#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 4.62 0.00 6.12 9.92 -1.26 -4.68 116.55 131.28 1ap4 n ASP 2 Ca 0.00 -3.70 0.00 0.00 -0.53 0.00 0.00 54.79 50.56 1ap4 n ASP 2 Cb 0.00 -0.47 0.00 0.00 -0.64 0.00 0.00 41.12 40.01 1ap4 n ASP 2 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1ap4 n ASP 3 N -0.46 4.21 0.19 -2.24 5.68 -1.26 -4.54 116.55 118.14 1ap4 n ASP 3 Ca 0.38 0.00 0.07 0.00 -0.50 0.00 0.00 54.79 54.74 1ap4 n ASP 3 Cb 0.65 0.51 0.33 0.00 -1.14 0.00 0.00 41.12 41.46 1ap4 n ASP 3 CO 0.00 0.00 0.00 0.16 -1.33 0.00 0.00 177.20 176.03 1ap4 h ILE 4 N 0.00 0.75 0.14 2.12 3.07 -2.02 -3.23 117.51 118.33 1ap4 h ILE 4 Ca 0.00 -1.49 -0.19 0.00 1.55 0.00 0.00 64.86 64.73 1ap4 h ILE 4 Cb 0.67 1.95 0.02 0.00 -0.27 0.00 0.00 36.82 39.19 1ap4 h ILE 4 CO 0.00 0.33 -0.87 1.88 -1.05 0.00 0.00 178.15 178.44 1ap4 h TYR 5 N 0.00 0.54 -0.89 0.16 0.05 -1.89 -3.05 116.97 111.89 1ap4 h TYR 5 Ca -0.00 -0.39 0.24 0.00 0.05 0.00 0.00 58.73 58.62 1ap4 h TYR 5 Cb 0.93 -0.02 -0.15 0.00 1.01 0.00 0.00 36.73 38.50 1ap4 h TYR 5 CO 0.00 1.33 0.18 0.87 -1.05 0.00 0.00 178.16 179.49 1ap4 h LYS 6 N -0.36 0.14 -0.10 4.88 1.57 -1.79 0.86 116.57 121.77 1ap4 h LYS 6 Ca -0.16 -0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.47 1ap4 h LYS 6 Cb 1.66 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.92 1ap4 h LYS 6 CO 0.15 0.09 -0.58 0.00 -0.57 0.00 0.00 179.45 178.54 1ap4 h ALA 7 N 1.82 0.83 -1.00 3.86 0.00 -1.65 -3.03 119.26 120.09 1ap4 h ALA 7 Ca 0.56 -0.52 0.10 0.00 0.00 0.00 0.00 54.91 55.04 1ap4 h ALA 7 Cb 1.14 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.77 1ap4 h ALA 7 CO -0.71 0.71 0.64 0.00 0.00 0.00 0.00 179.25 179.88 1ap4 h ALA 8 N 1.14 1.48 -0.11 0.00 0.00 0.84 0.59 119.26 123.20 1ap4 h ALA 8 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1ap4 h ALA 8 Cb 1.08 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1ap4 h ALA 8 CO 0.09 0.31 -0.13 0.28 0.00 0.00 0.00 179.25 179.81 1ap4 h VAL 9 N 1.07 1.16 -0.06 0.00 2.07 -1.22 -2.71 116.25 116.56 1ap4 h VAL 9 Ca 0.47 -0.69 -0.24 0.00 0.82 0.00 0.00 66.70 67.06 1ap4 h VAL 9 Cb 0.36 1.22 0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1ap4 h VAL 9 CO -0.22 0.21 -0.91 -0.33 0.02 0.00 0.00 177.57 176.34 1ap4 h GLU 10 N 0.16 0.67 -0.02 1.57 4.39 -0.96 -3.06 114.58 117.32 1ap4 h GLU 10 Ca 0.03 -0.64 0.01 0.00 0.34 0.00 0.00 59.36 59.10 1ap4 h GLU 10 Cb 0.33 0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1ap4 h GLU 10 CO 0.02 1.24 0.45 1.96 -1.16 0.00 0.00 179.01 181.52 1ap4 h GLN 11 N 0.41 0.00 -6.52 2.33 7.50 -0.97 -3.40 115.11 114.46 1ap4 h GLN 11 Ca -0.09 0.00 -0.53 0.00 0.50 0.00 0.00 58.65 58.53 1ap4 h GLN 11 Cb 1.55 0.00 0.03 0.00 0.05 0.00 0.00 27.48 29.11 1ap4 h GLN 11 CO 0.18 0.00 0.95 -0.51 -1.50 0.00 0.00 178.83 177.95 1ap4 s LEU 12 N -5.71 4.37 0.66 1.46 1.43 -1.16 -4.94 118.68 114.79 