#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 0.11 -0.35 5.85 -2.05 1.02 115.31 118.51 1s4x h LEU 22 Ca 0.00 0.19 -0.32 0.00 0.84 0.00 0.00 57.88 58.59 1s4x h LEU 22 Cb 0.00 0.59 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 1s4x h LEU 22 CO 0.00 -0.24 -1.66 0.25 -0.34 0.00 0.00 178.44 176.46 1s4x h LEU 23 N -0.17 0.38 -1.35 2.25 6.46 -2.03 -1.57 115.31 119.28 1s4x h LEU 23 Ca 0.07 -0.60 0.00 0.00 -0.12 0.00 0.00 57.88 57.24 1s4x h LEU 23 Cb 0.37 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.17 1s4x h LEU 23 CO -0.51 1.51 0.08 0.40 -0.62 0.00 0.00 178.44 179.30 1s4x h ILE 24 N 0.07 0.00 0.00 4.05 2.04 -1.93 0.35 117.51 122.09 1s4x h ILE 24 Ca -0.29 0.00 -0.43 0.00 1.00 0.00 0.00 64.86 65.14 1s4x h ILE 24 Cb 2.03 0.45 -0.07 0.00 -0.74 0.00 0.00 36.82 38.49 1s4x h ILE 24 CO 0.14 0.00 -2.51 0.41 0.00 0.00 0.00 178.15 176.19 1s4x n THR 25 N -2.24 1.49 0.12 -0.27 -1.04 0.35 -4.28 114.28 108.41 1s4x n THR 25 Ca -0.01 -0.45 -0.13 0.00 -2.04 0.00 0.00 64.05 61.41 1s4x n THR 25 Cb 0.11 -1.69 -0.08 0.00 -1.82 0.00 0.00 70.33 66.84 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 -0.61 0.84 0.00 12.58 2.04 -0.23 1.73 117.51 133.87 1s4x h ILE 26 Ca -0.65 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 64.57 1s4x h ILE 26 Cb 1.72 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 39.00 1s4x h ILE 26 CO -0.29 0.14 0.29 1.57 0.00 0.00 0.00 178.15 179.85 1s4x n HIS 27 N -5.08 0.20 -0.01 1.37 -0.00 0.11 -0.12 115.22 111.69 1s4x n HIS 27 Ca -0.09 0.10 -0.01 0.00 0.46 0.00 0.00 57.72 58.18 1s4x n HIS 27 Cb 0.24 -0.43 -0.02 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 -1.64 4.31 -0.16 0.26 9.92 -0.86 -4.58 116.55 123.79 1s4x n ASP 28 Ca -0.00 -0.00 0.24 0.00 -0.53 0.00 0.00 54.79 54.50 1s4x n ASP 28 Cb 0.30 0.54 0.66 0.00 -0.64 0.00 0.00 41.12 41.98 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 0.11 -0.87 -1.24 9.65 0.61 -1.19 114.38 121.45 1s4x h ARG 29 Ca -0.07 -0.01 0.23 0.00 -1.10 0.00 0.00 59.98 59.03 1s4x h ARG 29 Cb 1.16 -0.03 -0.14 0.00 -1.39 0.00 0.00 29.97 29.58 1s4x h ARG 29 CO 0.00 0.07 0.24 1.57 2.80 0.00 0.00 179.97 184.66 1s4x h LYS 30 N 0.12 0.21 0.17 0.20 2.10 -1.71 2.20 116.57 119.86 1s4x h LYS 30 Ca 0.40 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 59.03 1s4x h LYS 30 Cb 1.42 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.71 1s4x h LYS 30 CO -0.05 0.14 -0.08 0.93 -2.00 0.00 0.00 179.45 178.38 1s4x h GLU 31 N 0.22 -0.22 0.00 0.07 4.39 -1.53 0.98 114.58 118.48 1s4x h GLU 31 Ca 0.54 0.02 -0.00 0.00 0.34 0.00 0.00 59.36 60.26 1s4x h GLU 31 Cb 1.08 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1s4x h GLU 31 CO -0.64 0.05 -0.01 0.74 -1.16 0.00 0.00 179.01 177.99 1s4x h PHE 32 N -0.50 0.00 0.00 4.33 0.04 -0.82 0.55 116.94 120.55 1s4x h PHE 32 Ca -0.02 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.52 1s4x h PHE 32 Cb 0.38 