#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 -1.18 0.18 -0.35 5.85 -2.05 0.95 115.31 118.70 1s4x h LEU 22 Ca 0.00 0.16 -0.35 0.00 0.84 0.00 0.00 57.88 58.53 1s4x h LEU 22 Cb 0.00 0.49 0.01 0.00 0.37 0.00 0.00 40.66 41.53 1s4x h LEU 22 CO 0.00 -0.22 -1.74 0.25 -0.34 0.00 0.00 178.44 176.38 1s4x h LEU 23 N -0.19 0.59 -1.58 2.25 5.85 -2.02 -2.83 115.31 117.38 1s4x h LEU 23 Ca 0.06 -0.94 0.00 0.00 0.84 0.00 0.00 57.88 57.84 1s4x h LEU 23 Cb 0.34 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.18 1s4x h LEU 23 CO -0.41 1.78 0.45 0.40 -0.34 0.00 0.00 178.44 180.33 1s4x h ILE 24 N 0.07 0.00 0.12 4.05 2.04 -1.92 2.60 117.51 124.47 1s4x h ILE 24 Ca -0.35 0.00 -0.36 0.00 1.00 0.00 0.00 64.86 65.16 1s4x h ILE 24 Cb 2.07 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 38.66 1s4x h ILE 24 CO 0.16 0.00 -1.95 0.41 0.00 0.00 0.00 178.15 176.78 1s4x n THR 25 N -2.77 1.77 -0.06 -0.27 -1.04 0.33 -3.56 114.28 108.69 1s4x n THR 25 Ca -0.02 -0.62 -0.09 0.00 -2.04 0.00 0.00 64.05 61.29 1s4x n THR 25 Cb 0.49 -1.76 -0.08 0.00 -1.82 0.00 0.00 70.33 67.16 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 0.00 1.14 0.00 12.58 5.03 0.11 0.79 117.51 137.16 1s4x h ILE 26 Ca -0.42 -1.82 0.00 0.00 -0.12 0.00 0.00 64.86 62.50 1s4x h ILE 26 Cb 1.99 2.14 0.00 0.00 -3.03 0.00 0.00 36.82 37.92 1s4x h ILE 26 CO 0.07 0.38 0.22 1.57 -0.68 0.00 0.00 178.15 179.71 1s4x n HIS 27 N -4.69 0.24 0.00 1.37 -0.00 0.79 -2.07 115.22 110.87 1s4x n HIS 27 Ca -0.07 0.12 0.00 0.00 0.46 0.00 0.00 57.72 58.24 1s4x n HIS 27 Cb 0.31 -0.52 0.00 0.00 -0.12 0.00 0.00 29.99 29.66 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 -1.70 3.83 0.18 0.26 9.92 -1.21 -4.60 116.55 123.24 1s4x n ASP 28 Ca -0.00 0.00 0.06 0.00 -0.53 0.00 0.00 54.79 54.31 1s4x n ASP 28 Cb 0.23 0.00 0.30 0.00 -0.64 0.00 0.00 41.12 41.01 1s4x n ASP 28 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 1s4x h ARG 29 N 0.00 0.00 -0.61 -1.24 2.43 0.12 -0.24 114.38 114.84 1s4x h ARG 29 Ca 0.00 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.29 1s4x h ARG 29 Cb 0.99 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 30.45 1s4x h ARG 29 CO 0.00 0.00 0.09 -0.22 -1.51 0.00 0.00 179.97 178.33 1s4x h LYS 30 N 0.00 0.20 0.07 0.20 3.64 -1.75 1.56 116.57 120.49 1s4x h LYS 30 Ca 0.00 -0.01 -0.28 0.00 -1.27 0.00 0.00 60.65 59.08 1s4x h LYS 30 Cb 0.84 -0.05 0.03 0.00 -0.41 0.00 0.00 32.23 32.64 1s4x h LYS 30 CO 0.00 0.14 -1.15 0.93 -2.27 0.00 0.00 179.45 177.09 1s4x h GLU 31 N 0.21 0.66 -0.79 1.90 4.39 -1.38 -2.09 114.58 117.49 1s4x h GLU 31 Ca 0.32 -0.80 0.06 0.00 0.34 0.00 0.00 59.36 59.27 1s4x h GLU 31 Cb 0.50 0.25 -0.05 0.00 -0.10 0.00 0.00 28.75 29.35 1s4x h GLU 31 CO -0.44 1.36 0.52 0.35 -1.16 0.00 0.00 179.01 179.64 1s4x h PHE 32 N 0.33 0.89 0.00 4.33 3.57 -1.14 0.55 116.94 125.46 1s4x h PHE 32 Ca -0.16 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.32 1s4x h PHE 32 Cb 1.82 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 40.26 1s4x h PHE 32 CO 