#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x32 s SER 2 N 0.00 -0.47 0.30 1.61 0.01 -1.26 -5.12 113.70 108.77 1x32 s SER 2 Ca 0.00 0.74 0.00 0.00 1.31 0.00 0.00 55.95 58.00 1x32 s SER 2 Cb 0.00 0.77 0.00 0.00 0.21 0.00 0.00 66.02 67.00 1x32 s SER 2 CO 0.00 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 173.95 1x32 n GLY 3 N 2.12 -2.83 2.75 3.44 0.00 -1.26 -4.83 105.19 104.58 1x32 n GLY 3 Ca -0.16 -1.26 -0.09 0.00 0.00 0.00 0.00 46.02 44.51 1x32 n GLY 3 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1x32 n GLU 4 N -3.25 -1.61 0.11 1.61 2.13 -1.26 -4.83 120.64 113.53 1x32 n GLU 4 Ca -0.04 0.81 -0.17 0.00 0.66 0.00 0.00 57.16 58.42 1x32 n GLU 4 Cb 0.35 -5.17 -0.14 0.00 0.27 0.00 0.00 31.44 26.75 1x32 n GLU 4 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1x32 h VAL 5 N 0.00 1.48 -5.25 6.31 2.07 -1.99 -3.44 116.25 115.44 1x32 h VAL 5 Ca -0.19 -3.02 -0.00 0.00 0.82 0.00 0.00 66.70 64.31 1x32 h VAL 5 Cb 1.09 2.94 0.00 0.00 -1.52 0.00 0.00 31.29 33.80 1x32 h VAL 5 CO 0.28 0.88 -0.94 -3.20 0.02 0.00 0.00 177.57 174.61 1x32 n ASN 6 N -3.56 -7.94 0.06 0.57 2.85 -1.26 -4.99 115.26 100.99 1x32 n ASN 6 Ca -0.09 1.25 0.00 0.00 -0.11 0.00 0.00 54.58 55.63 1x32 n ASN 6 Cb 1.02 -5.11 0.00 0.00 1.24 0.00 0.00 39.78 36.93 1x32 n ASN 6 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1x32 n LYS 7 N 0.61 0.00 -3.84 1.20 2.85 -1.26 -4.89 118.16 112.82 1x32 n LYS 7 Ca 0.01 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.11 1x32 n LYS 7 Cb 0.10 0.00 -0.16 0.00 -0.65 0.00 0.00 35.03 34.31 1x32 n LYS 7 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 177.40 175.85 1x32 s ILE 8 N -1.28 0.07 -0.08 0.58 -1.16 -1.26 -5.00 121.20 113.07 1x32 s ILE 8 Ca 0.00 0.16 0.04 0.00 -0.51 0.00 0.00 60.65 60.35 1x32 s ILE 8 Cb 0.00 -0.19 0.00 0.00 0.61 0.00 0.00 42.46 42.88 1x32 s ILE 8 CO 0.00 0.13 -0.21 0.27 -2.81 0.00 0.00 174.94 172.31 1x32 s ILE 9 N 1.15 1.84 -0.28 2.00 -4.36 -1.26 -4.76 121.20 115.53 1x32 s ILE 9 Ca -0.08 -0.90 0.00 0.00 -0.26 0.00 0.00 60.65 59.41 1x32 s ILE 9 Cb -0.13 -1.59 0.15 0.00 1.25 0.00 0.00 42.46 42.14 1x32 s ILE 9 CO -0.02 0.51 0.37 -0.83 0.24 0.00 0.00 174.94 175.21 1x32 s GLY 10 N 0.28 -0.43 0.24 6.27 0.00 -1.26 -4.97 107.32 107.45 1x32 s GLY 10 Ca -0.14 0.28 -0.10 0.00 0.00 0.00 0.00 44.72 44.76 1x32 s GLY 10 CO 0.06 2.85 0.39 -0.56 0.00 0.00 0.00 173.10 175.85 1x32 s SER 11 N 2.50 -0.03 -0.29 1.64 0.01 -1.26 -4.74 113.70 111.52 1x32 s SER 11 Ca 0.10 -1.04 0.04 0.00 1.31 0.00 0.00 55.95 56.37 1x32 s SER 11 Cb -0.14 0.54 0.20 0.00 0.21 0.00 0.00 66.02 66.83 1x32 s SER 11 CO -0.27 -1.07 0.59 0.00 0.41 0.00 0.00 173.24 172.90 1x32 s ARG 12 N -4.05 0.56 0.00 12.44 1.70 -1.26 -4.46 118.95 123.88 1x32 s ARG 12 Ca 0.26 0.67 0.00 0.00 -0.47 0.00 0.00 55.73 56.19 1x32 s ARG 12 Cb 0.01 0.33 0.00 0.00 -0.57 0.00 0.00 34.95 34.72 1x32 s ARG 12 CO 0.10 -0.93 0.00 2.41 -1.08 0.00 0.00 175.30 175.79 1x32 n THR 13 N 5.42 0.00 0.13 4.99 -1.04 -1.24 -4.79 114.28 117.76 1x32 n THR 13 Ca 0.03 0.15 