#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 2.28 -0.16 7.83 8.00 -1.26 -4.77 116.55 128.47 1ap4 n ASP 2 Ca 0.00 0.64 0.02 0.00 0.71 0.00 0.00 54.79 56.16 1ap4 n ASP 2 Cb 0.00 -1.23 0.02 0.00 -0.02 0.00 0.00 41.12 39.89 1ap4 n ASP 2 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1ap4 n ASP 3 N 8.34 1.46 0.07 -2.24 -0.08 -1.26 -4.58 116.55 118.25 1ap4 n ASP 3 Ca 0.36 -1.28 0.06 0.00 -1.51 0.00 0.00 54.79 52.42 1ap4 n ASP 3 Cb 0.20 -0.01 0.31 0.00 2.34 0.00 0.00 41.12 43.96 1ap4 n ASP 3 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 1ap4 n ILE 4 N 0.15 1.33 0.00 5.18 -6.64 -1.26 -2.28 119.36 115.85 1ap4 n ILE 4 Ca 0.02 0.47 -0.22 0.00 -1.77 0.00 0.00 62.75 61.25 1ap4 n ILE 4 Cb 0.13 -1.40 -0.14 0.00 -1.44 0.00 0.00 39.64 36.79 1ap4 n ILE 4 CO 0.00 0.00 0.00 1.88 -1.77 0.00 0.00 176.55 176.66 1ap4 h TYR 5 N 0.00 0.46 -0.36 4.28 0.05 -1.99 -3.02 116.97 116.39 1ap4 h TYR 5 Ca 0.00 -0.33 0.10 0.00 0.05 0.00 0.00 58.73 58.55 1ap4 h TYR 5 Cb 0.11 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 37.82 1ap4 h TYR 5 CO 0.00 1.72 0.29 0.87 -1.05 0.00 0.00 178.16 179.99 1ap4 h LYS 6 N -0.08 0.00 0.12 4.88 1.57 -1.76 -1.40 116.57 119.89 1ap4 h LYS 6 Ca -0.40 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.10 1ap4 h LYS 6 Cb 1.94 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.24 1ap4 h LYS 6 CO 0.06 0.00 -1.48 0.00 -0.57 0.00 0.00 179.45 177.47 1ap4 h ALA 7 N 1.76 0.19 -0.42 3.86 0.00 -1.68 -3.31 119.26 119.66 1ap4 h ALA 7 Ca 0.17 -1.11 0.11 0.00 0.00 0.00 0.00 54.91 54.08 1ap4 h ALA 7 Cb 0.75 0.49 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1ap4 h ALA 7 CO -0.00 0.87 0.30 0.00 0.00 0.00 0.00 179.25 180.42 1ap4 h ALA 8 N -0.03 2.32 0.12 0.00 0.00 -1.21 -2.18 119.26 118.27 1ap4 h ALA 8 Ca -0.32 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1ap4 h ALA 8 Cb 1.80 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.61 1ap4 h ALA 8 CO 0.07 -0.43 -0.06 0.28 0.00 0.00 0.00 179.25 179.11 1ap4 h VAL 9 N 0.06 1.06 -0.97 0.00 2.07 -1.39 -2.93 116.25 114.15 1ap4 h VAL 9 Ca 0.20 -0.77 0.25 0.00 0.82 0.00 0.00 66.70 67.20 1ap4 h VAL 9 Cb 0.71 1.54 -0.06 0.00 -1.52 0.00 0.00 31.29 31.96 1ap4 h VAL 9 CO -0.01 0.18 0.66 -0.33 0.02 0.00 0.00 177.57 178.09 1ap4 h GLU 10 N -0.52 0.24 -0.21 1.57 5.08 -1.48 0.31 114.58 119.57 1ap4 h GLU 10 Ca -0.02 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1ap4 h GLU 10 Cb 0.42 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1ap4 h GLU 10 CO 0.03 0.16 0.52 1.96 -1.00 0.00 0.00 179.01 180.67 1ap4 h GLN 11 N 0.25 0.00 -6.81 2.33 7.50 -1.37 -3.40 115.11 113.61 1ap4 h GLN 11 Ca 0.50 0.00 -0.51 0.00 0.50 0.00 0.00 58.65 59.15 1ap4 h GLN 11 Cb 1.53 0.00 0.02 0.00 0.05 0.00 0.00 27.48 29.08 1ap4 h GLN 11 CO -0.15 0.00 0.49 -0.51 -1.50 0.00 0.00 178.83 177.16 1ap4 s LEU 12 N -6.24 4.54 0.41 1.46 1.43 0.11 -4.99 118.68 