#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ap4 n ASP 2 N 0.00 -2.94 -0.01 7.83 8.00 -1.26 -4.85 116.55 123.32 1ap4 n ASP 2 Ca 0.00 -1.18 0.09 0.00 0.71 0.00 0.00 54.79 54.41 1ap4 n ASP 2 Cb 0.00 -2.29 -0.15 0.00 -0.02 0.00 0.00 41.12 38.65 1ap4 n ASP 2 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1ap4 n ASP 3 N -2.54 0.44 0.15 -2.24 5.75 -1.26 -4.29 116.55 112.57 1ap4 n ASP 3 Ca -0.18 0.00 -0.15 0.00 -0.01 0.00 0.00 54.79 54.45 1ap4 n ASP 3 Cb 0.61 1.88 -0.08 0.00 -1.03 0.00 0.00 41.12 42.50 1ap4 n ASP 3 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 1ap4 h ILE 4 N 0.00 0.16 -0.90 2.12 2.04 -2.02 -2.18 117.51 116.73 1ap4 h ILE 4 Ca -0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1ap4 h ILE 4 Cb 0.96 0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 1ap4 h ILE 4 CO 0.00 0.00 0.51 1.88 0.00 0.00 0.00 178.15 180.54 1ap4 h TYR 5 N -0.71 1.21 -0.83 1.37 -1.99 -1.99 -1.63 116.97 112.41 1ap4 h TYR 5 Ca 0.00 -0.02 0.24 0.00 2.00 0.00 0.00 58.73 60.96 1ap4 h TYR 5 Cb 0.70 -0.39 -0.03 0.00 2.00 0.00 0.00 36.73 39.01 1ap4 h TYR 5 CO -0.33 0.83 0.69 0.87 -0.00 0.00 0.00 178.16 180.21 1ap4 h LYS 6 N 1.25 0.00 0.00 4.88 1.79 -1.59 0.81 116.57 123.71 1ap4 h LYS 6 Ca 0.32 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.68 1ap4 h LYS 6 Cb -0.00 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.63 1ap4 h LYS 6 CO -0.05 0.00 -0.50 0.00 -1.08 0.00 0.00 179.45 177.82 1ap4 h ALA 7 N 1.41 0.83 0.33 3.86 0.00 -0.97 -3.21 119.26 121.51 1ap4 h ALA 7 Ca 0.39 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1ap4 h ALA 7 Cb 1.76 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.48 1ap4 h ALA 7 CO -0.00 0.62 -0.16 0.00 0.00 0.00 0.00 179.25 179.71 1ap4 h ALA 8 N 1.50 -0.45 -1.04 0.00 0.00 0.59 -3.02 119.26 116.84 1ap4 h ALA 8 Ca -0.00 -0.18 0.27 0.00 0.00 0.00 0.00 54.91 55.00 1ap4 h ALA 8 Cb 1.15 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 19.03 1ap4 h ALA 8 CO 0.06 -0.49 0.69 0.28 0.00 0.00 0.00 179.25 179.79 1ap4 h VAL 9 N -0.97 0.52 0.00 0.00 2.07 -1.62 1.02 116.25 117.28 1ap4 h VAL 9 Ca -0.05 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.36 1ap4 h VAL 9 Cb 0.51 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1ap4 h VAL 9 CO 0.08 0.06 0.00 -0.33 0.02 0.00 0.00 177.57 177.40 1ap4 h GLU 10 N 0.33 0.00 0.00 1.57 5.08 -1.54 -2.58 114.58 117.43 1ap4 h GLU 10 Ca 0.57 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.93 1ap4 h GLU 10 Cb 1.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.83 1ap4 h GLU 10 CO -0.24 0.00 -0.22 1.04 -1.00 0.00 0.00 179.01 178.59 1ap4 n GLN 11 N -2.47 0.07 -1.67 2.33 6.02 0.35 -4.89 117.38 117.13 1ap4 n GLN 11 Ca 0.02 0.04 -0.39 0.00 -0.01 0.00 0.00 57.00 56.67 1ap4 n GLN 11 Cb 0.29 -1.57 0.04 0.00 1.02 0.00 0.00 30.24 30.02 1ap4 n GLN 11 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1ap4 n LEU 12 N -1.68 4.33 -4.84 1.08 4.77 -0.98 -4.96 117.00 