#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 -2.50 -2.12 6.12 -0.08 -1.26 -5.10 116.55 111.62 1ap4 n ASP 2 Ca 0.00 -3.58 0.00 0.00 -1.51 0.00 0.00 54.79 49.70 1ap4 n ASP 2 Cb 0.00 1.89 0.00 0.00 2.34 0.00 0.00 41.12 45.35 1ap4 n ASP 2 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1ap4 n ASP 3 N 0.75 -9.18 0.02 1.67 8.00 -1.26 -5.03 116.55 111.52 1ap4 n ASP 3 Ca 0.07 1.43 0.00 0.00 0.71 0.00 0.00 54.79 57.00 1ap4 n ASP 3 Cb 0.68 -5.21 0.00 0.00 -0.02 0.00 0.00 41.12 36.57 1ap4 n ASP 3 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1ap4 n ILE 4 N 1.88 0.27 0.22 0.53 -0.00 -1.26 -4.70 119.36 116.30 1ap4 n ILE 4 Ca 0.00 0.09 0.05 0.00 -0.00 0.00 0.00 62.75 62.89 1ap4 n ILE 4 Cb 0.00 -1.02 0.48 0.00 -0.00 0.00 0.00 39.64 39.10 1ap4 n ILE 4 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.55 178.43 1ap4 h TYR 5 N 0.00 0.00 -0.85 1.39 0.05 -2.00 -2.34 116.97 113.23 1ap4 h TYR 5 Ca 0.00 -0.00 0.12 0.00 0.05 0.00 0.00 58.73 58.90 1ap4 h TYR 5 Cb 0.00 -0.00 -0.08 0.00 1.01 0.00 0.00 36.73 37.66 1ap4 h TYR 5 CO 0.00 0.22 0.47 0.87 -1.05 0.00 0.00 178.16 178.67 1ap4 h LYS 6 N 0.00 0.71 -0.16 4.88 1.57 -1.98 -1.16 116.57 120.44 1ap4 h LYS 6 Ca -0.00 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 1ap4 h LYS 6 Cb 0.38 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 1ap4 h LYS 6 CO 0.03 0.47 -0.15 0.00 -0.57 0.00 0.00 179.45 179.23 1ap4 h ALA 7 N 1.51 0.23 -0.56 3.86 0.00 -1.70 -0.40 119.26 122.19 1ap4 h ALA 7 Ca 0.44 -0.33 0.11 0.00 0.00 0.00 0.00 54.91 55.13 1ap4 h ALA 7 Cb 0.51 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.17 1ap4 h ALA 7 CO -0.30 0.11 0.06 0.00 0.00 0.00 0.00 179.25 179.12 1ap4 h ALA 8 N 0.62 0.60 0.02 0.00 0.00 -1.17 0.97 119.26 120.30 1ap4 h ALA 8 Ca 0.03 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1ap4 h ALA 8 Cb 0.68 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1ap4 h ALA 8 CO 0.04 -0.35 -0.01 0.28 0.00 0.00 0.00 179.25 179.21 1ap4 h VAL 9 N 0.18 1.42 0.00 0.00 2.07 -1.23 -3.04 116.25 115.65 1ap4 h VAL 9 Ca 0.29 -1.35 -0.00 0.00 0.82 0.00 0.00 66.70 66.46 1ap4 h VAL 9 Cb 0.44 2.32 -0.00 0.00 -1.52 0.00 0.00 31.29 32.53 1ap4 h VAL 9 CO -0.42 0.34 -0.00 -0.08 0.02 0.00 0.00 177.57 177.43 1ap4 h GLU 10 N -0.61 0.00 0.00 1.57 4.22 -0.62 -1.17 114.58 117.98 1ap4 h GLU 10 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1ap4 h GLU 10 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1ap4 h GLU 10 CO 0.00 0.00 0.00 1.96 -2.18 0.00 0.00 179.01 178.80 1ap4 h GLN 11 N 0.00 0.00 -6.72 1.92 4.20 0.11 -3.43 115.11 111.18 1ap4 h GLN 11 Ca -0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 1ap4 h GLN 11 Cb 0.12 0.00 0.06 0.00 0.30 0.00 0.00 27.48 27.96 1ap4 h GLN 11 CO 0.00 0.00 0.82 -0.51 -0.67 0.00 0.00 178.83 178.47 1ap4 s LEU 12 N -5.22 4.37 0.63 1.46 1.43 -0.44 -4.95 118.68 115.96 1ap4 s LEU 12 Ca -0.00 2.71 -0.18 0.00 -1.03 0.00 0.00 