#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 -0.46 0.21 -0.35 5.85 -2.05 0.17 115.31 118.69 1s4x h LEU 22 Ca 0.00 0.04 -0.30 0.00 0.84 0.00 0.00 57.88 58.46 1s4x h LEU 22 Cb 0.00 0.16 0.03 0.00 0.37 0.00 0.00 40.66 41.22 1s4x h LEU 22 CO 0.00 -0.19 -1.34 0.25 -0.34 0.00 0.00 178.44 176.82 1s4x h LEU 23 N -0.28 0.71 -1.17 2.25 5.85 -2.02 -2.71 115.31 117.93 1s4x h LEU 23 Ca -0.01 -0.93 0.01 0.00 0.84 0.00 0.00 57.88 57.79 1s4x h LEU 23 Cb 0.26 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 1s4x h LEU 23 CO -0.05 1.64 0.62 0.40 -0.34 0.00 0.00 178.44 180.71 1s4x h ILE 24 N -0.01 0.01 0.09 4.05 1.08 -1.96 2.71 117.51 123.48 1s4x h ILE 24 Ca -0.24 0.00 -0.37 0.00 -0.39 0.00 0.00 64.86 63.86 1s4x h ILE 24 Cb 2.01 0.39 -0.03 0.00 -3.07 0.00 0.00 36.82 36.12 1s4x h ILE 24 CO 0.22 0.00 -2.10 0.41 -0.69 0.00 0.00 178.15 176.00 1s4x n THR 25 N -2.75 1.71 -0.07 -0.27 -1.04 0.60 -3.80 114.28 108.66 1s4x n THR 25 Ca -0.01 -0.62 -0.10 0.00 -2.04 0.00 0.00 64.05 61.28 1s4x n THR 25 Cb 0.65 -1.67 -0.09 0.00 -1.82 0.00 0.00 70.33 67.41 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 0.03 1.14 -0.72 12.58 5.03 0.18 -1.57 117.51 134.17 1s4x h ILE 26 Ca -0.46 -1.88 0.21 0.00 -0.12 0.00 0.00 64.86 62.61 1s4x h ILE 26 Cb 1.99 2.18 -0.03 0.00 -3.03 0.00 0.00 36.82 37.93 1s4x h ILE 26 CO 0.04 0.39 0.82 -0.74 -0.68 0.00 0.00 178.15 177.98 1s4x h HIS 27 N -1.00 0.00 0.00 1.37 2.76 0.39 0.20 115.15 118.88 1s4x h HIS 27 Ca -0.02 0.00 -0.38 0.00 -2.20 0.00 0.00 60.37 57.77 1s4x h HIS 27 Cb 0.69 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 29.58 1s4x h HIS 27 CO 0.17 0.00 -2.43 -0.25 -1.30 0.00 0.00 177.93 174.12 1s4x n ASP 28 N -3.48 1.25 -0.15 3.26 8.00 -1.24 -4.23 116.55 119.97 1s4x n ASP 28 Ca 0.15 -0.08 0.28 0.00 0.71 0.00 0.00 54.79 55.86 1s4x n ASP 28 Cb 1.07 0.10 0.65 0.00 -0.02 0.00 0.00 41.12 42.91 1s4x n ASP 28 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1s4x h ARG 29 N 0.00 0.00 -0.48 -1.24 9.65 0.46 -1.35 114.38 121.42 1s4x h ARG 29 Ca -0.56 0.00 0.07 0.00 -1.10 0.00 0.00 59.98 58.39 1s4x h ARG 29 Cb 2.03 0.00 -0.10 0.00 -1.39 0.00 0.00 29.97 30.52 1s4x h ARG 29 CO -0.04 0.00 -0.45 -0.22 2.80 0.00 0.00 179.97 182.06 1s4x h LYS 30 N 0.00 -0.29 0.39 0.20 3.64 -1.66 2.45 116.57 121.30 1s4x h LYS 30 Ca 0.42 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.81 1s4x h LYS 30 Cb 2.14 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 34.03 1s4x h LYS 30 CO -0.00 -0.19 -0.22 0.93 -2.27 0.00 0.00 179.45 177.70 1s4x h GLU 31 N -0.30 -0.55 -0.20 1.90 5.08 -1.54 2.10 114.58 121.07 1s4x h GLU 31 Ca 0.14 0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.60 1s4x h GLU 31 Cb 0.58 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1s4x h GLU 31 CO -0.62 -0.37 0.16 0.74 -1.00 0.00 0.00 179.01 177.91 1s4x h PHE 32 N -0.57 0.00 0.00 4.33 0.04 -1.39 0.67 116.94 120.01 1s4x h PHE 32 Ca -0.05 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.65 1s4x h PHE 32 Cb 0.46 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.59 1s4x h PHE 32 CO -0.07 0.00 -0.72 0.00 -0.60 0.00 0.00 178.31 176.91 1s4x h ALA 33 N 1.88 0.70 0.00 2.45 0.00 0.55 -3.19 119.26 121.64 1s4x h ALA 33 Ca 0.10 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1s4x h ALA 33 Cb 0.41 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1s4x h ALA 33 CO -0.00 0.41 -0.27 -0.22 0.00 0.00 0.00 179.25 179.17 1s4x h LYS 34 N 0.00 0.00 0.00 0.00 3.64 0.80 -3.31 116.57 117.70 1s4x h LYS 34 Ca -0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1s4x h LYS 34 Cb 1.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1s4x h LYS 34 CO 0.03 0.00 0.16 0.34 -2.27 0.00 0.00 179.45 177.72 1s4x n PHE 35 N -4.55 0.21 -0.17 1.91 7.35 0.18 -1.37 117.46 121.03 1s4x n PHE 35 Ca -0.04 0.11 0.26 0.00 -0.76 0.00 0.00 57.45 57.02 1s4x n PHE 35 Cb 0.14 -0.54 0.69 0.00 0.35 0.00 0.00 39.48 40.12 1s4x n PHE 35 CO 0.00 0.00 0.00 1.05 -0.76 0.00 0.00 176.76 177.05 1s4x h GLU 36 N 0.00 0.06 -1.72 -4.13 4.11 -1.64 0.08 114.58 111.34 1s4x h GLU 36 Ca 0.00 -0.00 0.50 0.00 0.07 0.00 0.00 59.36 59.92 1s4x h GLU 36 Cb 0.33 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.50 1s4x h GLU 36 CO 0.00 0.04 1.24 1.49 0.07 0.00 0.00 179.01 181.85 1s4x h GLU 37 N 0.06 0.00 0.00 1.06 4.81 -1.46 2.35 114.58 121.40 1s4x h GLU 37 Ca 0.41 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.63 1s4x h GLU 37 Cb 1.54 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.92 1s4x h GLU 37 CO -0.03 0.00 -0.31 1.49 -0.73 0.00 0.00 179.01 179.43 1s4x h GLU 38 N 0.00 0.00 -0.57 1.92 4.81 -1.24 -3.31 114.58 116.19 1s4x h GLU 38 Ca 0.81 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 60.04 1s4x h GLU 38 Cb 3.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 32.67 1s4x h GLU 38 CO -0.01 0.11 0.00 0.54 -0.73 0.00 0.00 179.01 178.92 1s4x n ARG 39 N -4.68 0.64 0.00 1.92 5.12 0.94 -4.22 116.66 116.39 1s4x n ARG 39 Ca -0.06 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.86 1s4x n ARG 39 Cb 0.19 -1.29 0.00 0.00 -1.16 0.00 0.00 32.46 30.20 1s4x n ARG 39 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1s4x n ALA 40 N 0.10 0.47 0.60 7.54 0.00 0.76 0.34 120.51 130.32 1s4x n ALA 40 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1s4x n ALA 40 Cb 0.14 -0.32 0.04 0.00 0.00 0.00 0.00 19.45 19.32 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 -0.50 0.27 -0.28 0.00 3.00 -1.26 -4.22 116.66 113.67 1s4x n ARG 41 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 57.85 57.86 1s4x n ARG 41 Cb 0.00 -1.60 0.15 0.00 0.00 0.00 0.00 32.46 31.02 1s4x n ARG 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1s4x h ALA 42 N 2.57 1.13 0.00 7.54 0.00 0.55 5.14 119.26 136.18 1s4x h ALA 42 Ca 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1s4x h ALA 42 Cb 0.72 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1s4x h ALA 42 CO 0.00 0.11 -0.00 1.57 0.00 0.00 0.00 179.25 180.93 1s4x h LYS 43 N 0.80 0.00 0.00 0.00 2.10 -1.76 -3.23 116.57 114.48 1s4x h LYS 43 Ca 0.38 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 59.02 1s4x h LYS 43 Cb 0.31 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.62 