#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 4.93 0.00 6.12 1.01 -1.26 -4.80 116.67 122.67 1ap4 s ASP 2 Ca 0.00 -2.98 0.00 0.00 0.71 0.00 0.00 52.55 50.28 1ap4 s ASP 2 Cb 0.00 -1.78 0.00 0.00 1.01 0.00 0.00 42.92 42.15 1ap4 s ASP 2 CO 0.00 -0.31 0.00 0.47 0.21 0.00 0.00 175.17 175.54 1ap4 n ASP 3 N 3.26 1.18 0.22 0.27 8.00 -1.26 -4.52 116.55 123.70 1ap4 n ASP 3 Ca 0.08 -0.21 0.10 0.00 0.71 0.00 0.00 54.79 55.47 1ap4 n ASP 3 Cb 0.36 0.65 0.38 0.00 -0.02 0.00 0.00 41.12 42.48 1ap4 n ASP 3 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 1ap4 h ILE 4 N 0.00 0.42 0.03 0.53 3.07 -2.02 -3.27 117.51 116.27 1ap4 h ILE 4 Ca 0.00 -1.18 -0.35 0.00 1.55 0.00 0.00 64.86 64.88 1ap4 h ILE 4 Cb 0.00 1.87 -0.04 0.00 -0.27 0.00 0.00 36.82 38.38 1ap4 h ILE 4 CO 0.00 0.19 -1.97 -1.22 -1.05 0.00 0.00 178.15 174.10 1ap4 n TYR 5 N -3.26 0.68 -0.08 0.16 4.01 -1.26 -3.86 117.16 113.54 1ap4 n TYR 5 Ca 0.01 0.22 0.25 0.00 -0.16 0.00 0.00 57.90 58.22 1ap4 n TYR 5 Cb 0.48 -1.08 0.59 0.00 -0.31 0.00 0.00 39.34 39.01 1ap4 n TYR 5 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1ap4 h LYS 6 N -0.53 0.00 0.00 -0.72 1.79 -1.79 0.87 116.57 116.19 1ap4 h LYS 6 Ca -0.49 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 57.96 1ap4 h LYS 6 Cb 1.68 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.33 1ap4 h LYS 6 CO -0.16 0.00 -0.13 0.00 -1.08 0.00 0.00 179.45 178.08 1ap4 h ALA 7 N 0.97 0.02 -0.40 3.86 0.00 -1.71 -2.94 119.26 119.07 1ap4 h ALA 7 Ca 0.36 -0.47 0.09 0.00 0.00 0.00 0.00 54.91 54.89 1ap4 h ALA 7 Cb 2.10 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.95 1ap4 h ALA 7 CO -0.00 0.08 0.28 0.00 0.00 0.00 0.00 179.25 179.60 1ap4 h ALA 8 N -0.27 2.19 -0.10 0.00 0.00 -0.99 0.57 119.26 120.66 1ap4 h ALA 8 Ca -0.03 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.66 1ap4 h ALA 8 Cb 0.81 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.60 1ap4 h ALA 8 CO -0.02 -0.29 -0.76 0.28 0.00 0.00 0.00 179.25 178.46 1ap4 h VAL 9 N 0.14 1.31 0.00 0.00 2.07 -1.31 -3.22 116.25 115.24 1ap4 h VAL 9 Ca 0.19 -2.00 -0.18 0.00 0.82 0.00 0.00 66.70 65.53 1ap4 h VAL 9 Cb 0.56 2.16 -0.03 0.00 -1.52 0.00 0.00 31.29 32.46 1ap4 h VAL 9 CO -0.02 0.62 -0.85 -0.08 0.02 0.00 0.00 177.57 177.25 1ap4 h GLU 10 N 0.36 0.00 0.00 1.57 4.81 -1.11 -3.23 114.58 116.98 1ap4 h GLU 10 Ca -0.07 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1ap4 h GLU 10 Cb 1.40 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.78 1ap4 h GLU 10 CO 0.15 0.85 -0.07 1.96 -0.73 0.00 0.00 179.01 181.18 1ap4 h GLN 11 N 0.00 0.00 -6.20 1.92 7.50 0.07 -3.44 115.11 114.96 1ap4 h GLN 11 Ca -0.01 0.00 -0.55 0.00 0.50 0.00 0.00 58.65 58.59 1ap4 h GLN 11 Cb 1.65 0.00 0.23 0.00 0.05 0.00 0.00 27.48 29.41 1ap4 h GLN 11 CO 0.11 0.07 -1.49 1.28 -1.50 0.00 0.00 178.83 177.30 1ap4 n LEU 12 N -4.07 -4.39 -5.03 1.46 4.77 -1.22 -4.97 117.00 103.55 1ap4 n LEU 12 Ca -0.03 0.25 -0.20 0.00 -0.03 0.00 0.00 56.01 56.00 1ap4 n LEU 12 Cb 0.16 -0.88 0.07 0.00 -2.33 0.00 0.00 43.42 40.43 1ap4 n LEU 12 CO 0.32 -5.35 0.37 0.42 -1.33 0.00 0.00 177.39 171.81 1ap4 s THR 13 N -2.09 2.16 0.07 -5.08 -4.23 -1.26 -4.95 115.64 100.26 1ap4 s THR 13 Ca 0.45 -0.95 -0.21 0.00 -1.18 0.00 0.00 61.69 59.80 1ap4 s THR 13 Cb -0.21 -2.21 -0.11 0.00 1.34 0.00 0.00 72.50 71.31 1ap4 s THR 13 CO 0.78 0.00 1.56 -0.33 -0.54 0.00 0.00 174.62 176.09 1ap4 h GLU 14 N 0.11 0.24 -0.59 3.99 3.07 -1.98 -2.22 114.58 117.20 1ap4 h GLU 14 Ca -0.31 -0.06 0.17 0.00 -0.50 0.00 0.00 59.36 58.66 1ap4 h GLU 14 Cb 1.29 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 29.14 1ap4 h GLU 14 CO 0.41 0.39 0.78 1.05 -1.40 0.00 0.00 179.01 180.23 1ap4 h GLU 15 N 0.05 0.00 0.00 2.33 4.11 -2.00 0.42 114.58 119.49 1ap4 h GLU 15 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.48 1ap4 h GLU 15 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1ap4 h GLU 15 CO 0.00 0.00 -0.12 1.96 0.07 0.00 0.00 179.01 180.92 1ap4 h GLN 16 N 0.00 0.00 -0.88 1.06 1.08 -1.80 -3.31 115.11 111.26 1ap4 h GLN 16 Ca 0.28 0.00 0.25 0.00 -1.45 0.00 0.00 58.65 57.73 1ap4 h GLN 16 Cb 1.83 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 29.22 1ap4 h GLN 16 CO -0.00 0.00 0.88 0.87 -0.95 0.00 0.00 178.83 179.63 1ap4 h LYS 17 N -0.36 0.00 0.02 1.46 1.57 -1.06 0.23 116.57 118.43 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 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 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 0.94 0.86 2.35 -1.07 -2.30 115.58 116.33 1ap4 h ASN 18 Ca 0.42 -0.33 -0.22 0.00 -0.55 0.00 0.00 56.30 55.61 1ap4 h ASN 18 Cb 2.18 0.01 -0.03 0.00 0.05 0.00 0.00 38.32 40.52 1ap4 h ASN 18 CO -0.00 0.32 -1.08 -0.33 -1.65 0.00 0.00 177.43 174.68 1ap4 h GLU 19 N -0.38 0.00 -0.24 0.81 4.39 -0.84 -3.21 114.58 115.12 1ap4 h GLU 19 Ca -0.00 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 1ap4 h GLU 19 Cb 0.36 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1ap4 h GLU 19 CO 0.01 0.95 -0.08 0.74 -1.16 0.00 0.00 179.01 179.46 1ap4 h PHE 20 N 0.00 0.39 -0.03 4.33 -1.00 -0.73 -1.98 116.94 117.91 1ap4 h PHE 20 Ca -0.04 -0.04 -0.22 0.00 2.81 0.00 0.00 57.97 60.47 1ap4 h PHE 20 Cb 1.80 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 41.25 1ap4 h PHE 20 CO 0.00 0.46 -0.88 -0.22 -1.61 0.00 0.00 178.31 176.06 1ap4 h LYS 21 N 0.36 0.48 0.25 1.51 1.63 -1.46 -2.49 116.57 116.85 1ap4 h LYS 21 Ca 0.07 -0.47 -0.01 0.00 -0.85 0.00 0.00 60.65 59.39 1ap4 h LYS 21 Cb 0.37 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.13 1ap4 h LYS 21 CO 0.02 1.11 -0.12 0.00 -3.45 0.00 0.00 179.45 177.01 1ap4 h ALA 22 N 0.74 -0.65 -1.00 5.00 0.00 -1.48 -3.13 119.26 118.74 1ap4 h ALA 22 Ca -0.07 -0.07 0.21 