114.72 1ap4 n LEU 12 Ca 0.06 0.92 -0.33 0.00 -0.03 0.00 0.00 56.01 56.63 1ap4 n LEU 12 Cb 0.36 -1.47 -0.06 0.00 -2.33 0.00 0.00 43.42 39.92 1ap4 n LEU 12 CO 0.31 -1.22 0.48 0.42 -1.33 0.00 0.00 177.39 176.06 1ap4 s THR 13 N -1.37 4.59 0.17 -5.08 -4.23 -1.26 -4.85 115.64 103.61 1ap4 s THR 13 Ca 0.72 1.13 -0.22 0.00 -1.18 0.00 0.00 61.69 62.13 1ap4 s THR 13 Cb -0.44 -3.63 0.08 0.00 1.34 0.00 0.00 72.50 69.84 1ap4 s THR 13 CO 0.50 -0.19 1.60 -0.08 -0.54 0.00 0.00 174.62 175.91 1ap4 h GLU 14 N 2.26 -0.22 -0.07 3.99 4.22 -1.98 0.60 114.58 123.38 1ap4 h GLU 14 Ca -0.48 0.01 0.02 0.00 0.08 0.00 0.00 59.36 58.99 1ap4 h GLU 14 Cb 1.18 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 1ap4 h GLU 14 CO 0.64 -0.14 0.17 1.05 -2.18 0.00 0.00 179.01 178.55 1ap4 h GLU 15 N -0.22 0.00 0.00 1.92 4.11 -1.99 -1.74 114.58 116.65 1ap4 h GLU 15 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.62 1ap4 h GLU 15 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1ap4 h GLU 15 CO -0.56 0.00 0.00 0.94 0.07 0.00 0.00 179.01 179.46 1ap4 n GLN 16 N -3.33 0.00 -0.54 1.06 7.27 0.20 -3.08 117.38 118.97 1ap4 n GLN 16 Ca -0.01 0.15 0.45 0.00 0.07 0.00 0.00 57.00 57.66 1ap4 n GLN 16 Cb 0.25 -0.65 0.78 0.00 2.41 0.00 0.00 30.24 33.04 1ap4 n GLN 16 CO 0.00 0.00 0.00 1.57 0.07 0.00 0.00 177.06 178.70 1ap4 h LYS 17 N 0.00 0.00 0.28 3.69 2.10 -1.41 0.19 116.57 121.42 1ap4 h LYS 17 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1ap4 h LYS 17 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1ap4 h LYS 17 CO 0.00 0.00 -0.14 -0.91 -2.00 0.00 0.00 179.45 176.40 1ap4 h ASN 18 N 0.00 -0.32 -1.01 7.07 4.21 -1.44 -2.26 115.58 121.82 1ap4 h ASN 18 Ca 0.78 -0.14 0.25 0.00 1.21 0.00 0.00 56.30 58.40 1ap4 h ASN 18 Cb 3.18 0.08 -0.12 0.00 -1.12 0.00 0.00 38.32 40.34 1ap4 h ASN 18 CO -0.01 -0.04 0.61 -0.33 -1.29 0.00 0.00 177.43 176.37 1ap4 h GLU 19 N -0.62 0.54 -0.00 0.81 4.39 -0.54 0.59 114.58 119.74 1ap4 h GLU 19 Ca -0.04 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.52 1ap4 h GLU 19 Cb 0.44 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 1ap4 h GLU 19 CO 0.06 0.36 -0.51 0.74 -1.16 0.00 0.00 179.01 178.50 1ap4 h PHE 20 N 0.55 0.01 -0.24 4.33 0.04 -1.43 -3.17 116.94 117.04 1ap4 h PHE 20 Ca 0.64 -0.00 0.05 0.00 2.80 0.00 0.00 57.97 61.46 1ap4 h PHE 20 Cb 1.27 -0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.37 1ap4 h PHE 20 CO -0.01 0.52 -0.09 -0.22 -0.60 0.00 0.00 178.31 177.91 1ap4 h LYS 21 N 0.01 -0.04 0.11 1.51 3.64 0.79 0.58 116.57 123.17 1ap4 h LYS 21 Ca -0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ap4 h LYS 21 Cb 0.90 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.72 1ap4 h LYS 21 CO 0.07 -0.03 -0.17 0.00 -2.27 0.00 0.00 179.45 177.05 1ap4 h ALA 22 N 1.18 -0.80 -0.98 5.00 0.00 -1.50 -1.66 119.26 120.50 1ap4 h ALA 22 Ca 0.12 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.09 1ap4 h ALA 22 Cb 0.23 0.50 -0.08 0.00 0.00 