#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ap4 s ASP 2 N 0.00 3.01 0.00 7.83 1.47 -1.26 -5.12 116.67 122.61 1ap4 s ASP 2 Ca 0.00 -0.82 0.00 0.00 1.18 0.00 0.00 52.55 52.91 1ap4 s ASP 2 Cb 0.00 -0.20 0.00 0.00 -0.34 0.00 0.00 42.92 42.38 1ap4 s ASP 2 CO 0.00 0.07 0.00 -0.67 0.68 0.00 0.00 175.17 175.25 1ap4 n ASP 3 N 0.49 0.93 0.00 2.11 2.03 -1.26 -4.92 116.55 115.93 1ap4 n ASP 3 Ca -0.15 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.16 1ap4 n ASP 3 Cb 0.56 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 1ap4 n ASP 3 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1ap4 n ILE 4 N 0.00 0.00 -0.07 5.18 5.41 -1.26 -3.83 119.36 124.79 1ap4 n ILE 4 Ca 0.00 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.63 1ap4 n ILE 4 Cb 0.00 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 38.88 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 0.40 -0.07 1.39 0.05 -1.99 -2.43 116.97 114.33 1ap4 h TYR 5 Ca 0.00 -0.08 0.02 0.00 0.05 0.00 0.00 58.73 58.72 1ap4 h TYR 5 Cb 0.00 -0.10 -0.00 0.00 1.01 0.00 0.00 36.73 37.64 1ap4 h TYR 5 CO 0.00 0.59 0.25 -0.22 -1.05 0.00 0.00 178.16 177.73 1ap4 h LYS 6 N 0.10 0.00 0.00 4.88 3.64 -1.92 0.32 116.57 123.59 1ap4 h LYS 6 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1ap4 h LYS 6 Cb 0.45 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1ap4 h LYS 6 CO 0.01 0.00 -1.04 0.00 -2.27 0.00 0.00 179.45 176.16 1ap4 n ALA 7 N -2.04 2.67 0.08 5.00 0.00 -0.95 -4.14 120.51 121.13 1ap4 n ALA 7 Ca -0.01 -0.27 -0.22 0.00 0.00 0.00 0.00 53.44 52.95 1ap4 n ALA 7 Cb 0.33 -1.08 -0.13 0.00 0.00 0.00 0.00 19.45 18.57 1ap4 n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ap4 h ALA 8 N 2.11 -0.03 -0.80 0.00 0.00 -0.01 -3.00 119.26 117.53 1ap4 h ALA 8 Ca 0.00 -0.74 0.15 0.00 0.00 0.00 0.00 54.91 54.32 1ap4 h ALA 8 Cb 0.95 0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.75 1ap4 h ALA 8 CO 0.00 0.59 0.36 0.28 0.00 0.00 0.00 179.25 180.48 1ap4 h VAL 9 N 0.10 0.67 0.00 0.00 2.07 -1.64 0.31 116.25 117.76 1ap4 h VAL 9 Ca -0.17 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1ap4 h VAL 9 Cb 1.82 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1ap4 h VAL 9 CO 0.21 0.09 -0.05 -0.08 0.02 0.00 0.00 177.57 177.76 1ap4 h GLU 10 N 0.51 0.00 0.00 1.57 4.57 -1.74 -3.03 114.58 116.46 1ap4 h GLU 10 Ca 0.45 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.57 1ap4 h GLU 10 Cb 0.67 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.25 1ap4 h GLU 10 CO -0.40 0.05 -0.24 1.96 -1.18 0.00 0.00 179.01 179.20 1ap4 h GLN 11 N 0.00 0.00 -6.04 1.92 4.20 -0.25 -3.45 115.11 111.50 1ap4 h GLN 11 Ca -0.00 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.51 1ap4 h GLN 11 Cb 0.83 0.00 0.12 0.00 0.30 0.00 0.00 27.48 28.73 1ap4 h GLN 11 CO 0.01 0.24 -0.10 1.28 -0.67 0.00 0.00 178.83 179.59 1ap4 n LEU 12 N -3.41 -1.07 -4.87 1.46 4.77 -0.95 -4.94 117.00 107.99 1ap4 n LEU 12 Ca 0.00 -0.47 -0.34 0.00 -0.03 0.00 0.00 56.01 55.17 1ap4 n LEU 12 Cb 0.44 -0.77 -0.05 0.00 -2.33 0.00 0.00 43.42 40.71 1ap4 n LEU 12 CO 0.34 -3.43 0.10 0.42 -1.33 0.00 0.00 177.39 173.50 1ap4 s THR 13 N -2.06 5.06 0.07 -5.08 -4.23 -1.26 -4.99 115.64 103.15 1ap4 s THR 13 Ca 0.36 0.41 -0.37 0.00 -1.18 0.00 0.00 61.69 60.91 1ap4 s THR 13 Cb -0.06 -3.65 -0.20 0.00 1.34 0.00 0.00 72.50 69.93 1ap4 s THR 13 CO 0.30 0.18 1.57 -0.33 -0.54 0.00 0.00 174.62 175.81 1ap4 h GLU 14 N 3.35 -1.20 -1.24 3.99 3.07 -1.94 -1.87 114.58 118.75 1ap4 h GLU 14 Ca -0.48 0.08 0.42 0.00 -0.50 0.00 0.00 59.36 58.89 1ap4 h GLU 14 Cb 1.18 0.27 -0.14 0.00 -0.84 0.00 0.00 28.75 29.23 1ap4 h GLU 14 CO 0.68 -0.80 0.77 1.05 -1.40 0.00 0.00 179.01 179.31 1ap4 h GLU 15 N -1.25 0.09 0.25 2.33 4.11 -1.99 0.47 114.58 118.59 1ap4 h GLU 15 Ca -0.11 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.30 1ap4 h GLU 15 Cb 0.99 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1ap4 h GLU 15 CO 0.14 0.06 -0.12 0.37 0.07 0.00 0.00 179.01 179.52 1ap4 h GLN 16 N 0.09 -0.32 -1.02 1.06 4.15 -1.80 -1.66 115.11 115.61 1ap4 h GLN 16 Ca 0.82 0.02 0.34 0.00 0.77 0.00 0.00 58.65 60.60 1ap4 h GLN 16 Cb 2.45 0.07 -0.15 0.00 0.21 0.00 0.00 27.48 30.06 1ap4 h GLN 16 CO -0.51 -0.21 0.59 0.87 -1.93 0.00 0.00 178.83 177.64 1ap4 h LYS 17 N -0.58 0.26 -0.30 1.69 1.57 -0.44 0.58 116.57 119.36 1ap4 h LYS 17 Ca -0.03 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1ap4 h LYS 17 Cb 0.25 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1ap4 h LYS 17 CO 0.06 0.18 0.05 -0.91 -0.57 0.00 0.00 179.45 178.25 1ap4 h ASN 18 N 0.27 0.46 0.41 0.86 2.35 -0.95 -2.16 115.58 116.83 1ap4 h ASN 18 Ca 0.75 -0.25 -0.05 0.00 -0.55 0.00 0.00 56.30 56.19 1ap4 h ASN 18 Cb 1.80 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 40.04 1ap4 h ASN 18 CO -0.61 0.60 -0.26 -0.08 -1.65 0.00 0.00 177.43 175.44 1ap4 h GLU 19 N 0.31 0.00 -0.03 0.81 4.22 0.10 -2.45 114.58 117.55 1ap4 h GLU 19 Ca 0.09 0.00 -0.14 0.00 0.08 0.00 0.00 59.36 59.39 1ap4 h GLU 19 Cb 0.33 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 1ap4 h GLU 19 CO 0.00 0.26 -0.61 0.74 -2.18 0.00 0.00 179.01 177.23 1ap4 h PHE 20 N 0.00 0.14 -0.55 0.92 -1.00 -0.35 -3.15 116.94 112.95 1ap4 h PHE 20 Ca -0.00 -0.05 0.05 0.00 2.81 0.00 0.00 57.97 60.77 1ap4 h PHE 20 Cb 0.53 -0.02 -0.05 0.00 3.61 0.00 0.00 35.95 40.02 1ap4 h PHE 20 CO 0.00 0.69 0.28 -0.22 -1.61 0.00 0.00 178.31 177.45 1ap4 h LYS 21 N 0.08 0.53 -0.78 1.51 3.64 -0.89 0.25 116.57 120.91 1ap4 h LYS 21 Ca -0.01 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 1ap4 h LYS 21 Cb 1.09 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.76 1ap4 h LYS 21 CO 0.09 0.35 0.34 0.00 -2.27 0.00 0.00 179.45 177.95 1ap4 h ALA 22 N 1.29 1.01 0.00 5.00 0.00 -1.62 -2.45 119.26 122.49 