54.13 55.63 1ap4 s LEU 12 Cb 0.09 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.68 1ap4 s LEU 12 CO 0.38 -0.78 1.23 0.42 0.23 0.00 0.00 176.35 177.83 1ap4 s THR 13 N 0.27 2.45 0.27 5.49 -4.23 -1.26 -4.73 115.64 113.90 1ap4 s THR 13 Ca 0.63 0.27 -0.00 0.00 -1.18 0.00 0.00 61.69 61.40 1ap4 s THR 13 Cb -0.44 -3.05 0.25 0.00 1.34 0.00 0.00 72.50 70.60 1ap4 s THR 13 CO 0.41 -0.07 1.75 1.05 -0.54 0.00 0.00 174.62 177.22 1ap4 h GLU 14 N 0.59 0.58 0.00 3.99 4.11 -1.94 0.46 114.58 122.37 1ap4 h GLU 14 Ca -0.50 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 58.89 1ap4 h GLU 14 Cb 1.31 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1ap4 h GLU 14 CO 0.54 0.38 -0.04 1.05 0.07 0.00 0.00 179.01 181.01 1ap4 h GLU 15 N 0.60 0.00 0.03 1.06 4.11 -1.99 -0.95 114.58 117.44 1ap4 h GLU 15 Ca 0.48 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.90 1ap4 h GLU 15 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1ap4 h GLU 15 CO -0.38 0.04 -0.01 0.37 0.07 0.00 0.00 179.01 179.10 1ap4 h GLN 16 N 0.00 -0.04 -0.07 1.06 5.75 -0.43 -3.22 115.11 118.15 1ap4 h GLN 16 Ca -0.00 0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.52 1ap4 h GLN 16 Cb 0.18 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.74 1ap4 h GLN 16 CO 0.01 0.13 0.06 0.87 -2.65 0.00 0.00 178.83 177.24 1ap4 h LYS 17 N -1.00 0.00 0.00 1.69 1.57 -1.34 0.25 116.57 117.73 1ap4 h LYS 17 Ca -0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1ap4 h LYS 17 Cb 0.18 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 1ap4 h LYS 17 CO 0.01 0.00 -0.12 -0.91 -0.57 0.00 0.00 179.45 177.85 1ap4 h ASN 18 N 0.00 0.00 0.42 0.86 2.35 -1.26 -2.37 115.58 115.58 1ap4 h ASN 18 Ca 0.04 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.47 1ap4 h ASN 18 Cb 0.15 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.53 1ap4 h ASN 18 CO -0.00 0.12 -1.43 -0.33 -1.65 0.00 0.00 177.43 174.14 1ap4 h GLU 19 N 0.00 0.39 0.00 0.81 4.39 -0.95 -3.26 114.58 115.95 1ap4 h GLU 19 Ca -0.00 -0.66 -0.05 0.00 0.34 0.00 0.00 59.36 58.99 1ap4 h GLU 19 Cb 0.39 0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 1ap4 h GLU 19 CO 0.02 1.30 -0.23 0.74 -1.16 0.00 0.00 179.01 179.68 1ap4 h PHE 20 N 0.11 0.00 0.40 4.33 -1.00 -1.32 -3.15 116.94 116.30 1ap4 h PHE 20 Ca -0.22 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.55 1ap4 h PHE 20 Cb 2.07 0.00 0.00 0.00 3.61 0.00 0.00 35.95 41.63 1ap4 h PHE 20 CO 0.09 0.23 -0.21 -0.22 -1.61 0.00 0.00 178.31 176.59 1ap4 h LYS 21 N 0.00 -0.54 -0.55 1.51 3.64 -1.48 0.56 116.57 119.71 1ap4 h LYS 21 Ca -0.00 0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.48 1ap4 h LYS 21 Cb 0.63 0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 32.51 1ap4 h LYS 21 CO 0.03 -0.36 0.24 0.00 -2.27 0.00 0.00 179.45 177.09 1ap4 h ALA 22 N 0.04 0.70 -0.34 5.00 0.00 -1.67 -1.19 119.26 121.81 1ap4 h ALA 22 Ca -0.05 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1ap4 