1ap4 s LEU 12 Ca -0.03 2.55 -0.17 0.00 -1.03 0.00 0.00 54.13 55.45 1ap4 s LEU 12 Cb 0.08 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.71 1ap4 s LEU 12 CO 0.24 -0.87 1.21 0.35 0.23 0.00 0.00 176.35 177.52 1ap4 n THR 13 N 4.40 4.34 -0.28 5.49 -2.24 -1.26 -4.72 114.28 120.01 1ap4 n THR 13 Ca 0.15 -0.46 0.09 0.00 -2.27 0.00 0.00 64.05 61.56 1ap4 n THR 13 Cb 0.40 -1.38 0.22 0.00 -2.10 0.00 0.00 70.33 67.47 1ap4 n THR 13 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1ap4 h GLU 14 N 0.31 0.17 -0.36 -0.78 4.11 -1.92 0.86 114.58 116.97 1ap4 h GLU 14 Ca -0.50 -0.01 0.11 0.00 0.07 0.00 0.00 59.36 59.03 1ap4 h GLU 14 Cb 1.34 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 1ap4 h GLU 14 CO 0.51 0.11 0.30 1.05 0.07 0.00 0.00 179.01 181.05 1ap4 h GLU 15 N 0.17 0.00 0.08 1.06 4.11 -1.98 -0.77 114.58 117.26 1ap4 h GLU 15 Ca 0.48 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.91 1ap4 h GLU 15 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1ap4 h GLU 15 CO -0.65 0.00 -0.04 0.37 0.07 0.00 0.00 179.01 178.77 1ap4 h GLN 16 N 0.00 -0.11 -0.99 1.06 5.75 0.46 -0.68 115.11 120.60 1ap4 h GLN 16 Ca 0.17 0.01 0.18 0.00 -0.15 0.00 0.00 58.65 58.86 1ap4 h GLN 16 Cb 0.76 0.02 -0.10 0.00 1.07 0.00 0.00 27.48 29.24 1ap4 h GLN 16 CO -0.00 -0.07 0.61 0.87 -2.65 0.00 0.00 178.83 177.59 1ap4 h LYS 17 N -0.16 0.73 -0.36 1.69 1.57 -1.45 -0.12 116.57 118.47 1ap4 h LYS 17 Ca -0.01 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1ap4 h LYS 17 Cb 0.08 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1ap4 h LYS 17 CO 0.02 0.48 0.22 -0.91 -0.57 0.00 0.00 179.45 178.69 1ap4 h ASN 18 N 0.75 0.43 -0.48 0.86 2.35 -1.16 -0.76 115.58 117.56 1ap4 h ASN 18 Ca 0.55 -0.05 0.06 0.00 -0.55 0.00 0.00 56.30 56.31 1ap4 h ASN 18 Cb 0.88 -0.11 -0.05 0.00 0.05 0.00 0.00 38.32 39.09 1ap4 h ASN 18 CO -0.34 0.36 0.18 -0.33 -1.65 0.00 0.00 177.43 175.65 1ap4 h GLU 19 N 0.47 0.35 -0.30 0.81 5.08 0.58 -0.84 114.58 120.73 1ap4 h GLU 19 Ca 0.13 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1ap4 h GLU 19 Cb 0.01 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1ap4 h GLU 19 CO -0.02 0.23 -0.02 0.74 -1.00 0.00 0.00 179.01 178.93 1ap4 h PHE 20 N 0.36 0.49 -0.55 4.33 0.04 -1.05 -2.82 116.94 117.74 1ap4 h PHE 20 Ca 0.23 -0.05 0.11 0.00 2.80 0.00 0.00 57.97 61.06 1ap4 h PHE 20 Cb 0.23 -0.14 -0.09 0.00 2.20 0.00 0.00 35.95 38.14 1ap4 h PHE 20 CO -0.15 0.50 -0.02 -0.22 -0.60 0.00 0.00 178.31 177.82 1ap4 h LYS 21 N 0.45 0.09 -0.22 1.51 1.63 0.36 0.66 116.57 121.06 1ap4 h LYS 21 Ca 0.10 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.89 1ap4 h LYS 21 Cb 0.34 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.94 1ap4 h LYS 21 CO 0.01 0.06 0.13 0.00 -3.45 0.00 0.00 179.45 176.20 1ap4 h ALA 22 N 1.50 0.28 -0.36 5.00 0.00 -1.39 -2.91 119.26 121.38 1ap4 h ALA 22 Ca 0.28 