1ap4 h ALA 22 Ca 0.24 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1ap4 h ALA 22 Cb 0.14 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1ap4 h ALA 22 CO -0.16 0.61 -0.62 0.00 0.00 0.00 0.00 179.25 179.08 1ap4 h ALA 23 N 1.17 0.98 -0.74 0.00 0.00 -1.37 -3.10 119.26 116.21 1ap4 h ALA 23 Ca 0.26 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1ap4 h ALA 23 Cb 0.18 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1ap4 h ALA 23 CO -0.03 0.77 0.39 0.35 0.00 0.00 0.00 179.25 180.73 1ap4 h PHE 24 N 0.00 1.02 0.00 0.00 3.04 -0.06 -1.72 116.94 119.23 1ap4 h PHE 24 Ca -0.01 -0.03 -0.04 0.00 3.98 0.00 0.00 57.97 61.88 1ap4 h PHE 24 Cb 1.09 -0.33 -0.01 0.00 2.56 0.00 0.00 35.95 39.27 1ap4 h PHE 24 CO 0.00 0.72 -0.19 -0.44 -2.02 0.00 0.00 178.31 176.39 1ap4 h ASP 25 N 1.04 0.00 1.51 0.41 5.19 -1.44 -2.75 116.42 120.38 1ap4 h ASP 25 Ca 0.26 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.67 1ap4 h ASP 25 Cb 0.05 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.56 1ap4 h ASP 25 CO -0.04 0.19 0.00 0.40 -3.12 0.00 0.00 179.24 176.67 1ap4 h ILE 26 N 0.00 0.00 0.00 0.35 2.04 -1.33 -3.13 117.51 115.44 1ap4 h ILE 26 Ca -0.00 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.20 1ap4 h ILE 26 Cb 0.69 1.62 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 1ap4 h ILE 26 CO 0.02 0.00 -1.13 0.49 0.00 0.00 0.00 178.15 177.53 1ap4 n PHE 27 N -2.73 0.75 -0.00 1.37 3.72 -1.04 -3.91 117.46 115.61 1ap4 n PHE 27 Ca 0.04 0.22 0.08 0.00 -0.05 0.00 0.00 57.45 57.73 1ap4 n PHE 27 Cb 0.42 -0.83 0.27 0.00 -0.94 0.00 0.00 39.48 38.40 1ap4 n PHE 27 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1ap4 n VAL 28 N -2.52 1.16 -1.46 -4.37 0.24 -1.19 -4.78 118.33 105.41 1ap4 n VAL 28 Ca -0.00 -0.85 -0.47 0.00 -2.04 0.00 0.00 64.34 60.98 1ap4 n VAL 28 Cb 0.54 0.18 -0.08 0.00 -1.47 0.00 0.00 33.84 33.00 1ap4 n VAL 28 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 1ap4 n LEU 29 N 0.97 1.75 0.00 1.34 7.94 -1.23 0.67 117.00 128.44 1ap4 n LEU 29 Ca 0.20 0.21 0.00 0.00 -1.11 0.00 0.00 56.01 55.31 1ap4 n LEU 29 Cb 0.63 -1.24 0.00 0.00 0.53 0.00 0.00 43.42 43.34 1ap4 n LEU 29 CO 0.17 -0.89 0.00 0.61 -1.11 0.00 0.00 177.39 176.17 1ap4 n GLY 30 N 6.50 1.62 3.24 -3.96 0.00 -1.26 -5.08 105.19 106.25 1ap4 n GLY 30 Ca 0.46 -0.21 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 -3.80 -0.10 4.61 0.00 0.21 -4.94 120.51 116.49 1ap4 n ALA 31 Ca 0.00 -0.64 -0.23 0.00 0.00 0.00 0.00 53.44 52.57 1ap4 n ALA 31 Cb 0.00 -1.53 -0.12 0.00 0.00 0.00 0.00 19.45 17.81 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 0.03 0.59 0.03 0.00 1.02 -1.26 -4.36 120.64 116.68 1ap4 n GLU 32 Ca 0.03 0.51 0.12 0.00 -0.02 0.00 0.00 57.16 57.80 1ap4 n GLU 32 Cb 0.55 -1.72 0.12 0.00 -0.02 0.00 0.00 31.44 30.37 1ap4 n GLU 32 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1ap4 n ASP 33 