#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 -1.48 0.04 -0.35 5.85 -2.05 1.21 115.31 118.54 1s4x h LEU 22 Ca 0.00 0.21 -0.28 0.00 0.84 0.00 0.00 57.88 58.65 1s4x h LEU 22 Cb 0.00 0.63 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 1s4x h LEU 22 CO 0.00 -0.24 -1.53 0.25 -0.34 0.00 0.00 178.44 176.59 1s4x h LEU 23 N -0.15 0.12 -1.28 2.25 5.85 -2.03 -0.76 115.31 119.31 1s4x h LEU 23 Ca 0.08 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1s4x h LEU 23 Cb 0.37 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.36 1s4x h LEU 23 CO -0.56 1.17 0.00 -0.38 -0.34 0.00 0.00 178.44 178.33 1s4x n ILE 24 N -3.24 0.97 -0.13 4.05 5.41 -1.00 -0.94 119.36 124.47 1s4x n ILE 24 Ca -0.14 0.61 -0.27 0.00 1.00 0.00 0.00 62.75 63.95 1s4x n ILE 24 Cb 1.02 -1.60 -0.10 0.00 -0.71 0.00 0.00 39.64 38.26 1s4x n ILE 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 1s4x n THR 25 N -2.27 1.48 0.18 1.39 -1.04 0.41 -4.32 114.28 110.10 1s4x n THR 25 Ca -0.01 -0.41 -0.14 0.00 -2.04 0.00 0.00 64.05 61.45 1s4x n THR 25 Cb 0.09 -1.78 -0.08 0.00 -1.82 0.00 0.00 70.33 66.73 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 -0.79 0.73 0.00 12.58 2.04 -0.75 2.57 117.51 133.89 1s4x h ILE 26 Ca -0.67 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 64.99 1s4x h ILE 26 Cb 1.65 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 38.58 1s4x h ILE 26 CO -0.36 0.04 0.27 1.57 0.00 0.00 0.00 178.15 179.67 1s4x n HIS 27 N -5.22 0.24 0.00 1.37 -0.00 -0.11 -0.69 115.22 110.81 1s4x n HIS 27 Ca -0.10 0.12 0.00 0.00 0.46 0.00 0.00 57.72 58.21 1s4x n HIS 27 Cb 0.21 -0.49 0.00 0.00 -0.12 0.00 0.00 29.99 29.59 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 -1.71 4.84 -0.27 0.26 9.92 -0.60 -4.65 116.55 124.35 1s4x n ASP 28 Ca -0.00 0.00 0.28 0.00 -0.53 0.00 0.00 54.79 54.54 1s4x n ASP 28 Cb 0.28 0.59 0.66 0.00 -0.64 0.00 0.00 41.12 42.01 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 0.13 -0.67 -1.24 9.65 0.67 -1.73 114.38 121.19 1s4x h ARG 29 Ca 0.00 -0.01 0.13 0.00 -1.10 0.00 0.00 59.98 59.00 1s4x h ARG 29 Cb 0.75 -0.03 -0.13 0.00 -1.39 0.00 0.00 29.97 29.17 1s4x h ARG 29 CO 0.00 0.09 -0.24 -0.22 2.80 0.00 0.00 179.97 182.40 1s4x h LYS 30 N 0.14 -0.06 -0.12 0.20 1.63 -1.77 2.36 116.57 118.95 1s4x h LYS 30 Ca 0.52 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.32 1s4x h LYS 30 Cb 1.79 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 33.42 1s4x h LYS 30 CO -0.09 -0.04 0.08 0.93 -3.45 0.00 0.00 179.45 176.88 1s4x h GLU 31 N -0.06 0.16 -0.01 1.90 5.08 -1.65 0.65 114.58 120.65 1s4x h GLU 31 Ca 0.30 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.62 1s4x h GLU 31 Cb 0.53 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1s4x h GLU 31 CO -0.72 0.11 -0.15 0.74 -1.00 0.00 0.00 179.01 178.00 1s4x h PHE 32 N 0.15 0.01 0.00 4.33 0.04 -0.87 0.73 116.94 121.34 1s4x h PHE 32 Ca 0.04 -0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.70 1s4x