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1ap4 h ALA 22 Cb 0.44 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1ap4 h ALA 22 CO -0.48 -0.20 0.12 0.00 0.00 0.00 0.00 179.25 178.69 1ap4 h ALA 23 N 1.02 0.47 -0.94 0.00 0.00 -1.18 -2.69 119.26 115.95 1ap4 h ALA 23 Ca 0.08 -0.15 0.27 0.00 0.00 0.00 0.00 54.91 55.11 1ap4 h ALA 23 Cb 0.05 -0.14 -0.15 0.00 0.00 0.00 0.00 17.79 17.55 1ap4 h ALA 23 CO -0.01 0.10 0.38 0.35 0.00 0.00 0.00 179.25 180.07 1ap4 h PHE 24 N 0.43 0.60 0.00 0.00 3.57 0.47 2.15 116.94 124.15 1ap4 h PHE 24 Ca 0.12 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1ap4 h PHE 24 Cb 0.24 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.86 1ap4 h PHE 24 CO 0.01 -0.20 0.00 -0.44 -2.23 0.00 0.00 178.31 175.45 1ap4 h ASP 25 N 0.26 0.00 -0.04 0.41 3.32 -1.33 -3.05 116.42 115.98 1ap4 h ASP 25 Ca 0.63 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 57.47 1ap4 h ASP 25 Cb 1.35 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.92 1ap4 h ASP 25 CO -0.64 0.00 -0.78 0.40 -1.72 0.00 0.00 179.24 176.50 1ap4 h ILE 26 N 0.00 1.34 -0.12 0.35 1.08 0.36 -3.23 117.51 117.29 1ap4 h ILE 26 Ca 0.00 -2.08 -0.10 0.00 -0.39 0.00 0.00 64.86 62.29 1ap4 h ILE 26 Cb 0.49 2.35 -0.01 0.00 -3.07 0.00 0.00 36.82 36.58 1ap4 h ILE 26 CO 0.00 0.63 -0.36 -0.26 -0.69 0.00 0.00 178.15 177.47 1ap4 h PHE 27 N 0.23 0.29 -0.26 1.37 0.04 -1.35 -2.57 116.94 114.68 1ap4 h PHE 27 Ca -0.09 -0.07 -0.08 0.00 2.80 0.00 0.00 57.97 60.53 1ap4 h PHE 27 Cb 1.45 -0.07 -0.05 0.00 2.20 0.00 0.00 35.95 39.48 1ap4 h PHE 27 CO 0.12 0.58 0.10 1.33 -0.60 0.00 0.00 178.31 179.84 1ap4 n VAL 28 N -4.07 1.32 -1.51 -0.55 0.24 -1.19 -4.80 118.33 107.77 1ap4 n VAL 28 Ca -0.01 -0.56 -0.34 0.00 -2.04 0.00 0.00 64.34 61.39 1ap4 n VAL 28 Cb 0.44 -0.61 -0.14 0.00 -1.47 0.00 0.00 33.84 32.07 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 0.09 0.40 -1.67 1.34 4.77 -0.97 0.11 117.00 121.06 1ap4 n LEU 29 Ca 0.15 -0.22 -0.12 0.00 -0.03 0.00 0.00 56.01 55.78 1ap4 n LEU 29 Cb 0.73 -1.01 0.01 0.00 -2.33 0.00 0.00 43.42 40.81 1ap4 n LEU 29 CO 0.16 -1.17 -0.05 0.61 -1.33 0.00 0.00 177.39 175.61 1ap4 n GLY 30 N 6.22 -0.04 3.68 -0.72 0.00 -1.26 -5.00 105.19 108.08 1ap4 n GLY 30 Ca 0.60 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.80 0.99 0.00 4.61 0.00 0.31 -4.97 121.76 119.89 1ap4 s ALA 31 Ca 0.12 -0.30 -0.12 0.00 0.00 0.00 0.00 51.96 51.65 1ap4 s ALA 31 Cb -0.05 -3.13 -0.33 0.00 0.00 0.00 0.00 23.12 19.60 1ap4 s ALA 31 CO 0.15 -2.81 0.88 0.93 0.00 0.00 0.00 175.76 174.92 1ap4 h GLU 32 N -1.87 0.45 0.00 0.00 5.08 -1.94 -3.38 114.58 112.92 1ap4 h GLU 32 Ca -0.54 -0.77 -0.00 0.00 -1.00 0.00 0.00 59.36 57.05 1ap4 h GLU 32 Cb 1.32 0.29 -0.00 0.00 0.50 0.00 0.00 28.75 30.86 1ap4 h GLU 32 CO 0.57 1.36 -1.49 -0.40 -1.00 0.00 0.00 179.01 178.05 1ap4 n ASP 33 N -3.64 2.57 -0.06 1.42 5.75 -1.26 -5.01 116.55 