#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 -1.33 0.16 -0.35 5.85 -2.05 1.22 115.31 118.82 1s4x h LEU 22 Ca 0.00 0.18 -0.34 0.00 0.84 0.00 0.00 57.88 58.56 1s4x h LEU 22 Cb 0.00 0.56 0.00 0.00 0.37 0.00 0.00 40.66 41.59 1s4x h LEU 22 CO 0.00 -0.23 -1.74 0.25 -0.34 0.00 0.00 178.44 176.38 1s4x h LEU 23 N -0.18 0.54 -1.64 2.25 5.85 -2.03 -1.04 115.31 119.06 1s4x h LEU 23 Ca 0.07 -0.84 0.00 0.00 0.84 0.00 0.00 57.88 57.95 1s4x h LEU 23 Cb 0.36 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1s4x h LEU 23 CO -0.48 1.72 0.25 0.40 -0.34 0.00 0.00 178.44 179.99 1s4x h ILE 24 N 0.09 0.00 0.00 4.05 2.04 -1.94 0.59 117.51 122.35 1s4x h ILE 24 Ca -0.33 0.00 -0.45 0.00 1.00 0.00 0.00 64.86 65.07 1s4x h ILE 24 Cb 2.08 0.55 -0.07 0.00 -0.74 0.00 0.00 36.82 38.64 1s4x h ILE 24 CO 0.16 0.00 -2.53 0.41 0.00 0.00 0.00 178.15 176.20 1s4x n THR 25 N -2.55 1.50 -0.25 -0.27 -1.04 0.42 -4.12 114.28 107.97 1s4x n THR 25 Ca -0.02 -0.41 -0.06 0.00 -2.04 0.00 0.00 64.05 61.53 1s4x n THR 25 Cb 0.29 -1.82 0.05 0.00 -1.82 0.00 0.00 70.33 67.03 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 -0.87 1.21 0.00 12.58 2.04 -0.05 0.18 117.51 132.60 1s4x h ILE 26 Ca -0.68 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 64.66 1s4x h ILE 26 Cb 1.64 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1s4x h ILE 26 CO -0.38 0.23 0.00 1.57 0.00 0.00 0.00 178.15 179.56 1s4x n HIS 27 N -4.52 0.40 -0.07 1.37 -0.00 0.19 -2.47 115.22 110.13 1s4x n HIS 27 Ca 0.06 0.19 -0.07 0.00 0.46 0.00 0.00 57.72 58.36 1s4x n HIS 27 Cb 0.08 -0.81 -0.04 0.00 -0.12 0.00 0.00 29.99 29.10 1s4x n HIS 27 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 1s4x h ASP 28 N 0.00 0.00 -0.49 0.26 3.32 -1.11 -3.29 116.42 115.11 1s4x h ASP 28 Ca 0.00 -0.21 0.14 0.00 0.02 0.00 0.00 57.03 56.98 1s4x h ASP 28 Cb 0.11 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 1s4x h ASP 28 CO 0.00 0.82 0.64 0.08 -1.72 0.00 0.00 179.24 179.06 1s4x h ARG 29 N -1.00 0.00 -0.77 3.56 -0.00 -1.30 0.77 114.38 115.64 1s4x h ARG 29 Ca -0.06 0.00 0.16 0.00 -0.00 0.00 0.00 59.98 60.08 1s4x h ARG 29 Cb 0.53 0.00 -0.10 0.00 -0.00 0.00 0.00 29.97 30.40 1s4x h ARG 29 CO -0.03 0.00 0.29 -0.22 -0.00 0.00 0.00 179.97 180.01 1s4x h LYS 30 N 0.00 0.40 0.00 0.08 3.64 -1.55 2.83 116.57 121.97 1s4x h LYS 30 Ca 0.23 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.45 1s4x h LYS 30 Cb 1.51 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 33.22 1s4x h LYS 30 CO -0.00 0.26 -0.83 0.93 -2.27 0.00 0.00 179.45 177.54 1s4x h GLU 31 N 0.41 0.00 0.26 1.90 4.39 0.32 -3.04 114.58 118.81 1s4x h GLU 31 Ca 0.43 0.00 0.01 0.00 0.34 0.00 0.00 59.36 60.14 1s4x h GLU 31 Cb 0.70 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.32 1s4x h GLU 31 CO -0.44 0.83 -0.34 0.35 -1.16 0.00 0.00 179.01 178.24 1s4x h PHE 32 N -1.00 -0.93 -0.20 4.33 3.04 -0.75 1.35 116.94 122.77 1s4x