0.00 0.00 0.00 0.00 54.91 54.98 1ap4 h ALA 22 Cb 1.51 0.13 -0.11 0.00 0.00 0.00 0.00 17.79 19.32 1ap4 h ALA 22 CO 0.16 -0.62 0.61 0.00 0.00 0.00 0.00 179.25 179.40 1ap4 h ALA 23 N -1.64 1.80 -0.52 0.00 0.00 -1.52 -0.91 119.26 116.47 1ap4 h ALA 23 Ca -0.03 0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.06 1ap4 h ALA 23 Cb 0.26 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.90 1ap4 h ALA 23 CO 0.06 -0.20 -0.21 0.35 0.00 0.00 0.00 179.25 179.25 1ap4 h PHE 24 N 0.66 -0.53 0.00 0.00 3.04 -1.46 0.95 116.94 119.60 1ap4 h PHE 24 Ca 0.59 0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.59 1ap4 h PHE 24 Cb 1.06 0.31 0.00 0.00 2.56 0.00 0.00 35.95 39.88 1ap4 h PHE 24 CO -0.00 -0.30 0.00 -0.25 -2.02 0.00 0.00 178.31 175.74 1ap4 n ASP 25 N -5.41 0.00 0.11 0.41 9.92 -0.36 -1.98 116.55 119.24 1ap4 n ASP 25 Ca 0.05 0.47 0.11 0.00 -0.53 0.00 0.00 54.79 54.89 1ap4 n ASP 25 Cb 0.32 -0.48 0.01 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 0.01 -0.01 0.53 2.04 0.11 -3.32 117.51 116.86 1ap4 h ILE 26 Ca 0.00 -1.01 0.00 0.00 1.00 0.00 0.00 64.86 64.85 1ap4 h ILE 26 Cb 0.20 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1ap4 h ILE 26 CO 0.00 0.00 -0.30 0.49 0.00 0.00 0.00 178.15 178.35 1ap4 n PHE 27 N -2.70 0.00 -0.17 1.37 3.72 -0.78 -3.82 117.46 115.09 1ap4 n PHE 27 Ca 0.00 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.51 1ap4 n PHE 27 Cb 0.55 -0.10 0.27 0.00 -0.94 0.00 0.00 39.48 39.26 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 -0.57 0.86 -0.02 -4.37 0.24 -1.22 -4.46 118.33 108.79 1ap4 n VAL 28 Ca 0.12 -0.93 0.22 0.00 -2.04 0.00 0.00 64.34 61.70 1ap4 n VAL 28 Cb 0.37 0.63 0.70 0.00 -1.47 0.00 0.00 33.84 34.07 1ap4 n VAL 28 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1ap4 h LEU 29 N 3.99 0.00 -2.20 1.34 -0.00 -1.73 0.52 115.31 117.22 1ap4 h LEU 29 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1ap4 h LEU 29 Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.60 1ap4 h LEU 29 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.05 1ap4 n GLY 30 N -1.64 1.65 3.95 0.83 0.00 -1.26 -4.95 105.19 103.77 1ap4 n GLY 30 Ca 0.11 -0.70 -0.28 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.44 2.57 -0.26 4.61 0.00 0.18 -5.00 121.76 122.42 1ap4 s ALA 31 Ca 0.39 -1.35 -0.07 0.00 0.00 0.00 0.00 51.96 50.93 1ap4 s ALA 31 Cb 0.22 -2.58 -0.15 0.00 0.00 0.00 0.00 23.12 20.60 1ap4 s ALA 31 CO 0.31 -2.24 -0.23 0.39 0.00 0.00 0.00 175.76 173.99 1ap4 n GLU 32 N -3.57 0.62 -0.04 0.00 1.02 -1.26 -4.71 120.64 112.70 1ap4 n GLU 32 Ca 0.15 0.23 -0.02 0.00 -0.02 0.00 0.00 57.16 57.50 1ap4 n GLU 32 Cb 0.60 -1.53 -0.08 0.00 -0.02 0.00 0.00 31.44 30.40 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 -3.79 2.46 0.00 1.62 5.68 -1.26 -4.98 116.55 116.27 1ap4 n ASP 33 Ca -0.48 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.81 