#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nql s SER 4 N 0.00 4.08 -0.35 -2.24 1.04 -1.25 -5.02 113.70 109.96 1nql s SER 4 Ca 0.00 -0.44 -0.41 0.00 0.48 0.00 0.00 55.95 55.58 1nql s SER 4 Cb 0.00 -1.69 -0.16 0.00 0.10 0.00 0.00 66.02 64.27 1nql s SER 4 CO 0.00 -0.01 1.81 1.21 0.98 0.00 0.00 173.24 177.23 1nql n GLU 5 N 4.73 0.85 -3.86 4.02 2.13 -1.26 -2.85 120.64 124.40 1nql n GLU 5 Ca -0.19 0.30 -0.27 0.00 0.66 0.00 0.00 57.16 57.67 1nql n GLU 5 Cb 0.51 -2.00 -0.17 0.00 0.27 0.00 0.00 31.44 30.05 1nql n GLU 5 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1nql n PRO 7 N 4.95 2.10 -2.20 0.00 -0.04 -1.26 -3.48 135.00 135.07 1nql n PRO 7 Ca -0.11 -1.55 -0.27 0.00 -0.04 0.00 0.00 63.50 61.52 1nql n PRO 7 Cb 0.49 -2.54 0.16 0.00 -0.04 0.00 0.00 33.50 31.57 1nql n PRO 7 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1nql s LEU 8 N 0.26 2.82 0.33 1.53 1.43 -1.26 -4.63 118.68 119.16 1nql s LEU 8 Ca 0.43 0.00 0.11 0.00 -1.03 0.00 0.00 54.13 53.65 1nql s LEU 8 Cb 0.11 -2.16 1.01 0.00 0.03 0.00 0.00 46.19 45.18 1nql s LEU 8 CO -0.02 -2.39 1.64 0.28 0.23 0.00 0.00 176.35 176.09 1nql h SER 9 N -1.20 0.29 -0.36 2.29 0.02 -1.93 0.18 113.55 112.84 1nql h SER 9 Ca -0.41 0.21 -0.15 0.00 -0.84 0.00 0.00 61.79 60.59 1nql h SER 9 Cb 1.25 0.21 -0.09 0.00 0.14 0.00 0.00 62.40 63.91 1nql h SER 9 CO 0.39 -0.20 -0.02 1.41 -1.14 0.00 0.00 176.83 177.26 1nql n HIS 10 N -5.16 1.14 -4.18 3.45 8.25 -1.26 -5.01 115.22 112.45 1nql n HIS 10 Ca 0.29 -1.44 -0.29 0.00 -0.26 0.00 0.00 57.72 56.02 1nql n HIS 10 Cb 0.93 -0.47 -0.09 0.00 1.12 0.00 0.00 29.99 31.49 1nql n HIS 10 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1nql n ASP 11 N -0.99 0.71 -0.38 0.41 4.64 0.64 -4.90 116.55 116.66 1nql n ASP 11 Ca 0.32 -1.19 0.00 0.00 -1.38 0.00 0.00 54.79 52.54 1nql n ASP 11 Cb 1.03 -1.47 0.00 0.00 -1.04 0.00 0.00 41.12 39.64 1nql n ASP 11 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1nql n GLY 12 N -2.46 1.58 2.88 0.27 0.00 -1.23 -4.89 105.19 101.35 1nql n GLY 12 Ca -0.30 -1.68 -0.13 0.00 0.00 0.00 0.00 46.02 43.92 1nql n GLY 12 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nql s TYR 13 N 2.84 0.10 -0.02 1.61 1.51 -1.26 -2.50 117.35 119.63 1nql s TYR 13 Ca 0.00 -0.01 -0.30 0.00 -1.01 0.00 0.00 57.07 55.74 1nql s TYR 13 Cb 0.00 -0.07 -0.05 0.00 -0.11 0.00 0.00 41.96 41.73 1nql s TYR 13 CO 0.00 -0.01 1.44 0.00 -1.11 0.00 0.00 175.55 175.88 1nql n LEU 15 N 5.74 0.00 -4.14 0.00 4.77 -0.41 -3.89 117.00 119.07 1nql n LEU 15 Ca 0.14 -0.24 -0.31 0.00 -0.03 0.00 0.00 56.01 55.57 1nql n LEU 15 Cb 0.43 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.47 1nql n LEU 15 CO 0.59 -0.40 -0.18 1.41 -1.33 0.00 