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.50 1s4x h PHE 32 CO 0.01 0.01 -1.21 0.00 -0.60 0.00 0.00 178.31 176.53 1s4x h ALA 33 N 1.99 0.54 0.05 2.45 0.00 0.42 -3.28 119.26 121.43 1s4x h ALA 33 Ca -0.00 -1.03 -0.22 0.00 0.00 0.00 0.00 54.91 53.65 1s4x h ALA 33 Cb 0.03 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1s4x h ALA 33 CO 0.00 1.27 -1.19 1.57 0.00 0.00 0.00 179.25 180.90 1s4x h LYS 34 N 0.00 0.10 0.00 0.00 2.10 0.31 -3.33 116.57 115.75 1s4x h LYS 34 Ca -0.11 -0.17 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 1s4x h LYS 34 Cb 1.79 0.06 0.00 0.00 -0.90 0.00 0.00 32.23 33.18 1s4x h LYS 34 CO 0.10 1.08 0.00 1.19 -2.00 0.00 0.00 179.45 179.82 1s4x n PHE 35 N -4.22 0.24 -0.19 0.07 3.72 0.17 -1.77 117.46 115.49 1s4x n PHE 35 Ca -0.27 0.13 -0.09 0.00 -0.05 0.00 0.00 57.45 57.17 1s4x n PHE 35 Cb 0.75 -0.70 0.01 0.00 -0.94 0.00 0.00 39.48 38.60 1s4x n PHE 35 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 1s4x h GLU 36 N 0.00 0.87 -0.26 -1.08 4.11 -1.67 -2.66 114.58 113.89 1s4x h GLU 36 Ca 0.00 -0.23 0.07 0.00 0.07 0.00 0.00 59.36 59.28 1s4x h GLU 36 Cb 0.01 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1s4x h GLU 36 CO 0.00 0.84 0.30 1.49 0.07 0.00 0.00 179.01 181.71 1s4x h GLU 37 N 0.76 0.00 0.59 1.06 4.81 -1.56 2.56 114.58 122.79 1s4x h GLU 37 Ca 0.16 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.36 1s4x h GLU 37 Cb 0.39 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.77 1s4x h GLU 37 CO 0.01 0.00 -0.28 0.93 -0.73 0.00 0.00 179.01 178.93 1s4x h GLU 38 N 0.00 -0.76 -0.31 1.92 5.08 -1.64 -3.35 114.58 115.52 1s4x h GLU 38 Ca 0.12 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1s4x h GLU 38 Cb 0.72 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1s4x h GLU 38 CO -0.00 -0.48 0.00 2.89 -1.00 0.00 0.00 179.01 180.42 1s4x n ARG 39 N -5.31 2.90 0.00 2.33 1.85 -1.02 -4.76 116.66 112.65 1s4x n ARG 39 Ca -0.10 -2.35 0.00 0.00 -1.00 0.00 0.00 57.85 54.40 1s4x n ARG 39 Cb 0.33 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 30.25 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 0.10 0.00 0.41 2.89 0.00 0.86 -1.17 120.51 123.60 1s4x n ALA 40 Ca 0.15 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.70 1s4x n ALA 40 Cb 0.60 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.03 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 0.39 0.00 0.00 1.74 -1.26 -4.15 116.66 113.38 1s4x n ARG 41 Ca 0.00 -0.02 0.03 0.00 -0.77 0.00 0.00 57.85 57.09 1s4x n ARG 41 Cb 0.00 -1.61 0.15 0.00 -1.02 0.00 0.00 32.46 29.98 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 -1.95 1.78 -0.01 7.54 0.00 -0.32 0.35 120.51 127.90 1s4x n ALA 42 Ca 0.01 -0.03 0.03 0.00 0.00 0.00 0.00 53.44 53.44 1s4x n ALA 42 Cb 0.47 -1.08 -0.08 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 0.81 -0.56 0.00 0.00 -1.26 -4.66 118.16 111.67 1s4x n LYS 43 Ca 0.04 -0.07 