#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s4x h LEU 22 N 0.00 -1.38 0.17 -0.35 5.85 -2.05 1.32 115.31 118.87 1s4x h LEU 22 Ca 0.00 0.19 -0.35 0.00 0.84 0.00 0.00 57.88 58.56 1s4x h LEU 22 Cb 0.00 0.58 0.00 0.00 0.37 0.00 0.00 40.66 41.61 1s4x h LEU 22 CO 0.00 -0.25 -1.77 0.25 -0.34 0.00 0.00 178.44 176.33 1s4x h LEU 23 N -0.19 0.57 -2.00 2.25 5.85 -2.02 -2.06 115.31 117.71 1s4x h LEU 23 Ca 0.07 -0.90 0.00 0.00 0.84 0.00 0.00 57.88 57.89 1s4x h LEU 23 Cb 0.38 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 1s4x h LEU 23 CO -0.49 1.77 0.33 0.40 -0.34 0.00 0.00 178.44 180.11 1s4x h ILE 24 N 0.10 0.01 0.06 4.05 2.04 -1.92 2.21 117.51 124.06 1s4x h ILE 24 Ca -0.35 0.00 -0.37 0.00 1.00 0.00 0.00 64.86 65.14 1s4x h ILE 24 Cb 2.09 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 38.79 1s4x h ILE 24 CO 0.16 0.00 -2.17 0.41 0.00 0.00 0.00 178.15 176.56 1s4x n THR 25 N -2.91 1.63 -0.00 -0.27 -1.04 0.45 -3.76 114.28 108.39 1s4x n THR 25 Ca -0.02 -0.56 -0.12 0.00 -2.04 0.00 0.00 64.05 61.32 1s4x n THR 25 Cb 0.38 -1.65 -0.09 0.00 -1.82 0.00 0.00 70.33 67.15 1s4x n THR 25 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1s4x h ILE 26 N -0.11 1.22 0.00 12.58 2.04 0.30 1.09 117.51 134.63 1s4x h ILE 26 Ca -0.50 -1.45 0.00 0.00 1.00 0.00 0.00 64.86 63.91 1s4x h ILE 26 Cb 1.90 2.10 0.00 0.00 -0.74 0.00 0.00 36.82 40.08 1s4x h ILE 26 CO -0.04 0.34 0.14 1.57 0.00 0.00 0.00 178.15 180.16 1s4x n HIS 27 N -4.82 0.22 -0.04 1.37 -0.00 0.71 -1.92 115.22 110.74 1s4x n HIS 27 Ca -0.08 0.11 -0.05 0.00 0.46 0.00 0.00 57.72 58.16 1s4x n HIS 27 Cb 0.31 -0.56 -0.04 0.00 -0.12 0.00 0.00 29.99 29.58 1s4x n HIS 27 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 1s4x n ASP 28 N -1.67 3.38 0.18 0.26 9.92 -1.07 -4.52 116.55 123.03 1s4x n ASP 28 Ca -0.00 -0.04 0.07 0.00 -0.53 0.00 0.00 54.79 54.28 1s4x n ASP 28 Cb 0.15 -0.08 0.36 0.00 -0.64 0.00 0.00 41.12 40.92 1s4x n ASP 28 CO 0.00 0.00 0.00 0.08 0.13 0.00 0.00 177.20 177.41 1s4x h ARG 29 N 0.00 0.00 -0.18 -1.24 0.11 0.19 -0.29 114.38 112.97 1s4x h ARG 29 Ca -0.18 0.00 0.04 0.00 0.10 0.00 0.00 59.98 59.94 1s4x h ARG 29 Cb 1.28 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.32 1s4x h ARG 29 CO -0.03 0.00 -0.08 1.57 0.10 0.00 0.00 179.97 181.54 1s4x h LYS 30 N 0.00 -0.05 -0.16 0.08 2.10 -1.77 2.24 116.57 119.01 1s4x h LYS 30 Ca 0.00 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.60 1s4x h LYS 30 Cb 0.66 0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 32.00 1s4x h LYS 30 CO 0.00 -0.03 -0.11 0.93 -2.00 0.00 0.00 179.45 178.24 1s4x h GLU 31 N -0.05 0.35 -0.13 0.07 5.08 -1.37 0.20 114.58 118.73 1s4x h GLU 31 Ca 0.10 -0.17 0.05 0.00 -1.00 0.00 0.00 59.36 58.34 1s4x h GLU 31 Cb 0.20 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.39 1s4x h GLU 31 CO -0.22 0.70 -0.25 0.35 -1.00 0.00 0.00 179.01 178.59 1s4x h PHE 32 N 0.01 -0.66 0.00 4.33 3.04 -1.30 0.66 116.94 123.02 1s4x h PHE 32 Ca 0.03 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.01 1s4x h PHE 32 Cb 0.61 0.31 -0.00 0.00 2.56 0.00 0.00 35.95 39.43 1s4x h PHE 32 CO 0.07 -0.33 -0.00 0.00 -2.02 0.00 0.00 178.31 176.03 1s4x h ALA 33 N 0.63 1.01 0.00 2.41 0.00 0.38 -2.98 119.26 120.71 1s4x h ALA 33 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1s4x h ALA 33 Cb 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1s4x h ALA 33 CO -0.31 0.00 -0.18 -0.22 0.00 0.00 0.00 179.25 178.54 1s4x h LYS 34 N 0.00 0.00 0.00 0.00 3.64 0.23 -3.33 116.57 117.11 1s4x h LYS 34 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1s4x h LYS 34 Cb 0.