h ALA 22 Cb 0.44 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1ap4 h ALA 22 CO 0.07 -0.14 -0.15 0.00 0.00 0.00 0.00 179.25 179.03 1ap4 h ALA 23 N 1.34 1.11 -0.68 0.00 0.00 -1.48 -2.91 119.26 116.64 1ap4 h ALA 23 Ca 0.26 -0.31 0.13 0.00 0.00 0.00 0.00 54.91 55.00 1ap4 h ALA 23 Cb 0.25 -0.15 -0.10 0.00 0.00 0.00 0.00 17.79 17.80 1ap4 h ALA 23 CO -0.23 0.55 0.18 0.35 0.00 0.00 0.00 179.25 180.10 1ap4 h PHE 24 N 0.55 0.28 0.00 0.00 3.57 0.14 0.74 116.94 122.22 1ap4 h PHE 24 Ca 0.09 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1ap4 h PHE 24 Cb 0.58 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.29 1ap4 h PHE 24 CO 0.02 -0.03 0.00 -0.25 -2.23 0.00 0.00 178.31 175.82 1ap4 n ASP 25 N -5.12 0.00 0.05 0.41 9.92 -1.10 -2.70 116.55 118.01 1ap4 n ASP 25 Ca 0.12 0.43 -0.02 0.00 -0.53 0.00 0.00 54.79 54.79 1ap4 n ASP 25 Cb 0.39 -0.47 -0.08 0.00 -0.64 0.00 0.00 41.12 40.32 1ap4 n ASP 25 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1ap4 h ILE 26 N 0.00 0.80 0.00 0.53 2.04 0.52 -3.32 117.51 118.08 1ap4 h ILE 26 Ca 0.00 -2.36 -0.26 0.00 1.00 0.00 0.00 64.86 63.24 1ap4 h ILE 26 Cb 0.27 2.29 -0.04 0.00 -0.74 0.00 0.00 36.82 38.61 1ap4 h ILE 26 CO 0.00 0.46 -1.55 -0.26 0.00 0.00 0.00 178.15 176.80 1ap4 h PHE 27 N 0.00 0.00 -0.00 1.37 0.04 -1.24 -3.30 116.94 113.81 1ap4 h PHE 27 Ca -0.13 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.64 1ap4 h PHE 27 Cb 1.65 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.80 1ap4 h PHE 27 CO 0.00 0.92 0.00 1.33 -0.60 0.00 0.00 178.31 179.96 1ap4 n VAL 28 N -3.06 0.00 -1.53 -0.55 0.24 -1.14 -4.78 118.33 107.52 1ap4 n VAL 28 Ca -0.13 -0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 61.96 1ap4 n VAL 28 Cb 1.00 -0.16 -0.14 0.00 -1.47 0.00 0.00 33.84 33.08 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 -0.66 0.44 0.00 1.34 4.32 -1.24 0.17 117.00 121.37 1ap4 n LEU 29 Ca 0.08 -0.89 0.00 0.00 -0.02 0.00 0.00 56.01 55.17 1ap4 n LEU 29 Cb 0.04 -1.15 0.00 0.00 -1.62 0.00 0.00 43.42 40.68 1ap4 n LEU 29 CO 0.06 -1.91 0.00 0.61 -1.22 0.00 0.00 177.39 174.93 1ap4 n GLY 30 N 6.20 2.05 3.15 -0.72 0.00 -1.26 -5.09 105.19 109.51 1ap4 n GLY 30 Ca 0.56 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.23 1ap4 n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ap4 n ALA 31 N -0.34 -4.53 0.37 4.61 0.00 0.45 -4.89 120.51 116.18 1ap4 n ALA 31 Ca 0.00 -0.81 0.11 0.00 0.00 0.00 0.00 53.44 52.74 1ap4 n ALA 31 Cb 0.00 -1.33 -0.04 0.00 0.00 0.00 0.00 19.45 18.08 1ap4 n ALA 31 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ap4 n GLU 32 N 0.77 0.42 0.00 0.00 -0.58 -1.26 -4.39 120.64 115.60 1ap4 n GLU 32 Ca 0.01 -0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 1ap4 n GLU 32 Cb 0.58 -1.61 0.00 0.00 -0.57 0.00 0.00 31.44 29.84 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 -2.13 0.37 -0.24 1.62 5.68 -1.26 -4.99 116.55 115.59 1ap4 