#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uub n PHE 2 N 0.00 0.00 -0.00 2.11 3.01 -1.26 -4.54 117.46 116.77 1uub n PHE 2 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.46 1uub n PHE 2 Cb 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1uub n PHE 2 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1uub n LEU 4 N -1.91 0.00 -4.36 0.00 -0.00 -0.97 -1.68 117.00 108.08 1uub n LEU 4 Ca -0.01 0.00 -0.33 0.00 -0.00 0.00 0.00 56.01 55.67 1uub n LEU 4 Cb 0.41 0.43 0.11 0.00 -0.00 0.00 0.00 43.42 44.37 1uub n LEU 4 CO 0.01 -0.46 -0.25 -0.62 -0.00 0.00 0.00 177.39 176.07 1uub n GLU 5 N -2.42 -0.29 -1.50 1.47 1.02 -1.26 -4.45 120.64 113.21 1uub n GLU 5 Ca 0.00 -0.05 -0.43 0.00 -0.02 0.00 0.00 57.16 56.67 1uub n GLU 5 Cb 0.00 -1.75 -0.08 0.00 -0.02 0.00 0.00 31.44 29.59 1uub n GLU 5 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 1uub n PRO 6 N -1.22 0.78 -1.57 3.49 -0.02 -1.26 0.07 135.00 135.27 1uub n PRO 6 Ca 0.06 0.11 -0.39 0.00 -2.02 0.00 0.00 63.50 61.25 1uub n PRO 6 Cb 0.54 -2.56 0.04 0.00 -0.02 0.00 0.00 33.50 31.50 1uub n PRO 6 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1uub n PRO 7 N 8.58 0.90 -2.60 0.52 -0.02 -1.26 -4.43 135.00 136.68 1uub n PRO 7 Ca 0.46 0.34 -0.43 0.00 -2.02 0.00 0.00 63.50 61.85 1uub n PRO 7 Cb 0.29 -1.99 -0.02 0.00 -0.02 0.00 0.00 33.50 31.76 1uub n PRO 7 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1uub s TYR 8 N -1.51 3.23 0.00 6.00 5.04 -1.26 -4.82 117.35 124.02 1uub s TYR 8 Ca 0.70 1.36 0.00 0.00 -2.44 0.00 0.00 57.07 56.69 1uub s TYR 8 Cb -0.46 -3.33 0.00 0.00 0.35 0.00 0.00 41.96 38.52 1uub s TYR 8 CO 0.52 -0.78 0.28 0.25 -1.34 0.00 0.00 175.55 174.47 1uub n THR 9 N 5.26 0.00 0.00 4.34 -2.24 -1.26 -4.58 114.28 115.80 1uub n THR 9 Ca 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1uub n THR 9 Cb 0.46 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 1uub n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1uub n GLY 10 N 0.00 0.12 0.37 3.38 0.00 -1.26 -4.54 105.19 103.25 1uub n GLY 10 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1uub n GLY 10 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1uub h PRO 11 N 0.00 0.84 -4.32 1.61 0.11 -2.02 -3.39 132.00 124.83 1uub h PRO 11 Ca 0.00 -0.05 -0.59 0.00 0.11 0.00 0.00 66.00 65.47 1uub h PRO 11 Cb 0.00 -0.19 -0.38 0.00 0.11 0.00 0.00 31.00 30.54 1uub h PRO 11 CO 0.00 0.55 -0.80 0.00 -0.21 0.00 0.00 178.00 177.55 1uub s ARG 13 N 1.51 0.31 0.00 0.00 6.06 -1.26 -2.18 118.95 123.39 1uub s ARG 13 Ca -0.02 0.93 0.00 0.00 -2.50 0.00 0.00 55.73 54.14 1uub s ARG 13 Cb -0.16 0.19 0.00 0.00 0.06 0.00 0.00 34.95 35.04 1uub s ARG 13 CO -0.08 -0.23 0.00 0.00 -2.50 0.00 0.00 175.30 172.49 1uub n ALA 14 N 5.10 2.40 -1.88 6.12 0.00 -1.25 -4.71 120.51 126.29 1uub n ALA 14 Ca -0.12 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.27 1uub n ALA 14 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.91 1uub n ALA 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1uub n ALA 15 N -1.59 2.51 -3.79 0.00 0.00 -1.26 -5.00 120.51 111.38 1uub n ALA 15 Ca 0.00 -0.49 -0.34 0.00 0.00 0.00 0.00 53.44 52.62 1uub n ALA 15 Cb 0.00 -0.28 -0.15 0.00 0.00 0.00 0.00 19.45 19.01 1uub n ALA 15 