#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 -1.35 0.14 -0.35 5.85 -2.04 1.62 115.31 119.17 1s4x h LEU 22 Ca 0.00 0.19 -0.33 0.00 0.84 0.00 0.00 57.88 58.58 1s4x h LEU 22 Cb 0.00 0.57 -0.00 0.00 0.37 0.00 0.00 40.66 41.59 1s4x h LEU 22 CO 0.00 -0.24 -1.68 0.25 -0.34 0.00 0.00 178.44 176.43 1s4x h LEU 23 N -0.19 0.47 -2.15 2.25 6.46 -2.03 -1.42 115.31 118.71 1s4x h LEU 23 Ca 0.07 -0.72 0.00 0.00 -0.12 0.00 0.00 57.88 57.11 1s4x h LEU 23 Cb 0.37 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 40.15 1s4x h LEU 23 CO -0.48 1.61 0.17 0.40 -0.62 0.00 0.00 178.44 179.51 1s4x h ILE 24 N 0.08 0.00 0.01 4.05 2.04 -1.92 0.95 117.51 122.72 1s4x h ILE 24 Ca -0.30 0.00 -0.39 0.00 1.00 0.00 0.00 64.86 65.16 1s4x h ILE 24 Cb 2.05 0.72 -0.07 0.00 -0.74 0.00 0.00 36.82 38.78 1s4x h ILE 24 CO 0.16 0.00 -2.45 0.41 0.00 0.00 0.00 178.15 176.27 1s4x n THR 25 N -2.77 1.51 -0.04 -0.27 -1.04 0.55 -3.69 114.28 108.53 1s4x n THR 25 Ca -0.02 -0.56 -0.13 0.00 -2.04 0.00 0.00 64.05 61.30 1s4x n THR 25 Cb 0.22 -1.48 -0.08 0.00 -1.82 0.00 0.00 70.33 67.17 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 -0.07 1.36 0.00 12.58 2.04 -0.00 1.77 117.51 135.18 1s4x h ILE 26 Ca -0.58 -1.21 0.00 0.00 1.00 0.00 0.00 64.86 64.07 1s4x h ILE 26 Cb 1.89 2.00 0.00 0.00 -0.74 0.00 0.00 36.82 39.96 1s4x h ILE 26 CO -0.10 0.34 0.00 1.57 0.00 0.00 0.00 178.15 179.95 1s4x n HIS 27 N -4.70 0.45 -0.08 1.37 -0.00 0.31 -2.92 115.22 109.66 1s4x n HIS 27 Ca -0.07 0.21 -0.12 0.00 0.46 0.00 0.00 57.72 58.19 1s4x n HIS 27 Cb 0.30 -0.84 -0.06 0.00 -0.12 0.00 0.00 29.99 29.28 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 -1.94 2.29 0.16 0.26 9.92 -0.89 -4.40 116.55 121.96 1s4x n ASP 28 Ca 0.01 0.01 0.05 0.00 -0.53 0.00 0.00 54.79 54.33 1s4x n ASP 28 Cb 0.10 -0.31 0.29 0.00 -0.64 0.00 0.00 41.12 40.56 1s4x n ASP 28 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 1s4x n ARG 29 N -3.18 0.08 -0.00 -1.24 1.85 0.60 -1.03 116.66 113.73 1s4x n ARG 29 Ca -0.28 0.55 -0.10 0.00 -1.00 0.00 0.00 57.85 57.02 1s4x n ARG 29 Cb 0.76 -2.13 -0.03 0.00 -1.05 0.00 0.00 32.46 30.01 1s4x n ARG 29 CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 177.63 177.40 1s4x h LYS 30 N 0.00 -0.33 0.21 2.89 3.64 -1.75 2.88 116.57 124.11 1s4x h LYS 30 Ca 0.00 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1s4x h LYS 30 Cb 0.77 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 1s4x h LYS 30 CO 0.00 -0.22 -0.10 0.93 -2.27 0.00 0.00 179.45 177.79 1s4x h GLU 31 N -0.34 -0.27 0.01 1.90 5.08 -1.39 0.30 114.58 119.87 1s4x h GLU 31 Ca 0.10 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1s4x h GLU 31 Cb 0.49 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.75 1s4x h GLU 31 CO -0.33 -0.09 -0.31 0.35 -1.00 0.00 0.00 179.01 177.64 1s4x h PHE 32 N -0.39 -0.84 -0.07 4.33 3.04 -1.41 1.30 116.94 122.90 1s4x h PHE 32 Ca -0.03 0.03 0.02 0.00 3.98 0.00 0.00 57.97 61.97 1s4x h PHE 32 Cb 0.30 0.37 -0.00 0.00 2.56 0.00 0.00 35.95 39.18 1s4x