n ASP 33 Ca 0.00 -1.18 0.00 0.00 -0.50 0.00 0.00 54.79 53.11 1ap4 n ASP 33 Cb 0.48 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 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 -0.09 0.86 3.74 6.12 0.00 -1.26 -5.07 105.19 109.49 1ap4 n GLY 34 Ca 0.00 -0.61 -0.24 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.23 3.89 -1.18 0.00 5.41 -0.47 -4.10 119.36 121.68 1ap4 n ILE 36 Ca -0.01 -5.38 -0.36 0.00 1.00 0.00 0.00 62.75 58.00 1ap4 n ILE 36 Cb 0.64 -2.35 0.07 0.00 -0.71 0.00 0.00 39.64 37.29 1ap4 n ILE 36 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1ap4 n SER 37 N 2.06 -1.60 0.17 4.38 2.88 -1.26 -3.11 113.62 117.13 1ap4 n SER 37 Ca 0.24 0.54 0.18 0.00 -1.33 0.00 0.00 58.87 58.50 1ap4 n SER 37 Cb 0.37 -1.18 0.80 0.00 -0.75 0.00 0.00 64.21 63.45 1ap4 n SER 37 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ap4 h THR 38 N -0.56 0.40 -0.94 2.46 1.03 -1.96 -0.93 112.91 112.42 1ap4 h THR 38 Ca -0.45 0.00 0.15 0.00 -0.01 0.00 0.00 66.41 66.10 1ap4 h THR 38 Cb 1.34 0.76 -0.08 0.00 -1.07 0.00 0.00 68.15 69.10 1ap4 h THR 38 CO 0.41 0.00 0.60 0.11 -0.01 0.00 0.00 175.52 176.62 1ap4 h LYS 39 N 0.00 0.75 -1.53 0.00 6.56 -1.94 -1.47 116.57 118.93 1ap4 h LYS 39 Ca 0.12 -0.05 -0.69 0.00 -1.06 0.00 0.00 60.65 58.98 1ap4 h LYS 39 Cb 0.73 -0.17 -0.33 0.00 -0.57 0.00 0.00 32.23 31.89 1ap4 h LYS 39 CO -0.00 0.50 0.42 0.39 -2.06 0.00 0.00 179.45 178.69 1ap4 n GLU 40 N -4.61 2.98 0.00 3.15 1.02 -0.35 -4.48 120.64 118.35 1ap4 n GLU 40 Ca 0.19 -3.76 0.00 0.00 -0.02 0.00 0.00 57.16 53.57 1ap4 n GLU 40 Cb 0.47 -2.27 0.00 0.00 -0.02 0.00 0.00 31.44 29.62 1ap4 n GLU 40 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1ap4 n LEU 41 N -0.63 0.00 0.04 -4.62 -0.00 -0.55 -4.49 117.00 106.75 1ap4 n LEU 41 Ca 0.52 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 56.50 1ap4 n LEU 41 Cb 0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.91 1ap4 n LEU 41 CO 0.52 0.00 0.10 1.23 -0.00 0.00 0.00 177.39 179.24 1ap4 h GLY 42 N 0.00 -0.19 1.61 -3.96 0.00 -1.79 -1.84 103.07 96.90 1ap4 h GLY 42 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1ap4 h GLY 42 CO 0.00 -0.07 0.18 0.07 0.00 0.00 0.00 176.54 176.72 1ap4 h LYS 43 N -0.76 0.00 0.00 4.80 2.10 -1.88 -2.41 116.57 118.43 1ap4 h LYS 43 Ca -0.02 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1ap4 h LYS 43 Cb 0.14 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.47 1ap4 h LYS 43 CO 0.03 0.00 -0.12 0.28 -2.00 0.00 0.00 179.45 177.64 1ap4 h VAL 44 N 0.00 0.01 -0.33 0.07 2.07 -1.78 -3.18 116.25 113.12 1ap4 h VAL 44 Ca 0.00 -1.01 0.10 0.00 0.82 0.00 0.00 66.70 66.61 1ap4 h VAL 44 Cb 0.35 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1ap4 h VAL 44 CO 0.00 0.00 0.51 0.24 0.02 0.00 0.00 177.57 178.34 1ap4 h MET 45 N -1.00 0.00 -0.04 1.57 2.86 -0.93 0.69 114.93 118.08 1ap4 h MET 45 Ca -0.00 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.53 1ap4 