N -4.31 0.62 -0.00 1.62 5.75 -1.26 -4.94 116.55 114.02 1ap4 n ASP 33 Ca -0.34 -0.17 0.00 0.00 -0.01 0.00 0.00 54.79 54.26 1ap4 n ASP 33 Cb 0.74 0.48 0.00 0.00 -1.03 0.00 0.00 41.12 41.31 1ap4 n ASP 33 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ap4 n GLY 34 N 1.40 1.28 3.81 6.12 0.00 -1.26 -5.11 105.19 111.44 1ap4 n GLY 34 Ca 0.03 -0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.66 4.80 -0.94 0.00 5.41 -1.00 -4.43 119.36 122.53 1ap4 n ILE 36 Ca -0.08 -5.40 -0.34 0.00 1.00 0.00 0.00 62.75 57.93 1ap4 n ILE 36 Cb 0.56 -2.36 0.09 0.00 -0.71 0.00 0.00 39.64 37.22 1ap4 n ILE 36 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1ap4 n SER 37 N 2.67 -2.79 -0.14 4.38 7.64 -1.26 -3.21 113.62 120.92 1ap4 n SER 37 Ca 0.28 0.36 -0.00 0.00 1.01 0.00 0.00 58.87 60.52 1ap4 n SER 37 Cb 0.37 -1.10 0.25 0.00 -1.01 0.00 0.00 64.21 62.72 1ap4 n SER 37 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ap4 h THR 38 N -1.16 1.19 -0.91 0.44 1.03 -1.95 -1.97 112.91 109.58 1ap4 h THR 38 Ca -0.44 -0.54 0.20 0.00 -0.01 0.00 0.00 66.41 65.62 1ap4 h THR 38 Cb 1.30 0.44 -0.07 0.00 -1.07 0.00 0.00 68.15 68.75 1ap4 h THR 38 CO 0.34 0.23 0.60 0.50 -0.01 0.00 0.00 175.52 177.17 1ap4 h LYS 39 N 0.83 0.44 -1.67 0.00 3.64 -1.94 -0.84 116.57 117.02 1ap4 h LYS 39 Ca 0.21 -0.03 -0.69 0.00 -1.27 0.00 0.00 60.65 58.86 1ap4 h LYS 39 Cb 0.09 -0.10 -0.32 0.00 -0.41 0.00 0.00 32.23 31.48 1ap4 h LYS 39 CO -0.03 0.29 0.42 -1.91 -2.27 0.00 0.00 179.45 175.95 1ap4 n GLU 40 N -4.54 2.99 0.00 1.90 0.00 -0.74 -4.52 120.64 115.73 1ap4 n GLU 40 Ca 0.20 -3.81 0.00 0.00 0.00 0.00 0.00 57.16 53.54 1ap4 n GLU 40 Cb 0.68 -2.27 0.00 0.00 0.00 0.00 0.00 31.44 29.85 1ap4 n GLU 40 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1ap4 n LEU 41 N -0.58 2.54 -0.08 4.31 0.00 -0.32 -4.53 117.00 118.34 1ap4 n LEU 41 Ca 0.50 0.00 -0.14 0.00 0.00 0.00 0.00 56.01 56.38 1ap4 n LEU 41 Cb 0.45 0.00 -0.09 0.00 0.00 0.00 0.00 43.42 43.77 1ap4 n LEU 41 CO 0.49 0.42 0.50 1.23 0.00 0.00 0.00 177.39 180.03 1ap4 h GLY 42 N 0.00 -1.09 0.40 -3.96 0.00 -1.80 -0.20 103.07 96.42 1ap4 h GLY 42 Ca 0.00 0.71 0.09 0.00 0.00 0.00 0.00 47.33 48.13 1ap4 h GLY 42 CO 0.00 -0.18 0.17 0.50 0.00 0.00 0.00 176.54 177.03 1ap4 h LYS 43 N -0.45 0.32 -0.84 4.80 1.57 -1.89 -1.07 116.57 119.02 1ap4 h LYS 43 Ca 0.05 -0.02 0.19 0.00 -1.87 0.00 0.00 60.65 59.00 1ap4 h LYS 43 Cb 0.59 -0.07 -0.11 0.00 0.08 0.00 0.00 32.23 32.72 1ap4 h LYS 43 CO -0.50 0.21 0.34 0.28 -0.57 0.00 0.00 179.45 179.22 1ap4 h VAL 44 N 0.33 0.54 0.00 0.50 2.07 -1.33 0.69 116.25 119.05 1ap4 h VAL 44 Ca 0.28 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 1ap4 h VAL 44 Cb 0.34 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1ap4 h VAL 44 CO -0.30 0.07 -0.07 0.24 0.02 0.00 0.00 177.57 177.53 1ap4 h MET 45 N 0.41 0.00 0.09 1.57 2.86 0.13 -2.15 114.93 117.85 1ap4 h