116.32 1ap4 n ASP 33 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.59 1ap4 n ASP 33 Cb 1.09 1.47 0.00 0.00 -1.03 0.00 0.00 41.12 42.65 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 1.91 1.18 3.63 6.12 0.00 -1.26 -5.11 105.19 111.65 1ap4 n GLY 34 Ca -0.02 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.94 4.72 0.03 0.00 1.01 -1.10 -4.13 121.20 118.80 1ap4 s ILE 36 Ca 0.24 -0.26 -0.29 0.00 0.00 0.00 0.00 60.65 60.34 1ap4 s ILE 36 Cb 0.06 -3.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 1ap4 s ILE 36 CO 0.12 0.14 0.93 -0.55 0.00 0.00 0.00 174.94 175.59 1ap4 s SER 37 N 1.65 7.37 0.66 3.58 0.15 -1.26 -1.84 113.70 124.01 1ap4 s SER 37 Ca 0.05 1.65 0.34 0.00 0.70 0.00 0.00 55.95 58.69 1ap4 s SER 37 Cb -0.17 -2.56 1.84 0.00 -1.71 0.00 0.00 66.02 63.43 1ap4 s SER 37 CO 0.07 -0.16 2.04 0.00 1.20 0.00 0.00 173.24 176.39 1ap4 h THR 38 N 4.50 0.03 0.00 6.45 1.03 -1.96 0.16 112.91 123.12 1ap4 h THR 38 Ca -0.42 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 65.98 1ap4 h THR 38 Cb 1.21 0.76 -0.00 0.00 -1.07 0.00 0.00 68.15 69.05 1ap4 h THR 38 CO 0.74 0.00 -0.01 0.50 -0.01 0.00 0.00 175.52 176.73 1ap4 h LYS 39 N 0.00 0.00 -0.01 0.00 3.64 -1.93 -1.87 116.57 116.39 1ap4 h LYS 39 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1ap4 h LYS 39 Cb 0.50 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1ap4 h LYS 39 CO -0.00 0.01 -0.22 0.39 -2.27 0.00 0.00 179.45 177.36 1ap4 n GLU 40 N -4.44 1.57 -0.31 1.90 4.71 0.03 -4.51 120.64 119.59 1ap4 n GLU 40 Ca -0.03 -1.04 -0.01 0.00 -0.01 0.00 0.00 57.16 56.08 1ap4 n GLU 40 Cb 0.10 -1.29 0.12 0.00 -1.01 0.00 0.00 31.44 29.36 1ap4 n GLU 40 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 1ap4 h LEU 41 N 2.28 0.90 0.00 -4.62 6.46 -1.16 -0.84 115.31 118.32 1ap4 h LEU 41 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1ap4 h LEU 41 Cb 0.60 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.34 1ap4 h LEU 41 CO 0.00 0.60 0.00 0.61 -0.62 0.00 0.00 178.44 179.03 1ap4 n GLY 42 N -1.33 -3.05 0.36 3.75 0.00 -1.26 0.16 105.19 103.82 1ap4 n GLY 42 Ca 0.11 0.38 0.18 0.00 0.00 0.00 0.00 46.02 46.69 1ap4 n GLY 42 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ap4 h LYS 43 N 0.00 0.00 0.18 1.61 2.10 -1.87 -1.98 116.57 116.61 1ap4 h LYS 43 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1ap4 h LYS 43 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1ap4 h LYS 43 CO 0.00 0.00 -0.09 0.28 -2.00 0.00 0.00 179.45 177.64 1ap4 h VAL 44 N 0.00 0.79 -0.97 0.07 2.07 0.55 -3.03 116.25 115.74 1ap4 h VAL 44 Ca 0.11 -1.08 0.28 0.00 0.82 0.00 0.00 66.70 66.83 1ap4 h VAL 44 Cb 0.72 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.77 1ap4 h VAL 44 CO -0.00 0.20 0.78 0.24 0.02 0.00 0.00 177.57 178.81 1ap4 h MET 45 N -0.87 0.00 -0.29 1.57 2.86 0.24 0.37 114.93 118.80 1ap4 h MET 45 Ca -0.02 