h MET 45 Cb 0.13 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.79 1ap4 h MET 45 CO -0.00 0.00 -0.39 0.00 1.06 0.00 0.00 176.91 177.58 1ap4 h ARG 46 N 0.00 0.33 0.00 1.72 3.08 -1.50 1.46 114.38 119.47 1ap4 h ARG 46 Ca 0.16 -0.31 -0.22 0.00 0.07 0.00 0.00 59.98 59.68 1ap4 h ARG 46 Cb 1.17 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 31.26 1ap4 h ARG 46 CO -0.00 0.97 -1.19 0.00 -1.07 0.00 0.00 179.97 178.68 1ap4 h MET 47 N -0.20 0.00 -0.07 0.04 -0.00 -0.91 -3.29 114.93 110.50 1ap4 h MET 47 Ca -0.04 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.62 1ap4 h MET 47 Cb 1.08 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.67 1ap4 h MET 47 CO 0.08 0.77 -0.14 1.25 -0.00 0.00 0.00 176.91 178.88 1ap4 h LEU 48 N 0.00 0.09 0.00 -0.10 6.46 0.19 -3.45 115.31 118.50 1ap4 h LEU 48 Ca -0.10 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.65 1ap4 h LEU 48 Cb 1.80 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 41.71 1ap4 h LEU 48 CO 0.11 0.24 0.00 0.61 -0.62 0.00 0.00 178.44 178.78 1ap4 n GLY 49 N -1.02 0.01 3.93 3.75 0.00 -1.11 -5.06 105.19 105.70 1ap4 n GLY 49 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 2.36 -0.40 1.61 -0.21 0.50 -5.00 119.66 118.52 1ap4 s GLN 50 Ca 0.00 -1.78 0.10 0.00 0.02 0.00 0.00 55.36 53.70 1ap4 s GLN 50 Cb 0.00 -2.33 0.33 0.00 1.00 0.00 0.00 33.01 32.02 1ap4 s GLN 50 CO 0.00 -0.55 0.83 -1.71 -2.12 0.00 0.00 175.29 171.74 1ap4 n ASN 51 N -1.82 -0.15 -4.76 5.90 5.15 -1.25 -3.58 115.26 114.75 1ap4 n ASN 51 Ca 0.04 -3.19 -0.29 0.00 -0.60 0.00 0.00 54.58 50.54 1ap4 n ASN 51 Cb 0.63 0.13 0.14 0.00 -0.53 0.00 0.00 39.78 40.15 1ap4 n ASN 51 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1ap4 s PRO 52 N -1.56 1.12 0.41 1.20 0.04 -1.26 -5.06 135.00 129.89 1ap4 s PRO 52 Ca 0.35 0.45 0.08 0.00 0.04 0.00 0.00 61.00 61.91 1ap4 s PRO 52 Cb 0.32 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 33.05 1ap4 s PRO 52 CO -0.08 -2.25 0.56 0.95 0.04 0.00 0.00 177.00 176.22 1ap4 s THR 53 N -3.15 3.06 0.07 1.26 -4.23 -1.26 -4.99 115.64 106.40 1ap4 s THR 53 Ca 0.64 -1.01 -0.16 0.00 -1.18 0.00 0.00 61.69 59.98 1ap4 s THR 53 Cb -0.16 -3.03 -0.15 0.00 1.34 0.00 0.00 72.50 70.50 1ap4 s THR 53 CO 0.55 -0.01 1.30 1.55 -0.54 0.00 0.00 174.62 177.46 1ap4 h PRO 54 N 0.67 0.65 0.00 3.99 0.13 -2.00 -1.92 132.00 133.51 1ap4 h PRO 54 Ca -0.40 -0.48 -0.06 0.00 -0.87 0.00 0.00 66.00 64.19 1ap4 h PRO 54 Cb 1.28 0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.48 1ap4 h PRO 54 CO 0.46 1.10 -0.28 0.93 -0.23 0.00 0.00 178.00 179.98 1ap4 h GLU 55 N 0.32 0.00 0.00 0.86 5.08 -2.03 -3.06 114.58 115.75 1ap4 h GLU 55 Ca -0.02 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.16 1ap4 h GLU 55 Cb 1.15 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.37 1ap4 h GLU 55 CO 0.11 0.28 -1.06 0.93 -1.00 0.00 0.00 179.01 178.27 1ap4 h GLU 56 N 0.00 0.00 -0.94 2.33 3.07 -1.95 -3.29 114.58 