0.00 177.39 177.48 1nql n HIS 16 N -0.86 -1.62 -0.98 -1.77 8.25 -1.26 -1.99 115.22 114.98 1nql n HIS 16 Ca 0.01 0.75 0.00 0.00 -0.26 0.00 0.00 57.72 58.21 1nql n HIS 16 Cb 0.06 -3.22 0.00 0.00 1.12 0.00 0.00 29.99 27.94 1nql n HIS 16 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1nql n ASP 17 N -2.82 -0.08 -4.60 0.41 -0.08 -1.26 -4.51 116.55 103.61 1nql n ASP 17 Ca -0.14 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.85 1nql n ASP 17 Cb 0.60 -0.10 0.17 0.00 2.34 0.00 0.00 41.12 44.12 1nql n ASP 17 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1nql s GLY 18 N -2.00 1.58 0.05 0.27 0.00 -0.84 -4.69 107.32 101.69 1nql s GLY 18 Ca 0.00 -0.55 0.02 0.00 0.00 0.00 0.00 44.72 44.19 1nql s GLY 18 CO 0.00 0.08 -0.08 -1.34 0.00 0.00 0.00 173.10 171.76 1nql s VAL 19 N -3.16 0.62 0.19 1.40 -7.23 -0.88 -4.56 120.40 106.79 1nql s VAL 19 Ca 0.66 -1.22 -0.28 0.00 -1.81 0.00 0.00 61.98 59.33 1nql s VAL 19 Cb -0.15 -0.80 -0.08 0.00 0.56 0.00 0.00 36.38 35.91 1nql s VAL 19 CO 0.55 -0.43 0.88 0.00 -0.31 0.00 0.00 175.10 175.79 1nql s MET 21 N -0.96 0.79 -0.16 0.00 0.23 0.11 -4.80 119.30 114.52 1nql s MET 21 Ca 0.40 -1.31 0.02 0.00 -1.03 0.00 0.00 55.69 53.77 1nql s MET 21 Cb -0.24 0.24 0.02 0.00 -1.53 0.00 0.00 34.83 33.31 1nql s MET 21 CO 0.29 -0.20 -0.20 -0.47 -2.03 0.00 0.00 175.02 172.41 1nql s TYR 22 N -3.98 2.65 -0.36 3.16 5.04 -1.26 0.40 117.35 123.01 1nql s TYR 22 Ca 0.15 -1.47 -0.25 0.00 -2.44 0.00 0.00 57.07 53.06 1nql s TYR 22 Cb 0.07 -1.83 0.01 0.00 0.35 0.00 0.00 41.96 40.56 1nql s TYR 22 CO -0.04 -0.71 0.90 0.42 -1.34 0.00 0.00 175.55 174.77 1nql s ILE 23 N 1.12 4.63 0.12 3.14 1.09 0.31 -4.92 121.20 126.68 1nql s ILE 23 Ca 0.00 1.17 -0.08 0.00 -1.10 0.00 0.00 60.65 60.64 1nql s ILE 23 Cb -0.14 -4.30 -0.17 0.00 -1.06 0.00 0.00 42.46 36.79 1nql s ILE 23 CO -0.08 -0.49 1.30 -0.33 -0.10 0.00 0.00 174.94 175.24 1nql h GLU 24 N 8.42 0.56 -0.01 2.79 5.08 -1.99 -3.07 114.58 126.36 1nql h GLU 24 Ca -0.23 -0.54 0.00 0.00 -1.00 0.00 0.00 59.36 57.59 1nql h GLU 24 Cb 1.08 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1nql h GLU 24 CO 0.96 1.16 -0.12 0.00 -1.00 0.00 0.00 179.01 180.02 1nql h ALA 25 N 0.66 -0.58 -3.30 3.43 0.00 -1.96 -3.38 119.26 114.13 1nql h ALA 25 Ca -0.08 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.49 1nql h ALA 25 Cb 1.51 0.62 0.16 0.00 0.00 0.00 0.00 17.79 20.09 1nql h ALA 25 CO 0.16 -0.62 0.08 1.28 0.00 0.00 0.00 179.25 180.16 1nql n LEU 26 N -3.16 0.00 -3.57 0.00 4.77 -1.26 -4.99 117.00 108.79 1nql n LEU 26 Ca -0.02 -0.94 -0.27 0.00 -0.03 0.00 0.00 56.01 54.76 1nql n LEU 26 Cb 0.09 -0.82 -0.10 0.00 -2.33 0.00 0.00 43.42 40.25 1nql n LEU 26 CO 0.02 -2.00 -0.13 -0.67 -1.33 0.00 0.00 177.39 173.29 1nql n ASP 27 N -4.58 1.78 -3.77 -1.43 2.03 -1.25 -4.80 116.55 104.53 1nql n ASP 27 Ca 0.12 -2.95 -0.13 0.00 0.52 0.00 0.00 54.79 52.36 1nql n ASP 27 Cb 0.48 -0.67 -0.10 0.00 -0.72 0.00 0.00 41.12 40.12 1nql n ASP 27 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1nql s LYS 28 N -1.18 0.54 0.18 -0.67 -0.14 -1.16 -5.04 119.74 112.26 1nql s LYS 28 Ca 0.31 0.03 0.03 0.00 -1.36 0.00 0.00 55.97 54.99 1nql s LYS 28 Cb 0.04 0.25 -0.03 0.00 -1.68 0.00 0.00 37.83 36.41 1nql s LYS 28 CO -0.14 -0.13 0.29 0.71 -0.76 0.00 0.00 175.35 175.32 1nql s TYR 29 N -0.76 3.44 0.36 3.18 1.51 -1.26 -0.53 117.35 123.28 1nql s TYR 29 Ca -0.09 0.06 -0.12 0.00 -1.01 0.00 0.00 57.07 55.92 1nql s TYR 29 Cb -0.04 -1.62 0.05 0.00 -0.11 0.00 0.00 41.96 40.23 1nql s TYR 29 CO 0.03 0.50 0.69 0.00 -1.11 0.00 0.00 175.55 175.65 1nql n ALA 30 N -0.78 -1.47 -2.84 3.71 0.00 0.16 -4.85 120.51 114.44 1nql n ALA 30 Ca -0.08 -1.19 -0.27 0.00 0.00 0.00 0.00 53.44 51.90 1nql n ALA 30 Cb 0.55 0.95 -0.05 0.00 0.00 0.00 0.00 19.45 20.90 1nql n ALA 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nql s ASN 32 N -3.04 5.80 0.38 0.00 2.47 0.57 -4.81 114.94 116.31 1nql s ASN 32 Ca 0.32 -2.65 -0.27 0.00 0.42 0.00 0.00 52.86 50.68 1nql s ASN 32 Cb -0.11 -1.99 -0.09 0.00 -1.45 0.00 0.00 41.25 37.61 1nql s ASN 32 CO 0.25 -0.49 1.32 0.00 -3.72 0.00 0.00 177.10 174.46 1nql s VAL 34 N -1.21 2.32 0.23 0.00 1.01 -1.26 -4.93 120.40 116.56 1nql s VAL 34 Ca 0.54 0.19 -0.31 0.00 0.00 0.00 0.00 61.98 62.39 1nql s VAL 34 Cb -0.39 -2.98 -0.14 0.00 0.00 0.00 0.00 36.38 32.87 1nql s VAL 34 CO 0.52 -0.06 1.32 1.33 0.00 0.00 0.00 175.10 178.21 1nql n VAL 35 N -2.03 1.04 -0.37 2.92 0.24 -1.26 -3.33 118.33 115.53 1nql n VAL 35 Ca 0.14 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 1nql n VAL 35 Cb 0.49 -1.30 0.00 0.00 -1.47 0.00 0.00 33.84 31.56 1nql n VAL 35 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1nql n GLY 36 N 2.01 0.77 2.92 7.63 0.00 -1.26 -5.09 105.19 112.18 1nql n GLY 36 Ca 0.12 -0.36 -0.12 0.00 0.00 0.00 0.00 46.02 45.66 1nql n GLY 36 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nql s TYR 37 N -2.00 0.15 0.35 1.61 1.51 -1.21 -3.31 117.35 114.45 1nql s TYR 37 Ca 0.00 -0.18 0.06 0.00 -1.01 0.00 0.00 57.07 55.94 1nql s TYR 37 Cb 0.00 -0.10 -0.07 0.00 -0.11 0.00 0.00 41.96 41.68 1nql s TYR 37 CO 0.00 -0.06 0.00 0.96 -1.11 0.00 0.00 175.55 175.35 1nql s ILE 38 N -0.48 1.65 0.00 2.71 -4.36 0.11 -4.88 121.20 115.94 1nql s ILE 38 Ca -0.05 -2.04 0.00 0.00 -0.26 0.00 0.00 60.65 58.30 1nql s ILE 38 Cb -0.03 -2.78 0.00 0.00 1.25 0.00 0.00 42.46 40.89 1nql s ILE 38 CO -0.00 -0.08 0.00 0.61 0.24 0.00 