1ap4 n ASP 33 Cb 0.93 0.94 0.00 0.00 -1.14 0.00 0.00 41.12 41.85 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 2.24 0.00 3.83 6.12 0.00 -1.26 -5.17 105.19 110.96 1ap4 n GLY 34 Ca -0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.45 3.57 -1.08 0.00 5.41 -1.14 -3.93 119.36 120.75 1ap4 n ILE 36 Ca 0.02 -5.54 -0.36 0.00 1.00 0.00 0.00 62.75 57.86 1ap4 n ILE 36 Cb 0.63 -1.89 0.05 0.00 -0.71 0.00 0.00 39.64 37.71 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 0.63 -4.24 0.32 4.38 7.64 -1.26 -3.34 113.62 117.75 1ap4 n SER 37 Ca 0.31 0.38 0.19 0.00 1.01 0.00 0.00 58.87 60.76 1ap4 n SER 37 Cb 0.37 -0.90 1.01 0.00 -1.01 0.00 0.00 64.21 63.68 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 -0.71 0.00 -0.43 0.44 1.03 -1.96 -0.93 112.91 110.34 1ap4 h THR 38 Ca -0.43 0.00 -0.12 0.00 -0.01 0.00 0.00 66.41 65.85 1ap4 h THR 38 Cb 1.34 0.82 -0.01 0.00 -1.07 0.00 0.00 68.15 69.23 1ap4 h THR 38 CO 0.32 0.00 -0.20 0.50 -0.01 0.00 0.00 175.52 176.13 1ap4 h LYS 39 N 0.00 0.86 -1.02 0.00 3.64 -1.96 -2.97 116.57 115.12 1ap4 h LYS 39 Ca 0.00 -0.35 -0.63 0.00 -1.27 0.00 0.00 60.65 58.40 1ap4 h LYS 39 Cb 0.26 -0.04 -0.29 0.00 -0.41 0.00 0.00 32.23 31.76 1ap4 h LYS 39 CO 0.00 0.99 0.82 -1.91 -2.27 0.00 0.00 179.45 177.07 1ap4 n GLU 40 N -4.12 2.57 -0.00 1.90 4.07 -0.36 -4.36 120.64 120.33 1ap4 n GLU 40 Ca 0.00 -3.17 -0.01 0.00 -0.06 0.00 0.00 57.16 53.93 1ap4 n GLU 40 Cb 0.43 -2.24 -0.00 0.00 -0.06 0.00 0.00 31.44 29.57 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 -0.92 1.58 0.10 4.31 -0.00 -1.12 -4.40 117.00 116.54 1ap4 n LEU 41 Ca 0.61 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 56.56 1ap4 n LEU 41 Cb 0.87 -0.03 -0.04 0.00 -0.00 0.00 0.00 43.42 44.22 1ap4 n LEU 41 CO 0.74 0.27 0.51 1.23 -0.00 0.00 0.00 177.39 180.15 1ap4 h GLY 42 N 0.02 -0.99 1.19 -3.96 0.00 -1.76 0.90 103.07 98.46 1ap4 h GLY 42 Ca -0.02 0.45 0.10 0.00 0.00 0.00 0.00 47.33 47.86 1ap4 h GLY 42 CO -0.01 -0.33 0.31 0.50 0.00 0.00 0.00 176.54 177.01 1ap4 h LYS 43 N -0.36 0.00 0.10 4.80 1.57 -1.87 -2.16 116.57 118.64 1ap4 h LYS 43 Ca -0.02 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1ap4 h LYS 43 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1ap4 h LYS 43 CO -0.05 0.00 -0.05 0.28 -0.57 0.00 0.00 179.45 179.06 1ap4 h VAL 44 N 0.00 1.05 -1.30 0.50 2.07 -1.40 -3.20 116.25 113.98 1ap4 h VAL 44 Ca 0.16 -1.34 0.40 0.00 0.82 0.00 0.00 66.70 66.75 1ap4 h VAL 44 Cb 0.78 1.81 -0.11 0.00 -1.52 0.00 0.00 31.29 32.25 1ap4 h VAL 44 CO -0.00 0.29 0.86 0.24 0.02 0.00 0.00 177.57 178.97 1ap4 h MET 45 N -0.83 0.13 -0.29 1.57 2.86 0.14 1.49 114.93 120.00 1ap4 h MET 45 Ca -0.01 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 1ap4 h MET 45 Cb 0.57 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 1ap4 h MET 45 CO 0.02 0.09 0.11 0.00 