115.41 1ap4 s LEU 12 Ca -0.03 2.29 -0.25 0.00 -1.03 0.00 0.00 54.13 55.11 1ap4 s LEU 12 Cb 0.10 -3.63 -0.08 0.00 0.03 0.00 0.00 46.19 42.61 1ap4 s LEU 12 CO 0.34 -0.17 1.18 0.42 0.23 0.00 0.00 176.35 178.36 1ap4 s THR 13 N -1.15 3.08 0.29 5.49 -4.23 -1.26 -4.79 115.64 113.07 1ap4 s THR 13 Ca 0.45 0.89 0.04 0.00 -1.18 0.00 0.00 61.69 61.89 1ap4 s THR 13 Cb -0.32 -3.50 0.28 0.00 1.34 0.00 0.00 72.50 70.30 1ap4 s THR 13 CO 0.42 0.07 1.76 1.05 -0.54 0.00 0.00 174.62 177.37 1ap4 h GLU 14 N 2.53 0.63 -0.23 3.99 4.11 -1.94 0.54 114.58 124.22 1ap4 h GLU 14 Ca -0.49 -0.04 0.07 0.00 0.07 0.00 0.00 59.36 58.97 1ap4 h GLU 14 Cb 1.24 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 1ap4 h GLU 14 CO 0.62 0.42 0.17 1.05 0.07 0.00 0.00 179.01 181.34 1ap4 h GLU 15 N 0.65 0.00 0.00 1.06 -0.00 -1.99 0.35 114.58 114.65 1ap4 h GLU 15 Ca 0.55 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.91 1ap4 h GLU 15 Cb 0.88 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.63 1ap4 h GLU 15 CO -0.41 0.00 -0.01 0.37 -0.00 0.00 0.00 179.01 178.96 1ap4 h GLN 16 N 0.00 0.00 -0.04 1.06 5.75 -0.29 -3.09 115.11 118.50 1ap4 h GLN 16 Ca 0.11 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.62 1ap4 h GLN 16 Cb 0.45 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.00 1ap4 h GLN 16 CO -0.00 0.28 0.08 0.87 -2.65 0.00 0.00 178.83 177.41 1ap4 h LYS 17 N -1.00 0.00 0.02 1.69 1.57 -1.08 -2.12 116.57 115.65 1ap4 h LYS 17 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ap4 h LYS 17 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1ap4 h LYS 17 CO -0.00 0.00 -0.01 -0.91 -0.57 0.00 0.00 179.45 177.96 1ap4 h ASN 18 N 0.00 -0.03 -1.00 0.86 2.35 -0.37 -2.84 115.58 114.56 1ap4 h ASN 18 Ca 0.02 -0.48 0.19 0.00 -0.55 0.00 0.00 56.30 55.48 1ap4 h ASN 18 Cb 0.18 0.01 -0.10 0.00 0.05 0.00 0.00 38.32 38.46 1ap4 h ASN 18 CO -0.00 0.48 0.61 -0.33 -1.65 0.00 0.00 177.43 176.54 1ap4 h GLU 19 N -0.54 0.70 -0.35 0.81 5.08 -1.29 0.21 114.58 119.20 1ap4 h GLU 19 Ca -0.00 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 1ap4 h GLU 19 Cb 0.51 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1ap4 h GLU 19 CO 0.01 0.46 -0.09 0.74 -1.00 0.00 0.00 179.01 179.13 1ap4 h PHE 20 N 0.72 0.64 -0.15 4.33 0.04 -1.48 -2.93 116.94 118.11 1ap4 h PHE 20 Ca 0.57 -0.10 0.05 0.00 2.80 0.00 0.00 57.97 61.29 1ap4 h PHE 20 Cb 0.94 -0.17 -0.07 0.00 2.20 0.00 0.00 35.95 38.85 1ap4 h PHE 20 CO -0.00 0.67 -0.40 -0.22 -0.60 0.00 0.00 178.31 177.76 1ap4 h LYS 21 N 0.55 -0.44 -0.70 1.51 3.64 -0.33 1.54 116.57 122.34 1ap4 h LYS 21 Ca 0.10 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.57 1ap4 h LYS 21 Cb 0.49 0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.36 1ap4 h LYS 21 CO 0.03 -0.29 0.40 0.00 -2.27 0.00 0.00 179.45 177.32 1ap4 h ALA 22 N 0.22 0.94 -0.05 5.00 0.00 -1.51 -2.47 119.26 121.39 1ap4 h ALA 22 Ca 0.09 