MET 45 Ca 0.50 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 58.01 1ap4 h MET 45 Cb 0.87 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.54 1ap4 h MET 45 CO -0.49 0.07 -0.58 0.00 1.06 0.00 0.00 176.91 176.98 1ap4 h ARG 46 N 0.00 0.20 0.00 1.72 2.47 0.79 1.49 114.38 121.05 1ap4 h ARG 46 Ca -0.00 -0.34 -0.08 0.00 -1.26 0.00 0.00 59.98 58.30 1ap4 h ARG 46 Cb 0.57 0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 29.00 1ap4 h ARG 46 CO 0.01 1.16 -0.39 0.00 0.56 0.00 0.00 179.97 181.31 1ap4 h MET 47 N -0.58 0.00 0.00 0.04 -0.00 -1.10 -2.66 114.93 110.63 1ap4 h MET 47 Ca -0.10 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.50 1ap4 h MET 47 Cb 1.44 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 33.02 1ap4 h MET 47 CO 0.10 0.39 -0.45 -0.07 -0.00 0.00 0.00 176.91 176.87 1ap4 h LEU 48 N 0.00 0.00 0.00 -0.10 3.38 -1.47 -3.46 115.31 113.65 1ap4 h LEU 48 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ap4 h LEU 48 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1ap4 h LEU 48 CO 0.05 0.45 0.00 0.61 0.09 0.00 0.00 178.44 179.64 1ap4 n GLY 49 N 0.37 0.98 3.85 0.83 0.00 -1.00 -5.10 105.19 105.12 1ap4 n GLY 49 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 2.76 -0.40 1.61 -1.52 0.51 -4.98 119.66 117.63 1ap4 s GLN 50 Ca 0.00 -1.26 0.09 0.00 -1.95 0.00 0.00 55.36 52.24 1ap4 s GLN 50 Cb 0.00 -2.49 0.28 0.00 -0.22 0.00 0.00 33.01 30.58 1ap4 s GLN 50 CO 0.00 0.14 0.67 0.27 -0.25 0.00 0.00 175.29 176.12 1ap4 n ASN 51 N -1.35 -0.20 -2.51 5.90 6.94 -1.25 -2.88 115.26 119.90 1ap4 n ASN 51 Ca -0.03 -2.94 0.00 0.00 -0.02 0.00 0.00 54.58 51.60 1ap4 n ASN 51 Cb 0.59 -0.14 0.00 0.00 -2.36 0.00 0.00 39.78 37.88 1ap4 n ASN 51 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1ap4 n PRO 52 N 1.02 -0.52 -4.47 -0.53 -0.04 -1.26 -5.09 135.00 124.12 1ap4 n PRO 52 Ca 0.20 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.43 1ap4 n PRO 52 Cb 0.59 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.95 1ap4 n PRO 52 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1ap4 s THR 53 N -0.87 1.72 0.21 0.52 -4.23 -1.26 -5.03 115.64 106.70 1ap4 s THR 53 Ca 0.00 -2.11 -0.02 0.00 -1.18 0.00 0.00 61.69 58.38 1ap4 s THR 53 Cb 0.00 -2.60 -0.02 0.00 1.34 0.00 0.00 72.50 71.22 1ap4 s THR 53 CO 0.00 -0.20 1.56 1.55 -0.54 0.00 0.00 174.62 176.99 1ap4 h PRO 54 N 2.15 0.58 0.00 3.99 0.13 -1.99 -0.59 132.00 136.26 1ap4 h PRO 54 Ca -0.41 -0.31 -0.06 0.00 -0.87 0.00 0.00 66.00 64.35 1ap4 h PRO 54 Cb 1.24 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1ap4 h PRO 54 CO 0.70 0.91 -0.30 0.93 -0.23 0.00 0.00 178.00 180.00 1ap4 h GLU 55 N 0.47 0.00 0.13 0.86 4.39 -2.02 -3.14 114.58 115.26 1ap4 h GLU 55 Ca 0.03 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.42 1ap4 h GLU 55 Cb 0.96 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.61 1ap4 h GLU 55 CO 