0.00 174.94 175.71 1nql n GLY 39 N -0.77 1.30 0.22 6.27 0.00 -1.26 -2.14 105.19 108.81 1nql n GLY 39 Ca -0.04 -1.84 -0.03 0.00 0.00 0.00 0.00 46.02 44.11 1nql n GLY 39 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1nql h GLU 40 N 0.00 0.53 -0.65 1.61 4.81 -1.99 -1.42 114.58 117.47 1nql h GLU 40 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1nql h GLU 40 Cb 0.00 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.26 1nql h GLU 40 CO 0.00 0.35 0.00 0.54 -0.73 0.00 0.00 179.01 179.17 1nql n ARG 41 N -4.86 3.71 -1.78 1.92 1.74 -1.26 -3.99 116.66 112.14 1nql n ARG 41 Ca 0.06 -2.71 -0.14 0.00 -0.77 0.00 0.00 57.85 54.29 1nql n ARG 41 Cb 0.15 -1.91 -0.04 0.00 -1.02 0.00 0.00 32.46 29.64 1nql n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nql n GLN 43 N -2.48 0.87 -4.31 0.00 0.00 -0.93 -4.45 117.38 106.08 1nql n GLN 43 Ca -0.15 -0.04 -0.19 0.00 0.00 0.00 0.00 57.00 56.62 1nql n GLN 43 Cb 0.53 -1.50 -0.15 0.00 0.00 0.00 0.00 30.24 29.11 1nql n GLN 43 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 1nql s TYR 44 N -2.16 0.82 0.30 2.61 4.12 -0.91 -5.00 117.35 117.13 1nql s TYR 44 Ca 0.42 -0.20 -0.29 0.00 0.02 0.00 0.00 57.07 57.02 1nql s TYR 44 Cb 0.21 -0.60 -0.10 0.00 -1.52 0.00 0.00 41.96 39.95 1nql s TYR 44 CO 0.40 -0.10 1.42 0.50 0.02 0.00 0.00 175.55 177.79 1nql s ARG 45 N 0.26 4.25 0.07 -0.62 3.52 -1.26 0.04 118.95 125.22 1nql s ARG 45 Ca -0.04 2.35 0.04 0.00 -0.13 0.00 0.00 55.73 57.94 1nql s ARG 45 Cb -0.08 -3.07 0.19 0.00 -1.56 0.00 0.00 34.95 30.43 1nql s ARG 45 CO 0.00 -0.39 0.98 -3.47 -0.81 0.00 0.00 175.30 171.61 1nql n ASP 46 N 1.60 0.09 0.00 -2.12 -0.08 -1.21 -4.78 116.55 110.06 1nql n ASP 46 Ca 0.04 0.42 0.00 0.00 -1.51 0.00 0.00 54.79 53.74 1nql n ASP 46 Cb 0.40 -0.41 0.00 0.00 2.34 0.00 0.00 41.12 43.45 1nql n ASP 46 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1nql n LEU 47 N -1.53 0.01 0.00 -2.67 4.32 -1.26 -4.45 117.00 111.42 1nql n LEU 47 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1nql n LEU 47 Cb 0.16 -0.07 0.00 0.00 -1.62 0.00 0.00 43.42 41.89 1nql n LEU 47 CO 0.02 -0.01 0.00 0.29 -1.22 0.00 0.00 177.39 176.47 1nql n LYS 48 N -2.00 0.00 -2.31 3.23 5.02 -1.26 -5.02 118.16 115.81 1nql n LYS 48 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 1nql n LYS 48 Cb 0.00 -0.06 -0.03 0.00 -0.02 0.00 0.00 35.03 34.92 1nql n LYS 48 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 1nql s TRP 49 N -1.87 2.10 0.00 2.13 -0.00 -1.26 -5.24 118.94 114.79 1nql s TRP 49 Ca 0.00 0.45 0.00 0.00 -0.00 0.00 0.00 56.10 56.55 1nql s TRP 49 Cb 0.00 -4.35 0.00 0.00 -0.00 0.00 0.00 33.47 29.12 1nql s TRP 49 CO 0.00 -2.13 0.00 0.91 -0.00 0.00 0.00 176.95 175.73