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 1x32 n THR 13 Cb 0.53 -0.73 0.00 0.00 -1.82 0.00 0.00 70.33 68.31 1x32 n THR 13 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x32 n ALA 14 N -1.29 1.36 0.00 2.41 0.00 0.59 -4.87 120.51 118.71 1x32 n ALA 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1x32 n ALA 14 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1x32 n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x32 n GLY 15 N -0.14 3.58 0.29 0.00 0.00 0.55 -4.88 105.19 104.58 1x32 n GLY 15 Ca 0.00 -1.01 0.12 0.00 0.00 0.00 0.00 46.02 45.13 1x32 n GLY 15 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1x32 h GLU 16 N 0.00 0.00 0.00 1.61 -0.00 -1.98 -3.41 114.58 110.80 1x32 h GLU 16 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1x32 h GLU 16 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.75 1x32 h GLU 16 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 179.01 179.42 1x32 n GLY 17 N -1.47 -0.43 3.70 1.06 0.00 -1.26 -4.96 105.19 101.83 1x32 n GLY 17 Ca -0.02 0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 1x32 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x32 s ALA 18 N -1.95 3.31 0.00 4.61 0.00 -1.26 -2.97 121.76 123.50 1x32 s ALA 18 Ca 0.00 -1.29 0.02 0.00 0.00 0.00 0.00 51.96 50.69 1x32 s ALA 18 Cb 0.00 -1.12 0.03 0.00 0.00 0.00 0.00 23.12 22.03 1x32 s ALA 18 CO 0.00 0.52 0.80 -0.12 0.00 0.00 0.00 175.76 176.96 1x32 n MET 19 N -0.07 0.00 -3.88 0.00 1.56 -1.26 0.22 117.12 113.69 1x32 n MET 19 Ca -0.09 -0.66 -0.09 0.00 -0.27 0.00 0.00 57.70 56.59 1x32 n MET 19 Cb 0.55 0.18 -0.00 0.00 2.15 0.00 0.00 33.22 36.09 1x32 n MET 19 CO 0.00 0.00 0.00 -1.21 -0.73 0.00 0.00 175.97 174.03 1x32 s GLU 20 N 0.00 2.01 0.00 2.12 2.02 -1.04 -3.67 118.70 120.13 1x32 s GLU 20 Ca 0.03 -1.33 0.00 0.00 0.02 0.00 0.00 54.97 53.68 1x32 s GLU 20 Cb 0.03 0.58 0.00 0.00 0.10 0.00 0.00 34.13 34.84 1x32 s GLU 20 CO -0.01 -0.91 0.00 2.48 0.02 0.00 0.00 175.26 176.83 1x32 n TYR 21 N -0.50 0.00 -3.28 1.61 0.18 -1.03 0.21 117.16 114.35 1x32 n TYR 21 Ca -0.05 0.00 -0.39 0.00 1.88 0.00 0.00 57.90 59.34 1x32 n TYR 21 Cb 0.60 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.50 1x32 n TYR 21 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1x32 s LEU 22 N -0.67 4.48 0.00 -3.48 2.01 -1.26 -4.28 118.68 115.48 1x32 s LEU 22 Ca 0.00 1.19 0.00 0.00 0.01 0.00 0.00 54.13 55.33 1x32 s LEU 22 Cb 0.00 -2.86 0.00 0.00 0.01 0.00 0.00 46.19 43.34 1x32 s LEU 22 CO 0.00 0.22 0.00 2.30 1.01 0.00 0.00 176.35 179.88 1x32 n ILE 23 N 2.08 0.00 -1.86 -0.59 -0.00 -1.26 -4.65 119.36 113.08 1x32 n ILE 23 Ca -0.10 0.00 -0.09 0.00 -0.00 0.00 0.00 62.75 62.57 1x32 n ILE 23 Cb 0.51 0.00 -0.02 0.00 -0.00 0.00 0.00 39.64 40.13 1x32 n ILE 23 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.55 177.76 1x32 n GLU 24 N 0.00 -1.83 -1.73 6.28 2.13 -1.26 -4.73 120.64 119.50 1x32 n GLU 24 Ca 0.00 0.46 0.03 0.00 0.66 0.00 0.00 57.16 58.31 1x32 n GLU 24 Cb 0.00 -4.83 0.04 0.00 0.27 0.00 0.00 31.44 26.92 1x32 n GLU 24 CO 0.00 0.00 0.00 -2.67 -0.41 