0.09 0.30 -1.63 0.93 -1.16 0.00 0.00 179.01 177.54 1ap4 h GLU 56 N 0.00 0.28 -0.99 2.33 5.08 -1.93 -3.31 114.58 116.05 1ap4 h GLU 56 Ca -0.00 -0.48 0.18 0.00 -1.00 0.00 0.00 59.36 58.06 1ap4 h GLU 56 Cb 0.60 0.18 -0.18 0.00 0.50 0.00 0.00 28.75 29.85 1ap4 h GLU 56 CO 0.04 1.23 -0.29 1.25 -1.00 0.00 0.00 179.01 180.24 1ap4 h LEU 57 N -0.14 -1.08 0.27 1.33 5.85 -1.06 0.46 115.31 120.94 1ap4 h LEU 57 Ca -0.34 0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1ap4 h LEU 57 Cb 1.89 0.66 0.00 0.00 0.37 0.00 0.00 40.66 43.59 1ap4 h LEU 57 CO 0.09 -0.31 -0.13 -0.61 -0.34 0.00 0.00 178.44 177.13 1ap4 h GLN 58 N -0.00 -0.35 -0.80 1.25 -0.00 -1.72 -2.97 115.11 110.51 1ap4 h GLN 58 Ca 0.43 0.02 0.13 0.00 -0.00 0.00 0.00 58.65 59.24 1ap4 h GLN 58 Cb 0.68 0.08 -0.14 0.00 0.00 0.00 0.00 27.48 28.10 1ap4 h GLN 58 CO -1.01 -0.23 -0.35 1.49 0.00 0.00 0.00 178.83 178.73 1ap4 h GLU 59 N -0.51 -0.07 0.00 1.69 4.81 -1.49 -0.89 114.58 118.12 1ap4 h GLU 59 Ca -0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1ap4 h GLU 59 Cb 0.28 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1ap4 h GLU 59 CO 0.06 -0.05 0.00 -1.33 -0.73 0.00 0.00 179.01 176.96 1ap4 n MET 60 N -5.46 0.00 -0.32 1.92 2.81 0.16 -1.03 117.12 115.19 1ap4 n MET 60 Ca 0.08 0.80 0.18 0.00 -1.81 0.00 0.00 57.70 56.95 1ap4 n MET 60 Cb 0.38 -1.43 0.39 0.00 -0.71 0.00 0.00 33.22 31.85 1ap4 n MET 60 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1ap4 h ILE 61 N 0.00 0.38 0.00 2.02 2.04 -1.26 1.33 117.51 122.03 1ap4 h ILE 61 Ca 0.00 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1ap4 h ILE 61 Cb 0.00 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.06 1ap4 h ILE 61 CO 0.00 0.07 0.00 -0.67 0.00 0.00 0.00 178.15 177.55 1ap4 n ASP 62 N -5.05 0.00 -0.00 1.72 -0.08 -0.20 0.05 116.55 112.99 1ap4 n ASP 62 Ca 0.27 0.40 0.06 0.00 -1.51 0.00 0.00 54.79 54.01 1ap4 n ASP 62 Cb 0.82 -0.43 -0.09 0.00 2.34 0.00 0.00 41.12 43.76 1ap4 n ASP 62 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1ap4 n GLU 63 N -1.43 1.02 -0.00 -0.67 -0.58 0.45 -4.58 120.64 114.85 1ap4 n GLU 63 Ca 0.02 -0.09 0.04 0.00 -0.42 0.00 0.00 57.16 56.72 1ap4 n GLU 63 Cb 0.06 -1.24 -0.06 0.00 -0.57 0.00 0.00 31.44 29.63 1ap4 n GLU 63 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 1ap4 n VAL 64 N -1.77 0.00 -1.51 2.62 3.14 -0.77 -5.02 118.33 115.01 1ap4 n VAL 64 Ca -0.01 -0.23 -0.41 0.00 -2.96 0.00 0.00 64.34 60.73 1ap4 n VAL 64 Cb 0.29 0.53 0.01 0.00 -1.06 0.00 0.00 33.84 33.62 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 -1.61 -0.18 -0.01 6.55 2.03 0.11 -4.87 116.55 118.57 1ap4 n ASP 65 Ca -0.01 0.92 0.10 0.00 0.52 0.00 0.00 54.79 56.33 1ap4 n ASP 65 Cb 0.20 -1.21 -0.16 0.00 -0.72 0.00 0.00 41.12 39.24 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 0.29 0.61 -0.00 -0.67 1.02 -1.26 -4.50 120.64 116.13 1ap4 n GLU 66 Ca 0.11 -0.18 0.01 0.00 -0.02 0.00 0.00 57.16 57.09 1ap4 n GLU 66 Cb 0.41 -1.48 -0.02 0.00 -0.02 0.00 0.00 31.44 30.33 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 -2.17 2.34 0.00 1.62 5.68 -1.26 -4.99 116.55 117.77 1ap4 n ASP 67 Ca -0.03 -0.27 0.00 0.00 -0.50 0.00 0.00 54.79 53.99 1ap4 n ASP 67 Cb 0.52 1.07 0.00 0.00 -1.14 0.00 0.00 41.12 41.57 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 1.73 1.27 0.27 6.12 0.00 -1.26 -4.89 105.19 108.43 1ap4 n GLY 68 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 0.25 0.00 1.61 4.64 -1.96 -3.46 113.55 114.64 1ap4 h SER 69 Ca 0.00 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1ap4 h SER 69 Cb 0.00 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1ap4 h SER 69 CO 0.00 0.11 0.00 0.61 -0.87 0.00 0.00 176.83 176.68 1ap4 n GLY 70 N -1.32 1.72 3.95 -0.77 0.00 -1.26 -5.11 105.19 102.40 1ap4 n GLY 70 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.70 5.06 -0.25 2.61 -4.23 -1.26 -4.18 115.64 111.68 1ap4 s THR 71 Ca 0.00 -0.67 -0.06 0.00 -1.18 0.00 0.00 61.69 59.78 1ap4 s THR 71 Cb 0.00 -3.82 -0.01 0.00 1.34 0.00 0.00 72.50 70.00 1ap4 s THR 71 CO 0.00 -0.45 0.04 -0.69 -0.54 0.00 0.00 174.62 172.97 1ap4 s VAL 72 N -2.21 3.93 0.31 2.29 1.01 -1.20 -4.92 120.40 119.61 1ap4 s VAL 72 Ca 0.39 -0.40 0.04 0.00 0.00 0.00 0.00 61.98 62.01 1ap4 s VAL 72 Cb -0.09 -2.87 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 1ap4 s VAL 72 CO 0.34 0.30 0.46 -1.81 0.00 0.00 0.00 175.10 174.38 1ap4 s ASP 73 N 1.54 6.16 0.49 3.32 1.11 -1.26 -2.38 116.67 125.65 1ap4 s ASP 73 Ca 0.05 0.09 0.35 0.00 0.18 0.00 0.00 52.55 53.22 1ap4 s ASP 73 Cb -0.15 -1.67 1.49 0.00 1.07 0.00 0.00 42.92 43.66 1ap4 s ASP 73 CO 0.01 -0.28 1.67 0.15 1.18 0.00 0.00 175.17 177.90 1ap4 h PHE 74 N 0.93 0.30 0.05 4.23 3.57 -1.97 1.51 116.94 125.55 1ap4 h PHE 74 Ca -0.49 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.02 1ap4 h PHE 74 Cb 1.24 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.90 1ap4 h PHE 74 CO 0.45 -0.08 -0.02 -0.44 -2.23 0.00 0.00 178.31 175.99 1ap4 h ASP 75 N 0.08 -0.05 -0.03 0.41 5.19 -2.00 -2.94 116.42 117.08 1ap4 h ASP 75 Ca 0.77 -0.53 -0.14 0.00 -0.62 0.00 0.00 57.03 56.51 1ap4 h ASP 75 Cb 2.69 0.01 0.01 0.00 0.18 0.00 0.00 39.33 42.22 1ap4 h ASP 75 CO -0.21 0.53 -0.52 -0.33 -3.12 0.00 0.00 179.24 175.58 1ap4 h GLU 76 N -0.66 0.41 -1.03 3.56 5.08 -0.86 -2.97 114.58 118.11 1ap4 h GLU 76 Ca -0.01 -0.40 0.26 0.00 -1.00 0.00 0.00 59.36 58.21 1ap4 h GLU 76 Cb 0.58 0.10 -0.10 0.00 0.50 0.00 0.00 28.75 29.84 1ap4 h GLU 76 CO 0.01 1.06 0.65 0.35 -1.00 0.00 0.00 179.01 180.08 1ap4 h PHE 77 N -0.08 0.73 -0.07 4.33 3.57 0.18 0.63 116.94 126.23 1ap4 h PHE 77 Ca -0.06 0.03 -0.20 0.00 3.53 0.00 0.00 57.97 61.26 1ap4 h PHE 77 Cb 1.22 -0.21 0.01 0.00 2.79 0.00 0.00 35.95 39.76 1ap4 h PHE 77 CO 0.14 0.07 -0.75 -0.07 -2.23 0.00 0.00 