1.06 0.00 0.00 176.91 178.19 1ap4 h ARG 46 N 0.14 0.41 0.03 1.72 3.08 -1.46 0.52 114.38 118.82 1ap4 h ARG 46 Ca 0.76 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 60.65 1ap4 h ARG 46 Cb 2.41 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 32.39 1ap4 h ARG 46 CO -0.33 0.35 -0.43 0.52 -1.07 0.00 0.00 179.97 179.02 1ap4 h MET 47 N 0.41 0.25 -0.09 0.04 2.86 0.20 -3.18 114.93 115.41 1ap4 h MET 47 Ca 0.10 -0.30 0.03 0.00 -2.06 0.00 0.00 59.70 57.47 1ap4 h MET 47 Cb 0.10 0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 1ap4 h MET 47 CO -0.01 1.04 0.16 -0.07 1.06 0.00 0.00 176.91 179.09 1ap4 h LEU 48 N -0.41 0.00 0.00 1.22 3.38 -1.17 -3.44 115.31 114.89 1ap4 h LEU 48 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1ap4 h LEU 48 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1ap4 h LEU 48 CO 0.08 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.22 1ap4 n GLY 49 N -1.30 1.83 3.77 0.83 0.00 -0.87 -5.11 105.19 104.35 1ap4 n GLY 49 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.01 2.19 -0.42 1.61 1.11 0.18 -4.99 119.66 119.32 1ap4 s GLN 50 Ca 0.00 -2.15 0.08 0.00 0.01 0.00 0.00 55.36 53.31 1ap4 s GLN 50 Cb 0.00 -1.78 0.32 0.00 -1.01 0.00 0.00 33.01 30.54 1ap4 s GLN 50 CO 0.00 -0.33 0.92 0.09 0.01 0.00 0.00 175.29 175.98 1ap4 n ASN 51 N -1.34 -1.03 -4.76 5.90 3.02 -1.26 -3.09 115.26 112.70 1ap4 n ASN 51 Ca -0.09 -3.36 -0.30 0.00 -0.03 0.00 0.00 54.58 50.80 1ap4 n ASN 51 Cb 0.66 0.81 0.12 0.00 -0.61 0.00 0.00 39.78 40.76 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 -0.82 1.60 0.60 3.52 0.04 -1.26 -5.06 135.00 133.63 1ap4 s PRO 52 Ca 0.30 0.70 0.02 0.00 0.04 0.00 0.00 61.00 62.07 1ap4 s PRO 52 Cb 0.30 -1.86 0.07 0.00 0.04 0.00 0.00 34.50 33.06 1ap4 s PRO 52 CO -0.08 -1.97 0.83 0.95 0.04 0.00 0.00 177.00 176.78 1ap4 s THR 53 N -3.05 2.43 0.16 1.26 -4.23 -1.26 -4.98 115.64 105.97 1ap4 s THR 53 Ca 0.62 -0.72 0.16 0.00 -1.18 0.00 0.00 61.69 60.57 1ap4 s THR 53 Cb -0.16 -2.71 0.07 0.00 1.34 0.00 0.00 72.50 71.04 1ap4 s THR 53 CO 0.55 0.00 1.65 1.55 -0.54 0.00 0.00 174.62 177.83 1ap4 h PRO 54 N -0.07 0.00 0.00 3.99 0.13 -2.01 -2.79 132.00 131.26 1ap4 h PRO 54 Ca -0.38 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.59 1ap4 h PRO 54 Cb 1.28 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.39 1ap4 h PRO 54 CO 0.45 0.48 -0.97 0.93 -0.23 0.00 0.00 178.00 178.67 1ap4 h GLU 55 N 0.00 0.00 0.00 0.86 4.39 -2.04 -3.31 114.58 114.48 1ap4 h GLU 55 Ca -0.00 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.53 1ap4 h GLU 55 Cb 1.04 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.67 1ap4 h GLU 55 CO 0.06 0.54 -0.80 0.93 -1.16 0.00 0.00 179.01 178.58 1ap4 h GLU 56 N 0.00 0.00 0.00 2.33 4.39 -1.94 -3.36 114.58 116.01 1ap4 h GLU 56 Ca -0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1ap4 h GLU 56 