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 1s4x n LYS 43 Cb 0.02 -1.25 -0.00 0.00 -0.00 0.00 0.00 35.03 33.80 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 -0.03 -5.00 117.44 120.28 1s4x n TRP 44 Ca -0.05 -0.03 0.00 0.00 -3.89 0.00 0.00 57.50 53.53 1s4x n TRP 44 Cb 0.40 0.02 0.00 0.00 -1.36 0.00 0.00 31.31 30.37 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 0.91 -4.93 116.55 119.89 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 0.68 0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.89 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 -1.42 0.00 -0.08 -3.53 5.66 1.07 -4.37 114.28 111.60 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 -0.07 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 -4.70 120.51 118.07 1s4x n ALA 47 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.76 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 -3.21 0.00 -4.83 0.00 0.23 -1.26 -4.12 115.26 102.06 1s4x n ASN 48 Ca -0.30 0.00 -0.32 0.00 -0.53 0.00 0.00 54.58 53.43 1s4x n ASN 48 Cb 0.78 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 -0.24 6.54 0.07 0.53 3.04 -1.26 -4.85 114.94 118.77 1s4x s ASN 49 Ca 0.00 1.64 0.02 0.00 0.04 0.00 0.00 52.86 54.56 1s4x s ASN 49 Cb 0.00 -2.52 0.10 0.00 -1.54 0.00 0.00 41.25 37.29 1s4x s ASN 49 CO 0.00 -0.64 0.78 -2.65 -3.04 0.00 0.00 177.10 171.55 1s4x n PRO 50 N -1.48 0.01 -0.33 0.43 -0.02 -1.26 -1.39 135.00 130.96 1s4x n PRO 50 Ca 0.07 0.26 0.06 0.00 -2.02 0.00 0.00 63.50 61.87 1s4x n PRO 50 Cb 0.54 -1.88 0.14 0.00 -0.02 0.00 0.00 33.50 32.27 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 -0.81 -1.35 2.45 7.12 -1.89 2.86 115.31 123.70 1s4x h LEU 51 Ca 0.00 0.28 0.19 0.00 0.13 0.00 0.00 57.88 58.48 1s4x h LEU 51 Cb 0.68 0.56 -0.08 0.00 -0.53 0.00 0.00 40.66 41.29 1s4x h LEU 51 CO 0.00 -0.31 0.60 0.10 -0.13 0.00 0.00 178.44 178.71 1s4x h TYR 52 N 0.00 0.71 0.00 1.25 -0.00 -1.44 2.84 116.97 120.33 1s4x h TYR 52 Ca 0.46 0.02 -0.01 0.00 0.00 0.00 0.00 58.73 59.20 1s4x h TYR 52 Cb 0.73 -0.22 -0.00 0.00 0.00 0.00 0.00 36.73 37.24 1s4x h TYR 52 CO -0.69 0.19 -0.35 -0.22 -0.00 0.00 0.00 178.16 177.08 1s4x h LYS 53 N 0.53 0.00 0.00 0.10 3.64 0.46 -3.18 116.57 118.12 1s4x h LYS 53 Ca 0.50 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.69 1s4x h LYS 53 Cb 1.06 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.85 1s4x h LYS 53 CO -0.23 0.05 -1.10 0.93 -2.27 0.00 0.00 179.45 176.83 1s4x h GLU 54 N 0.00 0.00 -0.58 1.90 5.08 0.97 -3.23 114.58 118.72 1s4x h GLU 54 Ca -0.01 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.51 1s4x h GLU 54 Cb 1.05 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 1s4x h GLU 54 CO 0.01 0.62 0.41 0.00 -1.00 0.00 0.00 179.01 179.05 1s4x h ALA 55 N 1.22 2.47 0.03 3.43 0.00 0.33 0.67 119.26 127.41 1s4x h ALA 55 Ca -0.10 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.58 1s4x h ALA 55 Cb 1.68 