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1s4x h LYS 34 CO 0.00 0.00 0.20 1.97 -2.27 0.00 0.00 179.45 179.35 1s4x n PHE 35 N -3.89 0.31 -0.23 1.91 1.16 0.58 -0.73 117.46 116.56 1s4x n PHE 35 Ca -0.03 0.16 0.26 0.00 -1.87 0.00 0.00 57.45 55.98 1s4x n PHE 35 Cb 0.09 -0.60 0.65 0.00 -1.61 0.00 0.00 39.48 38.01 1s4x n PHE 35 CO 0.00 0.00 0.00 1.05 -1.87 0.00 0.00 176.76 175.94 1s4x h GLU 36 N 0.00 0.15 0.00 3.97 4.11 -1.63 0.55 114.58 121.73 1s4x h GLU 36 Ca 0.00 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1s4x h GLU 36 Cb 0.41 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1s4x h GLU 36 CO 0.00 0.10 -0.07 1.49 0.07 0.00 0.00 179.01 180.59 1s4x h GLU 37 N 0.15 0.00 0.27 1.06 4.81 -1.16 0.61 114.58 120.32 1s4x h GLU 37 Ca 0.48 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.70 1s4x h GLU 37 Cb 1.62 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.00 1s4x h GLU 37 CO -0.09 0.07 -0.13 0.93 -0.73 0.00 0.00 179.01 179.07 1s4x h GLU 38 N 0.00 -0.34 -0.65 1.92 3.07 -0.09 -3.25 114.58 115.24 1s4x h GLU 38 Ca -0.00 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1s4x h GLU 38 Cb 0.45 0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 1s4x h GLU 38 CO 0.01 0.01 0.00 0.54 -1.40 0.00 0.00 179.01 178.17 1s4x n ARG 39 N -5.06 2.79 0.00 2.33 1.74 -1.21 -4.78 116.66 112.47 1s4x n ARG 39 Ca -0.09 -2.41 0.00 0.00 -0.77 0.00 0.00 57.85 54.58 1s4x n ARG 39 Cb 0.26 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 1s4x n ARG 39 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s4x n ALA 40 N 1.28 0.00 0.25 7.54 0.00 0.20 -1.02 120.51 128.77 1s4x n ALA 40 Ca 0.22 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.77 1s4x n ALA 40 Cb 0.63 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.99 1s4x n ALA 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1s4x n ARG 41 N 0.00 0.49 0.00 0.00 1.74 -1.26 -4.18 116.66 113.45 1s4x n ARG 41 Ca 0.00 -0.07 0.02 0.00 -0.77 0.00 0.00 57.85 57.03 1s4x n ARG 41 Cb 0.00 -1.59 0.15 0.00 -1.02 0.00 0.00 32.46 29.99 1s4x n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s4x n ALA 42 N -2.06 1.77 -0.01 7.54 0.00 -0.19 0.34 120.51 127.91 1s4x n ALA 42 Ca -0.01 -0.03 0.04 0.00 0.00 0.00 0.00 53.44 53.44 1s4x n ALA 42 Cb 0.51 -1.08 -0.08 0.00 0.00 0.00 0.00 19.45 18.80 1s4x n ALA 42 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1s4x n LYS 43 N -0.81 0.44 -0.57 0.00 2.85 -1.26 -4.66 118.16 114.15 1s4x n LYS 43 Ca 0.04 -0.08 0.00 0.00 -1.05 0.00 0.00 58.31 57.21 1s4x n LYS 43 Cb 0.02 -1.23 -0.00 0.00 -0.65 0.00 0.00 35.03 33.17 1s4x n LYS 43 CO 0.00 0.00 0.00 -2.67 -0.05 0.00 0.00 177.40 174.68 1s4x n TRP 44 N -1.87 0.00 0.00 5.58 4.27 0.06 -5.00 117.44 120.49 1s4x n