113.81 1ap4 h GLU 56 Ca -0.00 0.00 0.09 0.00 -0.50 0.00 0.00 59.36 58.95 1ap4 h GLU 56 Cb 0.87 0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 28.66 1ap4 h GLU 56 CO 0.04 0.59 -0.56 1.25 -1.40 0.00 0.00 179.01 178.92 1ap4 h LEU 57 N 0.00 -2.06 -0.11 1.33 5.85 -1.23 0.89 115.31 119.98 1ap4 h LEU 57 Ca -0.09 0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1ap4 h LEU 57 Cb 1.64 0.92 0.00 0.00 0.37 0.00 0.00 40.66 43.59 1ap4 h LEU 57 CO 0.08 -0.25 0.00 -0.61 -0.34 0.00 0.00 178.44 177.32 1ap4 h GLN 58 N -0.04 0.00 0.05 1.25 5.75 -1.75 -3.11 115.11 117.26 1ap4 h GLN 58 Ca 0.17 0.00 -0.23 0.00 -0.15 0.00 0.00 58.65 58.44 1ap4 h GLN 58 Cb 0.45 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.99 1ap4 h GLN 58 CO -0.91 0.00 -1.06 1.49 -2.65 0.00 0.00 178.83 175.71 1ap4 h GLU 59 N 0.00 0.22 0.05 1.69 4.81 -0.11 -2.76 114.58 118.48 1ap4 h GLU 59 Ca 0.00 -0.31 -0.16 0.00 -0.13 0.00 0.00 59.36 58.76 1ap4 h GLU 59 Cb 0.84 0.10 0.02 0.00 0.63 0.00 0.00 28.75 30.34 1ap4 h GLU 59 CO 0.00 1.09 -0.67 1.98 -0.73 0.00 0.00 179.01 180.68 1ap4 h MET 60 N 0.09 0.36 0.26 1.92 4.05 0.49 -3.16 114.93 118.93 1ap4 h MET 60 Ca -0.08 -0.46 -0.01 0.00 -0.28 0.00 0.00 59.70 58.87 1ap4 h MET 60 Cb 1.75 0.15 0.00 0.00 -0.80 0.00 0.00 31.60 32.70 1ap4 h MET 60 CO 0.17 1.15 -0.13 0.82 0.23 0.00 0.00 176.91 179.15 1ap4 h ILE 61 N -0.22 0.78 0.00 1.77 2.04 -1.65 -1.93 117.51 118.30 1ap4 h ILE 61 Ca -0.10 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.41 1ap4 h ILE 61 Cb 1.42 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 1ap4 h ILE 61 CO 0.13 0.08 0.22 -0.78 0.00 0.00 0.00 178.15 177.80 1ap4 h ASP 62 N -0.54 0.00 0.56 1.72 1.82 -1.63 0.41 116.42 118.76 1ap4 h ASP 62 Ca -0.04 0.00 -0.25 0.00 -0.39 0.00 0.00 57.03 56.35 1ap4 h ASP 62 Cb 0.40 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.37 1ap4 h ASP 62 CO 0.06 0.00 -1.61 -0.62 -1.61 0.00 0.00 179.24 175.46 1ap4 n GLU 63 N -2.88 0.63 -0.05 0.28 1.02 -0.90 -4.37 120.64 114.37 1ap4 n GLU 63 Ca -0.02 0.27 -0.20 0.00 -0.02 0.00 0.00 57.16 57.19 1ap4 n GLU 63 Cb 0.27 -1.80 -0.13 0.00 -0.02 0.00 0.00 31.44 29.76 1ap4 n GLU 63 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1ap4 n VAL 64 N -2.99 1.67 -1.32 2.62 3.14 0.00 -4.88 118.33 116.57 1ap4 n VAL 64 Ca -0.15 -0.62 -0.56 0.00 -2.96 0.00 0.00 64.34 60.05 1ap4 n VAL 64 Cb 0.98 -1.61 -0.10 0.00 -1.06 0.00 0.00 33.84 32.05 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 -3.40 1.24 -0.28 6.55 2.03 0.12 -4.78 116.55 118.02 1ap4 n ASP 65 Ca -0.38 0.57 -0.06 0.00 0.52 0.00 0.00 54.79 55.45 1ap4 n ASP 65 Cb 1.02 -1.03 0.06 0.00 -0.72 0.00 0.00 41.12 40.45 1ap4 n ASP 65 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1ap4 h GLU 66 N 10.27 1.19 -0.12 -0.67 3.07 -1.89 -2.35 114.58 124.07 1ap4 h GLU 66 Ca -0.16 -0.23 0.00 0.00 -0.50 0.00 0.00 59.36 58.47 1ap4 h GLU 66 Cb 1.38 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 