1s4x h LYS 43 CO -0.23 0.00 -0.29 -2.67 -2.00 0.00 0.00 179.45 174.26 1s4x n TRP 44 N -3.37 0.00 0.01 0.07 4.27 0.16 -5.01 117.44 113.58 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 0.08 0.10 0.00 0.00 -1.36 0.00 0.00 31.31 30.13 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 0.02 -0.15 0.00 -0.67 8.00 1.44 -4.90 116.55 120.30 1s4x n ASP 45 Ca -0.01 0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.58 1s4x n ASP 45 Cb 0.63 0.29 0.00 0.00 -0.02 0.00 0.00 41.12 42.02 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 -1.93 0.00 -0.08 -3.53 5.66 1.07 -4.22 114.28 111.25 1s4x n THR 46 Ca 0.00 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.88 1s4x n THR 46 Cb 0.00 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.71 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 1.68 0.00 1.79 0.00 -1.26 -4.65 120.51 118.07 1s4x n ALA 47 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1s4x n ALA 47 Cb 0.00 0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 -3.10 0.00 -4.86 0.00 0.23 -1.26 -4.00 115.26 102.27 1s4x n ASN 48 Ca -0.30 0.00 -0.31 0.00 -0.53 0.00 0.00 54.58 53.44 1s4x n ASN 48 Cb 0.80 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.46 1s4x n ASN 48 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1s4x s ASN 49 N -2.71 6.62 0.06 0.53 3.84 -1.26 -4.87 114.94 117.15 1s4x s ASN 49 Ca 0.00 1.22 0.02 0.00 0.21 0.00 0.00 52.86 54.31 1s4x s ASN 49 Cb 0.00 -2.36 0.09 0.00 -0.55 0.00 0.00 41.25 38.43 1s4x s ASN 49 CO 0.00 -0.35 0.77 -2.65 -2.79 0.00 0.00 177.10 172.07 1s4x n PRO 50 N -1.01 0.01 -0.31 0.43 -0.02 -1.26 -1.83 135.00 131.02 1s4x n PRO 50 Ca 0.03 0.25 0.04 0.00 -2.02 0.00 0.00 63.50 61.81 1s4x n PRO 50 Cb 0.54 -1.88 0.11 0.00 -0.02 0.00 0.00 33.50 32.25 1s4x n PRO 50 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1s4x n LEU 51 N -1.33 -0.34 -0.32 2.45 -0.00 -1.26 0.34 117.00 116.53 1s4x n LEU 51 Ca -0.00 1.47 0.05 0.00 -0.00 0.00 0.00 56.01 57.53 1s4x n LEU 51 Cb 0.34 -0.43 0.21 0.00 -0.00 0.00 0.00 43.42 43.54 1s4x n LEU 51 CO 0.01 -1.40 1.18 0.22 -0.00 0.00 0.00 177.39 177.40 1s4x h TYR 52 N 0.00 0.98 0.00 1.96 3.20 -1.54 3.39 116.97 124.96 1s4x h TYR 52 Ca 0.39 0.03 -0.12 0.00 3.14 0.00 0.00 58.73 62.18 1s4x h TYR 52 Cb 0.61 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 1s4x h TYR 52 CO -0.67 0.38 -0.97 -0.22 -1.64 0.00 0.00 178.16 175.04 1s4x h LYS 53 N 0.87 0.00 0.00 1.82 1.63 0.54 -3.31 116.57 118.11 1s4x h LYS 53 Ca 0.45 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.25 1s4x h LYS 53 Cb 0.45 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.08 1s4x h LYS 53 CO -0.27 0.31 -0.78 0.93 -3.45 0.00 0.00 179.45 176.19 1s4x h GLU 54 N 0.00 0.00 -0.35 1.90 5.08 0.80 -3.32 114.58 118.69 1s4x h GLU 54 Ca -0.08 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.38 1s4x h GLU 54 Cb 1.