h PHE 32 Ca -0.21 0.01 0.06 0.00 3.98 0.00 0.00 57.97 61.81 1s4x h PHE 32 Cb 1.07 0.38 -0.01 0.00 2.56 0.00 0.00 35.95 39.95 1s4x h PHE 32 CO 0.09 -0.47 0.23 0.00 -2.02 0.00 0.00 178.31 176.14 1s4x h ALA 33 N -0.13 1.81 0.00 2.41 0.00 0.49 0.22 119.26 124.06 1s4x h ALA 33 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1s4x h ALA 33 Cb 0.63 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1s4x h ALA 33 CO -0.11 -0.33 -0.17 -0.22 0.00 0.00 0.00 179.25 178.42 1s4x h LYS 34 N 0.00 0.00 0.00 0.00 1.63 -0.45 -3.24 116.57 114.51 1s4x h LYS 34 Ca 0.09 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.89 1s4x h LYS 34 Cb 0.55 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.18 1s4x h LYS 34 CO -0.00 0.00 0.17 1.19 -3.45 0.00 0.00 179.45 177.36 1s4x n PHE 35 N -4.73 0.17 -0.32 1.91 3.72 0.43 -1.99 117.46 116.66 1s4x n PHE 35 Ca -0.02 0.09 0.19 0.00 -0.05 0.00 0.00 57.45 57.66 1s4x n PHE 35 Cb 0.09 -0.50 0.39 0.00 -0.94 0.00 0.00 39.48 38.52 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 0.25 -0.36 -1.08 4.11 -0.59 1.00 114.58 117.91 1s4x h GLU 36 Ca 0.00 -0.01 0.10 0.00 0.07 0.00 0.00 59.36 59.52 1s4x h GLU 36 Cb 0.34 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1s4x h GLU 36 CO 0.00 0.16 0.28 1.49 0.07 0.00 0.00 179.01 181.01 1s4x h GLU 37 N 0.26 0.00 0.00 1.06 4.57 -1.63 2.66 114.58 121.50 1s4x h GLU 37 Ca 0.66 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.82 1s4x h GLU 37 Cb 1.43 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.02 1s4x h GLU 37 CO -0.64 0.00 -0.27 0.93 -1.18 0.00 0.00 179.01 177.85 1s4x h GLU 38 N 0.00 0.00 -0.53 1.92 5.08 0.81 -3.39 114.58 118.46 1s4x h GLU 38 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1s4x h GLU 38 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1s4x h GLU 38 CO -0.00 0.12 0.00 2.89 -1.00 0.00 0.00 179.01 181.02 1s4x n ARG 39 N -4.69 3.29 0.00 2.33 1.85 -1.00 -4.82 116.66 113.62 1s4x n ARG 39 Ca -0.05 -2.66 0.00 0.00 -1.00 0.00 0.00 57.85 54.14 1s4x n ARG 39 Cb 0.17 -1.70 0.00 0.00 -1.05 0.00 0.00 32.46 29.89 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 0.82 0.00 0.31 2.89 0.00 0.89 -1.19 120.51 124.24 1s4x n ALA 40 Ca 0.22 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.77 1s4x n ALA 40 Cb 0.75 0.00 -0.04 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 0.46 0.00 0.00 1.74 -1.26 -4.14 116.66 113.46 1s4x n ARG 41 Ca 0.00 -0.02 0.02 0.00 -0.77 0.00 0.00 57.85 57.08 1s4x n ARG 41 Cb 0.00 -1.63 0.15 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 n ALA 42 N -2.02 1.77 -0.01 7.54 0.00 -0.33 0.35 120.51 127.80 1s4x n ALA 42 Ca -0.00 -0.03 0.03 0.00 0.00 0.00 0.00 53.44 53.44 1s4x n ALA 42 Cb 0.50 -1.08 -0.08 0.00 0.00 0.00 0.00 19.45 18.79 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 0.75 -0.54 0.00 0.00 -1.26 -4.66 118.16 111.62 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 -1.24 -0.00 0.00 -0.00 0.00 0.00 35.03 33.81 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 -1.94 0.00 0.00 5.58 4.27 -0.04 -4.99 117.44 120.31 1s4x n TRP 44 Ca -0.04 -0.02 0.00 0.00 -3.89 0.00 0.00 57.50 53.54 1s4x n TRP 44 Cb 0.37 0.02 0.00 0.00 -1.36 0.00 0.00 31.31 30.34 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 0.02 0.00 0.00 -0.67 8.00 0.93 -4.93 116.55 119.90 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 0.67 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 -1.40 0.00 -0.08 -3.53 5.66 1.09 -4.37 114.28 111.64 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 1.72 0.00 1.79 0.00 -1.26 -4.70 120.51 118.07 1s4x n ALA 47 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.74 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 -3.25 0.00 -4.83 0.00 0.23 -1.26 -4.10 115.26 102.06 1s4x n ASN 48 Ca -0.31 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 -0.03 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 -0.43 6.48 0.02 0.53 3.04 -1.26 -4.84 114.94 118.47 1s4x s ASN 49 Ca 0.00 1.67 0.00 0.00 0.04 0.00 0.00 52.86 54.58 1s4x s ASN 49 Cb 0.00 -2.52 0.03 0.00 -1.54 0.00 0.00 41.25 37.21 1s4x s ASN 49 CO 0.00 -0.69 0.73 -2.65 -3.04 0.00 0.00 177.10 171.45 1s4x n PRO 50 N -1.47 0.00 -0.32 0.43 -0.02 -1.26 -1.51 135.00 130.86 1s4x n PRO 50 Ca 0.07 0.22 0.04 0.00 -2.02 0.00 0.00 63.50 61.82 1s4x n PRO 50 Cb 0.54 -1.81 0.12 0.00 -0.02 0.00 0.00 33.50 32.32 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 -0.87 -1.36 2.45 7.12 -1.88 2.88 115.31 123.65 1s4x h LEU 51 Ca 0.00 0.27 0.20 0.00 0.13 0.00 0.00 57.88 58.49 1s4x h LEU 51 Cb 0.61 0.57 -0.08 0.00 -0.53 0.00 0.00 40.66 41.23 1s4x h LEU 51 CO 0.00 -0.30 0.61 0.10 -0.13 0.00 0.00 178.44 178.72 1s4x h TYR 52 N -0.00 0.70 0.00 1.25 -0.00 -1.48 2.86 116.97 120.30 1s4x h TYR 52 Ca 0.43 0.02 -0.02 0.00 0.00 0.00 0.00 58.73 59.16 1s4x h TYR 52 Cb 0.66 -0.21 -0.00 0.00 0.00 0.00 0.00 36.73 37.17 1s4x h TYR 52 CO -0.71 0.17 -0.39 -0.22 -0.00 0.00 0.00 178.16 177.01 1s4x h LYS 53 N 0.51 0.00 0.00 0.10 3.11 0.45 -3.22 116.57 117.53 1s4x h LYS 53 Ca 0.51 0.00 -0.22 0.00 -2.81 0.00 0.00 60.65 58.13 1s4x h LYS 53 Cb 1.12 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 32.31 1s4x h LYS 53 CO -0.24 0.06 -1.23 0.93 -2.81 0.00 0.00 179.45 176.16 1s4x h GLU 54 N 0.00 0.00 -0.61 1.90 5.08 1.05 -3.14 114.58 118.86 1s4x h GLU 54 Ca -0.01 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.42 1s4x h GLU 54 Cb 1.06 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.28 1s4x h GLU 54 CO 0.01 0.72 0.41 0.00 -1.00 0.00 0.00 179.01 179.14 1s4x h ALA 55 N 1.08 1.84 0.03 3.43 0.00 0.29 0.19 119.26 126.12 1s4x h ALA 55 Ca -0.12 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.56 1s4x h ALA 55 Cb 1.80 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 1s4x h ALA 55 CO 0.10 0.06 -0.98 1.79 0.00 