1ap4 h GLU 66 CO 1.07 0.98 0.00 -0.40 -1.40 0.00 0.00 179.01 179.26 1ap4 n ASP 67 N -4.26 2.19 -4.07 1.42 5.68 -1.26 -4.94 116.55 111.30 1ap4 n ASP 67 Ca 0.07 -1.75 -0.28 0.00 -0.50 0.00 0.00 54.79 52.33 1ap4 n ASP 67 Cb 0.21 -0.07 -0.04 0.00 -1.14 0.00 0.00 41.12 40.08 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 1.25 -0.23 0.09 6.12 0.00 -0.89 -4.84 105.19 106.69 1ap4 n GLY 68 Ca 0.17 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.24 1ap4 n GLY 68 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ap4 h SER 69 N -1.77 0.08 0.00 1.61 4.64 -1.92 -3.49 113.55 112.71 1ap4 h SER 69 Ca -0.63 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 60.54 1ap4 h SER 69 Cb 1.38 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1ap4 h SER 69 CO 0.67 1.13 0.00 0.61 -0.87 0.00 0.00 176.83 178.37 1ap4 n GLY 70 N 1.57 3.00 3.88 -0.77 0.00 -1.26 -5.08 105.19 106.53 1ap4 n GLY 70 Ca -0.15 -1.13 -0.31 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.03 4.87 0.16 2.61 -4.23 -1.26 -4.07 115.64 113.69 1ap4 s THR 71 Ca 0.00 0.48 0.05 0.00 -1.18 0.00 0.00 61.69 61.04 1ap4 s THR 71 Cb 0.00 -3.68 -0.04 0.00 1.34 0.00 0.00 72.50 70.13 1ap4 s THR 71 CO 0.00 -0.28 0.13 -0.69 -0.54 0.00 0.00 174.62 173.25 1ap4 s VAL 72 N -2.07 4.48 0.22 2.29 1.01 -1.18 -4.90 120.40 120.25 1ap4 s VAL 72 Ca 0.49 -1.08 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1ap4 s VAL 72 Cb -0.11 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.95 1ap4 s VAL 72 CO 0.26 -0.10 0.09 1.51 0.00 0.00 0.00 175.10 176.85 1ap4 s ASP 73 N -3.08 0.84 0.52 3.32 -4.77 -1.26 -1.37 116.67 110.86 1ap4 s ASP 73 Ca 0.31 -1.33 0.40 0.00 -3.30 0.00 0.00 52.55 48.62 1ap4 s ASP 73 Cb -0.10 0.22 1.58 0.00 -1.09 0.00 0.00 42.92 43.53 1ap4 s ASP 73 CO 0.23 -0.73 1.66 0.15 0.70 0.00 0.00 175.17 177.18 1ap4 h PHE 74 N 2.54 0.16 0.18 2.11 3.04 -1.96 2.15 116.94 125.16 1ap4 h PHE 74 Ca -0.37 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.58 1ap4 h PHE 74 Cb 1.24 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 39.71 1ap4 h PHE 74 CO 0.44 -0.05 -0.09 0.22 -2.02 0.00 0.00 178.31 176.82 1ap4 h ASP 75 N 0.04 -0.20 0.11 0.41 1.82 -2.00 -3.13 116.42 113.46 1ap4 h ASP 75 Ca 0.79 -0.23 -0.22 0.00 -0.39 0.00 0.00 57.03 56.97 1ap4 h ASP 75 Cb 2.94 0.05 0.01 0.00 0.68 0.00 0.00 39.33 43.01 1ap4 h ASP 75 CO -0.13 0.34 -0.86 -0.33 -1.61 0.00 0.00 179.24 176.66 1ap4 h GLU 76 N -0.98 0.58 -0.61 0.28 5.08 -1.38 -2.82 114.58 114.73 1ap4 h GLU 76 Ca -0.02 -0.54 0.12 0.00 -1.00 0.00 0.00 59.36 57.92 1ap4 h GLU 76 Cb 0.42 0.13 -0.09 0.00 0.50 0.00 0.00 28.75 29.71 1ap4 h GLU 76 CO 0.04 1.16 0.10 0.35 -1.00 0.00 0.00 179.01 179.66 1ap4 h PHE 77 N 0.37 0.14 -0.16 4.33 3.57 0.33 -0.11 116.94 125.41 1ap4 h PHE 77 Ca -0.07 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.37 1ap4 h PHE 77 Cb 1.48 0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.25 