Cb 1.57 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.22 1ap4 h GLU 56 CO 0.07 0.75 0.00 1.28 -1.16 0.00 0.00 179.01 179.95 1ap4 n LEU 57 N -3.28 0.00 -0.30 1.33 4.77 -1.06 0.10 117.00 118.57 1ap4 n LEU 57 Ca 0.00 0.62 0.00 0.00 -0.03 0.00 0.00 56.01 56.61 1ap4 n LEU 57 Cb 0.85 -0.12 0.07 0.00 -2.33 0.00 0.00 43.42 41.89 1ap4 n LEU 57 CO 0.44 -0.12 0.65 -0.61 -1.33 0.00 0.00 177.39 176.42 1ap4 h GLN 58 N 0.00 -0.04 -0.46 3.23 -0.00 -1.79 0.22 115.11 116.28 1ap4 h GLN 58 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 58.65 58.73 1ap4 h GLN 58 Cb 0.00 0.01 -0.07 0.00 0.00 0.00 0.00 27.48 27.42 1ap4 h GLN 58 CO 0.00 -0.02 0.05 1.49 0.00 0.00 0.00 178.83 180.35 1ap4 h GLU 59 N -0.04 0.17 0.00 1.69 4.57 -1.46 0.47 114.58 119.98 1ap4 h GLU 59 Ca 0.35 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.52 1ap4 h GLU 59 Cb 0.60 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 1ap4 h GLU 59 CO -0.87 0.11 0.00 -1.33 -1.18 0.00 0.00 179.01 175.75 1ap4 n MET 60 N -5.15 0.06 0.00 1.92 2.81 0.29 -1.51 117.12 115.54 1ap4 n MET 60 Ca 0.04 0.45 0.04 0.00 -1.81 0.00 0.00 57.70 56.42 1ap4 n MET 60 Cb 0.23 -1.67 0.01 0.00 -0.71 0.00 0.00 33.22 31.09 1ap4 n MET 60 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1ap4 n ILE 61 N -1.80 0.00 0.34 2.02 5.41 0.11 -4.41 119.36 121.03 1ap4 n ILE 61 Ca 0.01 -0.45 0.10 0.00 1.00 0.00 0.00 62.75 63.41 1ap4 n ILE 61 Cb 0.09 1.12 0.17 0.00 -0.71 0.00 0.00 39.64 40.31 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 0.01 3.12 -0.01 4.38 2.03 0.12 -3.64 116.55 122.57 1ap4 n ASP 62 Ca 0.04 -1.91 0.00 0.00 0.52 0.00 0.00 54.79 53.44 1ap4 n ASP 62 Cb 0.18 -0.18 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 1ap4 n ASP 62 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ap4 n GLU 63 N 1.23 1.76 -0.00 -0.67 -0.58 -1.17 -4.65 120.64 116.56 1ap4 n GLU 63 Ca 0.16 -0.02 0.09 0.00 -0.42 0.00 0.00 57.16 56.96 1ap4 n GLU 63 Cb 0.53 -1.12 -0.12 0.00 -0.57 0.00 0.00 31.44 30.17 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 -1.93 0.00 -1.61 2.62 3.14 -1.26 -4.94 118.33 114.36 1ap4 n VAL 64 Ca -0.04 -0.21 -0.50 0.00 -2.96 0.00 0.00 64.34 60.62 1ap4 n VAL 64 Cb 0.39 0.64 -0.06 0.00 -1.06 0.00 0.00 33.84 33.75 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 -1.70 2.87 0.05 6.55 -0.08 -1.24 -4.83 116.55 118.16 1ap4 n ASP 65 Ca 0.01 0.74 -0.21 0.00 -1.51 0.00 0.00 54.79 53.82 1ap4 n ASP 65 Cb 0.36 -1.32 -0.14 0.00 2.34 0.00 0.00 41.12 42.35 1ap4 n ASP 65 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1ap4 h GLU 66 N 10.49 0.31 0.00 -0.67 4.81 -1.93 -3.35 114.58 124.24 1ap4 h GLU 66 Ca -0.41 -0.53 0.00 0.00 -0.13 0.00 0.00 59.36 58.29 1ap4 h GLU 66 Cb 1.29 0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.87 1ap4 h GLU 66 CO 0.97 1.21 -0.78 0.38 -0.73 0.00 0.00 179.01 180.06 