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1uub s ILE 16 N 0.00 2.60 0.03 0.00 1.09 -0.75 -4.99 121.20 119.18 1uub s ILE 16 Ca 0.00 -0.76 0.00 0.00 -1.10 0.00 0.00 60.65 58.79 1uub s ILE 16 Cb 0.00 -2.13 0.00 0.00 -1.06 0.00 0.00 42.46 39.27 1uub s ILE 16 CO 0.00 0.50 0.00 -0.38 -0.10 0.00 0.00 174.94 174.96 1uub n ILE 17 N 4.57 0.18 0.00 2.92 2.08 -1.26 0.03 119.36 127.87 1uub n ILE 17 Ca -0.20 0.06 0.00 0.00 0.56 0.00 0.00 62.75 63.17 1uub n ILE 17 Cb 0.51 -1.31 0.00 0.00 -0.75 0.00 0.00 39.64 38.09 1uub n ILE 17 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1uub n ARG 18 N -3.01 0.00 -3.82 0.38 3.00 -1.26 0.19 116.66 112.14 1uub n ARG 18 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.85 57.50 1uub n ARG 18 Cb 0.33 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.73 1uub n ARG 18 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 1uub s TYR 19 N 0.00 3.57 0.45 -1.55 2.02 0.27 -2.44 117.35 119.68 1uub s TYR 19 Ca 0.00 0.50 0.05 0.00 -0.37 0.00 0.00 57.07 57.25 1uub s TYR 19 Cb 0.00 -1.93 -0.04 0.00 -0.40 0.00 0.00 41.96 39.58 1uub s TYR 19 CO 0.00 0.64 0.09 -0.59 -1.57 0.00 0.00 175.55 174.12 1uub s PHE 20 N -1.27 2.26 -0.37 2.71 -0.12 -0.23 -2.25 117.98 118.71 1uub s PHE 20 Ca 0.26 -0.75 -0.11 0.00 -0.05 0.00 0.00 56.93 56.28 1uub s PHE 20 Cb -0.13 -1.79 0.03 0.00 -0.63 0.00 0.00 43.02 40.50 1uub s PHE 20 CO 0.15 0.23 0.20 -0.47 -0.05 0.00 0.00 175.22 175.27 1uub s TYR 21 N -2.74 3.24 -0.89 3.49 5.04 -1.23 0.91 117.35 125.17 1uub s TYR 21 Ca 0.28 -0.96 0.00 0.00 -2.44 0.00 0.00 57.07 53.95 1uub s TYR 21 Cb 0.05 -2.42 0.31 0.00 0.35 0.00 0.00 41.96 40.25 1uub s TYR 21 CO 0.15 -0.64 1.39 -1.71 -1.34 0.00 0.00 175.55 173.40 1uub n ASN 22 N 4.98 5.98 -0.98 4.32 5.15 0.13 -2.29 115.26 132.55 1uub n ASN 22 Ca -0.12 -3.58 0.00 0.00 -0.60 0.00 0.00 54.58 50.28 1uub n ASN 22 Cb 0.46 -0.99 0.00 0.00 -0.53 0.00 0.00 39.78 38.72 1uub n ASN 22 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1uub n ALA 23 N 0.40 1.08 0.00 5.20 0.00 -0.67 -0.28 120.51 126.24 1uub n ALA 23 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1uub n ALA 23 Cb 0.33 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.01 1uub n ALA 23 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1uub n LYS 24 N 0.78 0.00 0.00 0.00 4.01 -1.26 -4.80 118.16 116.88 1uub n LYS 24 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1uub n LYS 24 Cb 0.00 -0.77 0.00 0.00 -0.51 0.00 0.00 35.03 33.75 1uub n LYS 24 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1uub n ALA 25 N -2.65 0.00 -0.30 7.82 0.00 -0.81 -4.84 120.51 119.73 1uub n ALA 25 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1uub n ALA 25 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 1uub n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uub n GLY 26 N 1.68 -0.74 3.81 0.00 0.00 -1.23 -5.01 105.19 103.71 1uub n GLY 26 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1uub n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uub n LEU 27 N -0.00 0.00 -3.95 0.99 4.32 0.62 -4.93 117.00 114.05 1uub n LEU 27 Ca 0.00 0.00 -0.26 0.00 -0.02 0.00 0.00 56.01 55.73 1uub n LEU 27 Cb 0.08 -0.09 -0.17 0.00 -1.62 0.00 0.00 43.42 41.62 1uub n LEU 27 