0.00 0.00 17.79 18.44 1ap4 h ALA 22 CO -0.27 -0.83 0.62 0.00 0.00 0.00 0.00 179.25 178.78 1ap4 h ALA 23 N -1.36 1.54 -0.83 0.00 0.00 -1.62 -1.33 119.26 115.66 1ap4 h ALA 23 Ca -0.01 0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.06 1ap4 h ALA 23 Cb 0.27 -0.22 -0.10 0.00 0.00 0.00 0.00 17.79 17.74 1ap4 h ALA 23 CO -0.05 0.24 0.39 0.35 0.00 0.00 0.00 179.25 180.17 1ap4 h PHE 24 N 0.99 0.67 0.00 0.00 3.57 0.69 0.51 116.94 123.37 1ap4 h PHE 24 Ca 0.47 0.04 0.00 0.00 3.53 0.00 0.00 57.97 62.00 1ap4 h PHE 24 Cb 0.43 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.00 1ap4 h PHE 24 CO -0.00 0.11 0.00 -0.44 -2.23 0.00 0.00 178.31 175.75 1ap4 h ASP 25 N 0.53 0.00 1.50 0.41 3.32 -0.31 -2.79 116.42 119.08 1ap4 h ASP 25 Ca 0.46 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.45 1ap4 h ASP 25 Cb 0.71 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 1ap4 h ASP 25 CO -0.40 0.00 -0.52 0.40 -1.72 0.00 0.00 179.24 177.00 1ap4 h ILE 26 N 0.00 0.39 0.00 0.35 2.04 0.16 -3.28 117.51 117.17 1ap4 h ILE 26 Ca 0.00 -1.59 -0.03 0.00 1.00 0.00 0.00 64.86 64.24 1ap4 h ILE 26 Cb 0.46 2.09 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 1ap4 h ILE 26 CO 0.00 0.22 -0.76 -0.26 0.00 0.00 0.00 178.15 177.35 1ap4 h PHE 27 N 0.00 0.00 -0.14 1.37 0.04 -1.17 -3.26 116.94 113.78 1ap4 h PHE 27 Ca -0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.75 1ap4 h PHE 27 Cb 1.22 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.37 1ap4 h PHE 27 CO 0.00 0.13 0.00 1.33 -0.60 0.00 0.00 178.31 179.17 1ap4 n VAL 28 N -2.87 0.25 -1.55 -0.55 0.24 -1.20 -4.53 118.33 108.13 1ap4 n VAL 28 Ca -0.00 -0.20 -0.13 0.00 -2.04 0.00 0.00 64.34 61.96 1ap4 n VAL 28 Cb 0.60 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.87 1ap4 n VAL 28 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1ap4 n LEU 29 N -0.05 1.29 0.00 1.34 7.99 -1.23 -0.21 117.00 126.12 1ap4 n LEU 29 Ca 0.05 -2.02 0.00 0.00 -0.01 0.00 0.00 56.01 54.03 1ap4 n LEU 29 Cb 0.17 -1.63 0.00 0.00 -0.11 0.00 0.00 43.42 41.85 1ap4 n LEU 29 CO 0.04 -3.16 0.00 0.61 -1.51 0.00 0.00 177.39 173.37 1ap4 n GLY 30 N 6.31 1.08 3.70 -0.72 0.00 -1.26 -5.13 105.19 109.17 1ap4 n GLY 30 Ca 0.42 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.14 1ap4 n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ap4 s ALA 31 N -0.56 1.66 -0.12 4.61 0.00 0.71 -4.96 121.76 123.10 1ap4 s ALA 31 Ca 0.00 0.37 0.17 0.00 0.00 0.00 0.00 51.96 52.51 1ap4 s ALA 31 Cb 0.00 -3.35 -0.22 0.00 0.00 0.00 0.00 23.12 19.55 1ap4 s ALA 31 CO 0.00 -2.42 0.49 0.39 0.00 0.00 0.00 175.76 174.22 1ap4 n GLU 32 N -3.98 0.65 -0.10 0.00 -0.58 -1.26 -4.28 120.64 111.08 1ap4 n GLU 32 Ca 0.10 0.09 0.03 0.00 -0.42 0.00 0.00 57.16 56.96 1ap4 n GLU 32 Cb 0.53 -1.66 0.09 0.00 -0.57 0.00 0.00 31.44 29.82 1ap4 n GLU 32 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1ap4 n ASP 33 N -2.77 2.53 -0.30 1.62 5.68 -1.26 -4.96 116.55 117.09 1ap4 n ASP 33 