0.11 0.48 -0.17 0.00 -2.23 0.00 0.00 178.31 176.50 1s4x h ALA 33 N 1.56 0.92 0.00 2.41 0.00 0.22 -3.03 119.26 121.34 1s4x h ALA 33 Ca 0.33 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1s4x h ALA 33 Cb 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1s4x h ALA 33 CO -0.11 0.21 -0.22 -0.22 0.00 0.00 0.00 179.25 178.91 1s4x h LYS 34 N 0.00 0.00 0.00 0.00 3.11 0.18 -3.32 116.57 116.54 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 0.99 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.22 1s4x h LYS 34 CO 0.02 0.00 0.22 1.19 -2.81 0.00 0.00 179.45 178.08 1s4x n PHE 35 N -4.09 0.19 -0.30 1.91 3.01 0.16 -1.35 117.46 116.99 1s4x n PHE 35 Ca -0.03 0.10 0.07 0.00 1.01 0.00 0.00 57.45 58.60 1s4x n PHE 35 Cb 0.12 -0.47 0.22 0.00 -0.01 0.00 0.00 39.48 39.34 1s4x n PHE 35 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 1s4x h GLU 36 N 0.00 0.61 -0.39 -1.08 4.11 -1.63 0.48 114.58 116.69 1s4x h GLU 36 Ca 0.00 -0.04 0.11 0.00 0.07 0.00 0.00 59.36 59.51 1s4x h GLU 36 Cb 0.45 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1s4x h GLU 36 CO 0.00 0.41 0.29 1.49 0.07 0.00 0.00 179.01 181.26 1s4x h GLU 37 N 0.63 0.00 0.60 1.06 4.22 -1.45 2.36 114.58 122.00 1s4x h GLU 37 Ca 0.46 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.87 1s4x h GLU 37 Cb 0.64 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.89 1s4x h GLU 37 CO -0.36 0.00 -0.29 0.93 -2.18 0.00 0.00 179.01 177.11 1s4x h GLU 38 N 0.00 -0.78 -0.41 1.92 5.08 -1.10 -3.33 114.58 115.95 1s4x h GLU 38 Ca 0.18 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1s4x h GLU 38 Cb 0.76 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1s4x h GLU 38 CO -0.00 -0.49 0.00 2.89 -1.00 0.00 0.00 179.01 180.41 1s4x n ARG 39 N -5.33 3.11 0.00 2.33 1.85 -1.10 -4.82 116.66 112.71 1s4x n ARG 39 Ca -0.11 -2.52 0.00 0.00 -1.00 0.00 0.00 57.85 54.22 1s4x n ARG 39 Cb 0.34 -1.61 0.00 0.00 -1.05 0.00 0.00 32.46 30.14 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 0.41 0.00 0.46 2.89 0.00 0.79 -1.40 120.51 123.66 1s4x n ALA 40 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.74 1s4x n ALA 40 Cb 0.69 0.00 0.02 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 0.36 -0.29 0.00 1.74 -1.26 -4.21 116.66 113.00 1s4x n ARG 41 Ca 0.00 0.01 0.03 0.00 -0.77 0.00 0.00 57.85 57.11 1s4x n ARG 41 Cb 0.00 -1.63 0.16 0.00 -1.02 0.00 0.00 32.46 29.97 1s4x n ARG 41 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1s4x h ALA 42 N 2.42 1.16 0.00 7.54 0.00 -1.51 4.97 119.26 133.84 1s4x h ALA 42 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1s4x h ALA 42 Cb 0.79 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1s4x h ALA 42 CO 0.00 0.10 -0.03 1.57 0.00 0.00 0.00 179.25 180.89 1s4x h LYS 43 N 0.79 0.00 0.00 0.00 2.10 -1.86 -3.26 116.57 114.34 1s4x h LYS 43 Ca 0.39 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 59.03 1s4x h LYS 43 Cb 0.35 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.66 1s4x h LYS 43 CO -0.24 0.03 -0.34 -2.67 -2.00 0.00 0.00 179.45 174.23 1s4x n TRP 44 N -3.55 0.00 0.00 0.07 4.27 0.10 -5.00 117.44 113.33 1s4x n TRP 44 Ca -0.03 -0.02 0.00 0.00 -3.89 0.00 0.00 57.50 53.56 1s4x n TRP 44 Cb 0.13 0.06 0.00 0.00 -1.36 0.00 0.00 31.31 30.14 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 0.01 0.00 0.00 -0.67 8.00 1.40 -4.92 116.55 120.37 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 0.64 0.18 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 -1.82 0.00 -0.08 -3.53 5.66 1.02 -4.34 114.28 111.19 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 -0.07 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 1.71 0.00 1.79 0.00 -1.26 -4.70 120.51 118.05 1s4x n ALA 47 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1s4x n ALA 47 Cb 0.00 0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.62 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 -3.19 0.00 -4.80 0.00 0.23 -1.26 -4.12 115.26 102.11 1s4x n ASN 48 Ca -0.30 0.00 -0.33 0.00 -0.53 0.00 0.00 54.58 53.42 1s4x n ASN 48 Cb 0.79 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.47 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 -0.03 6.21 0.00 0.53 3.84 -1.26 -4.83 114.94 119.40 1s4x s ASN 49 Ca 0.00 1.85 0.00 0.00 0.21 0.00 0.00 52.86 54.92 1s4x s ASN 49 Cb 0.00 -2.55 0.00 0.00 -0.55 0.00 0.00 41.25 38.15 1s4x s ASN 49 CO 0.00 -0.87 0.60 -2.65 -2.79 0.00 0.00 177.10 171.39 1s4x n PRO 50 N -1.36 0.00 -0.30 0.43 -0.02 -1.26 -1.66 135.00 130.83 1s4x n PRO 50 Ca 0.09 0.17 0.02 0.00 -2.02 0.00 0.00 63.50 61.76 1s4x n PRO 50 Cb 0.53 -1.72 0.10 0.00 -0.02 0.00 0.00 33.50 32.38 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 -0.86 -1.24 2.45 7.12 -1.88 2.75 115.31 123.66 1s4x h LEU 51 Ca 0.00 0.26 0.18 0.00 0.13 0.00 0.00 57.88 58.45 1s4x h LEU 51 Cb 0.44 0.54 -0.08 0.00 -0.53 0.00 0.00 40.66 41.03 1s4x h LEU 51 CO 0.00 -0.28 0.60 0.10 -0.13 0.00 0.00 178.44 178.73 1s4x h TYR 52 N -0.01 0.84 0.00 1.25 -0.00 -1.53 2.25 116.97 119.77 1s4x h TYR 52 Ca 0.39 0.03 -0.01 0.00 0.00 0.00 0.00 58.73 59.14 1s4x h TYR 52 Cb 0.61 -0.26 -0.00 0.00 0.00 0.00 0.00 36.73 37.08 1s4x h TYR 52 CO -0.68 0.24 -0.33 -0.22 -0.00 0.00 0.00 178.16 177.17 1s4x h LYS 53 N 0.65 0.00 0.18 0.10 1.63 0.39 -3.23 116.57 116.28 1s4x h LYS 53 Ca 0.51 0.00 -0.30 0.00 -0.85 0.00 0.00 60.65 60.01 1s4x h LYS 53 Cb 0.93 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 32.58 1s4x h LYS 53 CO -0.27 0.02 -1.33 0.93 -3.45 0.00 0.00 179.45 175.36 1s4x h GLU 54 N 0.00 0.39 -0.40 1.90 4.39 1.38 -2.95 114.58 119.30 1s4x h GLU 54 Ca -0.00 -0.65 0.08 0.00 0.34 0.00 0.00 59.36 59.12 1s4x h GLU 54 Cb 1.02 0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 29.89 1s4x h GLU 54 CO 0.00 1.31 0.27 0.00 -1.16 0.00 0.00 179.01 179.44 1s4x h ALA 55 N 0.41 2.12 0.00 3.43 0.00 0.17 0.31 119.26 125.71 1s4x h ALA 55 Ca -0.18 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.53 1s4x h ALA 55 Cb 2.04 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.78 1s4x h ALA 55 CO 