CO 0.00 0.00 -0.45 0.00 -1.22 0.00 0.00 177.39 175.72 1uub n GLN 29 N 4.45 1.28 -3.77 0.00 0.00 0.26 -4.66 117.38 114.93 1uub n GLN 29 Ca -0.17 0.00 -0.13 0.00 -0.00 0.00 0.00 57.00 56.70 1uub n GLN 29 Cb 0.51 0.00 -0.09 0.00 0.00 0.00 0.00 30.24 30.66 1uub n GLN 29 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 1uub s THR 30 N 2.02 0.06 0.00 1.69 -4.23 -1.26 -1.07 115.64 112.85 1uub s THR 30 Ca 0.00 -0.51 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 1uub s THR 30 Cb 0.00 -0.61 0.00 0.00 1.34 0.00 0.00 72.50 73.23 1uub s THR 30 CO 0.00 -0.28 0.00 2.22 -0.54 0.00 0.00 174.62 176.02 1uub n PHE 31 N 1.26 0.00 0.00 3.99 -1.74 -0.12 -4.66 117.46 116.19 1uub n PHE 31 Ca -0.22 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.67 1uub n PHE 31 Cb 0.56 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.56 1uub n PHE 31 CO 0.00 0.00 0.00 0.28 -0.56 0.00 0.00 176.76 176.48 1uub n VAL 32 N -0.23 0.00 -3.67 1.97 0.31 0.50 -4.59 118.33 112.62 1uub n VAL 32 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1uub n VAL 32 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1uub n VAL 32 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1uub n TYR 33 N 0.00 -0.50 0.06 3.52 4.11 0.10 -4.76 117.16 119.69 1uub n TYR 33 Ca 0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 57.90 57.71 1uub n TYR 33 Cb 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 39.34 39.43 1uub n TYR 33 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1uub n GLY 34 N -0.15 -0.09 2.72 -7.48 0.00 -0.93 -1.81 105.19 97.46 1uub n GLY 34 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1uub n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uub n GLY 35 N 2.78 0.22 0.00 -0.02 0.00 -1.26 -4.37 105.19 102.53 1uub n GLY 35 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1uub n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uub n ARG 37 N 0.00 1.30 -1.16 0.00 -4.01 -1.26 -4.77 116.66 106.77 1uub n ARG 37 Ca 0.00 -0.36 -0.05 0.00 -1.04 0.00 0.00 57.85 56.39 1uub n ARG 37 Cb 0.00 -1.36 -0.02 0.00 -3.04 0.00 0.00 32.46 28.04 1uub n ARG 37 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1uub n ALA 38 N 0.19 -0.08 -2.71 2.89 0.00 -1.26 -3.05 120.51 116.50 1uub n ALA 38 Ca 0.05 0.09 -0.09 0.00 0.00 0.00 0.00 53.44 53.49 1uub n ALA 38 Cb 0.50 -1.50 -0.01 0.00 0.00 0.00 0.00 19.45 18.45 1uub n ALA 38 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1uub n LYS 39 N -0.32 -2.66 0.00 0.00 3.00 -1.26 -3.92 118.16 113.00 1uub n LYS 39 Ca -0.05 0.25 0.00 0.00 -0.00 0.00 0.00 58.31 58.50 1uub n LYS 39 Cb 0.49 -4.81 0.00 0.00 0.00 0.00 0.00 35.03 30.72 1uub n LYS 39 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1uub n SER 40 N -1.74 0.00 -4.67 3.14 2.88 -1.17 -4.77 113.62 107.29 1uub n SER 40 Ca -0.04 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.08 1uub n SER 40 Cb 0.54 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.97 1uub n SER 40 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1uub s ASN 41 N 0.00 6.55 -0.30 -3.46 2.47 -1.25 -4.90 114.94 114.05 1uub s ASN 41 Ca 0.00 2.50 -0.15 0.00 0.42 0.00 0.00 52.86 55.63 1uub s ASN 41 Cb 0.00 -2.54 0.18 0.00 -1.45 0.00 0.00 41.25 37.44 1uub s