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1ap4 h ALA 22 Cb 0.61 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1ap4 h ALA 22 CO -0.40 0.10 0.00 0.00 0.00 0.00 0.00 179.25 178.95 1ap4 h ALA 23 N 1.35 0.06 -0.90 0.00 0.00 -0.95 -2.97 119.26 115.86 1ap4 h ALA 23 Ca 0.31 -0.15 0.24 0.00 0.00 0.00 0.00 54.91 55.31 1ap4 h ALA 23 Cb 0.18 -0.02 -0.16 0.00 0.00 0.00 0.00 17.79 17.79 1ap4 h ALA 23 CO -0.18 -0.28 0.15 0.35 0.00 0.00 0.00 179.25 179.29 1ap4 h PHE 24 N -0.19 0.18 0.00 0.00 3.04 0.26 2.18 116.94 122.40 1ap4 h PHE 24 Ca 0.01 0.06 0.00 0.00 3.98 0.00 0.00 57.97 62.02 1ap4 h PHE 24 Cb 0.30 0.07 0.00 0.00 2.56 0.00 0.00 35.95 38.88 1ap4 h PHE 24 CO 0.02 -0.30 0.00 -0.44 -2.02 0.00 0.00 178.31 175.57 1ap4 h ASP 25 N 0.12 0.00 0.35 0.41 3.32 -1.31 -2.20 116.42 117.10 1ap4 h ASP 25 Ca 0.56 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.43 1ap4 h ASP 25 Cb 1.14 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 1ap4 h ASP 25 CO -0.75 0.00 -0.74 0.40 -1.72 0.00 0.00 179.24 176.43 1ap4 h ILE 26 N 0.00 1.40 0.07 0.35 1.08 0.36 -3.11 117.51 117.67 1ap4 h ILE 26 Ca 0.00 -2.22 -0.25 0.00 -0.39 0.00 0.00 64.86 62.01 1ap4 h ILE 26 Cb 0.21 2.17 -0.00 0.00 -3.07 0.00 0.00 36.82 36.13 1ap4 h ILE 26 CO 0.00 0.66 -1.11 -0.26 -0.69 0.00 0.00 178.15 176.75 1ap4 h PHE 27 N 0.22 0.38 -0.18 1.37 0.04 -1.22 -3.18 116.94 114.37 1ap4 h PHE 27 Ca -0.03 -0.26 -0.01 0.00 2.80 0.00 0.00 57.97 60.47 1ap4 h PHE 27 Cb 1.32 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.44 1ap4 h PHE 27 CO 0.04 1.17 0.01 1.33 -0.60 0.00 0.00 178.31 180.26 1ap4 n VAL 28 N -3.54 0.88 0.57 -0.55 0.24 -1.09 -4.09 118.33 110.75 1ap4 n VAL 28 Ca -0.06 -0.43 0.07 0.00 -2.04 0.00 0.00 64.34 61.88 1ap4 n VAL 28 Cb 0.96 -0.46 0.33 0.00 -1.47 0.00 0.00 33.84 33.20 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 0.18 0.00 -0.00 1.34 4.77 -1.18 -2.62 117.00 119.48 1ap4 n LEU 29 Ca 0.09 0.43 0.01 0.00 -0.03 0.00 0.00 56.01 56.51 1ap4 n LEU 29 Cb 0.55 -0.43 -0.02 0.00 -2.33 0.00 0.00 43.42 41.20 1ap4 n LEU 29 CO 0.10 -0.21 -0.41 0.61 -1.33 0.00 0.00 177.39 176.15 1ap4 n GLY 30 N 0.01 0.11 3.61 -0.72 0.00 -1.26 -5.04 105.19 101.90 1ap4 n GLY 30 Ca 0.05 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.94 0.72 -0.78 4.61 0.00 -1.08 -4.94 121.76 118.36 1ap4 s ALA 31 Ca -0.00 0.19 0.22 0.00 0.00 0.00 0.00 51.96 52.37 1ap4 s ALA 31 Cb 0.01 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 1ap4 s ALA 31 CO 0.09 -3.10 0.98 -0.85 0.00 0.00 0.00 175.76 172.88 1ap4 n GLU 32 N -4.43 0.16 0.00 0.00 -0.00 -1.26 -4.54 120.64 110.56 1ap4 n GLU 32 Ca 0.07 -0.02 0.00 0.00 -0.00 0.00 0.00 57.16 57.21 1ap4 n GLU 32 Cb 0.53 -1.53 0.00 0.00 -0.00 0.00 0.00 31.44 30.44 1ap4 n GLU 32 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1ap4 n ASP 33 N -1.73 3.44 0.00 -1.84 5.68 -1.26 -5.05 116.55 115.80 1ap4 n ASP 33 