Ca -0.18 -2.07 0.00 0.00 -0.50 0.00 0.00 54.79 52.04 1ap4 n ASP 33 Cb 0.94 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.78 1ap4 n ASP 33 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ap4 n GLY 34 N -0.04 0.76 3.74 6.12 0.00 -1.26 -5.06 105.19 109.44 1ap4 n GLY 34 Ca 0.07 -0.73 -0.23 0.00 0.00 0.00 0.00 46.02 45.13 1ap4 n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ap4 s ILE 36 N -2.33 5.13 0.33 0.00 1.01 -1.02 -4.25 121.20 120.06 1ap4 s ILE 36 Ca 0.35 0.07 -0.01 0.00 0.00 0.00 0.00 60.65 61.06 1ap4 s ILE 36 Cb -0.05 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 1ap4 s ILE 36 CO 0.23 0.59 0.55 -0.55 0.00 0.00 0.00 174.94 175.75 1ap4 s SER 37 N -0.76 6.34 0.25 3.58 0.15 -1.26 0.63 113.70 122.63 1ap4 s SER 37 Ca 0.13 0.54 0.25 0.00 0.70 0.00 0.00 55.95 57.57 1ap4 s SER 37 Cb -0.12 -2.07 0.86 0.00 -1.71 0.00 0.00 66.02 62.98 1ap4 s SER 37 CO 0.03 -0.26 1.76 0.00 1.20 0.00 0.00 173.24 175.96 1ap4 h THR 38 N 0.95 0.00 0.00 6.45 1.03 -1.93 -2.61 112.91 116.79 1ap4 h THR 38 Ca -0.49 -0.44 -0.06 0.00 -0.01 0.00 0.00 66.41 65.41 1ap4 h THR 38 Cb 1.21 1.36 -0.01 0.00 -1.07 0.00 0.00 68.15 69.64 1ap4 h THR 38 CO 0.63 0.00 -0.28 0.50 -0.01 0.00 0.00 175.52 176.36 1ap4 h LYS 39 N 0.00 0.00 0.00 0.00 1.63 -1.96 -3.17 116.57 113.08 1ap4 h LYS 39 Ca 0.00 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 1ap4 h LYS 39 Cb 0.63 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.26 1ap4 h LYS 39 CO 0.00 0.28 -1.63 0.39 -3.45 0.00 0.00 179.45 175.04 1ap4 n GLU 40 N -4.11 0.59 -0.32 1.90 1.02 -1.19 -4.55 120.64 113.98 1ap4 n GLU 40 Ca -0.02 -0.11 0.22 0.00 -0.02 0.00 0.00 57.16 57.23 1ap4 n GLU 40 Cb 0.34 -1.31 0.43 0.00 -0.02 0.00 0.00 31.44 30.87 1ap4 n GLU 40 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1ap4 h LEU 41 N 0.00 0.16 -0.18 -4.62 6.46 -1.43 0.22 115.31 115.93 1ap4 h LEU 41 Ca -0.04 0.23 0.05 0.00 -0.12 0.00 0.00 57.88 58.00 1ap4 h LEU 41 Cb 0.73 0.27 -0.07 0.00 -0.73 0.00 0.00 40.66 40.86 1ap4 h LEU 41 CO 0.00 -0.26 -0.41 1.23 -0.62 0.00 0.00 178.44 178.38 1ap4 h GLY 42 N 0.15 -0.65 2.00 3.75 0.00 -1.80 0.56 103.07 107.08 1ap4 h GLY 42 Ca 0.70 0.51 -0.01 0.00 0.00 0.00 0.00 47.33 48.53 1ap4 h GLY 42 CO -0.72 -0.22 -0.05 0.50 0.00 0.00 0.00 176.54 176.05 1ap4 h LYS 43 N -0.45 0.00 0.00 4.80 1.57 -0.91 -2.76 116.57 118.82 1ap4 h LYS 43 Ca 0.09 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1ap4 h LYS 43 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1ap4 h LYS 43 CO -0.42 0.05 -0.13 0.28 -0.57 0.00 0.00 179.45 178.66 1ap4 h VAL 44 N 0.00 1.62 -0.39 0.50 2.07 0.85 -3.21 116.25 117.69 1ap4 h VAL 44 Ca -0.00 -1.99 0.11 0.00 0.82 0.00 0.00 66.70 65.65 1ap4 h VAL 44 Cb 0.18 2.93 -0.02 0.00 -1.52 0.00 0.00 31.29 32.87 1ap4 h VAL 44 CO 0.01 0.53 0.33 0.24 0.02 0.00 0.00 177.57 178.70 1ap4 h MET 45 N -0.69 0.00 -0.45 1.57 2.86 0.14 -0.54 114.93 117.82 1ap4 h MET 45 Ca -0.02 