ASN 41 CO 0.00 -0.97 1.17 0.21 -3.72 0.00 0.00 177.10 173.80 1uub s ASN 42 N 3.39 -0.03 0.11 -4.21 3.84 -1.26 -4.81 114.94 111.98 1uub s ASN 42 Ca 0.79 -0.00 0.05 0.00 0.21 0.00 0.00 52.86 53.91 1uub s ASN 42 Cb -0.39 0.62 -0.04 0.00 -0.55 0.00 0.00 41.25 40.89 1uub s ASN 42 CO 0.35 -0.00 -0.13 0.72 -2.79 0.00 0.00 177.10 175.25 1uub s PHE 43 N 2.60 1.27 -0.28 0.43 -0.12 -0.95 -4.99 117.98 115.94 1uub s PHE 43 Ca 0.26 -0.59 0.11 0.00 -0.05 0.00 0.00 56.93 56.65 1uub s PHE 43 Cb 0.02 -0.67 0.25 0.00 -0.63 0.00 0.00 43.02 41.99 1uub s PHE 43 CO -0.20 0.09 1.18 0.36 -0.05 0.00 0.00 175.22 176.60 1uub n LYS 44 N 0.54 2.50 -2.30 1.99 2.85 -1.26 0.96 118.16 123.44 1uub n LYS 44 Ca -0.16 -2.17 -0.02 0.00 -1.05 0.00 0.00 58.31 54.91 1uub n LYS 44 Cb 0.57 -1.36 0.01 0.00 -0.65 0.00 0.00 35.03 33.60 1uub n LYS 44 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1uub n SER 45 N -0.52 -0.79 -0.02 -5.58 7.64 -1.26 -4.90 113.62 108.18 1uub n SER 45 Ca 0.11 -1.48 -0.16 0.00 1.01 0.00 0.00 58.87 58.35 1uub n SER 45 Cb 0.52 1.31 -0.09 0.00 -1.01 0.00 0.00 64.21 64.93 1uub n SER 45 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1uub h ALA 46 N 2.00 0.17 -0.30 -0.43 0.00 -1.98 0.98 119.26 119.71 1uub h ALA 46 Ca -0.12 -0.52 -0.06 0.00 0.00 0.00 0.00 54.91 54.21 1uub h ALA 46 Cb 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1uub h ALA 46 CO 0.16 0.38 -0.07 1.05 0.00 0.00 0.00 179.25 180.77 1uub h GLU 47 N 0.07 0.48 0.28 0.00 4.11 -1.98 0.12 114.58 117.66 1uub h GLU 47 Ca -0.05 -0.12 -0.01 0.00 0.07 0.00 0.00 59.36 59.25 1uub h GLU 47 Cb 1.20 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1uub h GLU 47 CO 0.11 0.56 -0.13 -0.44 0.07 0.00 0.00 179.01 179.18 1uub h ASP 48 N 0.45 -0.32 -0.89 3.06 3.32 -1.95 -0.71 116.42 119.39 1uub h ASP 48 Ca 0.09 -0.21 0.19 0.00 0.02 0.00 0.00 57.03 57.11 1uub h ASP 48 Cb 0.40 0.08 -0.07 0.00 0.22 0.00 0.00 39.33 39.97 1uub h ASP 48 CO 0.02 0.10 0.58 0.00 -1.72 0.00 0.00 179.24 178.23 1uub h MET 50 N 0.47 0.66 -0.62 0.00 2.86 -0.69 -2.20 114.93 115.42 1uub h MET 50 Ca 0.46 -0.67 0.01 0.00 -2.06 0.00 0.00 59.70 57.44 1uub h MET 50 Cb 1.05 0.18 -0.03 0.00 0.06 0.00 0.00 31.60 32.86 1uub h MET 50 CO -0.19 1.26 0.41 0.07 1.06 0.00 0.00 176.91 179.52 1uub h ARG 51 N 0.31 0.80 0.02 1.72 0.11 0.18 0.76 114.38 118.28 1uub h ARG 51 Ca -0.10 -0.05 -0.10 0.00 0.10 0.00 0.00 59.98 59.83 1uub h ARG 51 Cb 1.55 -0.18 -0.01 0.00 1.11 0.00 0.00 29.97 32.44 1uub h ARG 51 CO 0.18 0.53 -0.54 1.15 0.10 0.00 0.00 179.97 181.39 1uub h THR 52 N 0.82 1.46 0.00 0.08 2.02 -1.52 -3.41 112.91 112.36 1uub h THR 52 Ca 0.23 -2.31 0.00 0.00 0.77 0.00 0.00 66.41 65.10 1uub h THR 52 Cb -0.08 2.98 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 1uub h THR 52 CO -0.05 0.53 0.00 0.00 0.37 0.00 0.00 175.52 176.37 1uub h GLY 54 N 0.00 0.57 -5.11 0.00 0.00 0.58 -3.46 103.07 95.66 1uub h GLY 54 Ca 0.00 -0.86 0.14 0.00 0.00 0.00 0.00 47.33 46.62 1uub h GLY 54 CO 0.00 0.76 -0.07 -0.32 0.00 0.00 0.00 176.54 176.91 1uub s GLY 55 N -3.99 -1.61 0.00 4.60 0.00 0.11 -4.99 107.32 101.44 1uub s GLY 55 Ca -0.13 1.36 0.00 0.00 0.00 0.00 0.00 44.72 45.96 1uub s GLY 55 CO 0.83 4.39 0.46 0.00 0.00 0.00 0.00 173.10 178.78