 114.94 121.36 1ncr s ASN 30 Ca 0.14 -1.49 0.16 0.00 0.42 0.00 0.00 52.86 52.09 1ncr s ASN 30 Cb -0.12 -1.84 0.67 0.00 -1.45 0.00 0.00 41.25 38.51 1ncr s ASN 30 CO 0.03 -0.41 1.75 1.88 -3.72 0.00 0.00 177.10 176.63 1ncr h TYR 31 N 8.15 0.00 -2.19 0.43 0.05 -1.96 -3.42 116.97 118.03 1ncr h TYR 31 Ca -0.20 0.00 -0.58 0.00 0.05 0.00 0.00 58.73 58.01 1ncr h TYR 31 Cb 1.07 0.00 -0.11 0.00 1.01 0.00 0.00 36.73 38.70 1ncr h TYR 31 CO 0.59 0.41 -0.68 -0.06 -1.05 0.00 0.00 178.16 177.37 1ncr s PHE 32 N -3.75 2.56 -0.50 4.88 0.08 -1.26 -5.04 117.98 114.95 1ncr s PHE 32 Ca -0.01 -0.27 0.04 0.00 0.12 0.00 0.00 56.93 56.81 1ncr s PHE 32 Cb 0.12 -1.14 0.30 0.00 -0.57 0.00 0.00 43.02 41.73 1ncr s PHE 32 CO 0.70 0.65 1.13 1.63 -0.10 0.00 0.00 175.22 179.23 1ncr n LYS 33 N -0.81 2.13 -4.87 0.44 5.02 -1.26 -4.83 118.16 113.97 1ncr n LYS 33 Ca -0.06 -1.21 -0.26 0.00 -2.02 0.00 0.00 58.31 54.76 1ncr n LYS 33 Cb 0.59 -1.67 -0.16 0.00 -0.02 0.00 0.00 35.03 33.78 1ncr n LYS 33 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ncr s ASP 34 N -0.15 2.18 0.39 4.39 1.01 -1.26 -5.02 116.67 118.21 1ncr s ASP 34 Ca 0.22 -0.34 0.08 0.00 0.71 0.00 0.00 52.55 53.21 1ncr s ASP 34 Cb 0.17 -0.40 0.79 0.00 1.01 0.00 0.00 42.92 44.49 1ncr s ASP 34 CO 0.05 0.20 1.96 0.00 0.21 0.00 0.00 175.17 177.59 1ncr h ALA 35 N 5.93 1.56 -0.19 5.23 0.00 -1.99 -2.18 119.26 127.62 1ncr h ALA 35 Ca -0.35 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1ncr h ALA 35 Cb 1.16 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1ncr h ALA 35 CO 0.48 0.33 0.07 0.00 0.00 0.00 0.00 179.25 180.13 1ncr h ALA 36 N 1.66 1.77 0.00 0.00 0.00 -1.98 -2.84 119.26 117.87 1ncr h ALA 36 Ca 0.08 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1ncr h ALA 36 Cb 0.22 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1ncr h ALA 36 CO 0.00 0.19 -0.22 0.77 0.00 0.00 0.00 179.25 179.99 1ncr h SER 37 N 0.26 0.00 -4.23 0.00 0.02 -1.77 -3.45 113.55 104.38 1ncr h SER 37 Ca 0.07 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.51 1ncr h SER 37 Cb 0.07 0.00 0.14 0.00 0.14 0.00 0.00 62.40 62.75 1ncr h SER 37 CO -0.01 0.22 0.29 -0.94 -1.14 0.00 0.00 176.83 175.25 1ncr s SER 38 N -6.74 4.05 1.02 3.07 1.04 -1.08 -4.99 113.70 110.07 1ncr s SER 38 Ca -0.03 1.77 -0.02 0.00 0.48 0.00 0.00 55.95 58.14 1ncr s SER 38 Cb 0.15 -2.43 0.03 0.00 0.10 0.00 0.00 66.02 63.86 1ncr s SER 38 CO 0.67 -2.32 0.11 0.61 0.98 0.00 0.00 173.24 173.29 1ncr n GLY 39 N -1.03 -2.48 3.54 7.32 0.00 -1.26 -4.96 105.19 106.32 1ncr n GLY 39 Ca 0.09 -1.45 -0.40 0.00 0.00 0.00 0.00 46.02 44.25 1ncr n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ncr n ALA 40 N -3.18 -0.50 -1.60 4.61 0.00 -1.26 -4.97 120.51 113.61 1ncr n ALA 40 Ca -0.02 0.12 -0.29 0.00 0.00 0.00 0.00 53.44 53.25 1ncr n ALA 40 Cb 0.06 -1.96 0.11 0.00 0.00 0.00 0.00 19.45 17.65 1ncr n ALA 40 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1ncr s SER 41 N -0.97 4.16 0.62 0.00 0.01 -1.26 -5.07 113.70 111.19 1ncr s SER 41 Ca 0.67 1.11 -0.09 0.00 1.31 0.00 0.00 55.95 58.95 1ncr s SER 41 Cb -0.52 -1.76 -0.01 0.00 0.21 0.00 0.00 66.02 63.94 1ncr s SER 41 CO 0.55 -2.16 0.98 -0.13 0.41 0.00 0.00 173.24 172.89 1ncr s ARG 42 N -5.26 3.14 0.31 12.44 0.52 -1.26 -5.06 118.95 123.78 1ncr s ARG 42 Ca 0.62 0.35 -0.04 0.00 -0.52 0.00 0.00 55.73 56.14 1ncr s ARG 42 Cb -0.14 -2.16 -0.05 0.00 0.52 0.00 0.00 34.95 33.12 1ncr s ARG 42 CO 0.53 -0.72 0.56 -0.51 0.02 0.00 0.00 175.30 175.19 1ncr s LEU 43 N -5.12 4.02 0.00 2.53 1.43 -1.26 -5.32 118.68 114.96 1ncr s LEU 43 Ca 0.55 0.67 0.00 0.00 -1.03 0.00 0.00 54.13 54.31 1ncr s LEU 43 Cb -0.11 -3.50 0.00 0.00 0.03 0.00 0.00 46.19 42.61 1ncr s LEU 43 CO 0.49 -0.24 0.00 -0.90 0.23 0.00 0.00 176.35 175.94