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.54 1ap4 h MET 45 Cb 0.94 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.58 1ap4 h MET 45 CO 0.03 0.00 -0.06 0.00 1.06 0.00 0.00 176.91 177.94 1ap4 h ARG 46 N 0.00 0.83 0.29 1.72 3.08 -1.39 1.54 114.38 120.45 1ap4 h ARG 46 Ca 0.19 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 1ap4 h ARG 46 Cb 0.85 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.84 1ap4 h ARG 46 CO -0.00 0.92 -0.14 0.52 -1.07 0.00 0.00 179.97 180.20 1ap4 h MET 47 N 0.67 -0.38 -1.61 0.04 2.86 -1.16 -3.13 114.93 112.22 1ap4 h MET 47 Ca 0.12 0.03 0.47 0.00 -2.06 0.00 0.00 59.70 58.25 1ap4 h MET 47 Cb 0.58 0.09 -0.06 0.00 0.06 0.00 0.00 31.60 32.26 1ap4 h MET 47 CO 0.03 -0.08 1.18 -0.07 1.06 0.00 0.00 176.91 179.04 1ap4 h LEU 48 N -0.99 0.00 0.00 1.22 3.38 -1.48 -3.42 115.31 114.02 1ap4 h LEU 48 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1ap4 h LEU 48 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1ap4 h LEU 48 CO 0.07 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.21 1ap4 n GLY 49 N -1.85 1.97 3.53 0.83 0.00 -1.09 -5.11 105.19 103.48 1ap4 n GLY 49 Ca 0.36 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.13 1ap4 n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ap4 s GLN 50 N 0.00 1.79 -0.41 1.61 -0.21 0.52 -5.00 119.66 117.97 1ap4 s GLN 50 Ca 0.00 -1.97 0.09 0.00 0.02 0.00 0.00 55.36 53.50 1ap4 s GLN 50 Cb 0.00 -1.42 0.31 0.00 1.00 0.00 0.00 33.01 32.89 1ap4 s GLN 50 CO 0.00 -0.01 0.78 0.09 -2.12 0.00 0.00 175.29 174.03 1ap4 n ASN 51 N -0.80 -0.42 -4.80 5.90 3.02 -1.26 -2.90 115.26 113.99 1ap4 n ASN 51 Ca -0.05 -3.12 -0.30 0.00 -0.03 0.00 0.00 54.58 51.09 1ap4 n ASN 51 Cb 0.65 0.20 0.08 0.00 -0.61 0.00 0.00 39.78 40.10 1ap4 n ASN 51 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1ap4 s PRO 52 N -1.21 2.28 0.83 3.52 0.04 -1.26 -5.06 135.00 134.14 1ap4 s PRO 52 Ca 0.34 0.74 -0.09 0.00 0.04 0.00 0.00 61.00 62.03 1ap4 s PRO 52 Cb 0.28 -1.93 0.15 0.00 0.04 0.00 0.00 34.50 33.03 1ap4 s PRO 52 CO -0.10 -1.51 1.16 0.95 0.04 0.00 0.00 177.00 177.54 1ap4 s THR 53 N -3.11 2.09 0.14 1.26 -4.23 -1.26 -4.97 115.64 105.55 1ap4 s THR 53 Ca 0.60 -0.24 -0.07 0.00 -1.18 0.00 0.00 61.69 60.80 1ap4 s THR 53 Cb -0.14 -2.85 -0.14 0.00 1.34 0.00 0.00 72.50 70.70 1ap4 s THR 53 CO 0.55 0.00 1.36 1.55 -0.54 0.00 0.00 174.62 177.53 1ap4 h PRO 54 N -1.07 0.58 0.01 3.99 0.13 -2.01 -3.09 132.00 130.54 1ap4 h PRO 54 Ca -0.42 -0.50 -0.03 0.00 -0.87 0.00 0.00 66.00 64.18 1ap4 h PRO 54 Cb 1.26 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.51 1ap4 h PRO 54 CO 0.44 1.12 -0.12 0.93 -0.23 0.00 0.00 178.00 180.14 1ap4 h GLU 55 N 0.39 0.07 -0.29 0.86 5.08 -2.03 -3.20 114.58 115.46 1ap4 h GLU 55 Ca -0.05 -0.08 0.08 0.00 -1.00 0.00 0.00 59.36 58.31 1ap4 h GLU 55 Cb 1.40 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.66 1ap4 h GLU 55 CO 0.15 0.90 0.42 0.93 -1.00 0.00 0.00 179.01 180.41 1ap4 h GLU 56 N -0.74 