h PHE 32 CO -0.03 -0.40 0.11 0.00 -2.02 0.00 0.00 178.31 175.97 1s4x h ALA 33 N 0.27 1.48 0.00 2.41 0.00 0.53 -0.55 119.26 123.41 1s4x h ALA 33 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1s4x h ALA 33 Cb 0.55 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1s4x h ALA 33 CO -0.25 -0.15 -0.22 -0.22 0.00 0.00 0.00 179.25 178.41 1s4x h LYS 34 N 0.00 0.00 0.00 0.00 3.64 0.38 -3.31 116.57 117.28 1s4x h LYS 34 Ca 0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1s4x h LYS 34 Cb 0.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1s4x h LYS 34 CO -0.00 0.00 0.21 1.19 -2.27 0.00 0.00 179.45 178.58 1s4x n PHE 35 N -4.16 0.18 -0.26 1.91 3.01 0.40 -1.43 117.46 117.12 1s4x n PHE 35 Ca -0.03 0.10 0.06 0.00 1.01 0.00 0.00 57.45 58.58 1s4x n PHE 35 Cb 0.12 -0.48 0.19 0.00 -0.01 0.00 0.00 39.48 39.30 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 0.41 -0.91 -1.08 4.11 -1.18 0.58 114.58 116.49 1s4x h GLU 36 Ca 0.00 -0.02 0.20 0.00 0.07 0.00 0.00 59.36 59.61 1s4x h GLU 36 Cb 0.42 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.51 1s4x h GLU 36 CO 0.00 0.27 0.60 1.49 0.07 0.00 0.00 179.01 181.44 1s4x h GLU 37 N 0.42 0.43 0.90 1.06 4.81 -1.47 3.35 114.58 124.08 1s4x h GLU 37 Ca 0.42 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.58 1s4x h GLU 37 Cb 0.66 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1s4x h GLU 37 CO -0.42 0.28 -0.48 0.93 -0.73 0.00 0.00 179.01 178.59 1s4x h GLU 38 N 0.44 -1.22 -0.31 1.92 5.08 -1.09 -3.28 114.58 116.13 1s4x h GLU 38 Ca 0.48 0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.92 1s4x h GLU 38 Cb 1.15 0.28 0.00 0.00 0.50 0.00 0.00 28.75 30.68 1s4x h GLU 38 CO -0.19 -0.81 0.00 2.89 -1.00 0.00 0.00 179.01 179.89 1s4x n ARG 39 N -5.53 2.93 0.00 2.33 1.85 -1.03 -4.82 116.66 112.39 1s4x n ARG 39 Ca -0.16 -2.47 0.00 0.00 -1.00 0.00 0.00 57.85 54.23 1s4x n ARG 39 Cb 0.51 -1.57 0.00 0.00 -1.05 0.00 0.00 32.46 30.34 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 0.00 0.00 0.32 2.89 0.00 1.11 -1.27 120.51 123.56 1s4x n ALA 40 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.72 1s4x n ALA 40 Cb 0.67 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.10 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 0.46 -0.29 0.00 1.74 -1.26 -4.22 116.66 113.09 1s4x n ARG 41 Ca 0.00 -0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.10 1s4x n ARG 41 Cb 0.00 -1.65 0.16 0.00 -1.02 0.00 0.00 32.46 29.95 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 2.27 1.15 0.00 7.54 0.00 -1.46 5.62 119.26 134.38 1s4x h ALA 42 Ca 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1s4x h ALA 42 Cb 0.86 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1s4x h ALA 42 CO 0.00 0.10 -0.02 1.57 0.00 0.00 0.00 179.25 180.90 1s4x h LYS 43 N 0.79 0.00 0.00 0.00 2.10 -1.85 -3.25 116.57 114.35 1s4x h LYS 43 Ca 0.39 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.04 1s4x h LYS 43 Cb 0.