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 1s4x h ALA 55 CO 0.09 -0.64 -0.98 1.79 0.00 0.00 0.00 179.25 179.51 1s4x h THR 56 N 0.05 1.54 0.00 0.00 1.35 -1.69 -2.79 112.91 111.37 1s4x h THR 56 Ca 0.28 -2.86 -0.01 0.00 -0.55 0.00 0.00 66.41 63.27 1s4x h THR 56 Cb 1.03 2.64 -0.00 0.00 -1.73 0.00 0.00 68.15 70.08 1s4x h THR 56 CO -0.02 0.83 -0.03 0.77 -0.25 0.00 0.00 175.52 176.83 1s4x h SER 57 N 0.08 0.00 -0.05 5.36 4.64 0.25 -1.13 113.55 122.71 1s4x h SER 57 Ca -0.06 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.28 1s4x h SER 57 Cb 1.65 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.74 1s4x h SER 57 CO 0.15 0.03 0.48 0.74 -0.87 0.00 0.00 176.83 177.36 1s4x h THR 58 N 0.00 0.03 0.02 2.95 2.02 -1.00 0.99 112.91 117.92 1s4x h THR 58 Ca -0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 1s4x h THR 58 Cb 0.15 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 1s4x h THR 58 CO 0.00 0.00 -0.20 0.15 0.37 0.00 0.00 175.52 175.85 1s4x h PHE 59 N 0.00 0.16 0.00 3.16 3.57 -1.41 -3.25 116.94 119.17 1s4x h PHE 59 Ca 0.02 -0.10 -0.05 0.00 3.53 0.00 0.00 57.97 61.37 1s4x h PHE 59 Cb 0.99 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 1s4x h PHE 59 CO 0.00 0.98 -0.23 1.15 -2.23 0.00 0.00 178.31 177.98 1s4x h THR 60 N -0.70 0.48 0.00 4.41 2.02 -0.20 -2.91 112.91 116.00 1s4x h THR 60 Ca -0.03 -1.27 0.00 0.00 0.77 0.00 0.00 66.41 65.88 1s4x h THR 60 Cb 1.05 1.91 0.00 0.00 -1.74 0.00 0.00 68.15 69.37 1s4x h THR 60 CO 0.04 0.22 0.03 -3.20 0.37 0.00 0.00 175.52 172.98 1s4x n ASN 61 N -3.28 0.00 -0.02 4.18 5.15 0.29 0.29 115.26 121.87 1s4x n ASN 61 Ca 0.01 0.43 0.05 0.00 -0.60 0.00 0.00 54.58 54.47 1s4x n ASN 61 Cb 0.50 -0.43 -0.11 0.00 -0.53 0.00 0.00 39.78 39.20 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 -1.43 0.16 0.40 -1.44 5.41 -1.10 -4.32 119.36 117.03 1s4x n ILE 62 Ca 0.00 -0.38 0.10 0.00 1.00 0.00 0.00 62.75 63.47 1s4x n ILE 62 Cb 0.03 0.03 -0.14 0.00 -0.71 0.00 0.00 39.64 38.85 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 0.00 0.00 1.39 -1.04 0.12 -4.23 114.28 108.42 1s4x n THR 63 Ca -0.06 -0.28 0.00 0.00 -2.04 0.00 0.00 64.05 61.67 1s4x n THR 63 Cb 0.48 0.44 0.00 0.00 -1.82 0.00 0.00 70.33 69.43 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 -1.90 0.00 0.30 -1.42 4.11 0.82 -0.20 117.16 118.87 1s4x n TYR 64 Ca -0.01 0.00 0.17 0.00 -0.00 0.00 0.00 57.90 58.06 1s4x n TYR 64 Cb 0.44 -0.28 0.68 0.00 -0.00 0.00 0.00 39.34 40.19 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 -5.80 -3.48 2.43 -1.81 -3.46 114.38 102.26 1s4x h ARG 65 Ca 0.00 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.81 1s4x h ARG 65 Cb 0.31 0.00 0.13 0.00 -0.42 0.00 0.00 29.97 29.99 1s4x h ARG 65 CO 0.00 0.00 -0.77 0.41 -1.51 0.00 0.00 179.97 178.10 1s4x n GLY 66 N -0.05 -0.37 3.47 2.80 0.00 0.72 -5.22 105.19 106.53 1s4x n GLY 66 Ca 0.01 0.13 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