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.48 1ap4 h MET 45 Cb 0.52 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.17 1ap4 h MET 45 CO 0.04 0.00 -0.35 0.00 1.06 0.00 0.00 176.91 177.66 1ap4 h ARG 46 N 0.00 0.75 0.06 1.72 3.08 -1.31 1.81 114.38 120.48 1ap4 h ARG 46 Ca 0.46 -0.42 0.01 0.00 0.07 0.00 0.00 59.98 60.10 1ap4 h ARG 46 Cb 2.01 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 32.07 1ap4 h ARG 46 CO -0.00 1.04 -0.12 0.52 -1.07 0.00 0.00 179.97 180.34 1ap4 h MET 47 N 0.50 -0.22 -0.84 0.04 2.86 -0.15 -2.45 114.93 114.67 1ap4 h MET 47 Ca 0.04 0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 1ap4 h MET 47 Cb 0.93 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.60 1ap4 h MET 47 CO 0.08 -0.15 0.47 -0.07 1.06 0.00 0.00 176.91 178.31 1ap4 h LEU 48 N -0.23 1.04 0.00 1.22 3.38 -1.53 -3.46 115.31 115.74 1ap4 h LEU 48 Ca 0.02 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1ap4 h LEU 48 Cb 0.25 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1ap4 h LEU 48 CO -0.07 0.83 0.00 0.61 0.09 0.00 0.00 178.44 179.89 1ap4 n GLY 49 N -1.18 0.63 3.43 0.83 0.00 -0.77 -5.13 105.19 102.99 1ap4 n GLY 49 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 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 1.57 -0.36 1.61 -0.21 0.61 -4.96 119.66 117.91 1ap4 s GLN 50 Ca 0.00 -1.72 0.13 0.00 0.02 0.00 0.00 55.36 53.78 1ap4 s GLN 50 Cb 0.00 -1.54 0.36 0.00 1.00 0.00 0.00 33.01 32.83 1ap4 s GLN 50 CO 0.00 0.27 0.76 0.27 -2.12 0.00 0.00 175.29 174.46 1ap4 n ASN 51 N -0.55 0.89 -4.79 5.90 6.94 -1.26 -2.74 115.26 119.65 1ap4 n ASN 51 Ca -0.06 -2.98 -0.35 0.00 -0.02 0.00 0.00 54.58 51.17 1ap4 n ASN 51 Cb 0.60 -0.60 -0.02 0.00 -2.36 0.00 0.00 39.78 37.40 1ap4 n ASN 51 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1ap4 s PRO 52 N -2.50 3.77 1.15 -0.53 0.04 -1.26 -5.03 135.00 130.64 1ap4 s PRO 52 Ca 0.38 1.51 -0.18 0.00 0.04 0.00 0.00 61.00 62.75 1ap4 s PRO 52 Cb 0.36 -2.21 0.26 0.00 0.04 0.00 0.00 34.50 32.96 1ap4 s PRO 52 CO -0.07 -0.48 1.11 0.95 0.04 0.00 0.00 177.00 178.55 1ap4 s THR 53 N -1.80 1.70 0.16 1.26 -4.23 -1.26 -4.88 115.64 106.59 1ap4 s THR 53 Ca 0.66 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 61.12 1ap4 s THR 53 Cb -0.21 -2.49 -0.09 0.00 1.34 0.00 0.00 72.50 71.05 1ap4 s THR 53 CO 0.25 0.00 1.44 1.55 -0.54 0.00 0.00 174.62 177.32 1ap4 h PRO 54 N -2.42 0.59 0.03 3.99 0.13 -2.01 -3.06 132.00 129.25 1ap4 h PRO 54 Ca -0.47 -0.42 -0.21 0.00 -0.87 0.00 0.00 66.00 64.02 1ap4 h PRO 54 Cb 1.30 0.07 0.02 0.00 0.13 0.00 0.00 31.00 32.52 1ap4 h PRO 54 CO 0.40 1.04 -0.84 0.93 -0.23 0.00 0.00 178.00 179.30 1ap4 h GLU 55 N 0.43 0.52 -0.88 0.86 5.08 -2.02 -3.26 114.58 115.31 1ap4 h GLU 55 Ca -0.01 -0.60 0.15 0.00 -1.00 0.00 0.00 59.36 57.90 1ap4 h GLU 55 Cb 1.22 0.18 -0.10 0.00 0.50 0.00 0.00 28.75 30.55 1ap4 h GLU 55 CO 0.12 1.22 0.47 0.93 -1.00 0.00 0.00 179.01 180.75 1ap4 h GLU 56 N 0.08 0.63 0.00 2.33 5.08 -1.93 -1.41 114.58 119.37 1ap4 h GLU 56 Ca -0.11 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1ap4 h GLU 56 Cb 1.54 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.65 1ap4 h GLU 56 CO 0.16 0.42 0.00 1.28 -1.00 0.00 0.00 179.01 179.87 1ap4 n LEU 57 N -4.85 0.00 -0.18 1.33 4.32 -1.16 0.15 117.00 116.61 1ap4 n LEU 57 Ca 0.18 0.42 0.29 0.00 -0.02 0.00 0.00 56.01 56.89 1ap4 n LEU 57 Cb 0.46 0.00 0.72 0.00 -1.62 0.00 0.00 43.42 42.98 1ap4 n LEU 57 CO 0.21 0.00 1.27 -0.61 -1.22 0.00 0.00 177.39 177.04 1ap4 h GLN 58 N 0.00 0.00 -0.16 3.23 5.75 -1.71 0.70 115.11 122.92 1ap4 h GLN 58 Ca 0.00 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.41 1ap4 h GLN 58 Cb 0.00 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 1ap4 h GLN 58 CO 0.00 0.00 -0.28 1.49 -2.65 0.00 0.00 178.83 177.39 1ap4 h GLU 59 N 0.00 0.29 0.04 1.69 4.81 0.45 -1.30 114.58 120.56 1ap4 h GLU 59 Ca 0.43 -0.11 -0.23 0.00 -0.13 0.00 0.00 59.36 59.33 1ap4 h GLU 59 Cb 1.84 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 31.18 1ap4 h GLU 59 CO -0.00 0.56 -1.06 0.52 -0.73 0.00 0.00 179.01 178.30 1ap4 h MET 60 N 0.26 0.11 -0.00 1.92 2.86 0.77 -3.18 114.93 117.67 1ap4 h MET 60 Ca 0.04 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1ap4 h MET 60 Cb 0.64 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.37 1ap4 h MET 60 CO 0.05 1.06 -0.12 -0.89 1.06 0.00 0.00 176.91 178.07 1ap4 n ILE 61 N -3.45 0.00 -0.25 -1.22 5.41 -0.84 -3.43 119.36 115.56 1ap4 n ILE 61 Ca -0.03 -0.03 0.05 0.00 1.00 0.00 0.00 62.75 63.74 1ap4 n ILE 61 Cb 0.95 -0.21 0.28 0.00 -0.71 0.00 0.00 39.64 39.94 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 -1.20 4.16 0.00 4.38 -0.08 -0.51 -3.32 116.55 119.97 1ap4 n ASP 62 Ca 0.12 -2.59 0.00 0.00 -1.51 0.00 0.00 54.79 50.81 1ap4 n ASP 62 Cb 0.29 -0.61 0.00 0.00 2.34 0.00 0.00 41.12 43.15 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 0.48 2.53 -0.00 -0.67 0.28 -1.22 -4.84 120.64 117.19 1ap4 n GLU 63 Ca 0.19 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.25 1ap4 n GLU 63 Cb 0.87 -0.65 -0.09 0.00 1.43 0.00 0.00 31.44 33.00 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 -0.72 0.00 -1.53 3.84 3.14 -1.25 -4.91 118.33 116.89 1ap4 n VAL 64 Ca 0.00 -0.26 -0.24 0.00 -2.96 0.00 0.00 64.34 60.88 1ap4 n VAL 64 Cb 0.08 0.49 -0.12 0.00 -1.06 0.00 0.00 33.84 33.23 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 -1.72 0.79 -0.01 6.55 2.03 -1.21 -4.68 116.55 118.30 1ap4 n ASP 65 Ca -0.01 -0.82 0.14 0.00 0.52 0.00 0.00 54.79 54.63 1ap4 n ASP 65 Cb 0.29 -1.24 0.67 0.00 -0.72 0.00 0.00 41.12 40.12 1ap4 n ASP 65 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1ap4 n GLU 66 N 7.89 0.25 0.00 -0.67 2.13 -1.26 -3.35 120.64 125.63 1ap4 n GLU 66 Ca 0.54 -0.02 0.00 0.00 0.66 0.00 0.00 57.16 