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.32 1ap4 n ASP 33 Cb 0.39 0.19 0.00 0.00 -1.14 0.00 0.00 41.12 40.56 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 2.72 0.54 3.71 6.12 0.00 -1.26 -5.16 105.19 111.86 1ap4 n GLY 34 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1ap4 n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ap4 n ILE 36 N -0.53 4.08 -0.84 0.00 5.41 0.44 -4.08 119.36 123.83 1ap4 n ILE 36 Ca -0.08 -5.64 -0.35 0.00 1.00 0.00 0.00 62.75 57.68 1ap4 n ILE 36 Cb 0.56 -2.09 0.10 0.00 -0.71 0.00 0.00 39.64 37.51 1ap4 n ILE 36 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1ap4 n SER 37 N 1.12 -3.08 -0.28 4.38 3.41 -1.26 -2.54 113.62 115.37 1ap4 n SER 37 Ca 0.28 0.04 -0.06 0.00 -0.26 0.00 0.00 58.87 58.86 1ap4 n SER 37 Cb 0.36 -0.84 0.06 0.00 -0.26 0.00 0.00 64.21 63.54 1ap4 n SER 37 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1ap4 h THR 38 N -1.51 1.26 -1.03 6.66 1.35 -1.94 -2.51 112.91 115.19 1ap4 h THR 38 Ca -0.46 -0.89 0.26 0.00 -0.55 0.00 0.00 66.41 64.77 1ap4 h THR 38 Cb 1.35 0.39 -0.11 0.00 -1.73 0.00 0.00 68.15 68.04 1ap4 h THR 38 CO 0.30 0.35 0.64 0.50 -0.25 0.00 0.00 175.52 177.06 1ap4 h LYS 39 N 1.14 0.46 -1.09 4.72 3.64 -1.92 0.34 116.57 123.86 1ap4 h LYS 39 Ca 0.25 -0.03 -0.61 0.00 -1.27 0.00 0.00 60.65 58.99 1ap4 h LYS 39 Cb 0.28 -0.10 -0.26 0.00 -0.41 0.00 0.00 32.23 31.73 1ap4 h LYS 39 CO -0.01 0.31 0.79 -1.91 -2.27 0.00 0.00 179.45 176.36 1ap4 n GLU 40 N -4.76 2.52 0.00 1.90 4.07 -0.95 -4.30 120.64 119.13 1ap4 n GLU 40 Ca 0.27 -2.98 0.00 0.00 -0.06 0.00 0.00 57.16 54.38 1ap4 n GLU 40 Cb 0.83 -2.17 0.00 0.00 -0.06 0.00 0.00 31.44 30.04 1ap4 n GLU 40 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1ap4 n LEU 41 N -0.71 2.42 0.52 4.31 -0.00 0.12 -4.51 117.00 119.15 1ap4 n LEU 41 Ca 0.57 0.00 -0.20 0.00 -0.00 0.00 0.00 56.01 56.38 1ap4 n LEU 41 Cb 0.68 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 44.00 1ap4 n LEU 41 CO 0.72 0.40 0.53 1.23 -0.00 0.00 0.00 177.39 180.28 1ap4 h GLY 42 N 0.00 -1.39 1.63 -3.96 0.00 -1.74 0.22 103.07 97.82 1ap4 h GLY 42 Ca 0.00 0.51 0.04 0.00 0.00 0.00 0.00 47.33 47.89 1ap4 h GLY 42 CO 0.00 -0.51 0.15 0.50 0.00 0.00 0.00 176.54 176.68 1ap4 h LYS 43 N -1.34 0.00 0.23 4.80 1.57 -1.88 -2.73 116.57 117.23 1ap4 h LYS 43 Ca -0.14 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1ap4 h LYS 43 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.33 1ap4 h LYS 43 CO 0.22 0.00 -0.11 0.28 -0.57 0.00 0.00 179.45 179.27 1ap4 h VAL 44 N 0.00 0.32 -0.48 0.50 2.07 -1.62 -3.16 116.25 113.89 1ap4 h VAL 44 Ca 0.07 -0.91 0.14 0.00 0.82 0.00 0.00 66.70 66.82 1ap4 h VAL 44 Cb 0.36 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1ap4 h VAL 44 CO -0.00 0.09 0.71 0.24 0.02 0.00 0.00 177.57 178.62 1ap4 h MET 45 N -1.02 0.00 -0.10 1.57 2.86 -0.29 0.32 114.93 118.27 1ap4 h MET 45 Ca -0.03 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.42 