h PHE 32 Cb -0.01 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.12 1s4x h PHE 32 CO -0.07 0.16 -0.51 0.00 -0.60 0.00 0.00 178.31 177.29 1s4x h ALA 33 N 1.84 0.84 0.00 2.45 0.00 0.53 -3.10 119.26 121.83 1s4x h ALA 33 Ca 0.00 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 1s4x h ALA 33 Cb 0.26 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1s4x h ALA 33 CO 0.02 0.64 -0.51 -0.22 0.00 0.00 0.00 179.25 179.18 1s4x h LYS 34 N 0.00 0.00 0.00 0.00 1.63 0.26 -3.35 116.57 115.11 1s4x h LYS 34 Ca -0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1s4x h LYS 34 Cb 1.14 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.77 1s4x h LYS 34 CO 0.07 0.20 0.26 0.34 -3.45 0.00 0.00 179.45 176.86 1s4x n PHE 35 N -4.62 0.12 -0.11 1.91 7.35 0.23 -0.76 117.46 121.58 1s4x n PHE 35 Ca -0.10 0.06 -0.12 0.00 -0.76 0.00 0.00 57.45 56.54 1s4x n PHE 35 Cb 0.29 -0.38 -0.03 0.00 0.35 0.00 0.00 39.48 39.71 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 0.64 -0.14 -4.13 4.11 -1.67 -2.74 114.58 110.65 1s4x h GLU 36 Ca 0.00 -0.25 0.04 0.00 0.07 0.00 0.00 59.36 59.22 1s4x h GLU 36 Cb 0.51 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1s4x h GLU 36 CO 0.00 0.82 0.54 1.49 0.07 0.00 0.00 179.01 181.93 1s4x h GLU 37 N 0.42 0.00 0.09 1.06 4.81 -1.16 2.88 114.58 122.67 1s4x h GLU 37 Ca 0.08 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1s4x h GLU 37 Cb 0.60 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1s4x h GLU 37 CO 0.04 0.00 -0.04 0.93 -0.73 0.00 0.00 179.01 179.20 1s4x h GLU 38 N 0.00 -0.11 -0.24 1.92 5.08 -1.66 -3.39 114.58 116.17 1s4x h GLU 38 Ca 0.07 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1s4x h GLU 38 Cb 1.14 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1s4x h GLU 38 CO -0.00 -0.08 0.00 2.89 -1.00 0.00 0.00 179.01 180.82 1s4x n ARG 39 N -4.65 2.78 0.00 2.33 1.85 -0.86 -4.79 116.66 113.32 1s4x n ARG 39 Ca -0.01 -2.26 0.00 0.00 -1.00 0.00 0.00 57.85 54.57 1s4x n ARG 39 Cb 0.05 -1.43 0.00 0.00 -1.05 0.00 0.00 32.46 30.03 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 0.23 2.89 0.00 0.96 -1.09 120.51 123.39 1s4x n ALA 40 Ca 0.13 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.68 1s4x n ALA 40 Cb 0.56 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.91 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 0.51 0.00 0.00 1.74 -1.26 -4.19 116.66 113.46 1s4x n ARG 41 Ca 0.00 -0.09 0.03 0.00 -0.77 0.00 0.00 57.85 57.01 1s4x n ARG 41 Cb 0.00 -1.58 0.15 0.00 -1.02 0.00 0.00 32.46 30.01 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 -2.08 1.77 0.05 7.54 0.00 -0.25 0.38 120.51 127.91 1s4x n ALA 42 Ca -0.01 -0.03 0.06 0.00 0.00 0.00 0.00 53.44 53.45 1s4x n ALA 42 Cb 0.52 -1.08 -0.09 0.00 0.00 0.00 0.00 19.45 18.80 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 -0.83 0.66 -0.52 0.00 2.85 -1.26 -4.64 118.16 114.41 1s4x n LYS 43 Ca 0.04 -0.09 -0.00 0.00 -1.05 0.00 0.00 58.31 57.20 1s4x