0.00 0.00 177.13 174.05 1x32 n TRP 25 N -2.35 0.30 -2.31 4.31 2.14 -1.26 -4.98 117.44 113.29 1x32 n TRP 25 Ca -0.09 -0.91 -0.02 0.00 2.07 0.00 0.00 57.50 58.55 1x32 n TRP 25 Cb 0.43 -0.17 -0.00 0.00 -0.81 0.00 0.00 31.31 30.75 1x32 n TRP 25 CO 0.00 0.00 0.00 1.17 2.07 0.00 0.00 177.69 180.93 1x32 n LYS 26 N 0.17 -2.65 -3.57 -2.67 3.00 -1.26 -0.53 118.16 110.65 1x32 n LYS 26 Ca 0.08 0.00 -0.25 0.00 -0.00 0.00 0.00 58.31 58.14 1x32 n LYS 26 Cb 1.05 -3.90 -0.03 0.00 0.00 0.00 0.00 35.03 32.15 1x32 n LYS 26 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1x32 n ASP 27 N -1.33 -2.47 -0.18 3.14 5.75 -1.26 -4.81 116.55 115.40 1x32 n ASP 27 Ca 0.00 -0.48 -0.06 0.00 -0.01 0.00 0.00 54.79 54.25 1x32 n ASP 27 Cb 0.43 -2.11 0.00 0.00 -1.03 0.00 0.00 41.12 38.42 1x32 n ASP 27 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1x32 h GLY 28 N -0.73 -0.11 -7.01 6.12 0.00 -1.17 -3.32 103.07 96.85 1x32 h GLY 28 Ca -0.39 0.41 -0.59 0.00 0.00 0.00 0.00 47.33 46.76 1x32 h GLY 28 CO 0.53 -0.21 -0.76 -1.58 0.00 0.00 0.00 176.54 174.52 1x32 s HIS 29 N -6.02 1.69 0.00 5.60 2.46 -1.26 -5.05 115.29 112.71 1x32 s HIS 29 Ca -0.14 -2.00 0.00 0.00 0.47 0.00 0.00 55.06 53.38 1x32 s HIS 29 Cb 0.15 -1.68 0.00 0.00 -0.13 0.00 0.00 32.58 30.92 1x32 s HIS 29 CO 0.69 -0.83 0.00 0.45 -2.47 0.00 0.00 174.74 172.58 1x32 n SER 30 N 4.21 0.00 -3.08 9.88 2.88 -1.25 -4.58 113.62 121.67 1x32 n SER 30 Ca 0.04 0.89 -0.43 0.00 -1.33 0.00 0.00 58.87 58.03 1x32 n SER 30 Cb 0.38 -1.33 -0.06 0.00 -0.75 0.00 0.00 64.21 62.45 1x32 n SER 30 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1x32 n PRO 31 N 1.82 0.00 -4.17 -1.46 -0.01 -1.26 -4.87 135.00 125.05 1x32 n PRO 31 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 63.50 63.34 1x32 n PRO 31 Cb 0.00 -0.99 -0.07 0.00 -0.01 0.00 0.00 33.50 32.43 1x32 n PRO 31 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 175.50 174.37 1x32 s SER 32 N 1.52 0.79 -0.55 2.55 0.01 -1.26 -4.94 113.70 111.83 1x32 s SER 32 Ca 0.67 -1.48 -0.17 0.00 1.31 0.00 0.00 55.95 56.28 1x32 s SER 32 Cb -0.95 0.53 0.11 0.00 0.21 0.00 0.00 66.02 65.92 1x32 s SER 32 CO 0.50 -1.06 0.56 0.86 0.41 0.00 0.00 173.24 174.51 1x32 s TRP 33 N -3.65 3.16 0.00 2.43 -0.11 -1.26 -4.32 118.94 115.19 1x32 s TRP 33 Ca 0.36 -1.10 -0.18 0.00 1.22 0.00 0.00 56.10 56.40 1x32 s TRP 33 Cb 0.03 -3.78 0.03 0.00 -1.50 0.00 0.00 33.47 28.25 1x32 s TRP 33 CO 0.19 -1.08 0.38 0.54 -4.62 0.00 0.00 176.95 172.36 1x32 s VAL 34 N 2.02 0.05 -0.20 5.86 0.11 0.56 -4.59 120.40 124.21 1x32 s VAL 34 Ca 0.07 -0.43 0.15 0.00 -2.93 0.00 0.00 61.98 58.84 1x32 s VAL 34 Cb -0.27 -0.78 0.15 0.00 -1.53 0.00 0.00 36.38 33.95 1x32 s VAL 34 CO 0.05 -0.24 1.42 -2.65 -3.33 0.00 0.00 175.10 170.35 1x32 n PRO 35 N 0.97 0.10 0.00 1.54 -0.02 -1.25 -2.46 135.00 133.88 1x32 n PRO 35 Ca -0.20 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1x32 n PRO 35 Cb 0.57 -1.96 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 1x32 n PRO 35 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1x32 n SER 36 N -2.06 0.00 0.00 2.55 2.88 -1.26 -4.53 113.62 111.20 1x32 n SER 36 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1x32 n SER 36 Cb 0.15 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.61 1x32 n SER 36 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x32 n SER 37 N 0.00 0.00 -3.33 -3.46 7.64 -1.24 -4.66 113.62 108.56 1x32 n SER 37 Ca 0.00 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.91 1x32 n SER 37 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 1x32 n SER 37 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1x32 s TYR 38 N 0.02 -0.07 -0.04 1.43 1.51 -1.26 -4.69 117.35 114.25 1x32 s TYR 38 Ca 0.00 0.12 0.19 0.00 -1.01 0.00 0.00 57.07 56.37 1x32 s TYR 38 Cb 0.00 0.04 0.35 0.00 -0.11 0.00 0.00 41.96 42.24 1x32 s TYR 38 CO 0.00 -0.03 1.15 0.44 -1.11 0.00 0.00 175.55 176.00 1x32 n ILE 39 N 4.06 0.47 -1.56 2.71 -5.35 -1.26 0.81 119.36 119.25 1x32 n ILE 39 Ca -0.10 -1.28 -0.18 0.00 -0.27 0.00 0.00 62.75 60.92 1x32 n ILE 39 Cb 0.56 0.65 -0.07 0.00 -1.74 0.00 0.00 39.64 39.04 1x32 n ILE 39 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1x32 n ALA 40 N 0.05 0.43 0.00 -1.28 0.00 -1.26 -2.39 120.51 116.06 1x32 n ALA 40 Ca 0.08 -1.30 0.00 0.00 0.00 0.00 0.00 53.44 52.22 1x32 n ALA 40 Cb 0.97 -3.26 0.00 0.00 0.00 0.00 0.00 19.45 17.17 1x32 n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x32 n ALA 41 N 18.00 0.00 0.00 0.00 0.00 -1.26 -5.03 120.51 132.22 1x32 n ALA 41 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1x32 n ALA 41 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 1x32 n ALA 41 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1x32 n ASP 42 N 0.00 0.00 -0.33 0.00 -0.08 -1.01 -5.19 116.55 109.94 1x32 n ASP 42 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1x32 n ASP 42 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1x32 n ASP 42 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1x32 n VAL 43 N 0.00 0.00 -3.53 5.18 0.31 -1.24 -5.12 118.33 113.93 1x32 n VAL 43 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.06 1x32 n VAL 43 Cb 0.00 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 32.79 1x32 n VAL 43 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 1x32 s VAL 44 N -2.04 -0.13 -0.82 2.52 -7.23 -1.26 -4.26 120.40 107.19 1x32 s VAL 44 Ca 0.00 -0.62 0.00 0.00 -1.81 0.00 0.00 61.98 59.55 1x32 s VAL 44 Cb 0.00 -0.91 0.00 0.00 0.56 0.00 0.00 36.38 36.03 1x32 s VAL 44 CO 0.00 -0.61 0.00 -0.24 -0.31 0.00 0.00 175.10 173.94 1x32 n SER 45 N 5.26 -5.17 -3.65 4.85 2.88 -1.16 -4.90 113.62 111.74 1x32 n SER 45 Ca -0.06 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 1x32 n SER 45 Cb 0.44 -3.35 -0.06 0.00 -0.75 0.00 0.00 64.21 60.49 1x32 n SER 45 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1x32 s GLU 46 N -2.42 0.05 0.00 -1.46 2.12 -1.26 -3.72 118.70 112.02 1x32 s GLU 46 Ca 0.00 0.08 0.06 0.00 0.36 0.00 0.00 54.97 55.47 1x32 s GLU 46 Cb 0.00 0.02 0.37 0.00 0.26 0.00 0.00 34.13 34.78 1x32 s GLU 46 CO 0.00 -0.01 0.84 0.98 -0.54 0.00 0.00 175.26 176.53