1ap4 h MET 45 Cb 0.39 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.06 1ap4 h MET 45 CO 0.05 0.00 -0.67 0.00 1.06 0.00 0.00 176.91 177.35 1ap4 h ARG 46 N 0.00 0.63 0.21 1.72 3.08 -1.45 0.94 114.38 119.50 1ap4 h ARG 46 Ca 0.23 -0.54 -0.34 0.00 0.07 0.00 0.00 59.98 59.39 1ap4 h ARG 46 Cb 1.63 0.12 0.02 0.00 0.08 0.00 0.00 29.97 31.83 1ap4 h ARG 46 CO -0.00 1.16 -1.64 0.00 -1.07 0.00 0.00 179.97 178.42 1ap4 h MET 47 N 0.27 0.44 -0.72 0.04 -0.00 -0.49 -3.30 114.93 111.17 1ap4 h MET 47 Ca -0.06 -0.75 0.21 0.00 -0.00 0.00 0.00 59.70 59.11 1ap4 h MET 47 Cb 1.32 0.28 -0.03 0.00 -0.00 0.00 0.00 31.60 33.17 1ap4 h MET 47 CO 0.14 1.35 0.55 -0.07 -0.00 0.00 0.00 176.91 178.87 1ap4 h LEU 48 N 0.12 0.00 0.00 -0.10 3.38 -0.93 -3.43 115.31 114.35 1ap4 h LEU 48 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1ap4 h LEU 48 Cb 2.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.87 1ap4 h LEU 48 CO 0.21 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.35 1ap4 n GLY 49 N -1.66 -0.30 3.91 0.83 0.00 -1.20 -5.08 105.19 101.70 1ap4 n GLY 49 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 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 2.33 -0.42 1.61 1.11 0.32 -5.00 119.66 119.61 1ap4 s GLN 50 Ca 0.00 -1.84 0.09 0.00 0.01 0.00 0.00 55.36 53.61 1ap4 s GLN 50 Cb 0.00 -2.25 0.31 0.00 -1.01 0.00 0.00 33.01 30.06 1ap4 s GLN 50 CO 0.00 -0.55 0.85 0.09 0.01 0.00 0.00 175.29 175.69 1ap4 n ASN 51 N -1.78 -0.86 -4.76 5.90 4.13 -1.24 -3.13 115.26 113.51 1ap4 n ASN 51 Ca 0.02 -3.24 -0.29 0.00 1.68 0.00 0.00 54.58 52.76 1ap4 n ASN 51 Cb 0.63 0.58 0.14 0.00 -1.54 0.00 0.00 39.78 39.60 1ap4 n ASN 51 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1ap4 s PRO 52 N -0.90 0.98 0.49 3.52 0.04 -1.26 -5.05 135.00 132.82 1ap4 s PRO 52 Ca 0.32 0.33 0.05 0.00 0.04 0.00 0.00 61.00 61.74 1ap4 s PRO 52 Cb 0.29 -1.82 0.03 0.00 0.04 0.00 0.00 34.50 33.04 1ap4 s PRO 52 CO -0.10 -2.31 0.67 0.95 0.04 0.00 0.00 177.00 176.25 1ap4 s THR 53 N -3.22 2.80 -0.03 1.26 -4.23 -1.26 -5.00 115.64 105.96 1ap4 s THR 53 Ca 0.64 -0.87 -0.24 0.00 -1.18 0.00 0.00 61.69 60.04 1ap4 s THR 53 Cb -0.16 -2.93 -0.20 0.00 1.34 0.00 0.00 72.50 70.55 1ap4 s THR 53 CO 0.54 0.00 1.17 1.55 -0.54 0.00 0.00 174.62 177.34 1ap4 h PRO 54 N 0.37 0.14 0.00 3.99 0.13 -1.99 -2.87 132.00 131.77 1ap4 h PRO 54 Ca -0.40 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1ap4 h PRO 54 Cb 1.29 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1ap4 h PRO 54 CO 0.47 0.73 0.00 0.39 -0.23 0.00 0.00 178.00 179.36 1ap4 n GLU 55 N -4.65 0.17 0.03 0.86 1.02 -1.26 -1.92 120.64 114.89 1ap4 n GLU 55 Ca -0.08 0.52 -0.02 0.00 -0.02 0.00 0.00 57.16 57.56 1ap4 n GLU 55 Cb 0.38 -1.91 -0.09 0.00 -0.02 0.00 0.00 31.44 29.80 1ap4 n GLU 55 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1ap4 h GLU 56 N 0.00 0.00 0.00 3.49 3.07 -1.94 -3.36 114.58 115.84 1ap4 h GLU 56 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1ap4 h GLU 56 Cb 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 1ap4 h GLU 56 CO 0.00 0.37 0.00 1.28 -1.40 0.00 0.00 179.01 179.26 1ap4 n LEU 57 N -2.97 0.00 -0.04 1.33 4.32 -0.81 0.57 117.00 119.40 1ap4 n LEU 57 Ca -0.10 0.87 -0.08 0.00 -0.02 0.00 0.00 56.01 56.69 1ap4 n LEU 57 Cb 0.88 -0.37 -0.02 0.00 -1.62 0.00 0.00 43.42 42.29 1ap4 n LEU 57 CO 0.43 -0.37 0.75 -0.61 -1.22 0.00 0.00 177.39 176.37 1ap4 h GLN 58 N 0.00 -0.16 -0.93 3.23 5.75 -1.78 -0.40 115.11 120.83 1ap4 h GLN 58 Ca 0.00 0.01 0.23 0.00 -0.15 0.00 0.00 58.65 58.74 1ap4 h GLN 58 Cb 0.00 0.04 -0.13 0.00 1.07 0.00 0.00 27.48 28.46 1ap4 h GLN 58 CO 0.00 -0.11 0.44 0.93 -2.65 0.00 0.00 178.83 177.45 1ap4 h GLU 59 N -0.17 0.42 0.00 1.69 5.08 -1.49 2.22 114.58 122.33 1ap4 h GLU 59 Ca 0.13 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.38 1ap4 h GLU 59 Cb 0.36 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1ap4 h GLU 59 CO -0.33 0.28 -0.39 0.52 -1.00 0.00 0.00 179.01 178.09 1ap4 h MET 60 N 0.43 0.00 -0.01 2.33 2.86 0.14 -3.21 114.93 117.47 1ap4 h MET 60 Ca 0.59 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.23 1ap4 h MET 60 Cb 1.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.79 1ap4 h MET 60 CO -0.52 0.39 -0.55 -0.89 1.06 0.00 0.00 176.91 176.40 1ap4 n ILE 61 N -3.29 0.00 -0.59 -1.22 5.41 0.13 -4.23 119.36 115.57 1ap4 n ILE 61 Ca 0.01 -0.23 0.08 0.00 1.00 0.00 0.00 62.75 63.61 1ap4 n ILE 61 Cb 0.62 1.18 0.36 0.00 -0.71 0.00 0.00 39.64 41.09 1ap4 n ILE 61 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1ap4 n ASP 62 N -0.39 4.92 0.00 4.38 -0.08 0.71 -3.50 116.55 122.58 1ap4 n ASP 62 Ca 0.07 -2.63 0.00 0.00 -1.51 0.00 0.00 54.79 50.73 1ap4 n ASP 62 Cb 0.40 -0.62 0.00 0.00 2.34 0.00 0.00 41.12 43.24 1ap4 n ASP 62 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1ap4 n GLU 63 N 0.83 2.34 -0.00 -0.67 0.28 -1.25 -4.79 120.64 117.37 1ap4 n GLU 63 Ca 0.25 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.31 1ap4 n GLU 63 Cb 0.98 -0.82 -0.09 0.00 1.43 0.00 0.00 31.44 32.94 1ap4 n GLU 63 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 1ap4 n VAL 64 N -1.16 0.00 -1.79 3.84 3.14 -1.26 -4.82 118.33 116.28 1ap4 n VAL 64 Ca 0.00 -0.27 -0.24 0.00 -2.96 0.00 0.00 64.34 60.87 1ap4 n VAL 64 Cb 0.13 0.42 -0.08 0.00 -1.06 0.00 0.00 33.84 33.25 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 -1.76 2.35 0.12 6.55 2.03 -1.23 -4.65 116.55 119.97 1ap4 n ASP 65 Ca -0.01 -2.62 0.12 0.00 0.52 0.00 0.00 54.79 52.80 1ap4 n ASP 65 Cb 0.29 -1.67 0.48 0.00 -0.72 0.00 0.00 41.12 39.50 1ap4 n ASP 65 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1ap4 n GLU 66 N 8.15 0.19 0.17 -0.67 0.28 -1.26 -2.38 120.64 125.13 1ap4 n GLU 66 Ca 0.44 0.41 0.13 0.00 -0.16 0.00 0.00 57.16 57.98 1ap4 n GLU 66 Cb 0.46 -1.85 0.57 