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.64 1s4x h GLU 54 CO 0.04 0.01 0.60 0.00 -1.00 0.00 0.00 179.01 178.66 1s4x h ALA 55 N 1.99 2.01 0.21 3.43 0.00 0.60 1.03 119.26 128.53 1s4x h ALA 55 Ca -0.00 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.56 1s4x h ALA 55 Cb 1.01 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.85 1s4x h ALA 55 CO 0.00 -0.78 -1.57 1.79 0.00 0.00 0.00 179.25 178.69 1s4x h THR 56 N 0.00 1.11 0.00 0.00 1.35 -1.80 -3.19 112.91 110.38 1s4x h THR 56 Ca 0.17 -2.57 -0.01 0.00 -0.55 0.00 0.00 66.41 63.44 1s4x h THR 56 Cb 1.37 2.90 -0.00 0.00 -1.73 0.00 0.00 68.15 70.68 1s4x h THR 56 CO -0.00 0.82 -0.05 -1.28 -0.25 0.00 0.00 175.52 174.76 1s4x h SER 57 N 0.06 0.00 0.00 5.36 0.87 0.77 -0.49 113.55 120.13 1s4x h SER 57 Ca -0.30 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1s4x h SER 57 Cb 2.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 64.03 1s4x h SER 57 CO 0.21 0.05 0.23 0.74 -0.53 0.00 0.00 176.83 177.52 1s4x h THR 58 N 0.00 0.00 -0.10 2.23 2.02 -0.82 0.25 112.91 116.49 1s4x h THR 58 Ca -0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1s4x h THR 58 Cb 0.23 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1s4x h THR 58 CO 0.01 0.00 -0.04 0.15 0.37 0.00 0.00 175.52 176.01 1s4x h PHE 59 N 0.00 0.24 0.00 3.16 3.57 -1.27 -3.16 116.94 119.48 1s4x h PHE 59 Ca 0.00 -0.06 -0.09 0.00 3.53 0.00 0.00 57.97 61.36 1s4x h PHE 59 Cb 0.45 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1s4x h PHE 59 CO 0.00 0.55 -0.75 1.15 -2.23 0.00 0.00 178.31 177.02 1s4x h THR 60 N -0.14 0.47 0.00 4.41 2.02 -0.94 -3.26 112.91 115.46 1s4x h THR 60 Ca 0.02 -1.74 0.00 0.00 0.77 0.00 0.00 66.41 65.47 1s4x h THR 60 Cb 0.48 2.08 0.00 0.00 -1.74 0.00 0.00 68.15 68.97 1s4x h THR 60 CO 0.01 0.27 0.02 -3.20 0.37 0.00 0.00 175.52 172.99 1s4x n ASN 61 N -3.02 0.00 0.03 4.18 5.15 0.60 0.29 115.26 122.49 1s4x n ASN 61 Ca -0.01 0.36 0.11 0.00 -0.60 0.00 0.00 54.58 54.44 1s4x n ASN 61 Cb 0.70 -0.36 -0.03 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 -1.35 0.17 0.00 -1.44 5.41 -1.23 -4.23 119.36 116.69 1s4x n ILE 62 Ca 0.00 -0.30 0.00 0.00 1.00 0.00 0.00 62.75 63.45 1s4x n ILE 62 Cb 0.02 0.18 0.00 0.00 -0.71 0.00 0.00 39.64 39.13 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 -2.06 0.00 0.03 1.39 -1.04 0.20 -4.63 114.28 108.17 1s4x n THR 63 Ca 0.01 -0.15 0.01 0.00 -2.04 0.00 0.00 64.05 61.88 1s4x n THR 63 Cb 0.47 0.63 0.06 0.00 -1.82 0.00 0.00 70.33 69.67 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 -1.14 0.08 0.64 -1.42 4.11 0.85 -0.86 117.16 119.42 1s4x n TYR 64 Ca 0.00 0.04 0.05 0.00 -0.00 0.00 0.00 57.90 58.00 1s4x n TYR 64 Cb 0.00 -0.40 0.31 0.00 -0.00 0.00 0.00 39.34 39.25 1s4x n TYR 64 CO 0.00 0.00 0.00 2.89 -0.00 0.00 0.00 176.86 179.75 1s4x n ARG 65 N -1.46 0.29 -0.64 -3.48 1.85 -1.26 -4.76 116.66 107.20 1s4x n ARG 65 Ca -0.00 0.05 0.00 0.00 -1.00 0.00 0.00 57.85 56.90 1s4x n ARG 65 Cb 0.18 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.09 1s4x n ARG 65 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1s4x n GLY 66 N -0.33 0.36 3.17 2.89 0.00 -0.04 -5.22 105.19 106.02 1s4x n GLY 66 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1s4x n GLY 66 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73