TRP 44 Ca -0.03 -0.04 0.00 0.00 -3.89 0.00 0.00 57.50 53.54 1s4x n TRP 44 Cb 0.29 0.04 0.00 0.00 -1.36 0.00 0.00 31.31 30.28 1s4x n TRP 44 CO 0.00 0.00 0.00 -0.25 -2.29 0.00 0.00 177.69 175.15 1s4x n ASP 45 N 0.03 0.00 0.00 -0.67 8.00 1.06 -4.93 116.55 120.04 1s4x n ASP 45 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1s4x n ASP 45 Cb 0.67 0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.90 1s4x n ASP 45 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1s4x n THR 46 N -1.58 0.00 -0.09 -3.53 5.66 1.04 -4.19 114.28 111.60 1s4x n THR 46 Ca 0.00 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.87 1s4x n THR 46 Cb 0.00 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 68.70 1s4x n THR 46 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1s4x n ALA 47 N 0.00 1.66 0.00 1.79 0.00 -1.26 -4.68 120.51 118.02 1s4x n ALA 47 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.71 1s4x n ALA 47 Cb 0.00 0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.58 1s4x n ALA 47 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1s4x n ASN 48 N -3.15 0.00 -4.40 0.00 6.94 -1.26 -3.91 115.26 109.48 1s4x n ASN 48 Ca -0.31 0.00 -0.26 0.00 -0.02 0.00 0.00 54.58 53.98 1s4x n ASN 48 Cb 0.81 0.00 -0.12 0.00 -2.36 0.00 0.00 39.78 38.11 1s4x n ASN 48 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1s4x s ASN 49 N -2.93 3.29 0.31 0.53 0.02 -1.26 -4.97 114.94 109.93 1s4x s ASN 49 Ca 0.00 -0.86 0.08 0.00 -1.02 0.00 0.00 52.86 51.06 1s4x s ASN 49 Cb 0.00 -0.23 0.41 0.00 0.02 0.00 0.00 41.25 41.45 1s4x s ASN 49 CO 0.00 0.10 1.06 -2.65 0.02 0.00 0.00 177.10 175.63 1s4x n PRO 50 N 0.32 0.06 -0.33 -0.60 -0.02 -1.25 -0.51 135.00 132.67 1s4x n PRO 50 Ca -0.13 0.51 0.05 0.00 -2.02 0.00 0.00 63.50 61.91 1s4x n PRO 50 Cb 0.56 -2.15 0.12 0.00 -0.02 0.00 0.00 33.50 32.01 1s4x n PRO 50 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1s4x h LEU 51 N 0.00 -0.88 -1.29 2.45 7.12 -1.93 2.75 115.31 123.53 1s4x h LEU 51 Ca 0.00 0.28 0.22 0.00 0.13 0.00 0.00 57.88 58.51 1s4x h LEU 51 Cb 0.94 0.58 -0.09 0.00 -0.53 0.00 0.00 40.66 41.56 1s4x h LEU 51 CO 0.00 -0.31 0.63 0.10 -0.13 0.00 0.00 178.44 178.73 1s4x h TYR 52 N -0.00 0.76 0.00 1.25 -0.00 -0.99 2.81 116.97 120.80 1s4x h TYR 52 Ca 0.44 0.02 -0.04 0.00 0.00 0.00 0.00 58.73 59.16 1s4x h TYR 52 Cb 0.68 -0.23 -0.01 0.00 0.00 0.00 0.00 36.73 37.18 1s4x h TYR 52 CO -0.73 0.14 -0.53 -0.22 -0.00 0.00 0.00 178.16 176.82 1s4x h LYS 53 N 0.52 0.00 0.00 0.10 3.11 0.43 -3.26 116.57 117.47 1s4x h LYS 53 Ca 0.55 0.00 -0.20 0.00 -2.81 0.00 0.00 60.65 58.19 1s4x h LYS 53 Cb 1.21 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.41 1s4x h LYS 53 CO -0.29 0.12 -1.19 0.93 -2.81 0.00 0.00 179.45 176.21 1s4x h GLU 54 N 0.00 0.00 -0.41 1.90 4.39 0.96 -3.27 114.58 118.16 1s4x h GLU 54 Ca -0.02 0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.80 1s4x h GLU 54 Cb 1.13 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.76 1s4x h GLU 54 CO 0.02 0.59 0.32 0.00 -1.16 0.00 0.00 179.01 178.78 1s4x h ALA 55 N 1.20 2.30 0.10 3.43 0.00 0.34 0.44 119.26 127.08 1s4x h ALA 55 Ca -0.12 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.51 