0.00 1.43 0.00 0.00 31.44 32.06 1ap4 n GLU 66 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1ap4 h ASP 67 N 0.00 0.00 -2.50 -1.84 3.32 -1.94 -3.46 116.42 110.00 1ap4 h ASP 67 Ca 0.00 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.70 1ap4 h ASP 67 Cb 0.37 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 1ap4 h ASP 67 CO 0.00 0.00 -0.45 0.61 -1.72 0.00 0.00 179.24 177.68 1ap4 n GLY 68 N -0.19 -0.35 0.43 2.75 0.00 -1.00 -4.87 105.19 101.96 1ap4 n GLY 68 Ca 0.01 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.34 1.67 0.00 1.61 3.41 -1.26 -5.03 113.62 112.67 1ap4 n SER 69 Ca -0.21 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 1ap4 n SER 69 Cb 0.66 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 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 2.56 1.17 3.90 5.00 0.00 -1.26 -5.10 105.19 111.45 1ap4 n GLY 70 Ca -0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 1ap4 n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ap4 s THR 71 N -2.00 5.25 -0.28 2.61 -4.23 -1.26 -3.90 115.64 111.83 1ap4 s THR 71 Ca 0.00 -0.47 -0.05 0.00 -1.18 0.00 0.00 61.69 59.99 1ap4 s THR 71 Cb 0.00 -3.56 0.01 0.00 1.34 0.00 0.00 72.50 70.29 1ap4 s THR 71 CO 0.00 0.12 0.04 -0.69 -0.54 0.00 0.00 174.62 173.55 1ap4 s VAL 72 N -1.51 3.64 0.26 2.29 1.01 -1.05 -4.89 120.40 120.16 1ap4 s VAL 72 Ca 0.34 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.58 1ap4 s VAL 72 Cb -0.13 -2.86 0.05 0.00 0.00 0.00 0.00 36.38 33.44 1ap4 s VAL 72 CO 0.27 0.13 0.36 -0.90 0.00 0.00 0.00 175.10 174.96 1ap4 n ASP 73 N 4.81 0.81 0.21 3.32 5.68 -1.26 -0.42 116.55 129.69 1ap4 n ASP 73 Ca -0.15 -1.61 0.15 0.00 -0.50 0.00 0.00 54.79 52.68 1ap4 n ASP 73 Cb 0.48 -0.21 0.79 0.00 -1.14 0.00 0.00 41.12 41.04 1ap4 n ASP 73 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1ap4 h PHE 74 N -0.10 0.00 0.40 2.11 3.57 -1.97 1.06 116.94 122.01 1ap4 h PHE 74 Ca -0.12 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.36 1ap4 h PHE 74 Cb 0.53 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.27 1ap4 h PHE 74 CO 0.00 0.00 -0.19 -0.44 -2.23 0.00 0.00 178.31 175.45 1ap4 h ASP 75 N 0.00 -0.46 -0.06 0.41 5.19 -2.01 -3.10 116.42 116.39 1ap4 h ASP 75 Ca 0.07 0.02 -0.17 0.00 -0.62 0.00 0.00 57.03 56.33 1ap4 h ASP 75 Cb 0.37 0.12 -0.00 0.00 0.18 0.00 0.00 39.33 39.99 1ap4 h ASP 75 CO -0.00 -0.09 -0.54 -0.33 -3.12 0.00 0.00 179.24 175.16 1ap4 h GLU 76 N -1.01 0.65 -0.95 3.56 5.08 -1.86 -3.07 114.58 116.98 1ap4 h GLU 76 Ca -0.05 -0.40 0.22 0.00 -1.00 0.00 0.00 59.36 58.12 1ap4 h GLU 76 Cb 0.41 0.05 -0.12 0.00 0.50 0.00 0.00 28.75 29.59 1ap4 h GLU 76 CO 0.09 1.02 0.52 0.35 -1.00 0.00 0.00 179.01 179.99 1ap4 h PHE 77 N 0.50 0.88 0.10 4.33 3.57 0.11 -0.71 116.94 125.71 1ap4 h PHE 77 Ca 0.01 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 1ap4 h PHE 77 Cb 1.10 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.60 