0.23 -0.21 -0.86 1.79 0.00 0.00 0.00 179.25 180.21 1s4x h THR 56 N 0.20 1.54 0.00 0.00 1.35 -1.60 -2.66 112.91 111.74 1s4x h THR 56 Ca 0.18 -2.73 -0.01 0.00 -0.55 0.00 0.00 66.41 63.31 1s4x h THR 56 Cb 0.46 2.50 -0.00 0.00 -1.73 0.00 0.00 68.15 69.39 1s4x h THR 56 CO -0.03 0.79 -0.03 0.28 -0.25 0.00 0.00 175.52 176.28 1s4x h SER 57 N 0.06 0.00 0.00 5.36 0.02 -0.23 -1.12 113.55 117.63 1s4x h SER 57 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1s4x h SER 57 Cb 1.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.03 1s4x h SER 57 CO 0.12 0.03 0.38 0.74 -1.14 0.00 0.00 176.83 176.97 1s4x h THR 58 N 0.00 0.00 0.05 -2.27 2.02 -0.98 0.53 112.91 112.26 1s4x h THR 58 Ca -0.00 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.10 1s4x h THR 58 Cb 0.19 0.46 0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1s4x h THR 58 CO 0.00 0.00 -0.33 0.15 0.37 0.00 0.00 175.52 175.71 1s4x h PHE 59 N 0.00 0.24 0.00 3.16 3.04 -1.41 -3.25 116.94 118.72 1s4x h PHE 59 Ca 0.00 -0.17 -0.03 0.00 3.98 0.00 0.00 57.97 61.75 1s4x h PHE 59 Cb 0.77 -0.01 -0.00 0.00 2.56 0.00 0.00 35.95 39.26 1s4x h PHE 59 CO 0.00 1.10 -0.15 1.15 -2.02 0.00 0.00 178.31 178.39 1s4x h THR 60 N -0.68 0.42 0.00 4.41 2.02 -0.24 -2.82 112.91 116.02 1s4x h THR 60 Ca -0.06 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 66.29 1s4x h THR 60 Cb 1.23 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 69.24 1s4x h THR 60 CO 0.06 0.15 0.12 -3.20 0.37 0.00 0.00 175.52 173.02 1s4x n ASN 61 N -3.37 0.00 -0.02 4.18 5.15 0.30 0.28 115.26 121.78 1s4x n ASN 61 Ca -0.00 0.34 0.03 0.00 -0.60 0.00 0.00 54.58 54.35 1s4x n ASN 61 Cb 0.35 -0.34 -0.10 0.00 -0.53 0.00 0.00 39.78 39.17 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 -1.33 0.23 0.60 -1.44 5.41 -1.06 -4.33 119.36 117.44 1s4x n ILE 62 Ca 0.00 -0.36 0.11 0.00 1.00 0.00 0.00 62.75 63.50 1s4x n ILE 62 Cb 0.12 -0.04 -0.11 0.00 -0.71 0.00 0.00 39.64 38.90 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 -2.09 0.03 0.00 1.39 -1.04 0.22 -4.26 114.28 108.53 1s4x n THR 63 Ca -0.07 -0.21 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 1s4x n THR 63 Cb 0.49 0.53 0.00 0.00 -1.82 0.00 0.00 70.33 69.53 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 -1.83 0.00 0.26 -1.42 4.11 0.78 -0.86 117.16 118.21 1s4x n TYR 64 Ca 0.01 0.00 0.13 0.00 -0.00 0.00 0.00 57.90 58.04 1s4x n TYR 64 Cb 0.43 -0.18 0.65 0.00 -0.00 0.00 0.00 39.34 40.24 1s4x n TYR 64 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1s4x h ARG 65 N 0.00 0.00 -6.56 -3.48 3.08 -1.82 -3.45 114.38 102.15 1s4x h ARG 65 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 1s4x h ARG 65 Cb 0.39 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.34 1s4x h ARG 65 CO 0.00 0.00 -0.85 0.41 -1.07 0.00 0.00 179.97 178.46 1s4x n GLY 66 N -0.81 -0.33 3.24 0.04 0.00 -0.04 -5.23 105.19 102.05 1s4x n GLY 66 Ca -0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1s4x n GLY 66 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73