178.31 175.47 1ap4 h LEU 78 N 0.44 0.79 -2.13 0.59 3.38 -1.51 -3.13 115.31 113.74 1ap4 h LEU 78 Ca 0.60 -0.69 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1ap4 h LEU 78 Cb 1.42 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 1ap4 h LEU 78 CO -0.33 1.36 -0.04 0.58 0.09 0.00 0.00 178.44 180.10 1ap4 h VAL 79 N 0.28 0.78 -0.23 1.22 2.07 -0.76 -1.40 116.25 118.21 1ap4 h VAL 79 Ca -0.07 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.23 1ap4 h VAL 79 Cb 1.41 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 1ap4 h VAL 79 CO 0.15 0.04 -0.15 0.24 0.02 0.00 0.00 177.57 177.87 1ap4 h MET 80 N 0.00 0.39 0.27 1.57 2.86 -1.20 -1.88 114.93 116.95 1ap4 h MET 80 Ca -0.00 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.52 1ap4 h MET 80 Cb 0.09 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1ap4 h MET 80 CO 0.01 0.53 -0.13 0.52 1.06 0.00 0.00 176.91 178.90 1ap4 h MET 81 N 0.36 -0.36 -0.23 1.72 2.07 -1.34 -2.18 114.93 114.98 1ap4 h MET 81 Ca 0.07 0.02 0.07 0.00 -2.07 0.00 0.00 59.70 57.79 1ap4 h MET 81 Cb 0.48 0.08 -0.01 0.00 -1.87 0.00 0.00 31.60 30.28 1ap4 h MET 81 CO 0.03 -0.16 0.39 -0.24 1.07 0.00 0.00 176.91 178.00 1ap4 h VAL 82 N -1.07 0.22 0.00 -2.22 3.04 -1.53 0.42 116.25 115.12 1ap4 h VAL 82 Ca -0.04 0.00 -0.17 0.00 -1.01 0.00 0.00 66.70 65.48 1ap4 h VAL 82 Cb 0.36 0.66 -0.03 0.00 -2.01 0.00 0.00 31.29 30.27 1ap4 h VAL 82 CO 0.06 0.00 -1.04 0.03 -1.01 0.00 0.00 177.57 175.61 1ap4 h ARG 83 N 0.00 0.00 0.00 4.17 3.08 -1.30 -2.15 114.38 118.17 1ap4 h ARG 83 Ca 0.11 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.10 1ap4 h ARG 83 Cb 0.90 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 1ap4 h ARG 83 CO -0.00 0.53 -0.33 0.00 -1.07 0.00 0.00 179.97 179.10 1ap4 n MET 85 N -4.57 0.10 -2.96 0.00 0.00 -0.34 -4.98 117.12 104.37 1ap4 n MET 85 Ca -0.15 0.14 -0.01 0.00 0.00 0.00 0.00 57.70 57.67 1ap4 n MET 85 Cb 0.51 -1.63 -0.01 0.00 0.00 0.00 0.00 33.22 32.09 1ap4 n MET 85 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1ap4 n LYS 86 N -1.81 -1.98 0.00 3.17 5.02 -0.81 -4.96 118.16 116.79 1ap4 n LYS 86 Ca 0.06 1.78 0.00 0.00 -2.02 0.00 0.00 58.31 58.13 1ap4 n LYS 86 Cb 0.34 -2.44 0.00 0.00 -0.02 0.00 0.00 35.03 32.91 1ap4 n LYS 86 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1ap4 n ASP 87 N 1.70 0.00 -3.41 4.39 2.03 -1.23 -4.33 116.55 115.70 1ap4 n ASP 87 Ca -0.08 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.00 1ap4 n ASP 87 Cb 0.28 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.67 1ap4 n ASP 87 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1ap4 n ASP 88 N 0.00 -3.34 -0.59 1.67 8.00 -1.26 -5.18 116.55 115.86 1ap4 n ASP 88 Ca 0.00 -0.40 0.07 0.00 0.71 0.00 0.00 54.79 55.17 1ap4 n ASP 88 Cb 0.00 -2.79 0.06 0.00 -0.02 0.00 0.00 41.12 38.38 1ap4 n ASP 88 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57