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 1s4x h LYS 43 CO -0.24 0.02 -0.29 -2.67 -2.00 0.00 0.00 179.45 174.27 1s4x n TRP 44 N -3.47 0.00 0.00 0.07 4.27 0.19 -5.00 117.44 113.49 1s4x n TRP 44 Ca -0.03 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.58 1s4x n TRP 44 Cb 0.12 0.07 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 0.00 0.00 0.00 -0.67 8.00 1.61 -4.92 116.55 120.57 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 0.62 0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.91 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 -1.86 0.00 -0.08 -3.53 5.66 1.00 -4.32 114.28 111.15 1s4x n THR 46 Ca 0.00 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.86 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 1.73 0.00 1.79 0.00 -1.26 -4.69 120.51 118.07 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 0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.63 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 -3.24 0.00 -4.83 0.00 0.23 -1.26 -4.08 115.26 102.08 1s4x n ASN 48 Ca -0.31 0.00 -0.32 0.00 -0.53 0.00 0.00 54.58 53.42 1s4x n ASN 48 Cb 0.79 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.45 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 -0.75 6.51 0.01 0.53 3.04 -1.26 -4.84 114.94 118.18 1s4x s ASN 49 Ca 0.00 1.65 0.00 0.00 0.04 0.00 0.00 52.86 54.56 1s4x s ASN 49 Cb 0.00 -2.52 0.02 0.00 -1.54 0.00 0.00 41.25 37.21 1s4x s ASN 49 CO 0.00 -0.66 0.72 -2.65 -3.04 0.00 0.00 177.10 171.47 1s4x n PRO 50 N -1.47 0.00 -0.34 0.43 -0.02 -1.26 -1.61 135.00 130.73 1s4x n PRO 50 Ca 0.07 0.22 0.04 0.00 -2.02 0.00 0.00 63.50 61.81 1s4x n PRO 50 Cb 0.54 -1.80 0.11 0.00 -0.02 0.00 0.00 33.50 32.33 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 -0.97 -1.35 2.45 7.12 -1.88 2.90 115.31 123.58 1s4x h LEU 51 Ca 0.00 0.29 0.21 0.00 0.13 0.00 0.00 57.88 58.51 1s4x h LEU 51 Cb 0.59 0.61 -0.08 0.00 -0.53 0.00 0.00 40.66 41.25 1s4x h LEU 51 CO 0.00 -0.31 0.62 0.10 -0.13 0.00 0.00 178.44 178.72 1s4x h TYR 52 N -0.00 0.71 0.00 1.25 -0.00 -1.51 2.80 116.97 120.22 1s4x h TYR 52 Ca 0.44 0.02 -0.04 0.00 0.00 0.00 0.00 58.73 59.15 1s4x h TYR 52 Cb 0.68 -0.21 -0.01 0.00 0.00 0.00 0.00 36.73 37.19 1s4x h TYR 52 CO -0.75 0.16 -0.51 -0.22 -0.00 0.00 0.00 178.16 176.84 1s4x h LYS 53 N 0.51 0.00 0.00 0.10 3.11 0.46 -3.25 116.57 117.50 1s4x h LYS 53 Ca 0.52 0.00 -0.17 0.00 -2.81 0.00 0.00 60.65 58.19 1s4x h LYS 53 Cb 1.14 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.35 1s4x h LYS 53 CO -0.25 0.14 -1.10 0.93 -2.81 0.00 0.00 179.45 176.36 1s4x h GLU 54 N 0.00 0.00 -0.66 1.90 5.08 1.02 -2.94 114.58 118.98 1s4x h GLU 54 Ca -0.02 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.43 1s4x h GLU 54 Cb 1.14 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.35 1s4x h GLU 54 CO 0.02 0.48 0.44 0.00 -1.00 0.00 0.00 179.01 178.94 1s4x h ALA 55 N 1.34 1.91 0.03 3.43 0.00 0.36 1.10 119.26 127.42 1s4x h ALA 55 Ca -0.10 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.65 1s4x h ALA 55 Cb 1.59 