#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 -1.39 0.15 -0.35 5.85 -2.05 1.62 115.31 119.14 1s4x h LEU 22 Ca 0.00 0.19 -0.34 0.00 0.84 0.00 0.00 57.88 58.58 1s4x h LEU 22 Cb 0.00 0.59 -0.00 0.00 0.37 0.00 0.00 40.66 41.62 1s4x h LEU 22 CO 0.00 -0.24 -1.73 0.25 -0.34 0.00 0.00 178.44 176.38 1s4x h LEU 23 N -0.18 0.50 -2.17 2.25 5.85 -2.03 -1.89 115.31 117.64 1s4x h LEU 23 Ca 0.07 -0.79 0.00 0.00 0.84 0.00 0.00 57.88 58.01 1s4x h LEU 23 Cb 0.37 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1s4x h LEU 23 CO -0.51 1.67 0.22 0.40 -0.34 0.00 0.00 178.44 179.88 1s4x h ILE 24 N 0.09 0.00 0.03 4.05 2.04 -1.91 1.80 117.51 123.60 1s4x h ILE 24 Ca -0.33 0.00 -0.38 0.00 1.00 0.00 0.00 64.86 65.16 1s4x h ILE 24 Cb 2.07 0.72 -0.06 0.00 -0.74 0.00 0.00 36.82 38.81 1s4x h ILE 24 CO 0.16 0.00 -2.31 0.41 0.00 0.00 0.00 178.15 176.41 1s4x n THR 25 N -2.85 1.56 -0.01 -0.27 -1.04 0.55 -3.51 114.28 108.70 1s4x n THR 25 Ca -0.02 -0.64 -0.17 0.00 -2.04 0.00 0.00 64.05 61.18 1s4x n THR 25 Cb 0.27 -1.38 -0.10 0.00 -1.82 0.00 0.00 70.33 67.31 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 0.02 1.40 0.00 12.58 2.04 0.08 0.88 117.51 134.50 1s4x h ILE 26 Ca -0.52 -1.97 0.00 0.00 1.00 0.00 0.00 64.86 63.37 1s4x h ILE 26 Cb 1.98 2.42 0.00 0.00 -0.74 0.00 0.00 36.82 40.48 1s4x h ILE 26 CO -0.02 0.58 0.00 1.57 0.00 0.00 0.00 178.15 180.28 1s4x n HIS 27 N -4.22 0.43 -0.07 1.37 -0.00 0.58 -3.31 115.22 110.00 1s4x n HIS 27 Ca -0.09 0.18 -0.11 0.00 0.46 0.00 0.00 57.72 58.15 1s4x n HIS 27 Cb 0.64 -0.79 -0.05 0.00 -0.12 0.00 0.00 29.99 29.67 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 -1.90 2.19 0.17 0.26 9.92 -1.10 -4.44 116.55 121.66 1s4x n ASP 28 Ca 0.02 0.03 0.07 0.00 -0.53 0.00 0.00 54.79 54.37 1s4x n ASP 28 Cb 0.17 -0.28 0.36 0.00 -0.64 0.00 0.00 41.12 40.73 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 -0.20 0.00 -0.73 -1.24 0.11 0.79 0.13 114.38 113.24 1s4x h ARG 29 Ca -0.31 0.00 0.11 0.00 0.10 0.00 0.00 59.98 59.88 1s4x h ARG 29 Cb 1.39 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 32.39 1s4x h ARG 29 CO -0.11 0.00 0.35 -0.22 0.10 0.00 0.00 179.97 180.09 1s4x h LYS 30 N 0.00 0.56 0.12 0.08 3.64 -1.77 2.80 116.57 122.00 1s4x h LYS 30 Ca 0.00 -0.03 -0.27 0.00 -1.27 0.00 0.00 60.65 59.07 1s4x h LYS 30 Cb 0.64 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1s4x h LYS 30 CO 0.00 0.37 -1.39 0.93 -2.27 0.00 0.00 179.45 177.09 1s4x h GLU 31 N 0.57 0.25 -0.35 1.90 5.08 -1.05 -2.65 114.58 118.33 1s4x h GLU 31 Ca 0.37 -0.43 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1s4x h GLU 31 Cb 0.45 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1s4x h GLU 31 CO -0.31 1.20 0.16 0.35 -1.00 0.00 0.00 179.01 179.42 1s4x h PHE 32 N -0.30 0.48 0.00 4.33 3.57 -1.19 0.44 116.94 124.28 1s4x h PHE 32 Ca -0.30 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.14 1s4x h PHE 32 Cb 1.76 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 40.34 1s4x h PHE 32 CO 0.13 0.36 -0.29 0.00 -2.23 0.00 0.00 178.31 176.28 1s4x h ALA 33 N 1.69 