1s4x h ALA 55 Cb 1.71 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.53 1s4x h ALA 55 CO 0.08 -0.53 -1.22 1.79 0.00 0.00 0.00 179.25 179.38 1s4x h THR 56 N 0.00 1.52 0.00 0.00 1.35 -1.72 -3.04 112.91 111.03 1s4x h THR 56 Ca 0.19 -3.12 -0.03 0.00 -0.55 0.00 0.00 66.41 62.90 1s4x h THR 56 Cb 0.83 2.92 -0.00 0.00 -1.73 0.00 0.00 68.15 70.17 1s4x h THR 56 CO -0.00 0.90 -0.15 0.28 -0.25 0.00 0.00 175.52 176.30 1s4x h SER 57 N 0.06 0.00 0.23 5.36 0.02 -0.42 -1.56 113.55 117.25 1s4x h SER 57 Ca -0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1s4x h SER 57 Cb 1.94 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.48 1s4x h SER 57 CO 0.19 0.15 0.00 0.41 -1.14 0.00 0.00 176.83 176.44 1s4x n THR 58 N -3.33 1.07 -0.03 -2.27 -1.04 0.11 0.12 114.28 108.92 1s4x n THR 58 Ca 0.00 0.55 -0.17 0.00 -2.04 0.00 0.00 64.05 62.39 1s4x n THR 58 Cb 0.38 -1.52 -0.14 0.00 -1.82 0.00 0.00 70.33 67.23 1s4x n THR 58 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 1s4x h PHE 59 N 0.00 0.21 0.00 -1.42 3.57 -1.41 -3.35 116.94 114.55 1s4x h PHE 59 Ca 0.00 -0.16 -0.12 0.00 3.53 0.00 0.00 57.97 61.23 1s4x h PHE 59 Cb 0.12 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 1s4x h PHE 59 CO 0.00 1.17 -0.82 1.15 -2.23 0.00 0.00 178.31 177.58 1s4x h THR 60 N -0.74 0.66 0.00 4.41 2.02 -1.45 -3.24 112.91 114.57 1s4x h THR 60 Ca -0.09 -2.03 0.00 0.00 0.77 0.00 0.00 66.41 65.07 1s4x h THR 60 Cb 1.28 2.22 0.00 0.00 -1.74 0.00 0.00 68.15 69.92 1s4x h THR 60 CO 0.04 0.38 0.00 -3.20 0.37 0.00 0.00 175.52 173.11 1s4x n ASN 61 N -3.08 0.00 0.01 4.18 5.15 0.32 0.29 115.26 122.14 1s4x n ASN 61 Ca -0.02 0.34 0.11 0.00 -0.60 0.00 0.00 54.58 54.41 1s4x n ASN 61 Cb 0.75 -0.36 -0.07 0.00 -0.53 0.00 0.00 39.78 39.56 1s4x n ASN 61 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1s4x n ILE 62 N -1.36 0.08 0.00 -1.44 5.41 -1.22 -4.26 119.36 116.57 1s4x n ILE 62 Ca 0.01 -0.25 0.00 0.00 1.00 0.00 0.00 62.75 63.51 1s4x n ILE 62 Cb 0.03 0.37 0.00 0.00 -0.71 0.00 0.00 39.64 39.33 1s4x n ILE 62 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1s4x n THR 63 N -1.92 0.00 0.00 1.39 -1.04 0.12 -4.62 114.28 108.20 1s4x n THR 63 Ca 0.01 -0.16 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 1s4x n THR 63 Cb 0.44 0.65 0.00 0.00 -1.82 0.00 0.00 70.33 69.61 1s4x n THR 63 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1s4x n TYR 64 N -1.23 0.00 0.64 -1.42 4.11 0.85 0.14 117.16 120.26 1s4x n TYR 64 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.90 57.99 1s4x n TYR 64 Cb 0.00 -0.29 0.41 0.00 -0.00 0.00 0.00 39.34 39.46 1s4x n TYR 64 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1s4x n ARG 65 N -1.27 0.02 0.00 -3.48 1.74 -1.26 -4.87 116.66 107.54 1s4x n ARG 65 Ca 0.00 0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 1s4x n ARG 65 Cb 0.16 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 1s4x n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s4x n GLY 66 N 0.46 1.59 3.73 -0.13 0.00 0.12 -5.22 105.19 105.74 1s4x n GLY 66 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1s4x n GLY 66 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73