0.00 0.00 179.25 180.22 1s4x h THR 56 N 0.57 1.54 0.00 0.00 1.35 -1.67 -2.80 112.91 111.90 1s4x h THR 56 Ca 0.27 -2.89 -0.01 0.00 -0.55 0.00 0.00 66.41 63.23 1s4x h THR 56 Cb 0.32 2.65 -0.00 0.00 -1.73 0.00 0.00 68.15 69.39 1s4x h THR 56 CO -0.08 0.84 -0.06 0.77 -0.25 0.00 0.00 175.52 176.74 1s4x h SER 57 N 0.08 0.00 0.00 5.36 4.64 -0.70 -1.18 113.55 121.75 1s4x h SER 57 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1s4x h SER 57 Cb 1.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.75 1s4x h SER 57 CO 0.15 0.06 0.28 0.74 -0.87 0.00 0.00 176.83 177.18 1s4x h THR 58 N 0.00 0.00 0.03 2.95 2.02 -0.59 2.05 112.91 119.37 1s4x h THR 58 Ca -0.00 0.00 -0.21 0.00 0.77 0.00 0.00 66.41 66.97 1s4x h THR 58 Cb 0.31 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 1s4x h THR 58 CO 0.01 0.00 -1.11 0.15 0.37 0.00 0.00 175.52 174.94 1s4x h PHE 59 N 0.00 0.12 0.00 3.16 3.57 -1.40 -3.35 116.94 119.04 1s4x h PHE 59 Ca 0.00 -0.09 -0.05 0.00 3.53 0.00 0.00 57.97 61.37 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 1.43 -0.22 1.15 -2.23 0.00 0.00 178.31 178.44 1s4x h THR 60 N -0.80 0.45 0.00 4.41 2.02 -0.92 -2.96 112.91 115.11 1s4x h THR 60 Ca -0.28 -1.33 0.00 0.00 0.77 0.00 0.00 66.41 65.57 1s4x h THR 60 Cb 1.38 1.98 0.00 0.00 -1.74 0.00 0.00 68.15 69.77 1s4x h THR 60 CO -0.10 0.22 0.03 -3.20 0.37 0.00 0.00 175.52 172.83 1s4x n ASN 61 N -3.24 0.05 -0.03 4.18 5.15 0.67 0.27 115.26 122.31 1s4x n ASN 61 Ca 0.02 0.50 0.04 0.00 -0.60 0.00 0.00 54.58 54.53 1s4x n ASN 61 Cb 0.52 -0.51 -0.14 0.00 -0.53 0.00 0.00 39.78 39.13 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 -1.55 0.36 0.47 -1.44 5.41 -1.12 -4.23 119.36 117.26 1s4x n ILE 62 Ca -0.00 -0.51 0.11 0.00 1.00 0.00 0.00 62.75 63.34 1s4x n ILE 62 Cb 0.03 -0.12 -0.12 0.00 -0.71 0.00 0.00 39.64 38.72 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 -2.29 0.03 0.00 1.39 -1.04 0.11 -4.23 114.28 108.26 1s4x n THR 63 Ca -0.11 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.63 1s4x n THR 63 Cb 0.66 0.42 0.00 0.00 -1.82 0.00 0.00 70.33 69.58 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 -1.93 0.00 0.39 -1.42 4.11 0.76 -1.28 117.16 117.79 1s4x n TYR 64 Ca -0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.90 57.92 1s4x n TYR 64 Cb 0.46 -0.24 0.14 0.00 -0.00 0.00 0.00 39.34 39.70 1s4x n TYR 64 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1s4x n ARG 65 N -1.23 0.19 -1.20 -3.48 5.12 -1.26 -4.71 116.66 110.09 1s4x n ARG 65 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1s4x n ARG 65 Cb 0.24 -1.38 0.00 0.00 -1.16 0.00 0.00 32.46 30.16 1s4x n ARG 65 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1s4x n GLY 66 N -0.54 0.40 3.26 -0.13 0.00 -0.40 -5.23 105.19 102.55 1s4x n GLY 66 Ca 0.04 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1s4x n GLY 66 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73