0.83 0.00 2.41 0.00 0.49 -3.14 119.26 121.54 1s4x h ALA 33 Ca 0.13 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1s4x h ALA 33 Cb 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1s4x h ALA 33 CO -0.02 0.36 -0.23 -0.22 0.00 0.00 0.00 179.25 179.14 1s4x h LYS 34 N 0.00 0.00 0.00 0.00 3.11 -0.50 -3.33 116.57 115.85 1s4x h LYS 34 Ca -0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1s4x h LYS 34 Cb 1.16 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.39 1s4x h LYS 34 CO 0.04 0.00 0.20 1.97 -2.81 0.00 0.00 179.45 178.85 1s4x n PHE 35 N -3.96 0.13 -0.35 1.91 -1.74 0.13 -1.04 117.46 112.54 1s4x n PHE 35 Ca -0.03 0.07 0.09 0.00 -0.56 0.00 0.00 57.45 57.01 1s4x n PHE 35 Cb 0.12 -0.43 0.27 0.00 1.52 0.00 0.00 39.48 40.96 1s4x n PHE 35 CO 0.00 0.00 0.00 1.05 -0.56 0.00 0.00 176.76 177.25 1s4x h GLU 36 N 0.00 0.90 -0.22 3.97 4.11 -1.66 0.57 114.58 122.24 1s4x h GLU 36 Ca 0.00 -0.05 0.06 0.00 0.07 0.00 0.00 59.36 59.44 1s4x h GLU 36 Cb 0.40 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1s4x h GLU 36 CO 0.00 0.59 0.22 1.49 0.07 0.00 0.00 179.01 181.38 1s4x h GLU 37 N 0.92 0.00 0.13 1.06 4.57 -1.32 2.48 114.58 122.42 1s4x h GLU 37 Ca 0.51 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.68 1s4x h GLU 37 Cb 0.58 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 1s4x h GLU 37 CO -0.28 0.00 -0.06 0.93 -1.18 0.00 0.00 179.01 178.42 1s4x h GLU 38 N 0.00 -0.16 -0.49 1.92 3.07 -1.09 -3.34 114.58 114.49 1s4x h GLU 38 Ca 0.11 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 1s4x h GLU 38 Cb 0.54 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 1s4x h GLU 38 CO -0.00 0.30 0.00 2.89 -1.40 0.00 0.00 179.01 180.80 1s4x n ARG 39 N -4.87 3.15 0.00 2.33 1.85 -1.05 -4.80 116.66 113.27 1s4x n ARG 39 Ca -0.07 -2.55 0.00 0.00 -1.00 0.00 0.00 57.85 54.23 1s4x n ARG 39 Cb 0.27 -1.61 0.00 0.00 -1.05 0.00 0.00 32.46 30.06 1s4x n ARG 39 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1s4x n ALA 40 N 0.70 0.00 0.40 2.89 0.00 0.83 -0.86 120.51 124.47 1s4x n ALA 40 Ca 0.20 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.75 1s4x n ALA 40 Cb 0.69 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.16 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 0.40 0.00 0.00 1.74 -1.26 -4.12 116.66 113.42 1s4x n ARG 41 Ca 0.00 0.03 0.02 0.00 -0.77 0.00 0.00 57.85 57.13 1s4x n ARG 41 Cb 0.00 -1.66 0.14 0.00 -1.02 0.00 0.00 32.46 29.92 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 -1.96 1.75 -0.01 7.54 0.00 -0.04 0.36 120.51 128.16 1s4x n ALA 42 Ca 0.01 -0.03 0.04 0.00 0.00 0.00 0.00 53.44 53.46 1s4x n ALA 42 Cb 0.48 -1.08 -0.09 0.00 0.00 0.00 0.00 19.45 18.76 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 -0.82 0.62 -0.62 0.00 0.00 -1.26 -4.65 118.16 111.42 1s4x n LYS 43 Ca 0.04 -0.09 0.00 0.00 -0.00 0.00 0.00 58.31 58.25 1s4x n LYS 43 Cb 0.02 -1.28 -0.00 0.00 -0.00 0.00 0.00 35.03 33.77 1s4x n LYS 43 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.40 174.73 1s4x n TRP 44 N -1.98 0.00 0.00 5.58 4.27 0.13 -4.99 