58.34 1ap4 n GLU 66 Cb 0.32 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.53 1ap4 n GLU 66 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1ap4 n ASP 67 N -1.36 1.04 -4.06 4.31 5.68 -1.26 -4.99 116.55 115.91 1ap4 n ASP 67 Ca 0.11 -1.04 -0.34 0.00 -0.50 0.00 0.00 54.79 53.02 1ap4 n ASP 67 Cb 0.29 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.24 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 -0.02 -0.45 0.05 6.12 0.00 -1.21 -4.78 105.19 104.90 1ap4 n GLY 68 Ca 0.00 0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.50 0.61 0.00 1.61 3.41 -1.26 -4.91 113.62 110.58 1ap4 n SER 69 Ca 0.07 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1ap4 n SER 69 Cb 0.49 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 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 1.38 2.00 3.52 5.00 0.00 -1.26 -5.00 105.19 110.83 1ap4 n GLY 70 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.02 2.82 -0.26 2.61 -4.23 -1.26 -4.45 115.64 107.84 1ap4 s THR 71 Ca 0.00 -2.07 -0.05 0.00 -1.18 0.00 0.00 61.69 58.39 1ap4 s THR 71 Cb 0.00 -2.44 0.00 0.00 1.34 0.00 0.00 72.50 71.40 1ap4 s THR 71 CO 0.00 -0.28 0.02 -0.69 -0.54 0.00 0.00 174.62 173.13 1ap4 s VAL 72 N -2.13 3.67 0.66 2.29 1.01 -0.77 -4.97 120.40 120.16 1ap4 s VAL 72 Ca 0.27 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.63 1ap4 s VAL 72 Cb -0.07 -2.80 0.08 0.00 0.00 0.00 0.00 36.38 33.60 1ap4 s VAL 72 CO 0.15 0.24 0.92 -0.62 0.00 0.00 0.00 175.10 175.80 1ap4 s ASP 73 N 1.48 4.75 0.43 3.32 2.15 -1.26 -2.72 116.67 124.82 1ap4 s ASP 73 Ca 0.04 -0.05 0.19 0.00 0.43 0.00 0.00 52.55 53.15 1ap4 s ASP 73 Cb -0.16 -0.56 1.12 0.00 -0.30 0.00 0.00 42.92 43.02 1ap4 s ASP 73 CO -0.00 -1.57 1.86 0.15 -0.17 0.00 0.00 175.17 175.45 1ap4 h PHE 74 N -0.35 0.48 -0.02 -5.34 3.57 -1.97 1.66 116.94 114.97 1ap4 h PHE 74 Ca -0.40 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.09 1ap4 h PHE 74 Cb 1.29 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.88 1ap4 h PHE 74 CO 0.09 0.13 -0.08 -0.44 -2.23 0.00 0.00 178.31 175.78 1ap4 h ASP 75 N 0.36 0.11 0.15 0.41 3.32 -2.00 -2.87 116.42 115.90 1ap4 h ASP 75 Ca 0.46 -0.62 -0.21 0.00 0.02 0.00 0.00 57.03 56.68 1ap4 h ASP 75 Cb 1.20 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1ap4 h ASP 75 CO -0.16 0.71 -0.80 -0.33 -1.72 0.00 0.00 179.24 176.95 1ap4 h GLU 76 N -0.48 0.52 -0.94 3.56 5.08 -1.61 -2.80 114.58 117.91 1ap4 h GLU 76 Ca -0.00 -0.46 0.09 0.00 -1.00 0.00 0.00 59.36 58.00 1ap4 h GLU 76 Cb 0.70 0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.99 1ap4 h GLU 76 CO 0.02 1.09 0.61 0.35 -1.00 0.00 0.00 179.01 180.07 1ap4 h PHE 77 N 0.34 1.06 -0.02 4.33 3.57 0.24 -2.04 116.94 124.42 1ap4 h PHE 77 Ca -0.05 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.42 1ap4 h PHE 77 Cb 1.40 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.80 