0.00 0.03 2.33 5.08 -1.96 -2.71 114.58 116.61 1ap4 h GLU 56 Ca -0.02 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1ap4 h GLU 56 Cb 0.95 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.17 1ap4 h GLU 56 CO 0.02 0.00 -0.28 -0.07 -1.00 0.00 0.00 179.01 177.68 1ap4 h LEU 57 N 0.00 -0.87 -0.94 1.33 4.07 -1.52 -1.96 115.31 115.41 1ap4 h LEU 57 Ca 0.14 0.09 -0.09 0.00 0.08 0.00 0.00 57.88 58.10 1ap4 h LEU 57 Cb 0.98 0.33 -0.01 0.00 1.08 0.00 0.00 40.66 43.03 1ap4 h LEU 57 CO -0.00 -0.29 -0.21 -0.61 -1.08 0.00 0.00 178.44 176.25 1ap4 h GLN 58 N -0.38 0.52 -0.53 1.13 5.75 -1.68 -2.98 115.11 116.94 1ap4 h GLN 58 Ca 0.00 -0.19 0.11 0.00 -0.15 0.00 0.00 58.65 58.42 1ap4 h GLN 58 Cb 0.39 -0.04 -0.09 0.00 1.07 0.00 0.00 27.48 28.81 1ap4 h GLN 58 CO -0.18 0.71 -0.06 1.49 -2.65 0.00 0.00 178.83 178.14 1ap4 h GLU 59 N 0.47 0.06 -0.36 1.69 4.81 -1.31 0.49 114.58 120.43 1ap4 h GLU 59 Ca 0.07 -0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.14 1ap4 h GLU 59 Cb 0.63 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.99 1ap4 h GLU 59 CO 0.04 0.04 -0.38 1.98 -0.73 0.00 0.00 179.01 179.96 1ap4 h MET 60 N 0.06 0.90 -0.12 1.92 4.05 -1.30 -2.92 114.93 117.52 1ap4 h MET 60 Ca 0.27 -0.48 -0.02 0.00 -0.28 0.00 0.00 59.70 59.19 1ap4 h MET 60 Cb 0.41 0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 31.23 1ap4 h MET 60 CO -0.50 1.13 0.01 0.82 0.23 0.00 0.00 176.91 178.60 1ap4 h ILE 61 N 0.70 1.24 0.00 1.77 2.04 -1.16 -1.31 117.51 120.80 1ap4 h ILE 61 Ca 0.05 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.15 1ap4 h ILE 61 Cb 0.98 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.58 1ap4 h ILE 61 CO 0.09 0.22 0.00 -0.67 0.00 0.00 0.00 178.15 177.79 1ap4 n ASP 62 N -4.81 0.00 -0.11 1.72 2.03 0.16 0.40 116.55 115.95 1ap4 n ASP 62 Ca -0.06 0.45 -0.14 0.00 0.52 0.00 0.00 54.79 55.56 1ap4 n ASP 62 Cb 0.19 -0.46 -0.14 0.00 -0.72 0.00 0.00 41.12 39.99 1ap4 n ASP 62 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1ap4 n GLU 63 N -1.46 0.67 0.00 -0.67 4.07 -0.89 -4.42 120.64 117.94 1ap4 n GLU 63 Ca 0.02 0.09 0.10 0.00 -0.06 0.00 0.00 57.16 57.31 1ap4 n GLU 63 Cb 0.07 -1.54 -0.05 0.00 -0.06 0.00 0.00 31.44 29.86 1ap4 n GLU 63 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62 1ap4 n VAL 64 N -3.03 0.01 -1.66 6.31 3.14 -0.54 -4.93 118.33 117.62 1ap4 n VAL 64 Ca -0.38 -0.04 -0.52 0.00 -2.96 0.00 0.00 64.34 60.43 1ap4 n VAL 64 Cb 1.07 0.78 -0.06 0.00 -1.06 0.00 0.00 33.84 34.57 1ap4 n VAL 64 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1ap4 n ASP 65 N -1.57 2.86 -0.22 6.55 2.03 0.16 -4.80 116.55 121.57 1ap4 n ASP 65 Ca 0.04 0.93 0.03 0.00 0.52 0.00 0.00 54.79 56.31 1ap4 n ASP 65 Cb 0.35 -1.27 0.07 0.00 -0.72 0.00 0.00 41.12 39.55 1ap4 n ASP 65 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ap4 n GLU 66 N 6.40 2.80 0.00 -0.67 1.02 -1.26 -4.56 120.64 124.37 1ap4 n GLU 66 Ca 0.27 -1.81 0.00 0.00 -0.02 0.00 0.00 57.16 