1ap4 h ASP 67 N 0.08 0.00 -2.56 1.04 3.04 -1.96 -3.48 116.42 112.59 1ap4 h ASP 67 Ca -0.34 -0.20 -0.25 0.00 -3.24 0.00 0.00 57.03 53.00 1ap4 h ASP 67 Cb 2.06 0.00 0.02 0.00 -1.04 0.00 0.00 39.33 40.38 1ap4 h ASP 67 CO 0.15 0.10 -0.35 0.61 -2.04 0.00 0.00 179.24 177.70 1ap4 n GLY 68 N 1.31 -0.08 0.08 7.15 0.00 -1.26 -4.90 105.19 107.50 1ap4 n GLY 68 Ca 0.02 -0.27 0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.69 0.75 0.00 1.61 3.41 -1.26 -4.93 113.62 112.51 1ap4 n SER 69 Ca -0.09 0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 1ap4 n SER 69 Cb 0.59 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 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 1.32 2.97 3.92 5.00 0.00 -1.26 -5.03 105.19 112.11 1ap4 n GLY 70 Ca 0.04 -0.16 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.43 5.07 -0.36 2.61 -4.23 -1.26 -4.36 115.64 110.67 1ap4 s THR 71 Ca 0.00 -0.19 -0.16 0.00 -1.18 0.00 0.00 61.69 60.16 1ap4 s THR 71 Cb 0.00 -3.80 -0.01 0.00 1.34 0.00 0.00 72.50 70.04 1ap4 s THR 71 CO 0.00 -0.45 0.40 -0.69 -0.54 0.00 0.00 174.62 173.34 1ap4 s VAL 72 N -2.22 5.13 0.52 2.29 1.01 -1.21 -4.91 120.40 121.01 1ap4 s VAL 72 Ca 0.42 0.03 -0.03 0.00 0.00 0.00 0.00 61.98 62.41 1ap4 s VAL 72 Cb -0.10 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1ap4 s VAL 72 CO 0.34 -0.16 0.78 -0.62 0.00 0.00 0.00 175.10 175.44 1ap4 s ASP 73 N 1.75 5.75 0.46 3.32 2.15 -1.26 -2.90 116.67 125.93 1ap4 s ASP 73 Ca 0.13 0.52 0.31 0.00 0.43 0.00 0.00 52.55 53.94 1ap4 s ASP 73 Cb -0.16 -1.65 1.43 0.00 -0.30 0.00 0.00 42.92 42.23 1ap4 s ASP 73 CO 0.12 -0.86 1.65 0.15 -0.17 0.00 0.00 175.17 176.06 1ap4 h PHE 74 N 0.13 0.43 0.24 -5.34 3.04 -1.96 1.72 116.94 115.20 1ap4 h PHE 74 Ca -0.46 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.50 1ap4 h PHE 74 Cb 1.25 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 39.65 1ap4 h PHE 74 CO 0.47 -0.13 -0.12 -0.44 -2.02 0.00 0.00 178.31 176.07 1ap4 h ASP 75 N 0.11 -0.28 -0.39 0.41 3.32 -2.00 -2.17 116.42 115.43 1ap4 h ASP 75 Ca 0.78 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.83 1ap4 h ASP 75 Cb 2.54 0.07 -0.02 0.00 0.22 0.00 0.00 39.33 42.14 1ap4 h ASP 75 CO -0.32 -0.06 0.22 -0.33 -1.72 0.00 0.00 179.24 177.03 1ap4 h GLU 76 N -0.60 0.57 -0.52 3.56 5.08 -1.55 -1.41 114.58 119.71 1ap4 h GLU 76 Ca -0.03 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1ap4 h GLU 76 Cb 0.25 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 1ap4 h GLU 76 CO 0.06 0.43 0.30 0.35 -1.00 0.00 0.00 179.01 179.14 1ap4 h PHE 77 N 0.58 0.68 -0.05 4.33 3.57 0.25 -0.11 116.94 126.18 1ap4 h PHE 77 Ca 0.15 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.56 1ap4 h PHE 77 Cb 0.03 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.55 1ap4 h PHE 77 CO 0.00 0.46 -0.32 -0.07 -2.23 0.00 0.00 178.31 176.16 1ap4 h LEU 78 N 0.71 