n LYS 43 Cb 0.02 -1.24 -0.00 0.00 -0.65 0.00 0.00 35.03 33.15 1s4x n LYS 43 CO 0.00 0.00 0.00 -2.67 -0.05 0.00 0.00 177.40 174.68 1s4x n TRP 44 N -1.83 0.00 0.00 5.58 4.27 0.29 -5.00 117.44 120.75 1s4x n TRP 44 Ca -0.02 -0.01 0.00 0.00 -3.89 0.00 0.00 57.50 53.58 1s4x n TRP 44 Cb 0.28 0.07 0.00 0.00 -1.36 0.00 0.00 31.31 30.31 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 1.07 -4.91 116.55 120.06 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 0.63 0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.86 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 -1.76 0.00 -0.09 -3.53 5.66 1.20 -4.33 114.28 111.44 1s4x n THR 46 Ca 0.00 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.85 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 1.70 0.00 1.79 0.00 -1.26 -4.62 120.51 118.12 1s4x n ALA 47 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.71 1s4x n ALA 47 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.61 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 -3.28 0.00 -4.81 0.00 0.23 -1.26 -3.97 115.26 102.16 1s4x n ASN 48 Ca -0.32 0.00 -0.33 0.00 -0.53 0.00 0.00 54.58 53.40 1s4x n ASN 48 Cb 0.80 0.00 -0.03 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 -1.62 6.44 0.00 0.53 3.84 -1.26 -4.84 114.94 118.03 1s4x s ASN 49 Ca 0.00 1.78 0.00 0.00 0.21 0.00 0.00 52.86 54.85 1s4x s ASN 49 Cb 0.00 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 38.16 1s4x s ASN 49 CO 0.00 -0.71 0.57 -2.65 -2.79 0.00 0.00 177.10 171.52 1s4x n PRO 50 N -1.21 0.00 -0.37 0.43 -0.02 -1.25 -2.22 135.00 130.36 1s4x n PRO 50 Ca 0.08 0.16 0.01 0.00 -2.02 0.00 0.00 63.50 61.73 1s4x n PRO 50 Cb 0.53 -1.65 0.07 0.00 -0.02 0.00 0.00 33.50 32.43 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 -1.25 -1.27 2.45 7.12 -1.88 3.10 115.31 123.57 1s4x h LEU 51 Ca 0.00 0.30 0.21 0.00 0.13 0.00 0.00 57.88 58.53 1s4x h LEU 51 Cb 0.31 0.70 -0.09 0.00 -0.53 0.00 0.00 40.66 41.05 1s4x h LEU 51 CO 0.00 -0.30 0.62 0.10 -0.13 0.00 0.00 178.44 178.73 1s4x h TYR 52 N -0.01 0.78 0.00 1.25 -0.00 -1.64 2.84 116.97 120.19 1s4x h TYR 52 Ca 0.38 0.03 -0.02 0.00 -0.00 0.00 0.00 58.73 59.11 1s4x h TYR 52 Cb 0.64 -0.23 -0.00 0.00 -0.00 0.00 0.00 36.73 37.13 1s4x h TYR 52 CO -0.83 0.16 -0.45 -0.22 -0.00 0.00 0.00 178.16 176.83 1s4x h LYS 53 N 0.55 0.00 0.00 0.10 1.63 0.48 -3.23 116.57 116.10 1s4x h LYS 53 Ca 0.55 0.00 -0.17 0.00 -0.85 0.00 0.00 60.65 60.18 1s4x h LYS 53 Cb 1.15 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.75 1s4x h LYS 53 CO -0.29 0.09 -1.05 0.93 -3.45 0.00 0.00 179.45 175.68 1s4x h GLU 54 N 0.00 0.00 -0.78 1.90 5.08 1.34 -3.10 114.58 119.02 1s4x h GLU 54 Ca -0.01 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.50 1s4x h GLU 54 Cb 1.09 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.29 1s4x h GLU 54 CO 0.01 0.53 0.52 0.00 -1.00 0.00 0.00 179.01 179.07 1s4x h ALA 55 N 1.31 2.12 0.22 3.43 0.00 0.33 0.79 119.26 127.47 1s4x h