55.59 1ap4 n GLU 66 Cb 0.22 -1.16 0.00 0.00 -0.02 0.00 0.00 31.44 30.48 1ap4 n GLU 66 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1ap4 n ASP 67 N -0.32 1.12 -4.21 1.62 5.68 -1.26 -5.00 116.55 114.17 1ap4 n ASP 67 Ca 0.06 -1.56 -0.33 0.00 -0.50 0.00 0.00 54.79 52.46 1ap4 n ASP 67 Cb 0.36 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.29 1ap4 n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ap4 n GLY 68 N -0.28 -0.29 0.06 6.12 0.00 -1.26 -4.82 105.19 104.72 1ap4 n GLY 68 Ca 0.00 0.14 -0.08 0.00 0.00 0.00 0.00 46.02 46.08 1ap4 n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ap4 n SER 69 N -2.78 2.83 0.00 1.61 3.41 -1.26 -5.02 113.62 112.41 1ap4 n SER 69 Ca -0.13 -0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 1ap4 n SER 69 Cb 0.59 0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 1ap4 n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ap4 n GLY 70 N 2.73 2.74 3.84 5.00 0.00 -1.26 -5.06 105.19 113.18 1ap4 n GLY 70 Ca -0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 1ap4 n GLY 70 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ap4 n THR 71 N -0.71 0.00 -4.00 2.61 -2.24 -1.26 -4.54 114.28 104.14 1ap4 n THR 71 Ca 0.00 -1.41 -0.31 0.00 -2.27 0.00 0.00 64.05 60.06 1ap4 n THR 71 Cb 0.00 -1.05 -0.15 0.00 -2.10 0.00 0.00 70.33 67.03 1ap4 n THR 71 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1ap4 s VAL 72 N -3.26 2.03 0.73 2.28 1.01 0.20 -4.96 120.40 118.44 1ap4 s VAL 72 Ca 0.68 -1.89 -0.02 0.00 0.00 0.00 0.00 61.98 60.75 1ap4 s VAL 72 Cb -0.03 -2.36 0.15 0.00 0.00 0.00 0.00 36.38 34.14 1ap4 s VAL 72 CO 0.46 -0.35 1.00 -0.90 0.00 0.00 0.00 175.10 175.30 1ap4 n ASP 73 N 4.41 1.20 -0.34 3.32 5.75 -1.26 -2.43 116.55 127.20 1ap4 n ASP 73 Ca -0.04 -2.05 0.11 0.00 -0.01 0.00 0.00 54.79 52.80 1ap4 n ASP 73 Cb 0.42 -0.66 0.31 0.00 -1.03 0.00 0.00 41.12 40.16 1ap4 n ASP 73 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 1ap4 h PHE 74 N -0.71 1.03 0.64 2.11 3.57 -1.97 1.82 116.94 123.44 1ap4 h PHE 74 Ca -0.33 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.17 1ap4 h PHE 74 Cb 1.18 -0.32 0.01 0.00 2.79 0.00 0.00 35.95 39.61 1ap4 h PHE 74 CO 0.00 0.32 -0.31 0.22 -2.23 0.00 0.00 178.31 176.31 1ap4 h ASP 75 N 0.81 -0.73 0.01 0.41 1.82 -2.00 -2.49 116.42 114.25 1ap4 h ASP 75 Ca 0.52 0.00 -0.10 0.00 -0.39 0.00 0.00 57.03 57.07 1ap4 h ASP 75 Cb 0.75 0.19 0.01 0.00 0.68 0.00 0.00 39.33 40.96 1ap4 h ASP 75 CO -0.30 -0.47 -0.39 -0.33 -1.61 0.00 0.00 179.24 176.14 1ap4 h GLU 76 N -0.94 0.25 -0.81 0.28 5.08 -1.74 -2.81 114.58 113.90 1ap4 h GLU 76 Ca -0.09 -0.28 0.15 0.00 -1.00 0.00 0.00 59.36 58.14 1ap4 h GLU 76 Cb 0.69 0.08 -0.15 0.00 0.50 0.00 0.00 28.75 29.87 1ap4 h GLU 76 CO 0.15 1.00 -0.27 0.35 -1.00 0.00 0.00 179.01 179.23 1ap4 h PHE 77 N -0.38 -0.69 0.47 4.33 3.57 0.27 0.31 116.94 124.83 1ap4 h PHE 77 Ca -0.05 0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1ap4 h PHE 77 Cb 1.14 