117.44 120.45 1s4x n TRP 44 Ca -0.04 -0.07 0.00 0.00 -3.89 0.00 0.00 57.50 53.50 1s4x n TRP 44 Cb 0.38 0.04 0.00 0.00 -1.36 0.00 0.00 31.31 30.38 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 0.05 -0.02 0.00 -0.67 8.00 0.87 -4.92 116.55 119.86 1s4x n ASP 45 Ca -0.01 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1s4x n ASP 45 Cb 0.69 0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.93 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 -1.77 0.00 -0.08 -3.53 5.66 1.14 -4.17 114.28 111.53 1s4x n THR 46 Ca 0.00 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.89 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 1.64 0.00 1.79 0.00 -1.26 -4.63 120.51 118.05 1s4x n ALA 47 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.72 1s4x n ALA 47 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.56 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 -2.96 0.00 -4.52 0.00 6.94 -1.26 -3.73 115.26 109.73 1s4x n ASN 48 Ca -0.29 0.00 -0.30 0.00 -0.02 0.00 0.00 54.58 53.97 1s4x n ASN 48 Cb 0.82 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 38.13 1s4x n ASN 48 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1s4x s ASN 49 N -3.27 4.07 0.00 0.53 2.47 -1.26 -4.95 114.94 112.52 1s4x s ASN 49 Ca 0.00 -0.49 0.00 0.00 0.42 0.00 0.00 52.86 52.79 1s4x s ASN 49 Cb 0.00 -0.65 0.00 0.00 -1.45 0.00 0.00 41.25 39.15 1s4x s ASN 49 CO 0.00 0.18 0.47 -2.65 -3.72 0.00 0.00 177.10 171.38 1s4x n PRO 50 N 0.81 0.00 -0.38 0.43 -0.02 -1.24 -2.19 135.00 132.40 1s4x n PRO 50 Ca -0.15 0.09 -0.04 0.00 -2.02 0.00 0.00 63.50 61.38 1s4x n PRO 50 Cb 0.52 -1.76 -0.01 0.00 -0.02 0.00 0.00 33.50 32.24 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 -0.97 -0.75 -0.30 2.45 -0.00 -1.26 0.28 117.00 116.46 1s4x n LEU 51 Ca 0.00 1.68 0.12 0.00 -0.00 0.00 0.00 56.01 57.81 1s4x n LEU 51 Cb 0.26 -0.33 0.36 0.00 -0.00 0.00 0.00 43.42 43.71 1s4x n LEU 51 CO 0.00 -1.46 1.22 0.10 -0.00 0.00 0.00 177.39 177.25 1s4x h TYR 52 N 0.00 0.89 0.00 1.96 -0.00 -1.64 2.67 116.97 120.86 1s4x h TYR 52 Ca 0.27 0.03 -0.02 0.00 -0.00 0.00 0.00 58.73 59.01 1s4x h TYR 52 Cb 0.51 -0.28 -0.00 0.00 -0.00 0.00 0.00 36.73 36.96 1s4x h TYR 52 CO -0.89 0.30 -0.08 -0.22 -0.00 0.00 0.00 178.16 177.28 1s4x h LYS 53 N 0.73 0.00 0.03 0.10 1.63 0.40 -3.10 116.57 116.36 1s4x h LYS 53 Ca 0.48 0.00 -0.26 0.00 -0.85 0.00 0.00 60.65 60.02 1s4x h LYS 53 Cb 0.76 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.36 1s4x h LYS 53 CO -0.24 0.08 -1.38 0.93 -3.45 0.00 0.00 179.45 175.39 1s4x h GLU 54 N 0.00 0.07 -0.70 1.90 4.39 1.61 -2.99 114.58 118.86 1s4x h GLU 54 Ca -0.00 -0.11 0.08 0.00 0.34 0.00 0.00 59.36 59.66 1s4x h GLU 54 Cb 0.99 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.64 1s4x h GLU 54 CO 0.01 0.87 0.46 0.00 -1.16 0.00 0.00 179.01 179.19 1s4x h ALA 55 N 0.86 1.79 0.05 3.43 0.00 0.31 0.26 119.26 125.95 1s4x h ALA 55 Ca -0.16 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.50 1s4x h ALA 55 Cb 1.92 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.54 1s4x