ALA 55 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.48 1s4x h ALA 55 Cb 1.60 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 19.36 1s4x h ALA 55 CO 0.07 -0.33 -1.57 1.79 0.00 0.00 0.00 179.25 179.21 1s4x h THR 56 N 0.42 1.17 0.00 0.00 1.35 -1.71 -3.11 112.91 111.04 1s4x h THR 56 Ca 0.39 -2.66 -0.00 0.00 -0.55 0.00 0.00 66.41 63.58 1s4x h THR 56 Cb 0.89 2.94 -0.00 0.00 -1.73 0.00 0.00 68.15 70.24 1s4x h THR 56 CO -0.13 0.83 -0.01 0.77 -0.25 0.00 0.00 175.52 176.73 1s4x h SER 57 N 0.13 0.00 0.00 5.36 4.64 -0.78 -0.55 113.55 122.35 1s4x h SER 57 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1s4x h SER 57 Cb 2.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.23 1s4x h SER 57 CO 0.24 0.01 0.36 0.74 -0.87 0.00 0.00 176.83 177.32 1s4x h THR 58 N 0.00 0.00 0.03 2.95 2.02 0.55 2.50 112.91 120.96 1s4x h THR 58 Ca -0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 1s4x h THR 58 Cb 0.09 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 1s4x h THR 58 CO 0.00 0.00 -0.32 0.15 0.37 0.00 0.00 175.52 175.73 1s4x h PHE 59 N 0.00 0.13 0.00 3.16 3.04 -1.31 -3.35 116.94 118.61 1s4x h PHE 59 Ca 0.00 -0.09 -0.09 0.00 3.98 0.00 0.00 57.97 61.77 1s4x h PHE 59 Cb 0.73 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 39.22 1s4x h PHE 59 CO 0.00 1.12 -0.92 1.15 -2.02 0.00 0.00 178.31 177.65 1s4x h THR 60 N -0.85 0.42 0.00 4.41 2.02 -0.43 -3.28 112.91 115.20 1s4x h THR 60 Ca -0.07 -1.70 0.00 0.00 0.77 0.00 0.00 66.41 65.41 1s4x h THR 60 Cb 1.18 2.00 0.00 0.00 -1.74 0.00 0.00 68.15 69.60 1s4x h THR 60 CO 0.02 0.24 0.01 -3.20 0.37 0.00 0.00 175.52 172.96 1s4x n ASN 61 N -2.95 0.00 0.02 4.18 2.85 0.80 0.29 115.26 120.45 1s4x n ASN 61 Ca -0.03 0.37 0.11 0.00 -0.11 0.00 0.00 54.58 54.93 1s4x n ASN 61 Cb 0.71 -0.37 -0.03 0.00 1.24 0.00 0.00 39.78 41.32 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 -1.37 0.16 0.00 -1.44 5.41 -1.24 -4.24 119.36 116.65 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 0.01 0.20 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 0.05 1.39 -1.04 0.19 -4.63 114.28 108.20 1s4x n THR 63 Ca 0.01 -0.14 0.02 0.00 -2.04 0.00 0.00 64.05 61.90 1s4x n THR 63 Cb 0.46 0.62 0.11 0.00 -1.82 0.00 0.00 70.33 69.70 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 -1.16 0.13 0.90 -1.42 4.11 0.82 -1.06 117.16 119.49 1s4x n TYR 64 Ca 0.00 0.07 0.01 0.00 -0.00 0.00 0.00 57.90 57.98 1s4x n TYR 64 Cb 0.00 -0.42 0.05 0.00 -0.00 0.00 0.00 39.34 38.97 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 -1.53 0.45 0.00 -3.48 1.85 -1.26 -3.43 116.66 109.26 1s4x n ARG 65 Ca -0.00 0.00 0.02 0.00 -1.00 0.00 0.00 57.85 56.86 1s4x n ARG 65 Cb 0.22 -1.06 0.09 0.00 -1.05 0.00 0.00 32.46 30.66 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 -0.06 -0.20 2.97 2.89 0.00 -0.23 -5.22 105.19 105.36 1s4x n GLY 66 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1s4x n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02