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 1s4x h ALA 55 CO 0.07 -0.04 -0.78 1.79 0.00 0.00 0.00 179.25 180.29 1s4x h THR 56 N 0.54 1.31 -0.06 0.00 1.35 -1.70 -3.22 112.91 111.13 1s4x h THR 56 Ca 0.30 -2.30 0.02 0.00 -0.55 0.00 0.00 66.41 63.87 1s4x h THR 56 Cb 0.47 2.82 -0.00 0.00 -1.73 0.00 0.00 68.15 69.71 1s4x h THR 56 CO -0.10 0.52 0.23 0.28 -0.25 0.00 0.00 175.52 176.21 1s4x h SER 57 N -0.84 0.00 0.00 5.36 0.02 -1.23 0.12 113.55 116.98 1s4x h SER 57 Ca -0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1s4x h SER 57 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 1s4x h SER 57 CO -0.06 0.00 0.33 0.41 -1.14 0.00 0.00 176.83 176.37 1s4x n THR 58 N -3.14 0.65 -0.11 -2.27 -1.04 0.37 0.31 114.28 109.06 1s4x n THR 58 Ca -0.01 0.69 -0.24 0.00 -2.04 0.00 0.00 64.05 62.45 1s4x n THR 58 Cb 0.31 -1.69 -0.11 0.00 -1.82 0.00 0.00 70.33 67.01 1s4x n THR 58 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 1s4x n PHE 59 N -1.85 0.73 0.08 -1.42 -0.00 0.42 -4.42 117.46 111.00 1s4x n PHE 59 Ca -0.01 0.30 0.02 0.00 -0.00 0.00 0.00 57.45 57.77 1s4x n PHE 59 Cb 0.34 -1.08 -0.03 0.00 -0.00 0.00 0.00 39.48 38.72 1s4x n PHE 59 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 1s4x h THR 60 N -0.90 0.53 0.00 -2.13 2.02 -0.85 -3.29 112.91 108.29 1s4x h THR 60 Ca -0.46 -1.91 0.00 0.00 0.77 0.00 0.00 66.41 64.81 1s4x h THR 60 Cb 1.46 2.08 0.00 0.00 -1.74 0.00 0.00 68.15 69.95 1s4x h THR 60 CO -0.25 0.30 0.03 -3.20 0.37 0.00 0.00 175.52 172.77 1s4x n ASN 61 N -2.97 0.00 0.03 4.18 5.15 0.93 0.28 115.26 122.86 1s4x n ASN 61 Ca -0.04 0.35 0.11 0.00 -0.60 0.00 0.00 54.58 54.40 1s4x n ASN 61 Cb 0.76 -0.35 -0.02 0.00 -0.53 0.00 0.00 39.78 39.64 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 -1.34 0.17 0.00 -1.44 5.41 -1.24 -4.22 119.36 116.70 1s4x n ILE 62 Ca 0.00 -0.29 0.00 0.00 1.00 0.00 0.00 62.75 63.46 1s4x n ILE 62 Cb 0.03 0.18 0.00 0.00 -0.71 0.00 0.00 39.64 39.14 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 -2.04 0.00 0.12 1.39 -1.04 0.25 -4.62 114.28 108.34 1s4x n THR 63 Ca 0.01 -0.14 0.06 0.00 -2.04 0.00 0.00 64.05 61.94 1s4x n THR 63 Cb 0.46 0.61 0.32 0.00 -1.82 0.00 0.00 70.33 69.90 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 -1.17 0.39 0.25 -1.42 4.11 0.81 0.45 117.16 120.59 1s4x n TYR 64 Ca 0.00 0.21 0.15 0.00 -0.00 0.00 0.00 57.90 58.25 1s4x n TYR 64 Cb 0.00 -0.68 0.51 0.00 -0.00 0.00 0.00 39.34 39.17 1s4x n TYR 64 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.86 176.77 1s4x h ARG 65 N 0.00 0.00 0.00 -3.48 2.43 -1.81 -3.46 114.38 108.06 1s4x h ARG 65 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1s4x h ARG 65 Cb 0.39 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1s4x h ARG 65 CO 0.00 0.04 0.00 0.41 -1.51 0.00 0.00 179.97 178.91 1s4x n GLY 66 N 0.34 0.02 2.66 2.80 0.00 0.17 -5.21 105.19 105.97 1s4x n GLY 66 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1s4x n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02