1ap4 h PHE 77 CO 0.05 0.07 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.08 1ap4 h LEU 78 N 0.56 -0.11 -0.39 0.59 3.38 -1.48 -3.31 115.31 114.55 1ap4 h LEU 78 Ca 0.59 -0.47 0.08 0.00 0.09 0.00 0.00 57.88 58.17 1ap4 h LEU 78 Cb 1.06 0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.75 1ap4 h LEU 78 CO -0.47 0.51 -0.29 0.58 0.09 0.00 0.00 178.44 178.86 1ap4 h VAL 79 N -0.83 0.28 -1.59 1.22 2.07 -1.30 0.38 116.25 116.48 1ap4 h VAL 79 Ca -0.01 0.00 0.46 0.00 0.82 0.00 0.00 66.70 67.97 1ap4 h VAL 79 Cb 0.58 0.28 -0.06 0.00 -1.52 0.00 0.00 31.29 30.56 1ap4 h VAL 79 CO 0.02 0.00 1.14 -0.03 0.02 0.00 0.00 177.57 178.72 1ap4 h MET 80 N -0.23 0.00 0.04 1.57 4.05 -1.26 0.23 114.93 119.34 1ap4 h MET 80 Ca 0.18 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.60 1ap4 h MET 80 Cb 0.51 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.31 1ap4 h MET 80 CO -0.52 0.00 -0.02 0.52 0.23 0.00 0.00 176.91 177.12 1ap4 h MET 81 N 0.00 -0.05 -0.61 0.39 2.07 -0.34 -3.26 114.93 113.13 1ap4 h MET 81 Ca 0.75 0.00 0.18 0.00 -2.07 0.00 0.00 59.70 58.56 1ap4 h MET 81 Cb 3.03 0.01 -0.02 0.00 -1.87 0.00 0.00 31.60 32.75 1ap4 h MET 81 CO -0.01 -0.04 0.61 -0.24 1.07 0.00 0.00 176.91 178.31 1ap4 h VAL 82 N -0.37 0.34 0.55 -2.22 3.04 -0.96 -0.91 116.25 115.72 1ap4 h VAL 82 Ca -0.01 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.66 1ap4 h VAL 82 Cb 0.04 0.52 -0.00 0.00 -2.01 0.00 0.00 31.29 29.84 1ap4 h VAL 82 CO 0.01 0.00 -0.33 0.03 -1.01 0.00 0.00 177.57 176.27 1ap4 h ARG 83 N 0.00 -0.79 0.00 4.17 2.47 -0.65 -1.60 114.38 117.98 1ap4 h ARG 83 Ca 0.29 0.05 0.00 0.00 -1.26 0.00 0.00 59.98 59.07 1ap4 h ARG 83 Cb 1.52 0.18 0.00 0.00 -1.65 0.00 0.00 29.97 30.02 1ap4 h ARG 83 CO -0.00 -0.53 0.00 0.00 0.56 0.00 0.00 179.97 180.00 1ap4 n MET 85 N -2.05 2.94 -1.63 0.00 2.81 -0.68 -4.89 117.12 113.63 1ap4 n MET 85 Ca 0.03 -2.16 -0.36 0.00 -1.81 0.00 0.00 57.70 53.40 1ap4 n MET 85 Cb 0.26 -1.68 -0.03 0.00 -0.71 0.00 0.00 33.22 31.05 1ap4 n MET 85 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1ap4 s LYS 86 N -1.66 2.16 1.18 0.03 1.02 -0.76 -4.94 119.74 116.77 1ap4 s LYS 86 Ca 0.39 1.28 -0.18 0.00 0.02 0.00 0.00 55.97 57.48 1ap4 s LYS 86 Cb 0.24 -4.56 0.28 0.00 -0.52 0.00 0.00 37.83 33.26 1ap4 s LYS 86 CO 0.20 -3.23 1.10 0.34 -0.92 0.00 0.00 175.35 172.85 1ap4 s ASP 87 N 11.63 1.10 0.00 2.83 2.15 -1.26 -4.92 116.67 128.19 1ap4 s ASP 87 Ca 0.93 0.72 0.28 0.00 0.43 0.00 0.00 52.55 54.91 1ap4 s ASP 87 Cb -0.16 -1.03 1.13 0.00 -0.30 0.00 0.00 42.92 42.55 1ap4 s ASP 87 CO 0.25 -4.02 1.81 -0.67 -0.17 0.00 0.00 175.17 172.37 1ap4 n ASP 88 N -4.70 0.36 0.00 -0.34 -0.08 -1.26 -5.24 116.55 105.28 1ap4 n ASP 88 Ca 0.12 -0.28 0.00 0.00 -1.51 0.00 0.00 54.79 53.12 1ap4 n ASP 88 Cb 0.59 -0.12 0.00 0.00 2.34 0.00 0.00 41.12 43.93 1ap4 n ASP 88 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08