1ap4 h PHE 77 CO 0.07 -0.07 -0.31 -0.07 -2.23 0.00 0.00 178.31 175.70 1ap4 h LEU 78 N 0.22 0.54 -1.89 0.59 3.38 -1.58 -2.96 115.31 113.61 1ap4 h LEU 78 Ca 0.32 -0.55 0.16 0.00 0.09 0.00 0.00 57.88 57.90 1ap4 h LEU 78 Cb 0.50 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 1ap4 h LEU 78 CO -0.44 0.99 0.42 0.58 0.09 0.00 0.00 178.44 180.09 1ap4 h VAL 79 N 0.11 0.74 -0.02 1.22 2.07 -1.08 0.32 116.25 119.62 1ap4 h VAL 79 Ca 0.01 -0.04 -0.15 0.00 0.82 0.00 0.00 66.70 67.34 1ap4 h VAL 79 Cb 0.90 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1ap4 h VAL 79 CO 0.07 0.02 -0.67 -0.03 0.02 0.00 0.00 177.57 176.97 1ap4 h MET 80 N 0.11 0.09 0.09 1.57 4.05 -0.89 -3.08 114.93 116.87 1ap4 h MET 80 Ca 0.29 -0.08 -0.00 0.00 -0.28 0.00 0.00 59.70 59.63 1ap4 h MET 80 Cb 1.00 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.82 1ap4 h MET 80 CO -0.03 0.73 -0.04 0.52 0.23 0.00 0.00 176.91 178.32 1ap4 h MET 81 N 0.07 -0.11 -0.32 0.39 2.07 -0.30 -2.96 114.93 113.76 1ap4 h MET 81 Ca -0.01 0.01 0.09 0.00 -2.07 0.00 0.00 59.70 57.72 1ap4 h MET 81 Cb 1.20 0.03 -0.01 0.00 -1.87 0.00 0.00 31.60 30.94 1ap4 h MET 81 CO 0.09 0.26 0.63 -0.24 1.07 0.00 0.00 176.91 178.72 1ap4 h VAL 82 N -0.98 0.13 0.00 -2.22 3.04 -1.19 0.22 116.25 115.25 1ap4 h VAL 82 Ca -0.01 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.68 1ap4 h VAL 82 Cb 0.43 0.44 0.00 0.00 -2.01 0.00 0.00 31.29 30.15 1ap4 h VAL 82 CO 0.02 0.00 -0.00 0.03 -1.01 0.00 0.00 177.57 176.61 1ap4 h ARG 83 N 0.00 -0.00 0.00 4.17 3.08 -1.54 0.72 114.38 120.81 1ap4 h ARG 83 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.20 1ap4 h ARG 83 Cb 1.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.46 1ap4 h ARG 83 CO -0.00 0.82 0.00 0.00 -1.07 0.00 0.00 179.97 179.72 1ap4 n MET 85 N -2.59 1.38 0.16 0.00 0.00 0.57 -4.91 117.12 111.72 1ap4 n MET 85 Ca 0.02 -3.02 0.17 0.00 0.00 0.00 0.00 57.70 54.87 1ap4 n MET 85 Cb 0.26 -1.10 0.78 0.00 0.00 0.00 0.00 33.22 33.16 1ap4 n MET 85 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 1ap4 h LYS 86 N 2.58 0.00 0.00 3.17 3.64 0.43 -3.44 116.57 122.95 1ap4 h LYS 86 Ca -0.16 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1ap4 h LYS 86 Cb 1.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1ap4 h LYS 86 CO 0.27 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 177.20 1ap4 n ASP 87 N -3.96 0.00 -2.66 4.20 8.00 -1.26 -4.78 116.55 116.10 1ap4 n ASP 87 Ca 0.03 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.52 1ap4 n ASP 87 Cb 0.39 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.48 1ap4 n ASP 87 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1ap4 n ASP 88 N 0.99 -6.76 0.00 -2.24 -0.08 -1.26 -5.26 116.55 101.94 1ap4 n ASP 88 Ca 0.00 1.38 0.00 0.00 -1.51 0.00 0.00 54.79 54.66 1ap4 n ASP 88 Cb 0.00 -5.19 0.00 0.00 2.34 0.00 0.00 41.12 38.27 1ap4 n ASP 88 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12