h ALA 55 CO 0.12 0.09 -1.05 1.79 0.00 0.00 0.00 179.25 180.20 1s4x h THR 56 N 0.66 1.54 0.00 0.00 1.35 -1.61 -2.85 112.91 112.01 1s4x h THR 56 Ca 0.31 -2.96 -0.01 0.00 -0.55 0.00 0.00 66.41 63.20 1s4x h THR 56 Cb 0.35 2.74 -0.00 0.00 -1.73 0.00 0.00 68.15 69.51 1s4x h THR 56 CO -0.10 0.86 -0.05 -1.28 -0.25 0.00 0.00 175.52 174.69 1s4x h SER 57 N 0.08 0.00 0.00 5.36 0.87 -0.64 -1.17 113.55 118.05 1s4x h SER 57 Ca -0.07 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1s4x h SER 57 Cb 1.75 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.71 1s4x h SER 57 CO 0.16 0.05 0.27 0.74 -0.53 0.00 0.00 176.83 177.53 1s4x h THR 58 N 0.00 0.00 0.03 2.23 2.02 -0.38 2.28 112.91 119.08 1s4x h THR 58 Ca -0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.11 1s4x h THR 58 Cb 0.29 0.47 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1s4x h THR 58 CO 0.01 0.00 -0.32 0.15 0.37 0.00 0.00 175.52 175.73 1s4x h PHE 59 N 0.00 0.10 0.00 3.16 3.57 -1.40 -3.33 116.94 119.03 1s4x h PHE 59 Ca 0.00 -0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.38 1s4x h PHE 59 Cb 0.55 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 1s4x h PHE 59 CO 0.00 1.12 -0.41 1.15 -2.23 0.00 0.00 178.31 177.95 1s4x h THR 60 N -0.88 0.35 0.00 4.41 2.02 -0.80 -3.20 112.91 114.80 1s4x h THR 60 Ca -0.07 -1.52 0.00 0.00 0.77 0.00 0.00 66.41 65.59 1s4x h THR 60 Cb 1.16 2.10 0.00 0.00 -1.74 0.00 0.00 68.15 69.67 1s4x h THR 60 CO -0.00 0.20 0.06 -3.20 0.37 0.00 0.00 175.52 172.95 1s4x n ASN 61 N -3.08 0.02 -0.01 4.18 2.85 0.74 0.27 115.26 120.23 1s4x n ASN 61 Ca 0.02 0.45 0.10 0.00 -0.11 0.00 0.00 54.58 55.03 1s4x n ASN 61 Cb 0.63 -0.45 -0.15 0.00 1.24 0.00 0.00 39.78 41.05 1s4x n ASN 61 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1s4x n ILE 62 N -1.47 0.02 0.32 -1.44 5.41 -1.21 -4.23 119.36 116.76 1s4x n ILE 62 Ca -0.00 -0.45 0.08 0.00 1.00 0.00 0.00 62.75 63.38 1s4x n ILE 62 Cb 0.07 0.04 -0.12 0.00 -0.71 0.00 0.00 39.64 38.92 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 -2.19 0.00 0.00 1.39 -1.04 0.24 -4.34 114.28 108.33 1s4x n THR 63 Ca -0.04 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.70 1s4x n THR 63 Cb 0.52 0.48 0.00 0.00 -1.82 0.00 0.00 70.33 69.51 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 -1.80 0.00 0.77 -1.42 4.11 0.76 -0.22 117.16 119.35 1s4x n TYR 64 Ca -0.01 0.00 0.08 0.00 -0.00 0.00 0.00 57.90 57.97 1s4x n TYR 64 Cb 0.37 -0.26 0.40 0.00 -0.00 0.00 0.00 39.34 39.85 1s4x n TYR 64 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.86 174.73 1s4x n ARG 65 N -1.25 0.25 0.00 -3.48 3.00 -1.26 -4.86 116.66 109.06 1s4x n ARG 65 Ca 0.00 0.12 0.00 0.00 -0.00 0.00 0.00 57.85 57.97 1s4x n ARG 65 Cb 0.22 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.18 1s4x n ARG 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1s4x n GLY 66 N 0.03 0.28 0.00 5.14 0.00 0.69 -5.23 105.19 106.10 1s4x n GLY 66 Ca 0.08 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.66 1s4x n GLY 66 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73