0.36 0.75 0.59 3.38 -0.59 -3.16 115.31 117.35 1ap4 h LEU 78 Ca 0.19 -0.68 -0.04 0.00 0.09 0.00 0.00 57.88 57.44 1ap4 h LEU 78 Cb -0.01 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.64 1ap4 h LEU 78 CO -0.03 0.98 -0.36 0.58 0.09 0.00 0.00 178.44 179.70 1ap4 h VAL 79 N -0.24 0.23 -1.51 1.22 2.07 -1.10 -1.89 116.25 115.03 1ap4 h VAL 79 Ca -0.03 -0.08 0.45 0.00 0.82 0.00 0.00 66.70 67.87 1ap4 h VAL 79 Cb 0.99 0.25 -0.08 0.00 -1.52 0.00 0.00 31.29 30.93 1ap4 h VAL 79 CO 0.06 0.01 1.06 0.00 0.02 0.00 0.00 177.57 178.72 1ap4 h MET 80 N -1.06 0.05 0.09 1.57 -0.00 -1.14 0.34 114.93 114.78 1ap4 h MET 80 Ca -0.10 -0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.59 1ap4 h MET 80 Cb 0.78 -0.01 0.00 0.00 -0.00 0.00 0.00 31.60 32.37 1ap4 h MET 80 CO 0.17 0.03 -0.05 0.52 -0.00 0.00 0.00 176.91 177.58 1ap4 h MET 81 N 0.05 -0.12 -1.08 -0.10 2.07 -1.35 -3.21 114.93 111.19 1ap4 h MET 81 Ca 0.78 0.01 0.30 0.00 -2.07 0.00 0.00 59.70 58.72 1ap4 h MET 81 Cb 2.87 0.03 -0.06 0.00 -1.87 0.00 0.00 31.60 32.56 1ap4 h MET 81 CO -0.14 -0.08 0.75 -0.24 1.07 0.00 0.00 176.91 178.27 1ap4 h VAL 82 N -0.34 0.48 0.11 -2.22 3.04 -0.50 -0.70 116.25 116.12 1ap4 h VAL 82 Ca -0.01 -0.05 0.02 0.00 -1.01 0.00 0.00 66.70 65.65 1ap4 h VAL 82 Cb 0.10 0.33 -0.04 0.00 -2.01 0.00 0.00 31.29 29.67 1ap4 h VAL 82 CO 0.02 0.02 -0.33 0.03 -1.01 0.00 0.00 177.57 176.30 1ap4 h ARG 83 N 0.13 -0.53 -0.14 4.17 3.08 -0.42 -2.37 114.38 118.31 1ap4 h ARG 83 Ca 0.55 0.04 -0.15 0.00 0.07 0.00 0.00 59.98 60.48 1ap4 h ARG 83 Cb 1.90 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 32.06 1ap4 h ARG 83 CO -0.10 -0.35 -0.56 0.00 -1.07 0.00 0.00 179.97 177.89 1ap4 h MET 85 N 0.31 -0.29 -5.75 0.00 2.86 -0.78 -3.39 114.93 107.89 1ap4 h MET 85 Ca 0.00 0.02 -0.68 0.00 -2.06 0.00 0.00 59.70 56.98 1ap4 h MET 85 Cb 1.07 0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.75 1ap4 h MET 85 CO 0.10 -0.20 1.45 1.63 1.06 0.00 0.00 176.91 180.95 1ap4 n LYS 86 N -5.42 0.18 0.00 1.72 4.76 -0.99 -4.79 118.16 113.63 1ap4 n LYS 86 Ca -0.00 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.48 1ap4 n LYS 86 Cb 0.35 -1.69 0.00 0.00 -1.84 0.00 0.00 35.03 31.85 1ap4 n LYS 86 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1ap4 n ASP 87 N 8.79 0.00 -0.08 4.39 -0.08 -1.26 -5.03 116.55 123.28 1ap4 n ASP 87 Ca 0.55 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 53.75 1ap4 n ASP 87 Cb 0.03 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.48 1ap4 n ASP 87 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 1ap4 h ASP 88 N 0.00 0.17 0.00 1.67 3.58 -1.97 -3.55 116.42 116.32 1ap4 h ASP 88 Ca 0.00 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1ap4 h ASP 88 Cb 0.00 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.04 1ap4 h ASP 88 CO 0.00 0.13 0.00 -1.54 -2.88 0.00 0.00 179.24 174.95