0.42 0.00 0.00 2.79 0.00 0.00 35.95 40.31 1ap4 h PHE 77 CO 0.17 -0.37 -0.23 -0.07 -2.23 0.00 0.00 178.31 175.58 1ap4 h LEU 78 N -0.04 -0.54 -1.72 0.59 3.38 -1.53 -2.67 115.31 112.78 1ap4 h LEU 78 Ca 0.35 -0.06 0.24 0.00 0.09 0.00 0.00 57.88 58.50 1ap4 h LEU 78 Cb 0.59 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 1ap4 h LEU 78 CO -0.84 -0.12 0.80 0.58 0.09 0.00 0.00 178.44 178.94 1ap4 h VAL 79 N -1.08 0.26 0.03 1.22 2.07 -1.13 0.60 116.25 118.22 1ap4 h VAL 79 Ca -0.06 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 67.19 1ap4 h VAL 79 Cb 0.56 0.38 0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1ap4 h VAL 79 CO 0.11 0.00 -1.06 -0.03 0.02 0.00 0.00 177.57 176.61 1ap4 h MET 80 N 0.00 0.59 0.39 1.57 4.05 -0.24 -3.04 114.93 118.26 1ap4 h MET 80 Ca 0.39 -0.67 -0.02 0.00 -0.28 0.00 0.00 59.70 59.12 1ap4 h MET 80 Cb 1.98 0.20 0.00 0.00 -0.80 0.00 0.00 31.60 32.98 1ap4 h MET 80 CO -0.00 1.27 -0.19 0.52 0.23 0.00 0.00 176.91 178.74 1ap4 h MET 81 N 0.32 -0.51 -0.70 0.39 2.07 0.53 -2.69 114.93 114.34 1ap4 h MET 81 Ca -0.13 0.03 0.20 0.00 -2.07 0.00 0.00 59.70 57.74 1ap4 h MET 81 Cb 1.71 0.12 -0.03 0.00 -1.87 0.00 0.00 31.60 31.53 1ap4 h MET 81 CO 0.20 -0.20 0.62 -0.24 1.07 0.00 0.00 176.91 178.37 1ap4 h VAL 82 N -0.93 0.40 -0.16 -2.22 3.04 -1.48 0.26 116.25 115.15 1ap4 h VAL 82 Ca -0.05 0.00 -0.21 0.00 -1.01 0.00 0.00 66.70 65.43 1ap4 h VAL 82 Cb 0.55 0.53 0.01 0.00 -2.01 0.00 0.00 31.29 30.37 1ap4 h VAL 82 CO 0.09 0.00 -0.71 0.03 -1.01 0.00 0.00 177.57 175.97 1ap4 h ARG 83 N 0.00 0.76 -0.01 4.17 3.08 -1.38 -3.02 114.38 117.98 1ap4 h ARG 83 Ca 0.33 -0.60 0.00 0.00 0.07 0.00 0.00 59.98 59.78 1ap4 h ARG 83 Cb 1.57 0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.75 1ap4 h ARG 83 CO -0.00 1.22 -0.04 0.00 -1.07 0.00 0.00 179.97 180.07 1ap4 h MET 85 N 0.96 0.00 -5.12 0.00 2.86 -0.90 -3.50 114.93 109.23 1ap4 h MET 85 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1ap4 h MET 85 Cb 0.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.94 1ap4 h MET 85 CO 0.00 0.00 -0.61 1.63 1.06 0.00 0.00 176.91 178.99 1ap4 n LYS 86 N -3.16 -2.58 0.00 1.72 4.76 -1.20 -5.02 118.16 112.67 1ap4 n LYS 86 Ca -0.01 2.24 0.00 0.00 -2.87 0.00 0.00 58.31 57.66 1ap4 n LYS 86 Cb 0.05 -5.39 0.00 0.00 -1.84 0.00 0.00 35.03 27.85 1ap4 n LYS 86 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1ap4 n ASP 87 N -0.02 0.00 -4.26 4.39 8.00 -1.26 -5.11 116.55 118.28 1ap4 n ASP 87 Ca 0.08 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.21 1ap4 n ASP 87 Cb 0.31 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.44 1ap4 n ASP 87 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1ap4 n ASP 88 N -0.62 -3.39 0.00 -2.24 5.75 -1.26 -5.31 116.55 109.48 1ap4 n ASP 88 Ca 0.00 0.54 0.00 0.00 -0.01 0.00 0.00 54.79 55.32 1ap4 n ASP 88 Cb 0.00 -0.94 0.00 0.00 -1.03 0.00 0.00 41.12 39.15 1ap4 n ASP 88 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89