1ap4 h PHE 77 CO 0.06 0.49 -0.21 -0.07 -2.23 0.00 0.00 178.31 176.35 1ap4 h LEU 78 N 0.98 0.22 -0.11 0.59 3.38 -1.47 -3.23 115.31 115.68 1ap4 h LEU 78 Ca 0.44 -0.71 0.04 0.00 0.09 0.00 0.00 57.88 57.74 1ap4 h LEU 78 Cb 0.36 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 1ap4 h LEU 78 CO -0.19 0.90 -0.38 0.58 0.09 0.00 0.00 178.44 179.44 1ap4 h VAL 79 N -0.45 0.21 -0.81 1.22 2.07 -1.19 0.20 116.25 117.51 1ap4 h VAL 79 Ca -0.02 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.70 1ap4 h VAL 79 Cb 0.91 0.21 -0.13 0.00 -1.52 0.00 0.00 31.29 30.76 1ap4 h VAL 79 CO 0.04 0.00 0.15 0.24 0.02 0.00 0.00 177.57 178.03 1ap4 h MET 80 N -0.47 0.19 -0.49 1.57 2.86 -1.49 0.24 114.93 117.35 1ap4 h MET 80 Ca 0.08 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.66 1ap4 h MET 80 Cb 0.60 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 1ap4 h MET 80 CO -0.36 0.13 0.13 0.52 1.06 0.00 0.00 176.91 178.39 1ap4 h MET 81 N 0.20 0.77 -0.32 1.72 2.07 -1.22 -2.25 114.93 115.91 1ap4 h MET 81 Ca 0.47 -0.18 -0.04 0.00 -2.07 0.00 0.00 59.70 57.88 1ap4 h MET 81 Cb 0.89 -0.11 -0.02 0.00 -1.87 0.00 0.00 31.60 30.49 1ap4 h MET 81 CO -0.62 0.74 0.01 -0.24 1.07 0.00 0.00 176.91 177.87 1ap4 h VAL 82 N 0.66 1.18 0.00 -2.22 3.04 0.13 1.14 116.25 120.18 1ap4 h VAL 82 Ca 0.16 -0.71 -0.11 0.00 -1.01 0.00 0.00 66.70 65.03 1ap4 h VAL 82 Cb 0.31 0.93 -0.02 0.00 -2.01 0.00 0.00 31.29 30.50 1ap4 h VAL 82 CO -0.00 0.24 -0.50 0.03 -1.01 0.00 0.00 177.57 176.33 1ap4 h ARG 83 N 0.47 0.00 -0.02 4.17 3.08 -0.42 -3.00 114.38 118.65 1ap4 h ARG 83 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1ap4 h ARG 83 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 1ap4 h ARG 83 CO 0.01 0.50 -0.27 0.00 -1.07 0.00 0.00 179.97 179.13 1ap4 h MET 85 N 2.43 0.00 -5.85 0.00 2.86 0.15 -3.46 114.93 111.07 1ap4 h MET 85 Ca 0.00 0.00 -0.44 0.00 -2.06 0.00 0.00 59.70 57.20 1ap4 h MET 85 Cb 0.65 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.34 1ap4 h MET 85 CO 0.00 0.00 -0.70 1.63 1.06 0.00 0.00 176.91 178.90 1ap4 n LYS 86 N -3.94 -5.95 0.02 1.72 5.02 -1.26 -4.89 118.16 108.88 1ap4 n LYS 86 Ca -0.02 0.69 -0.07 0.00 -2.02 0.00 0.00 58.31 56.89 1ap4 n LYS 86 Cb 0.11 -5.62 -0.04 0.00 -0.02 0.00 0.00 35.03 29.46 1ap4 n LYS 86 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1ap4 h ASP 87 N -2.07 -0.71 -4.11 4.39 3.58 -1.88 -3.48 116.42 112.15 1ap4 h ASP 87 Ca -0.56 0.08 0.00 0.00 0.42 0.00 0.00 57.03 56.97 1ap4 h ASP 87 Cb 1.37 0.27 0.00 0.00 1.72 0.00 0.00 39.33 42.68 1ap4 h ASP 87 CO 0.61 -0.22 -0.99 -0.67 -2.88 0.00 0.00 179.24 175.10 1ap4 n ASP 88 N -3.76 -9.32 -0.73 2.28 -0.08 -1.26 -5.28 116.55 98.40 1ap4 n ASP 88 Ca -0.03 1.36 0.13 0.00 -1.51 0.00 0.00 54.79 54.73 1ap4 n ASP 88 Cb 0.17 -5.29 0.30 0.00 2.34 0.00 0.00 41.12 38.64 1ap4 n ASP 88 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12